A0A5K4F836_SCHMA Loading...

Steroid dehydrogenase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F836, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 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
1M40.1Very low74.1Confident246 Ų246125.8 Ų125.8100%1.21265%0.651SS**  0107.80-74.8-179.9171.700106.7S3M1-S3 PolarHBondContact O-N 3.35Å
2E49.6Very low75.3Confident191 Ų191118.7 Ų118.789%0.89362%0.62SS**  trans-82.9102.9179.9-157.3158-16000107.1K4E2-K4 PolarHBondContact O-N 3.05Å
3S55.9Low76.3Confident110 Ų110112.4 Ų112.477%0.76959%0.589SS**  trans-66.8105.418042.50000108.6M1 H5M1-S3 PolarHBondContact O-N 3.35Å; S3-H5 VanDerWaalsContact C-N 3.28Å; S3-H5 PolarHBondContact O-N 3.06Å
4K65.4Low77.2Confident153 Ų153115.9 Ų115.967%0.66560%0.601SS**  trans-69.687.2175.7-62-177.8-175.7177.50109E2 H6 T13E2-K4 PolarHBondContact O-N 3.05Å; K4-H6 PolarHBondContact O-N 3.31Å; K4-T13 HydrophobicContact CB-CG2 3.74Å; K4-T13 HydrophobicContact CD-CG2 3.98Å; K4-T13 PolarHBondContact O-OG1 3.21Å
5H79.2Confident78.1Confident181 Ų181113.5 Ų113.584%0.83859%0.586SS**  trans-69.1115.6178.5-158.958.2000109.3S3S3-H5 VanDerWaalsContact C-N 3.28Å; S3-H5 PolarHBondContact O-N 3.06Å
6H83.4Confident79Confident48 Ų48110 Ų11022%0.22257%0.565CS.*  trans-103.2154.1166.962.277.6000108.6K4 V10 T13 F16K4-H6 PolarHBondContact O-N 3.31Å; H6-V10 HydrophobicContact CB-CG2 3.62Å; H6-V10 PolarHBondContact CE1-O 2.92Å; H6-V10 WeakPolarHBondContact ND1-CG2 3.39Å; H6-V10 PolarHBondContact ND1-O 3.49Å; H6-T13 PolarHBondContact CD2-N 3.42Å; H6-F16 HydrophobicContact CB-CB 3.96Å; H6-F16 HydrophobicContact CB-CG 4.22Å
7P85.5Confident79.5Confident41 Ų41109.5 Ų109.527%0.26656%0.56SS.*  trans-58.9152.6177.724.8-34.1000111.3F9 V10 F16P7-F9 HydrophobicContact CB-CD1 3.64Å; P7-F9 HydrophobicContact CB-CE1 3.33Å; P7-F9 HydrophobicContact CB-CZ 4.03Å; P7-F9 HydrophobicContact CG-CD1 4.05Å; P7-F9 HydrophobicContact CG-CE1 3.41Å; P7-F9 VanDerWaalsContact CG-CE1 3.41Å; P7-F9 HydrophobicContact CG-CE2 4.31Å; P7-F9 HydrophobicContact CG-CZ 3.56Å; P7-F9 PolarHBondContact O-N 2.92Å; P7-F9 VanDerWaalsContact O-N 3.08Å; P7-V10 HydrophobicContact CG-CG2 4.13Å; P7-V10 WeakPolarHBondContact O-CG2 3.46Å; P7-V10 PolarHBondContact O-N 3.3Å; P7-F16 HydrophobicContact CG-CD2 3.9Å; P7-F16 HydrophobicContact CG-CE2 3.99Å
8S88.7Confident80.1Confident127 Ų127111.1 Ų111.189%0.88856%0.562SS**THydrogen-bonded Turntrans-65.4-14.1-172.8550000115.1
9F91.7Very high80.6Confident142 Ų142109.2 Ų109.262%0.62355%0.553SS**THydrogen-bonded Turntrans-85.1-8.6179.768.3-99.5000114.2P7 L19P7-F9 HydrophobicContact CB-CD1 3.64Å; P7-F9 HydrophobicContact CB-CE1 3.33Å; P7-F9 HydrophobicContact CB-CZ 4.03Å; P7-F9 HydrophobicContact CG-CD1 4.05Å; P7-F9 HydrophobicContact CG-CE1 3.41Å; P7-F9 VanDerWaalsContact CG-CE1 3.41Å; P7-F9 HydrophobicContact CG-CE2 4.31Å; P7-F9 HydrophobicContact CG-CZ 3.56Å; P7-F9 PolarHBondContact O-N 2.92Å; P7-F9 VanDerWaalsContact O-N 3.08Å; F9-L19 HydrophobicContact CE2-CD2 4.01Å
10V88Confident81Confident6 Ų6105.8 Ų105.84%0.03654%0.536CS..SBendtrans-105.6145.2170.6-61.60000109.6H6 P7 S12 E15 F16H6-V10 HydrophobicContact CB-CG2 3.62Å; H6-V10 PolarHBondContact CE1-O 2.92Å; H6-V10 WeakPolarHBondContact ND1-CG2 3.39Å; H6-V10 PolarHBondContact ND1-O 3.49Å; P7-V10 HydrophobicContact CG-CG2 4.13Å; P7-V10 WeakPolarHBondContact O-CG2 3.46Å; P7-V10 PolarHBondContact O-N 3.3Å; V10-S12 VanDerWaalsContact C-N 3.35Å; V10-E15 HydrophobicContact CB-CB 4.38Å; V10-E15 HydrophobicContact CB-CG 4.31Å; V10-E15 HydrophobicContact CG1-CG 4.43Å; V10-F16 HydrophobicContact CG2-CB 3.77Å; V10-F16 HydrophobicContact CG2-CD2 4.48Å
11N87.1Confident81.2Confident139 Ų139103.4 Ų103.474%0.74353%0.529SS*.SBendtrans-84.7-14.2-172.1-54-64.4000112.6E15N11-E15 VanDerWaalsContact CB-OE2 3.26Å; N11-E15 WeakPolarHBondContact CB-OE2 3.26Å; N11-E15 PolarHBondContact N-OE2 2.92Å; N11-E15 PolarHBondContact ND2-OE2 2.81Å
12S89.1Confident83.4Confident40 Ų4097.8 Ų97.828%0.2850%0.5SS..SBendtrans-156.6160.6-179.565.10000112V10 E14 E15 F16V10-S12 VanDerWaalsContact C-N 3.35Å; S12-E14 PolarHBondContact O-N 3.16Å; S12-E15 PolarHBondContact O-N 3.08Å; S12-E15 WeakPolarHBondContact OG-CB 3.48Å; S12-E15 PolarHBondContact OG-N 3.28Å; S12-F16 PolarHBondContact O-N 3.34Å; S12-F16 VanDerWaalsContact O-N 3.16Å
13T88.7Confident85.2Confident37 Ų3790.4 Ų90.423%0.22747%0.469CS..Hα-helixtrans-61.7-31.7171.2-42.30000111.7K4 H6 F16 H17K4-T13 HydrophobicContact CB-CG2 3.74Å; K4-T13 HydrophobicContact CD-CG2 3.98Å; K4-T13 PolarHBondContact O-OG1 3.21Å; H6-T13 PolarHBondContact CD2-N 3.42Å; T13-F16 WeakPolarHBondContact O-CB 3.35Å; T13-F16 PolarHBondContact O-N 3.03Å; T13-H17 PolarHBondContact O-CD2 3.08Å; T13-H17 PolarHBondContact O-N 3.41Å
14E88.9Confident86.5Confident162 Ų16290.7 Ų90.776%0.75747%0.468SS*.Hα-helixtrans-66.9-42.6177.6-75.4162.6179.500111.8S12 F16 H17 K18S12-E14 PolarHBondContact O-N 3.16Å; E14-F16 VanDerWaalsContact C-N 3.33Å; E14-F16 PolarHBondContact O-N 3.24Å; E14-H17 PolarHBondContact O-N 2.91Å; E14-K18 WeakPolarHBondContact O-CB 3.2Å; E14-K18 PolarHBondContact O-N 3.05Å
15E90.8Very high87.6Confident79 Ų7989.1 Ų89.137%0.36946%0.462SS..Hα-helixtrans-62.6-40.8174.5-172.1176.9-17000111.5V10 N11 S12 K18 L19V10-E15 HydrophobicContact CB-CB 4.38Å; V10-E15 HydrophobicContact CB-CG 4.31Å; V10-E15 HydrophobicContact CG1-CG 4.43Å; N11-E15 VanDerWaalsContact CB-OE2 3.26Å; N11-E15 WeakPolarHBondContact CB-OE2 3.26Å; N11-E15 PolarHBondContact N-OE2 2.92Å; N11-E15 PolarHBondContact ND2-OE2 2.81Å; S12-E15 PolarHBondContact O-N 3.08Å; S12-E15 WeakPolarHBondContact OG-CB 3.48Å; S12-E15 PolarHBondContact OG-N 3.28Å; E15-K18 WeakPolarHBondContact O-CB 3.49Å; E15-K18 PolarHBondContact O-N 2.84Å; E15-L19 PolarHBondContact O-N 2.93Å
16F92.7Very high87.7Confident58 Ų5881.7 Ų81.725%0.25443%0.428SS..Hα-helixtrans-60.3-46.1173.8179.7-115000112.7H6 P7 V10 S12 T13 E14 K18 L19 L20H6-F16 HydrophobicContact CB-CB 3.96Å; H6-F16 HydrophobicContact CB-CG 4.22Å; P7-F16 HydrophobicContact CG-CD2 3.9Å; P7-F16 HydrophobicContact CG-CE2 3.99Å; V10-F16 HydrophobicContact CG2-CB 3.77Å; V10-F16 HydrophobicContact CG2-CD2 4.48Å; S12-F16 PolarHBondContact O-N 3.34Å; S12-F16 VanDerWaalsContact O-N 3.16Å; T13-F16 WeakPolarHBondContact O-CB 3.35Å; T13-F16 PolarHBondContact O-N 3.03Å; E14-F16 VanDerWaalsContact C-N 3.33Å; E14-F16 PolarHBondContact O-N 3.24Å; F16-K18 VanDerWaalsContact C-N 3.33Å; F16-K18 PolarHBondContact O-N 3.28Å; F16-L19 PolarHBondContact O-N 3.41Å; F16-L20 HydrophobicContact CD1-CD1 3.87Å; F16-L20 HydrophobicContact CE1-CD1 3.35Å; F16-L20 HydrophobicContact CE1-CG 4.16Å; F16-L20 HydrophobicContact CE2-CD1 4.28Å; F16-L20 HydrophobicContact CE2-CG 4.22Å; F16-L20 HydrophobicContact CZ-CD1 3.59Å; F16-L20 HydrophobicContact CZ-CD2 4.29Å; F16-L20 HydrophobicContact CZ-CG 3.98Å; F16-L20 PolarHBondContact O-N 3.07Å
17H87.3Confident87.2Confident102 Ų10282.7 Ų82.747%0.47244%0.44SS..Hα-helixtrans-65.3-36.8176.8-75.3-58.2000112.5T13 E14 L20 S21T13-H17 PolarHBondContact O-CD2 3.08Å; T13-H17 PolarHBondContact O-N 3.41Å; E14-H17 PolarHBondContact O-N 2.91Å; H17-L20 PolarHBondContact O-N 3.29Å; H17-S21 PolarHBondContact O-N 3.29Å
18K88.9Confident86.7Confident138 Ų13885.8 Ų85.860%0.645%0.453SS*.Hα-helixtrans-61.6-45.6173.5-170175.6179.9-176.70110.8E14 E15 F16 S21 Q22E14-K18 WeakPolarHBondContact O-CB 3.2Å; E14-K18 PolarHBondContact O-N 3.05Å; E15-K18 WeakPolarHBondContact O-CB 3.49Å; E15-K18 PolarHBondContact O-N 2.84Å; F16-K18 VanDerWaalsContact C-N 3.33Å; F16-K18 PolarHBondContact O-N 3.28Å; K18-S21 PolarHBondContact O-N 3.25Å; K18-S21 PolarHBondContact O-OG 2.89Å; K18-Q22 WeakPolarHBondContact O-CG 3.08Å; K18-Q22 PolarHBondContact O-N 3.48Å
19L89.7Confident85.9Confident74 Ų7483.1 Ų83.139%0.38743%0.428SS..Hα-helixtrans-62.1-45.6175.6-174.463.8000112F9 E15 F16 S21 Q22 C23F9-L19 HydrophobicContact CE2-CD2 4.01Å; E15-L19 PolarHBondContact O-N 2.93Å; F16-L19 PolarHBondContact O-N 3.41Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.06Å; L19-Q22 WeakPolarHBondContact O-CB 3.12Å; L19-Q22 PolarHBondContact O-N 3.46Å; L19-Q22 VanDerWaalsContact O-N 3.07Å; L19-C23 PolarHBondContact O-N 2.68Å; L19-C23 PolarHBondContact O-SG 3.21Å
20L88.6Confident84.9Confident41 Ų4180.8 Ų80.822%0.21542%0.419CS..Hα-helixtrans-57.2-43.4174.7-79.3174000111.5F16 H17 Q22 C23 M26F16-L20 HydrophobicContact CD1-CD1 3.87Å; F16-L20 HydrophobicContact CE1-CD1 3.35Å; F16-L20 HydrophobicContact CE1-CG 4.16Å; F16-L20 HydrophobicContact CE2-CD1 4.28Å; F16-L20 HydrophobicContact CE2-CG 4.22Å; F16-L20 HydrophobicContact CZ-CD1 3.59Å; F16-L20 HydrophobicContact CZ-CD2 4.29Å; F16-L20 HydrophobicContact CZ-CG 3.98Å; F16-L20 PolarHBondContact O-N 3.07Å; H17-L20 PolarHBondContact O-N 3.29Å; L20-Q22 PolarHBondContact O-N 3.47Å; L20-C23 WeakPolarHBondContact O-CB 3.41Å; L20-C23 PolarHBondContact O-N 3.36Å; L20-M26 HydrophobicContact CB-CE 4.42Å; L20-M26 HydrophobicContact CB-CG 4.15Å; L20-M26 HydrophobicContact CD2-CG 3.99Å; L20-M26 HydrophobicContact CD2-SD 4.01Å; L20-M26 WeakPolarHBondContact O-CB 3.42Å; L20-M26 WeakPolarHBondContact O-CG 3.43Å
21S85.2Confident83.7Confident57 Ų5783.6 Ų83.640%0.39944%0.439SS..Hα-helixtrans-64.8-20.417973.10000114.1H17 K18 L19H17-S21 PolarHBondContact O-N 3.29Å; K18-S21 PolarHBondContact O-N 3.25Å; K18-S21 PolarHBondContact O-OG 2.89Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.06Å
22Q87.9Confident82.5Confident128 Ų12879.4 Ų79.460%0.59842%0.421SS*.Hα-helixtrans-82.1-16.5175.4-67.5169.1-22.700112.7K18 L19 L20K18-Q22 WeakPolarHBondContact O-CG 3.08Å; K18-Q22 PolarHBondContact O-N 3.48Å; L19-Q22 WeakPolarHBondContact O-CB 3.12Å; L19-Q22 PolarHBondContact O-N 3.46Å; L19-Q22 VanDerWaalsContact O-N 3.07Å; L20-Q22 PolarHBondContact O-N 3.47Å
23C87.1Confident81Confident36 Ų3682.6 Ų82.624%0.24343%0.431CS..SBendtrans-76.7125.4178.7-60.20000111L19 L20 F25 M26L19-C23 PolarHBondContact O-N 2.68Å; L19-C23 PolarHBondContact O-SG 3.21Å; L20-C23 WeakPolarHBondContact O-CB 3.41Å; L20-C23 PolarHBondContact O-N 3.36Å; C23-F25 HydrophobicContact CB-CD1 3.65Å; C23-F25 HydrophobicContact CB-CE1 3.38Å; C23-F25 HydrophobicContact CB-CZ 4.15Å; C23-F25 PolarHBondContact O-N 3.42Å; C23-F25 VanDerWaalsContact O-N 3.07Å; C23-M26 HydrophobicContact CB-CB 4.39Å; C23-M26 HydrophobicContact CB-CG 4.1Å; C23-M26 WeakPolarHBondContact O-CB 3.44Å; C23-M26 PolarHBondContact O-N 3.42Å
24P83.6Confident79.3Confident115 Ų11587.5 Ų87.575%0.74745%0.454SS*.THydrogen-bonded Turntrans-54.8-33.4-178.2-28.835000114.8M26P24-M26 VanDerWaalsContact C-N 3.34Å; P24-M26 PolarHBondContact O-N 3.11Å
25F87.1Confident77.5Confident120 Ų12082.2 Ų82.253%0.52643%0.432SS..THydrogen-bonded Turntrans-71.2-26.7179.877.3-92.5000113.2C23 S27 I28 I29C23-F25 HydrophobicContact CB-CD1 3.65Å; C23-F25 HydrophobicContact CB-CE1 3.38Å; C23-F25 HydrophobicContact CB-CZ 4.15Å; C23-F25 PolarHBondContact O-N 3.42Å; C23-F25 VanDerWaalsContact O-N 3.07Å; F25-S27 VanDerWaalsContact C-N 3.29Å; F25-S27 PolarHBondContact O-N 3.1Å; F25-I28 PolarHBondContact O-N 3.14Å; F25-I29 HydrophobicContact CD2-CD1 4.18Å; F25-I29 HydrophobicContact CE2-CD1 4.25Å
26M81.9Confident75.6Confident26 Ų2684.1 Ų84.113%0.12844%0.438CS..Hα-helixtrans-70.6-25.8-177.3-80.5-59.5-56.800112.7L20 C23 P24 I28 I29 Q30L20-M26 HydrophobicContact CB-CE 4.42Å; L20-M26 HydrophobicContact CB-CG 4.15Å; L20-M26 HydrophobicContact CD2-CG 3.99Å; L20-M26 HydrophobicContact CD2-SD 4.01Å; L20-M26 WeakPolarHBondContact O-CB 3.42Å; L20-M26 WeakPolarHBondContact O-CG 3.43Å; C23-M26 HydrophobicContact CB-CB 4.39Å; C23-M26 HydrophobicContact CB-CG 4.1Å; C23-M26 WeakPolarHBondContact O-CB 3.44Å; C23-M26 PolarHBondContact O-N 3.42Å; P24-M26 VanDerWaalsContact C-N 3.34Å; P24-M26 PolarHBondContact O-N 3.11Å; M26-I28 PolarHBondContact O-N 3.35Å; M26-I29 HydrophobicContact CE-CB 4.19Å; M26-I29 HydrophobicContact CE-CG2 4.21Å; M26-I29 PolarHBondContact O-N 3.2Å; M26-I29 HydrophobicContact SD-CB 4.36Å; M26-I29 HydrophobicContact SD-CD1 3.75Å; M26-Q30 WeakPolarHBondContact O-CG 3.48Å; M26-Q30 PolarHBondContact O-N 3.46Å
27S72.5Confident73.5Confident68 Ų6891 Ų9148%0.47647%0.468SS..Hα-helixtrans-55.3-35.5173.9-57.60000112.4F25 S31F25-S27 VanDerWaalsContact C-N 3.29Å; F25-S27 PolarHBondContact O-N 3.1Å; S27-S31 PolarHBondContact O-N 3.22Å; S27-S31 PolarHBondContact O-OG 2.67Å
28I74.3Confident71.7Confident106 Ų10695.6 Ų95.654%0.54449%0.487SS..Hα-helixtrans-70.2-40.4177.4-57.6173000110.6F25 M26 S31 S32F25-I28 PolarHBondContact O-N 3.14Å; M26-I28 PolarHBondContact O-N 3.35Å; I28-S31 WeakPolarHBondContact CA-OG 3.5Å; I28-S31 PolarHBondContact O-OG 3.07Å; I28-S31 VanDerWaalsContact O-OG 3.07Å; I28-S32 PolarHBondContact O-N 3.15Å
29I73.6Confident69.5Low72 Ų7294.7 Ų94.737%0.36949%0.487SS..Hα-helixtrans-70.6-45.1-179.6-62.8176.2000110.3F25 M26 S31 S32 E33F25-I29 HydrophobicContact CD2-CD1 4.18Å; F25-I29 HydrophobicContact CE2-CD1 4.25Å; M26-I29 HydrophobicContact CE-CB 4.19Å; M26-I29 HydrophobicContact CE-CG2 4.21Å; M26-I29 PolarHBondContact O-N 3.2Å; M26-I29 HydrophobicContact SD-CB 4.36Å; M26-I29 HydrophobicContact SD-CD1 3.75Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 3.07Å; I29-S32 WeakPolarHBondContact O-CB 3.49Å; I29-S32 PolarHBondContact O-N 3.37Å; I29-S32 PolarHBondContact O-OG 2.78Å; I29-E33 HydrophobicContact CG2-CG 4.38Å; I29-E33 WeakPolarHBondContact O-CG 3.45Å; I29-E33 PolarHBondContact O-N 2.97Å; I29-E33 VanDerWaalsContact O-N 3.14Å
30Q69.2Low67Low92 Ų9298.2 Ų98.243%0.4351%0.507SS..Hα-helixtrans-61.1-37.9179.3-71.5179.1-8.200112.3M26 S32 E33M26-Q30 WeakPolarHBondContact O-CG 3.48Å; M26-Q30 PolarHBondContact O-N 3.46Å; Q30-S32 VanDerWaalsContact C-N 3.28Å; Q30-S32 PolarHBondContact O-N 3.39Å; Q30-E33 PolarHBondContact O-N 3.39Å
31S63.4Low64.6Low66 Ų66105 Ų10546%0.46253%0.534SS..Hα-helixtrans-69.6-23.8175.439.50000113.1S27 I28 I29S27-S31 PolarHBondContact O-N 3.22Å; S27-S31 PolarHBondContact O-OG 2.67Å; I28-S31 WeakPolarHBondContact CA-OG 3.5Å; I28-S31 PolarHBondContact O-OG 3.07Å; I28-S31 VanDerWaalsContact O-OG 3.07Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 3.07Å
32S61.8Low62.3Low50 Ų50110.3 Ų110.335%0.3555%0.55SS.*Hα-helixtrans-79.3-33173.880.70000113.9I28 I29 Q30 I34 N35I28-S32 PolarHBondContact O-N 3.15Å; I29-S32 WeakPolarHBondContact O-CB 3.49Å; I29-S32 PolarHBondContact O-N 3.37Å; I29-S32 PolarHBondContact O-OG 2.78Å; Q30-S32 VanDerWaalsContact C-N 3.28Å; Q30-S32 PolarHBondContact O-N 3.39Å; S32-I34 PolarHBondContact O-N 3.4Å; S32-N35 PolarHBondContact O-N 2.89Å
33E57.3Low59.9Low108 Ų108115 Ų11551%0.50556%0.564SS.*Hα-helixtrans-68.7-33.5-174.7-66.8-108121.300112.8I29 Q30 N35 K36I29-E33 HydrophobicContact CG2-CG 4.38Å; I29-E33 WeakPolarHBondContact O-CG 3.45Å; I29-E33 PolarHBondContact O-N 2.97Å; I29-E33 VanDerWaalsContact O-N 3.14Å; Q30-E33 PolarHBondContact O-N 3.39Å; E33-N35 PolarHBondContact O-N 3.03Å; E33-N35 VanDerWaalsContact O-N 3.11Å; E33-K36 PolarHBondContact O-N 3.22Å; E33-K36 VanDerWaalsContact O-N 3.1Å; E33-K36 IonicContact OE1-NZ 2.85Å; E33-K36 PolarHBondContact OE1-NZ 3.3Å
34I53.3Low57.3Low139 Ų139122.4 Ų122.471%0.71359%0.592SS**Hα-helixtrans-57.8-27.3175.8-62.9170000111S32S32-I34 PolarHBondContact O-N 3.4Å
35N51Low55.1Low52 Ų52122.8 Ų122.828%0.27859%0.593SS.*Hα-helixtrans-90.4-16.7-178.9-66.3-42.3000114.3S32 E33 K37 K38 I39S32-N35 PolarHBondContact O-N 2.89Å; E33-N35 PolarHBondContact O-N 3.03Å; E33-N35 VanDerWaalsContact O-N 3.11Å; N35-K37 VanDerWaalsContact C-N 3.34Å; N35-K37 PolarHBondContact O-N 3.49Å; N35-K38 PolarHBondContact O-N 3.23Å; N35-I39 HydrophobicContact CB-CD1 4.45Å; N35-I39 WeakPolarHBondContact O-CD1 3.35Å; N35-I39 WeakPolarHBondContact O-CG1 3.5Å
36K50.7Low52.7Low118 Ų118125.9 Ų125.951%0.51361%0.606SS.*Hα-helixtrans-70.2-26.5-175.7-66.6179.7-169.71670113.4E33 K38 I39E33-K36 PolarHBondContact O-N 3.22Å; E33-K36 VanDerWaalsContact O-N 3.1Å; E33-K36 IonicContact OE1-NZ 2.85Å; E33-K36 PolarHBondContact OE1-NZ 3.3Å; K36-K38 PolarHBondContact O-N 2.69Å; K36-K38 VanDerWaalsContact O-N 3.15Å; K36-I39 PolarHBondContact O-N 3.36Å
37K49.7Very low50.3Low202 Ų202132.9 Ų132.988%0.87864%0.643SS**THydrogen-bonded Turntrans-68.7-8.9177.7-72.2-175.3179.41770114.6N35N35-K37 VanDerWaalsContact C-N 3.34Å; N35-K37 PolarHBondContact O-N 3.49Å
38K48Very low48.7Very low200 Ų200138.1 Ų138.187%0.8766%0.657SS**THydrogen-bonded Turntrans-111.5-7.7177.1-84.6-179.6175.2176.90114.9N35 K36 N40N35-K38 PolarHBondContact O-N 3.23Å; K36-K38 PolarHBondContact O-N 2.69Å; K36-K38 VanDerWaalsContact O-N 3.15Å; K38-N40 PolarHBondContact O-N 3.01Å
39I43.4Very low46.8Very low118 Ų118140.2 Ų140.261%0.60567%0.669SS**  trans-104.662.2-173.3-52.1166.5000109.6N35 K36N35-I39 HydrophobicContact CB-CD1 4.45Å; N35-I39 WeakPolarHBondContact O-CD1 3.35Å; N35-I39 WeakPolarHBondContact O-CG1 3.5Å; K36-I39 PolarHBondContact O-N 3.36Å
40N36.8Very low45Very low148 Ų148143.3 Ų143.379%0.79169%0.692SS**  trans-117.569.3164.3-83.4-21.2000108K38K38-N40 PolarHBondContact O-N 3.01Å
41K38.8Very low43.1Very low184 Ų184145.7 Ų145.780%0.871%0.713SS**SBendtrans173.1120.8161-98.1151.2-172176.30109.8
42K37.8Very low41.8Very low168 Ų168149.9 Ų149.973%0.7373%0.729SS**  trans73.1125.5169.8-54.3168.1176.2176.20110.8
43Y35.7Very low40.4Very low226 Ų226154.6 Ų154.689%0.88675%0.745SS**  -149.113056.8-64.3-86.4000111.6
44K34.4Very low39.5Very low192 Ų192156.1 Ų156.184%0.83576%0.757SS**  trans-93.2146.7160.7-146.1176.2-172.8179.20105.6
45T36.3Very low38.9Very low123 Ų123156.1 Ų156.176%0.75575%0.754SS**  trans93.6115.9159.569.40000121.1
46K37.3Very low38Very low186 Ų186161.4 Ų161.481%0.80978%0.777SS**  trans88.4100.3133.8-70.5-177.3-177.8-168.10120.4
47L31.6Very low37.1Very low172 Ų172163.8 Ų163.890%0.90179%0.794SS**  trans-60.8132.7150.8-167.371.3000110.2
48K38.7Very low36.2Very low179 Ų179161.4 Ų161.478%0.77879%0.79SS**  trans-147111.2164-84.9-170.3175.4-173.30109.6
49D33.2Very low35.5Very low150 Ų150157.6 Ų157.680%0.80278%0.779SS**  trans6.8124.8150.5-43.6-37.7000118.8
50T37.6Very low34.9Very low137 Ų137158.8 Ų158.884%0.8478%0.782SS**  trans-135.3105.2153490000109.2
51T28.8Very low35Very low142 Ų142158.9 Ų158.987%0.87178%0.783SS**  trans-57132.4158.929.80000110.1
52L36.1Very low34.7Very low153 Ų153157.1 Ų157.180%0.80178%0.782SS**  trans-131.998.2165.4-153.974.2000110
53H32.7Very low34.4Very low149 Ų149157.8 Ų157.869%0.6979%0.788SS**  trans-52.6131.1157.8-15165.3000108.7H55H53-H55 AromaticContact CD2-CD2 3.94Å; H53-H55 AromaticContact CD2-NE2 3.43Å; H53-H55 PolarHBondContact CD2-NE2 3.32Å; H53-H55 AromaticContact NE2-CE1 3.78Å; H53-H55 AromaticContact NE2-NE2 3.35Å; H53-H55 PolarHBondContact NE2-NE2 2.94Å
54N38.2Very low34.1Very low140 Ų140152.3 Ų152.375%0.74978%0.778SS**  trans-152.9124.3158-93.3-31.9000112.6
55H39.4Very low33.9Very low139 Ų139151.5 Ų151.564%0.64478%0.782SS**  trans-70.6162.6179-68.5-82.8000113.1H53H53-H55 AromaticContact CD2-CD2 3.94Å; H53-H55 AromaticContact CD2-NE2 3.43Å; H53-H55 PolarHBondContact CD2-NE2 3.32Å; H53-H55 AromaticContact NE2-CE1 3.78Å; H53-H55 AromaticContact NE2-NE2 3.35Å; H53-H55 PolarHBondContact NE2-NE2 2.94Å
56Q32.5Very low34Very low163 Ų163151.8 Ų151.876%0.76278%0.779SS**  trans-20.9128.5151.7-9189.3-11.800114
57L32.9Very low33.7Very low169 Ų169151.5 Ų151.589%0.88578%0.78SS**  173.2133.5105.9-102.7131.3000110.8
58L29.2Very low34.1Very low152 Ų152148.4 Ų148.480%0.79677%0.773SS**  trans-60.4158.3167.1-82.7133.8000112.1
59N34.4Very low33.9Very low119 Ų119148.5 Ų148.564%0.63677%0.774SS**  trans97.8123.3148.5-78.613.9000120.7
60E31.4Very low34.1Very low143 Ų143148.7 Ų148.767%0.66878%0.775SS**  trans76.198.7133.5-67.6168.6-14800117.6
61N38.5Very low34.2Very low150 Ų150151 Ų15180%0.80277%0.773SS**  160.4132.1102.6-77.3-45.9000112.1
62N31.4Very low35Very low148 Ų148149.8 Ų149.879%0.79177%0.77SS**  trans-71170167.7-67.8-54.4000110.9
63E31.5Very low35.1Very low181 Ų181149.5 Ų149.585%0.84677%0.77SS**  trans77.2131.5162.8-65-178.518000114.7
64T30.4Very low35.8Very low111 Ų111151.5 Ų151.568%0.68178%0.776SS**  cis-167.7154.320.532.10000106.9
65L31Very low36.2Very low175 Ų175154 Ų15492%0.91678%0.781SS**  trans-156.7102.7136.7-157.859.4000112.1
66N37.1Very low36.1Very low129 Ų129156.2 Ų156.269%0.6979%0.791SS**  trans-74.7139.3163.9-79.8-48.8000111.2
67Q30.8Very low36.6Very low180 Ų180157.8 Ų157.884%0.84180%0.798SS**  trans17.8123.6139-54177.325.100120.6
68S41.2Very low37.2Very low107 Ų107156.8 Ų156.875%0.74879%0.789SS**  -175.7107.9128.4-171.40000109.3
69K33.3Very low38Very low182 Ų182154.7 Ų154.779%0.79178%0.778SS**  40.8114106.4-64.1177.9-176.6170.50114.8
70D38.3Very low38.5Very low154 Ų154155.5 Ų155.582%0.82478%0.781SS**  -168.6158.9106.4-105.1-29.3000114.2
71K40Very low39.4Very low186 Ų186154.6 Ų154.681%0.80978%0.779SS**  trans-73.6152.8-159.4-59.1167.8176.7179.60115.1
72S45.3Very low39.9Very low116 Ų116153.7 Ų153.781%0.81177%0.768SS**  -179.5137.9116.948.70000112.4
73D37Very low40.4Very low147 Ų147150.4 Ų150.479%0.78675%0.751SS**  trans-62.3145.3-176.1-50.5-67.6000113.3
74K48.2Very low41.3Very low191 Ų191145.6 Ų145.683%0.8373%0.73SS**  161130.1126.1-86.3160.4-171.4178.90111.5
75K47Very low42.3Very low192 Ų192147.6 Ų147.684%0.83573%0.729SS**  trans98.197.7157.8-62.1172.1-176.3-172.10116.5
76E37Very low43.1Very low185 Ų185143.2 Ų143.286%0.86471%0.706SS**  trans-54.8154.8165.8-65.6157.9155.200112.3
77E43.2Very low43.5Very low196 Ų196140.9 Ų140.992%0.91670%0.696SS**SBendtrans99.80.8163.9-56.4-166.7158.700121.7
78E45.9Very low44.4Very low149 Ų149136.2 Ų136.270%0.69668%0.677SS**SBendtrans-119.610.3175.6-138.6-170.1-166.400116.5
79I46.1Very low44.8Very low108 Ų108137.9 Ų137.955%0.55467%0.67SS**  trans-86.8-28.3-166.3-62.3173.9000113.3I81 K82I79-I81 VanDerWaalsContact C-N 3.35Å; I79-I81 PolarHBondContact O-N 3.18Å; I79-K82 PolarHBondContact O-N 3.42Å
80I44.3Very low45.6Very low135 Ų135134.3 Ų134.369%0.69266%0.657SS**Hα-helixtrans-71.2-23.9-168.2-58.2173.2000113.6I84I80-I84 HydrophobicContact CG2-CD1 4.49Å; I80-I84 WeakPolarHBondContact O-CG1 3.46Å
81I50.4Low46.2Very low125 Ų125130.1 Ų130.164%0.64164%0.637SS**Hα-helixtrans-82.2-27.4-179.7-61.1177000112.2I79I79-I81 VanDerWaalsContact C-N 3.35Å; I79-I81 PolarHBondContact O-N 3.18Å
82K48.3Very low47.1Very low130 Ų130124.9 Ų124.957%0.56562%0.621SS**Hα-helixtrans-73.6-39.1179.1-71.1174.8-175.8165.10110.6I79 I84 K85 I86I79-K82 PolarHBondContact O-N 3.42Å; K82-I84 PolarHBondContact O-N 3.11Å; K82-K85 PolarHBondContact O-N 3.29Å; K82-I86 WeakPolarHBondContact O-CD1 3.44Å; K82-I86 VanDerWaalsContact O-CG1 3.25Å; K82-I86 WeakPolarHBondContact O-CG1 3.37Å; K82-I86 PolarHBondContact O-N 3.43Å; K82-I86 VanDerWaalsContact O-N 3.11Å
83D42.5Very low47.7Very low80 Ų80122.7 Ų122.743%0.42860%0.6SS.*Hα-helixtrans-66-37.5-178.9-62.3-23.5000112.8K85 I86 V87D83-K85 VanDerWaalsContact C-N 3.35Å; D83-K85 PolarHBondContact O-N 3.3Å; D83-I86 PolarHBondContact O-N 3.16Å; D83-V87 WeakPolarHBondContact O-CG2 3.25Å; D83-V87 PolarHBondContact O-N 3.13Å
84I51.1Low49Very low79 Ų79120.8 Ų120.841%0.40559%0.59SS.*Hα-helixtrans-66.2-37178.4-63.7170.3000111.7I80 K82 I86 N88I80-I84 HydrophobicContact CG2-CD1 4.49Å; I80-I84 WeakPolarHBondContact O-CG1 3.46Å; K82-I84 PolarHBondContact O-N 3.11Å; I84-I86 VanDerWaalsContact C-N 3.34Å; I84-N88 PolarHBondContact O-N 3.24Å
85K49.8Very low50Low154 Ų154114.7 Ų114.767%0.6757%0.568SS**Hα-helixtrans-69.1-35.8174.7-71.5-178.3-179.8179.20111.7K82 D83 K89K82-K85 PolarHBondContact O-N 3.29Å; D83-K85 VanDerWaalsContact C-N 3.35Å; D83-K85 PolarHBondContact O-N 3.3Å; K85-K89 VanDerWaalsContact O-CB 3.31Å; K85-K89 WeakPolarHBondContact O-CB 3.26Å; K85-K89 PolarHBondContact O-N 3.41Å; K85-K89 VanDerWaalsContact O-N 3.09Å
86I49.3Very low51.1Low82 Ų82108.6 Ų108.642%0.42155%0.547SS..Hα-helixtrans-67.6-43.3178.7-68.4164.9000110.5K82 D83 I84 K89 Q90K82-I86 WeakPolarHBondContact O-CD1 3.44Å; K82-I86 VanDerWaalsContact O-CG1 3.25Å; K82-I86 WeakPolarHBondContact O-CG1 3.37Å; K82-I86 PolarHBondContact O-N 3.43Å; K82-I86 VanDerWaalsContact O-N 3.11Å; D83-I86 PolarHBondContact O-N 3.16Å; I84-I86 VanDerWaalsContact C-N 3.34Å; I86-K89 PolarHBondContact O-N 3.38Å; I86-Q90 HydrophobicContact CG2-CG 4.38Å; I86-Q90 WeakPolarHBondContact O-CB 3.39Å; I86-Q90 VanDerWaalsContact O-CG 3.26Å; I86-Q90 WeakPolarHBondContact O-CG 3.23Å; I86-Q90 PolarHBondContact O-N 2.96Å
87V45.3Very low52.8Low80 Ų80104.3 Ų104.349%0.48553%0.53SS..Hα-helixtrans-66-44.4179.6174.40000112.1D83 K89 Q90 T91D83-V87 WeakPolarHBondContact O-CG2 3.25Å; D83-V87 PolarHBondContact O-N 3.13Å; V87-K89 PolarHBondContact O-N 2.96Å; V87-Q90 PolarHBondContact O-N 3.29Å; V87-T91 WeakPolarHBondContact O-CG2 3.31Å; V87-T91 PolarHBondContact O-N 3.48Å; V87-T91 PolarHBondContact O-OG1 3.09Å
88N49.1Very low54.2Low82 Ų82102.1 Ų102.144%0.43952%0.515SS..Hα-helixtrans-66.4-37.1177.2-75.1-19000112.4I84 T91 T92I84-N88 PolarHBondContact O-N 3.24Å; N88-T91 PolarHBondContact O-OG1 2.78Å; N88-T91 VanDerWaalsContact O-OG1 3.13Å; N88-T92 VanDerWaalsContact O-CG2 3.23Å; N88-T92 WeakPolarHBondContact O-CG2 3.45Å; N88-T92 PolarHBondContact O-N 2.96Å; N88-T92 VanDerWaalsContact O-N 3.09Å; N88-T92 PolarHBondContact O-OG1 3.24Å; N88-T92 VanDerWaalsContact O-OG1 3.05Å
89K50Low55.6Low142 Ų14299.6 Ų99.662%0.61751%0.506SS*.Hα-helixtrans-68.3-37.4175.2-169174.4-179.4-178.70111.5K85 I86 V87 T92 N93K85-K89 VanDerWaalsContact O-CB 3.31Å; K85-K89 WeakPolarHBondContact O-CB 3.26Å; K85-K89 PolarHBondContact O-N 3.41Å; K85-K89 VanDerWaalsContact O-N 3.09Å; I86-K89 PolarHBondContact O-N 3.38Å; V87-K89 PolarHBondContact O-N 2.96Å; K89-T92 WeakPolarHBondContact CA-OG1 3.49Å; K89-T92 PolarHBondContact O-OG1 2.88Å; K89-N93 VanDerWaalsContact O-CB 3.23Å; K89-N93 WeakPolarHBondContact O-CB 3.4Å; K89-N93 PolarHBondContact O-N 2.89Å; K89-N93 PolarHBondContact O-ND2 3.19Å; K89-N93 PolarHBondContact O-OD1 3.2Å
90Q50.1Low57Low108 Ų10898.7 Ų98.751%0.50550%0.502SS..Hα-helixtrans-68.6-42.4177.1-76176.315.300112.5I86 V87 N93 N94I86-Q90 HydrophobicContact CG2-CG 4.38Å; I86-Q90 WeakPolarHBondContact O-CB 3.39Å; I86-Q90 VanDerWaalsContact O-CG 3.26Å; I86-Q90 WeakPolarHBondContact O-CG 3.23Å; I86-Q90 PolarHBondContact O-N 2.96Å; V87-Q90 PolarHBondContact O-N 3.29Å; Q90-N93 PolarHBondContact O-N 2.93Å; Q90-N94 WeakPolarHBondContact O-CB 3.23Å; Q90-N94 PolarHBondContact O-N 3.39Å; Q90-N94 PolarHBondContact O-ND2 2.9Å
91T50Low58.7Low65 Ų6594.6 Ų94.640%0.39949%0.485SS..Hα-helixtrans-68.6-39.417852.80000112.1V87 N88 N94 T95V87-T91 WeakPolarHBondContact O-CG2 3.31Å; V87-T91 PolarHBondContact O-N 3.48Å; V87-T91 PolarHBondContact O-OG1 3.09Å; N88-T91 PolarHBondContact O-OG1 2.78Å; N88-T91 VanDerWaalsContact O-OG1 3.13Å; T91-N94 PolarHBondContact O-N 3.45Å; T91-T95 WeakPolarHBondContact O-CB 3.34Å; T91-T95 PolarHBondContact O-N 3.48Å; T91-T95 PolarHBondContact O-OG1 3.35Å
92T58.7Low60.1Low77 Ų7791.5 Ų91.547%0.47247%0.47SS..Hα-helixtrans-62.5-47172.656.80000110.7N88 K89 N94 T95 T96N88-T92 VanDerWaalsContact O-CG2 3.23Å; N88-T92 WeakPolarHBondContact O-CG2 3.45Å; N88-T92 PolarHBondContact O-N 2.96Å; N88-T92 VanDerWaalsContact O-N 3.09Å; N88-T92 PolarHBondContact O-OG1 3.24Å; N88-T92 VanDerWaalsContact O-OG1 3.05Å; K89-T92 WeakPolarHBondContact CA-OG1 3.49Å; K89-T92 PolarHBondContact O-OG1 2.88Å; T92-N94 VanDerWaalsContact C-N 3.34Å; T92-N94 PolarHBondContact O-N 3.31Å; T92-T95 PolarHBondContact O-N 3.5Å; T92-T96 WeakPolarHBondContact O-CB 3.4Å; T92-T96 VanDerWaalsContact O-CG2 3.32Å; T92-T96 WeakPolarHBondContact O-CG2 3.36Å; T92-T96 PolarHBondContact O-N 2.87Å; T92-T96 PolarHBondContact O-OG1 3.23Å
93N59.3Low61.6Low70 Ų7086 Ų8637%0.37445%0.448SS..Hα-helixtrans-60.6-43.2178.8-69.9-8.8000111.7K89 Q90 T95 T96 N97K89-N93 VanDerWaalsContact O-CB 3.23Å; K89-N93 WeakPolarHBondContact O-CB 3.4Å; K89-N93 PolarHBondContact O-N 2.89Å; K89-N93 PolarHBondContact O-ND2 3.19Å; K89-N93 PolarHBondContact O-OD1 3.2Å; Q90-N93 PolarHBondContact O-N 2.93Å; N93-T95 PolarHBondContact O-N 3.05Å; N93-T96 WeakPolarHBondContact CA-OG1 3.4Å; N93-T96 PolarHBondContact O-N 3.09Å; N93-T96 PolarHBondContact O-OG1 3.11Å; N93-N97 WeakPolarHBondContact O-CB 3.32Å; N93-N97 PolarHBondContact O-N 2.93Å; N93-N97 PolarHBondContact O-ND2 3.46Å; N93-N97 VanDerWaalsContact O-ND2 3.11Å; N93-N97 PolarHBondContact O-OD1 3.41Å
94N62.9Low63.4Low107 Ų10785.8 Ų85.857%0.57245%0.452SS*.Hα-helixtrans-66.6-39.4179-70.1-13.9000111.8Q90 T91 T92 Y98Q90-N94 WeakPolarHBondContact O-CB 3.23Å; Q90-N94 PolarHBondContact O-N 3.39Å; Q90-N94 PolarHBondContact O-ND2 2.9Å; T91-N94 PolarHBondContact O-N 3.45Å; T92-N94 VanDerWaalsContact C-N 3.34Å; T92-N94 PolarHBondContact O-N 3.31Å; N94-Y98 WeakPolarHBondContact O-CB 3.16Å; N94-Y98 PolarHBondContact O-N 2.84Å
95T69Low65Low62 Ų6286.1 Ų86.138%0.3845%0.454SS..Hα-helixtrans-67.5-46.6176.9-53.30000110.9T91 T92 N93 N97 Y98 L99T91-T95 WeakPolarHBondContact O-CB 3.34Å; T91-T95 PolarHBondContact O-N 3.48Å; T91-T95 PolarHBondContact O-OG1 3.35Å; T92-T95 PolarHBondContact O-N 3.5Å; N93-T95 PolarHBondContact O-N 3.05Å; T95-N97 VanDerWaalsContact C-N 3.32Å; T95-N97 PolarHBondContact O-N 2.9Å; T95-Y98 PolarHBondContact O-N 3.45Å; T95-L99 HydrophobicContact CG2-CD1 4.35Å; T95-L99 WeakPolarHBondContact O-CG 3.34Å; T95-L99 PolarHBondContact O-N 3.09Å
96T71.7Confident66.7Low64 Ų6485.1 Ų85.139%0.39345%0.449SS..Hα-helixtrans-62.9-40.8176.954.20000111.3T92 N93 Y98 L99 N100T92-T96 WeakPolarHBondContact O-CB 3.4Å; T92-T96 VanDerWaalsContact O-CG2 3.32Å; T92-T96 WeakPolarHBondContact O-CG2 3.36Å; T92-T96 PolarHBondContact O-N 2.87Å; T92-T96 PolarHBondContact O-OG1 3.23Å; N93-T96 WeakPolarHBondContact CA-OG1 3.4Å; N93-T96 PolarHBondContact O-N 3.09Å; N93-T96 PolarHBondContact O-OG1 3.11Å; T96-Y98 VanDerWaalsContact C-N 3.33Å; T96-Y98 PolarHBondContact O-N 3.01Å; T96-L99 PolarHBondContact O-N 3.48Å; T96-N100 VanDerWaalsContact O-CB 3.29Å; T96-N100 WeakPolarHBondContact O-CB 3.46Å; T96-N100 PolarHBondContact O-N 3.37Å; T96-N100 PolarHBondContact O-ND2 2.9Å
97N71.6Confident68.4Low96 Ų9684.1 Ų84.151%0.51344%0.442SS..Hα-helixtrans-63.6-40176.3-69.5-14.2000111.4N93 T95 S101N93-N97 WeakPolarHBondContact O-CB 3.32Å; N93-N97 PolarHBondContact O-N 2.93Å; N93-N97 PolarHBondContact O-ND2 3.46Å; N93-N97 VanDerWaalsContact O-ND2 3.11Å; N93-N97 PolarHBondContact O-OD1 3.41Å; T95-N97 VanDerWaalsContact C-N 3.32Å; T95-N97 PolarHBondContact O-N 2.9Å; N97-S101 WeakPolarHBondContact O-CB 3.48Å; N97-S101 PolarHBondContact O-N 3.45Å; N97-S101 PolarHBondContact O-OG 3.31Å
98Y73.6Confident70.3Confident149 Ų14983.1 Ų83.158%0.58444%0.439SS*.Hα-helixtrans-67.2-41.9175.7179.1-98.9000112.8N94 T95 T96 S101 L102N94-Y98 WeakPolarHBondContact O-CB 3.16Å; N94-Y98 PolarHBondContact O-N 2.84Å; T95-Y98 PolarHBondContact O-N 3.45Å; T96-Y98 VanDerWaalsContact C-N 3.33Å; T96-Y98 PolarHBondContact O-N 3.01Å; Y98-S101 WeakPolarHBondContact CA-OG 3.29Å; Y98-S101 PolarHBondContact O-N 3.33Å; Y98-S101 PolarHBondContact O-OG 2.88Å; Y98-L102 WeakPolarHBondContact O-CB 3.47Å; Y98-L102 PolarHBondContact O-N 2.83Å
99L73.6Confident72.1Confident97 Ų9785.7 Ų85.751%0.50845%0.446SS..Hα-helixtrans-66.6-41.5176.9-67.2179.7000111.4T95 T96 L102 S103T95-L99 HydrophobicContact CG2-CD1 4.35Å; T95-L99 WeakPolarHBondContact O-CG 3.34Å; T95-L99 PolarHBondContact O-N 3.09Å; T96-L99 PolarHBondContact O-N 3.48Å; L99-L102 PolarHBondContact O-N 2.97Å; L99-S103 PolarHBondContact O-N 3.47Å
100N76.9Confident73.9Confident88 Ų8881.8 Ų81.847%0.47143%0.432SS..Hα-helixtrans-62.5-42.8173.9-70.9-16.2000111.1T96 L102 S103 S104T96-N100 VanDerWaalsContact O-CB 3.29Å; T96-N100 WeakPolarHBondContact O-CB 3.46Å; T96-N100 PolarHBondContact O-N 3.37Å; T96-N100 PolarHBondContact O-ND2 2.9Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.31Å; N100-S103 WeakPolarHBondContact O-CB 3.5Å; N100-S103 PolarHBondContact O-N 2.84Å; N100-S104 PolarHBondContact O-N 2.86Å; N100-S104 PolarHBondContact O-OG 3.38Å; N100-S104 VanDerWaalsContact O-OG 3.14Å
101S79.4Confident75.7Confident49 Ų4981.5 Ų81.534%0.34343%0.429SS..Hα-helixtrans-65.7-37.3176.973.60000112N97 Y98 S104 I105N97-S101 WeakPolarHBondContact O-CB 3.48Å; N97-S101 PolarHBondContact O-N 3.45Å; N97-S101 PolarHBondContact O-OG 3.31Å; Y98-S101 WeakPolarHBondContact CA-OG 3.29Å; Y98-S101 PolarHBondContact O-N 3.33Å; Y98-S101 PolarHBondContact O-OG 2.88Å; S101-S104 PolarHBondContact O-N 3.14Å; S101-I105 WeakPolarHBondContact O-CB 3.2Å; S101-I105 WeakPolarHBondContact O-CD1 3.5Å; S101-I105 WeakPolarHBondContact O-CG1 3.35Å; S101-I105 PolarHBondContact O-N 3.18Å
102L79.9Confident77.6Confident61 Ų6182.4 Ų82.432%0.31943%0.431SS..Hα-helixtrans-64.6-40.2175.3-172.763.1000111.9Y98 L99 N100 I105 K106Y98-L102 WeakPolarHBondContact O-CB 3.47Å; Y98-L102 PolarHBondContact O-N 2.83Å; L99-L102 PolarHBondContact O-N 2.97Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.31Å; L102-I105 PolarHBondContact O-N 3.01Å; L102-K106 VanDerWaalsContact O-CG 3.32Å; L102-K106 WeakPolarHBondContact O-CG 3.32Å; L102-K106 PolarHBondContact O-N 3.09Å
103S80.4Confident79.2Confident15 Ų1583.6 Ų83.611%0.10543%0.432CS..Hα-helixtrans-60.7-49.1172.6-177.20000110.9L99 N100 I105 K106 K107 H161L99-S103 PolarHBondContact O-N 3.47Å; N100-S103 WeakPolarHBondContact O-CB 3.5Å; N100-S103 PolarHBondContact O-N 2.84Å; S103-I105 PolarHBondContact O-N 2.99Å; S103-K106 PolarHBondContact O-N 3.3Å; S103-K107 WeakPolarHBondContact O-CG 3.36Å; S103-K107 PolarHBondContact O-N 3.09Å; S103-H161 WeakPolarHBondContact CB-NE2 3.27Å; S103-H161 PolarHBondContact OG-CE1 3.15Å; S103-H161 VanDerWaalsContact OG-CE1 3.3Å; S103-H161 PolarHBondContact OG-NE2 3.04Å; S103-H161 VanDerWaalsContact OG-NE2 3.09Å; S103-H161 PolarHBondContact OG-O 3.39Å; S103-H161 VanDerWaalsContact OG-O 3.09Å
104S80.5Confident80.7Confident74 Ų7481.4 Ų81.452%0.51742%0.419SS..Hα-helixtrans-60.6-40176.7-59.20000113.4N100 S101 K107 S108N100-S104 PolarHBondContact O-N 2.86Å; N100-S104 PolarHBondContact O-OG 3.38Å; N100-S104 VanDerWaalsContact O-OG 3.14Å; S101-S104 PolarHBondContact O-N 3.14Å; S104-K107 PolarHBondContact O-N 3.29Å; S104-S108 VanDerWaalsContact O-CB 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.3Å; S104-S108 PolarHBondContact O-N 3.2Å
105I84.5Confident82.1Confident86 Ų8680 Ų8044%0.44141%0.411SS..Hα-helixtrans-64.6-42.9176.3-69.6162.4000110.5S101 L102 S103 S108 K109S101-I105 WeakPolarHBondContact O-CB 3.2Å; S101-I105 WeakPolarHBondContact O-CD1 3.5Å; S101-I105 WeakPolarHBondContact O-CG1 3.35Å; S101-I105 PolarHBondContact O-N 3.18Å; L102-I105 PolarHBondContact O-N 3.01Å; S103-I105 PolarHBondContact O-N 2.99Å; I105-S108 PolarHBondContact O-N 3.21Å; I105-K109 HydrophobicContact CG2-CD 4.39Å; I105-K109 WeakPolarHBondContact O-CG 3.45Å; I105-K109 PolarHBondContact O-N 3.39Å
106K84.4Confident83.3Confident133 Ų13383.8 Ų83.858%0.57842%0.422SS*.Hα-helixtrans-63-47.3176.8-74.5176179.6-176.50111.3L102 S103 K109 L110L102-K106 VanDerWaalsContact O-CG 3.32Å; L102-K106 WeakPolarHBondContact O-CG 3.32Å; L102-K106 PolarHBondContact O-N 3.09Å; S103-K106 PolarHBondContact O-N 3.3Å; K106-K109 PolarHBondContact O-N 3.3Å; K106-L110 PolarHBondContact O-N 3.28Å
107K85.2Confident84.3Confident61 Ų6183.7 Ų83.727%0.26542%0.419SS..Hα-helixtrans-59.6-46.1175.6-72.1-179.4177.2-169.80112.1S103 S104 K109 L110 F111 N160 H161 L164S103-K107 WeakPolarHBondContact O-CG 3.36Å; S103-K107 PolarHBondContact O-N 3.09Å; S104-K107 PolarHBondContact O-N 3.29Å; K107-K109 VanDerWaalsContact C-N 3.32Å; K107-K109 PolarHBondContact O-N 3.47Å; K107-L110 CarbonylContact O-C 3.4Å; K107-L110 PolarHBondContact O-N 3.33Å; K107-F111 WeakPolarHBondContact O-CB 3.43Å; K107-F111 PolarHBondContact O-N 3.2Å; K107-N160 WeakPolarHBondContact CE-O 3.13Å; K107-N160 PolarHBondContact NZ-O 2.86Å; K107-H161 WeakPolarHBondContact CE-O 3.35Å; K107-L164 VanDerWaalsContact O-CD2 3.29Å; K107-L164 WeakPolarHBondContact O-CD2 3.38Å
108S84.7Confident85.5Confident60 Ų6081.8 Ų81.842%0.4241%0.413SS..Hα-helixtrans-60.4-41.9178.2175.80000111.9S104 I105 F111 N112S104-S108 VanDerWaalsContact O-CB 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.3Å; S104-S108 PolarHBondContact O-N 3.2Å; I105-S108 PolarHBondContact O-N 3.21Å; S108-F111 PolarHBondContact O-N 3.38Å; S108-N112 WeakPolarHBondContact O-CB 2.99Å; S108-N112 PolarHBondContact O-N 3.01Å; S108-N112 PolarHBondContact O-ND2 2.77Å
109K88.3Confident86.5Confident135 Ų13580.4 Ų80.459%0.58742%0.415SS*.Hα-helixtrans-60.9-49.8173.5-73.2177.1-179.4-174.60111.4I105 K106 K107 F111 N112 E113I105-K109 HydrophobicContact CG2-CD 4.39Å; I105-K109 WeakPolarHBondContact O-CG 3.45Å; I105-K109 PolarHBondContact O-N 3.39Å; K106-K109 PolarHBondContact O-N 3.3Å; K107-K109 VanDerWaalsContact C-N 3.32Å; K107-K109 PolarHBondContact O-N 3.47Å; K109-F111 PolarHBondContact O-N 2.84Å; K109-N112 PolarHBondContact O-N 3.45Å; K109-E113 WeakPolarHBondContact O-CG 3.4Å; K109-E113 PolarHBondContact O-N 2.99Å
110L87.9Confident87.6Confident61 Ų6181.8 Ų81.832%0.31942%0.423SS..Hα-helixtrans-61.1-35.5178.2-17462.1000111.7K106 K107 E113 F114 Y163 L164K106-L110 PolarHBondContact O-N 3.28Å; K107-L110 CarbonylContact O-C 3.4Å; K107-L110 PolarHBondContact O-N 3.33Å; L110-E113 PolarHBondContact O-N 2.89Å; L110-F114 VanDerWaalsContact O-CB 3.3Å; L110-F114 WeakPolarHBondContact O-CB 3.29Å; L110-F114 PolarHBondContact O-N 3.04Å; L110-Y163 HydrophobicContact CD2-CD1 4.37Å; L110-L164 HydrophobicContact CB-CD2 3.97Å; L110-L164 HydrophobicContact CD2-CD2 4.28Å; L110-L164 HydrophobicContact CD2-CG 4.2Å; L110-L164 HydrophobicContact CG-CD1 4.33Å; L110-L164 HydrophobicContact CG-CD2 4.04Å; L110-L164 HydrophobicContact CG-CG 4.08Å
111F88Confident88.6Confident102 Ų10282 Ų8245%0.44742%0.422SS..Hα-helixtrans-66.7-44.9-179.8-172.6-109.3000110.1K107 S108 K109 E113 F114 N115 L164K107-F111 WeakPolarHBondContact O-CB 3.43Å; K107-F111 PolarHBondContact O-N 3.2Å; S108-F111 PolarHBondContact O-N 3.38Å; K109-F111 PolarHBondContact O-N 2.84Å; F111-E113 VanDerWaalsContact C-N 3.34Å; F111-E113 PolarHBondContact O-N 2.6Å; F111-F114 PolarHBondContact O-N 3.15Å; F111-N115 WeakPolarHBondContact CD1-ND2 3.02Å; F111-N115 WeakPolarHBondContact CE1-ND2 3.37Å; F111-N115 WeakPolarHBondContact CZ-ND2 3.48Å; F111-N115 WeakPolarHBondContact O-CB 3.33Å; F111-N115 VanDerWaalsContact O-CG 3.24Å; F111-N115 PolarHBondContact O-N 3.19Å; F111-N115 PolarHBondContact O-ND2 3.44Å; F111-L164 VanDerWaalsContact CA-CD2 3.41Å; F111-L164 HydrophobicContact CB-CD1 4.39Å; F111-L164 HydrophobicContact CB-CD2 3.54Å; F111-L164 HydrophobicContact CD2-CB 4.49Å; F111-L164 HydrophobicContact CD2-CD1 4.08Å; F111-L164 HydrophobicContact CD2-CD2 4.05Å; F111-L164 HydrophobicContact CD2-CG 4.43Å; F111-L164 HydrophobicContact CG-CD2 4.3Å; F111-L164 VanDerWaalsContact N-CD2 3.28Å
112N90.2Very high89.3Confident83 Ų8381.7 Ų81.744%0.44441%0.414SS..Hα-helixtrans-64.8-38.6176.6-66.1-20.3000111.7S108 K109 K116S108-N112 WeakPolarHBondContact O-CB 2.99Å; S108-N112 PolarHBondContact O-N 3.01Å; S108-N112 PolarHBondContact O-ND2 2.77Å; K109-N112 PolarHBondContact O-N 3.45Å; N112-K116 VanDerWaalsContact O-CG 3.31Å; N112-K116 WeakPolarHBondContact O-CG 3.48Å; N112-K116 PolarHBondContact O-N 2.96Å
113E91.5Very high90Very high103 Ų10382.5 Ų82.548%0.48142%0.419SS..Hα-helixtrans-69.2-42.3174.6-63.1-47.1138.300112K109 L110 F111 N115 K116K109-E113 WeakPolarHBondContact O-CG 3.4Å; K109-E113 PolarHBondContact O-N 2.99Å; L110-E113 PolarHBondContact O-N 2.89Å; F111-E113 VanDerWaalsContact C-N 3.34Å; F111-E113 PolarHBondContact O-N 2.6Å; E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 2.96Å; E113-K116 WeakPolarHBondContact O-CB 3.33Å; E113-K116 PolarHBondContact O-N 2.87Å; E113-K116 VanDerWaalsContact O-N 3.13Å; E113-K116 IonicContact OE1-NZ 2.84Å; E113-K116 PolarHBondContact OE1-NZ 3.18Å; E113-K116 WeakPolarHBondContact OE2-CD 3.12Å; E113-K116 IonicContact OE2-NZ 2.85Å; E113-K116 PolarHBondContact OE2-NZ 3.48Å
114F91.7Very high90.7Very high24 Ų2488.7 Ų88.711%0.10545%0.446CS..Hα-helixtrans-61.3-41.6177.4-178.1-96.2000112.2L110 F111 K116 L117 Q122 E125 L164L110-F114 VanDerWaalsContact O-CB 3.3Å; L110-F114 WeakPolarHBondContact O-CB 3.29Å; L110-F114 PolarHBondContact O-N 3.04Å; F111-F114 PolarHBondContact O-N 3.15Å; F114-K116 PolarHBondContact O-N 2.86Å; F114-L117 HydrophobicContact CD2-CD1 4.25Å; F114-L117 VanDerWaalsContact O-CB 3.27Å; F114-L117 WeakPolarHBondContact O-CB 3.39Å; F114-L117 PolarHBondContact O-N 3.26Å; F114-L117 VanDerWaalsContact O-N 3.11Å; F114-Q122 HydrophobicContact CD1-CG 4.18Å; F114-Q122 HydrophobicContact CD2-CG 4.44Å; F114-Q122 HydrophobicContact CE1-CB 4.03Å; F114-Q122 HydrophobicContact CE1-CG 3.75Å; F114-Q122 HydrophobicContact CE2-CB 4.01Å; F114-Q122 HydrophobicContact CE2-CG 4.05Å; F114-Q122 HydrophobicContact CZ-CB 3.55Å; F114-Q122 HydrophobicContact CZ-CG 3.69Å; F114-E125 HydrophobicContact CD2-CB 4.49Å; F114-E125 HydrophobicContact CD2-CG 3.91Å; F114-E125 HydrophobicContact CE2-CB 4Å; F114-E125 HydrophobicContact CE2-CG 3.7Å; F114-L164 HydrophobicContact CB-CD1 3.31Å; F114-L164 HydrophobicContact CD1-CD1 3.88Å; F114-L164 HydrophobicContact CD2-CD1 4.17Å; F114-L164 HydrophobicContact CG-CD1 3.52Å
115N91.6Very high91.4Very high77 Ų7787.8 Ų87.841%0.41243%0.434SS..THydrogen-bonded Turntrans-70.9-13177.9-69.8-26000114.1F111 E113 L117F111-N115 WeakPolarHBondContact CD1-ND2 3.02Å; F111-N115 WeakPolarHBondContact CE1-ND2 3.37Å; F111-N115 WeakPolarHBondContact CZ-ND2 3.48Å; F111-N115 WeakPolarHBondContact O-CB 3.33Å; F111-N115 VanDerWaalsContact O-CG 3.24Å; F111-N115 PolarHBondContact O-N 3.19Å; F111-N115 PolarHBondContact O-ND2 3.44Å; E113-N115 VanDerWaalsContact C-N 3.35Å; E113-N115 PolarHBondContact O-N 2.96Å; N115-L117 VanDerWaalsContact C-N 3.34Å
116K94.4Very high91.7Very high142 Ų14286.3 Ų86.362%0.61743%0.427SS*.THydrogen-bonded Turntrans-81.4-17.7171.9-69.4169.2-163.3171.50112.5N112 E113 F114N112-K116 VanDerWaalsContact O-CG 3.31Å; N112-K116 WeakPolarHBondContact O-CG 3.48Å; N112-K116 PolarHBondContact O-N 2.96Å; E113-K116 WeakPolarHBondContact O-CB 3.33Å; E113-K116 PolarHBondContact O-N 2.87Å; E113-K116 VanDerWaalsContact O-N 3.13Å; E113-K116 IonicContact OE1-NZ 2.84Å; E113-K116 PolarHBondContact OE1-NZ 3.18Å; E113-K116 WeakPolarHBondContact OE2-CD 3.12Å; E113-K116 IonicContact OE2-NZ 2.85Å; E113-K116 PolarHBondContact OE2-NZ 3.48Å; F114-K116 PolarHBondContact O-N 2.86Å
117L93.3Very high92.2Very high62 Ų6286.2 Ų86.233%0.32543%0.429SS..SBendtrans-70.7151.6177.6-59.2178.2000110.4F114 N115 E121 Q122F114-L117 HydrophobicContact CD2-CD1 4.25Å; F114-L117 VanDerWaalsContact O-CB 3.27Å; F114-L117 WeakPolarHBondContact O-CB 3.39Å; F114-L117 PolarHBondContact O-N 3.26Å; F114-L117 VanDerWaalsContact O-N 3.11Å; N115-L117 VanDerWaalsContact C-N 3.34Å; L117-E121 HydrophobicContact CB-CB 3.87Å; L117-E121 HydrophobicContact CD1-CB 4.42Å; L117-E121 HydrophobicContact CD2-CB 4.48Å; L117-E121 HydrophobicContact CG-CB 4.48Å; L117-Q122 HydrophobicContact CB-CG 3.87Å; L117-Q122 PolarHBondContact O-NE2 3.16Å
118S96.2Very high92.6Very high56 Ų5687.3 Ų87.339%0.39244%0.437SS..  trans-63.3162.9168.565.60000111.2D120 E121 Q122S118-D120 PolarHBondContact O-N 3.22Å; S118-E121 WeakPolarHBondContact CB-OE2 3.34Å; S118-E121 PolarHBondContact N-OE2 3.34Å; S118-E121 PolarHBondContact O-N 3.38Å; S118-E121 VanDerWaalsContact OG-CD 3.3Å; S118-E121 VanDerWaalsContact OG-CG 3.27Å; S118-E121 WeakPolarHBondContact OG-CG 3.48Å; S118-E121 PolarHBondContact OG-N 2.89Å; S118-E121 PolarHBondContact OG-OE2 2.92Å; S118-Q122 WeakPolarHBondContact O-CG 3.35Å; S118-Q122 PolarHBondContact O-N 3.24Å
119L95.2Very high92.9Very high119 Ų11985.5 Ų85.562%0.62342%0.421SS*.Hα-helixtrans-60-37.5-180-175.761.1000112.1Q122 N123L119-Q122 PolarHBondContact O-N 3.32Å; L119-N123 PolarHBondContact O-N 3.27Å; L119-N123 PolarHBondContact O-ND2 3.05Å; L119-N123 VanDerWaalsContact O-ND2 3.15Å
120D96Very high93Very high126 Ų12685.7 Ų85.767%0.67442%0.419SS*.Hα-helixtrans-66.7-43.7178.4-65-28.7000111.5S118 N123 E124S118-D120 PolarHBondContact O-N 3.22Å; D120-N123 PolarHBondContact O-N 3.47Å; D120-E124 PolarHBondContact O-N 2.93Å
121E96.7Very high93.3Very high94 Ų9490.1 Ų90.144%0.43944%0.436SS..Hα-helixtrans-65.6-38175.9-72167.9134.600112.2L117 S118 N123 E124 E125L117-E121 HydrophobicContact CB-CB 3.87Å; L117-E121 HydrophobicContact CD1-CB 4.42Å; L117-E121 HydrophobicContact CD2-CB 4.48Å; L117-E121 HydrophobicContact CG-CB 4.48Å; S118-E121 WeakPolarHBondContact CB-OE2 3.34Å; S118-E121 PolarHBondContact N-OE2 3.34Å; S118-E121 PolarHBondContact O-N 3.38Å; S118-E121 VanDerWaalsContact OG-CD 3.3Å; S118-E121 VanDerWaalsContact OG-CG 3.27Å; S118-E121 WeakPolarHBondContact OG-CG 3.48Å; S118-E121 PolarHBondContact OG-N 2.89Å; S118-E121 PolarHBondContact OG-OE2 2.92Å; E121-N123 VanDerWaalsContact C-N 3.31Å; E121-N123 PolarHBondContact O-N 2.93Å; E121-E124 PolarHBondContact O-N 3.4Å; E121-E125 WeakPolarHBondContact O-CB 3.49Å; E121-E125 PolarHBondContact O-N 2.73Å
122Q94.4Very high93.5Very high41 Ų4189.2 Ų89.219%0.19243%0.433CS..Hα-helixtrans-61.9-41.3173.8-72.8-18041.100111.4F114 L117 S118 L119 N126F114-Q122 HydrophobicContact CD1-CG 4.18Å; F114-Q122 HydrophobicContact CD2-CG 4.44Å; F114-Q122 HydrophobicContact CE1-CB 4.03Å; F114-Q122 HydrophobicContact CE1-CG 3.75Å; F114-Q122 HydrophobicContact CE2-CB 4.01Å; F114-Q122 HydrophobicContact CE2-CG 4.05Å; F114-Q122 HydrophobicContact CZ-CB 3.55Å; F114-Q122 HydrophobicContact CZ-CG 3.69Å; L117-Q122 HydrophobicContact CB-CG 3.87Å; L117-Q122 PolarHBondContact O-NE2 3.16Å; S118-Q122 WeakPolarHBondContact O-CG 3.35Å; S118-Q122 PolarHBondContact O-N 3.24Å; L119-Q122 PolarHBondContact O-N 3.32Å; Q122-N126 WeakPolarHBondContact O-CB 3.49Å; Q122-N126 VanDerWaalsContact O-CG 3.23Å; Q122-N126 PolarHBondContact O-N 2.85Å; Q122-N126 PolarHBondContact O-ND2 2.66Å
123N95.2Very high93.5Very high79 Ų7986.1 Ų86.142%0.42242%0.416SS..Hα-helixtrans-66-43.9176-69.4-29.2000111.4L119 D120 E121 E125 N126 E127L119-N123 PolarHBondContact O-N 3.27Å; L119-N123 PolarHBondContact O-ND2 3.05Å; L119-N123 VanDerWaalsContact O-ND2 3.15Å; D120-N123 PolarHBondContact O-N 3.47Å; E121-N123 VanDerWaalsContact C-N 3.31Å; E121-N123 PolarHBondContact O-N 2.93Å; N123-E125 PolarHBondContact O-N 3.24Å; N123-N126 PolarHBondContact O-N 3.36Å; N123-E127 WeakPolarHBondContact O-CG 3.41Å; N123-E127 PolarHBondContact O-N 3.31Å
124E96.1Very high93.5Very high144 Ų14485.5 Ų85.567%0.67342%0.416SS*.Hα-helixtrans-59.8-44.3175.9-175176.7-174.800112.1D120 E121 N126 E127 L128D120-E124 PolarHBondContact O-N 2.93Å; E121-E124 PolarHBondContact O-N 3.4Å; E124-N126 VanDerWaalsContact C-N 3.34Å; E124-N126 PolarHBondContact O-N 2.83Å; E124-E127 PolarHBondContact O-N 3.33Å; E124-L128 WeakPolarHBondContact O-CB 3.31Å; E124-L128 PolarHBondContact O-N 2.84Å
125E93.3Very high93.6Very high56 Ų5690.8 Ų90.826%0.26244%0.439SS..Hα-helixtrans-62.6-40.5175.9172.663.2-166.600111.5F114 E121 N123 L128 R129F114-E125 HydrophobicContact CD2-CB 4.49Å; F114-E125 HydrophobicContact CD2-CG 3.91Å; F114-E125 HydrophobicContact CE2-CB 4Å; F114-E125 HydrophobicContact CE2-CG 3.7Å; E121-E125 WeakPolarHBondContact O-CB 3.49Å; E121-E125 PolarHBondContact O-N 2.73Å; N123-E125 PolarHBondContact O-N 3.24Å; E125-L128 PolarHBondContact O-N 3.31Å; E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.3Å; E125-R129 PolarHBondContact O-N 2.99Å; E125-R129 IonicContact OE1-CZ 2.73Å; E125-R129 IonicContact OE1-NE 3.01Å; E125-R129 PolarHBondContact OE1-NE 3.36Å; E125-R129 IonicContact OE1-NH2 3.39Å; E125-R129 PolarHBondContact OE1-NH2 3.48Å
126N92Very high93.6Very high54 Ų5490.3 Ų90.329%0.28944%0.436SS..Hα-helixtrans-63.9-45.1174.8-73.8-28.3000112Q122 N123 E124 L128 R129 Y130Q122-N126 WeakPolarHBondContact O-CB 3.49Å; Q122-N126 VanDerWaalsContact O-CG 3.23Å; Q122-N126 PolarHBondContact O-N 2.85Å; Q122-N126 PolarHBondContact O-ND2 2.66Å; N123-N126 PolarHBondContact O-N 3.36Å; E124-N126 VanDerWaalsContact C-N 3.34Å; E124-N126 PolarHBondContact O-N 2.83Å; N126-L128 VanDerWaalsContact C-N 3.33Å; N126-L128 PolarHBondContact O-N 3.5Å; N126-R129 WeakPolarHBondContact O-CB 3.43Å; N126-R129 PolarHBondContact O-N 3.46Å; N126-Y130 HydrophobicContact CB-CE2 4.5Å; N126-Y130 WeakPolarHBondContact O-CD2 3.25Å; N126-Y130 PolarHBondContact O-N 3.13Å
127E95.2Very high93.5Very high131 Ų13187.7 Ų87.761%0.61242%0.423SS*.Hα-helixtrans-61.2-41.4175.7-72.8-57.8131.100111.9N123 E124 R129 Y130 K131N123-E127 WeakPolarHBondContact O-CG 3.41Å; N123-E127 PolarHBondContact O-N 3.31Å; E124-E127 PolarHBondContact O-N 3.33Å; E127-R129 VanDerWaalsContact C-N 3.33Å; E127-R129 PolarHBondContact O-N 2.94Å; E127-Y130 PolarHBondContact O-N 3.43Å; E127-K131 WeakPolarHBondContact O-CB 3.48Å; E127-K131 PolarHBondContact O-N 2.85Å
128L93.7Very high93.5Very high84 Ų8489.8 Ų89.844%0.4443%0.431SS..Hα-helixtrans-61.6-42.2175.7-169.971.8000111.3E124 E125 N126 K131 Q132E124-L128 WeakPolarHBondContact O-CB 3.31Å; E124-L128 PolarHBondContact O-N 2.84Å; E125-L128 PolarHBondContact O-N 3.31Å; N126-L128 VanDerWaalsContact C-N 3.33Å; N126-L128 PolarHBondContact O-N 3.5Å; L128-K131 WeakPolarHBondContact O-CB 3.43Å; L128-K131 PolarHBondContact O-N 3.34Å; L128-Q132 VanDerWaalsContact O-CG 3.31Å; L128-Q132 WeakPolarHBondContact O-CG 3.48Å; L128-Q132 PolarHBondContact O-N 2.9Å
129R90.5Very high93.4Very high22 Ų2290.8 Ų90.88%0.08343%0.432CS..Hα-helixtrans-61.6-45.4175.2-73.1171-175.5-164.67.5111.9E125 N126 E127 K131 Q132 L133E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.3Å; E125-R129 PolarHBondContact O-N 2.99Å; E125-R129 IonicContact OE1-CZ 2.73Å; E125-R129 IonicContact OE1-NE 3.01Å; E125-R129 PolarHBondContact OE1-NE 3.36Å; E125-R129 IonicContact OE1-NH2 3.39Å; E125-R129 PolarHBondContact OE1-NH2 3.48Å; N126-R129 WeakPolarHBondContact O-CB 3.43Å; N126-R129 PolarHBondContact O-N 3.46Å; E127-R129 VanDerWaalsContact C-N 3.33Å; E127-R129 PolarHBondContact O-N 2.94Å; R129-K131 VanDerWaalsContact C-N 3.32Å; R129-K131 PolarHBondContact O-N 3.01Å; R129-Q132 PolarHBondContact O-N 3.26Å; R129-L133 WeakPolarHBondContact O-CB 3.26Å; R129-L133 PolarHBondContact O-N 3.37Å
130Y90.8Very high93.2Very high139 Ų13985.6 Ų85.655%0.54540%0.404SS..Hα-helixtrans-62.2-40.3176.1-73.3-59.9000112.1N126 E127 Q132 L133 N134N126-Y130 HydrophobicContact CB-CE2 4.5Å; N126-Y130 WeakPolarHBondContact O-CD2 3.25Å; N126-Y130 PolarHBondContact O-N 3.13Å; E127-Y130 PolarHBondContact O-N 3.43Å; Y130-Q132 PolarHBondContact O-N 2.87Å; Y130-L133 HydrophobicContact CD1-CD1 4.24Å; Y130-L133 WeakPolarHBondContact O-CB 3.42Å; Y130-L133 PolarHBondContact O-N 3.22Å; Y130-N134 VanDerWaalsContact O-CG 3.3Å; Y130-N134 PolarHBondContact O-N 2.83Å; Y130-N134 PolarHBondContact O-ND2 3.48Å
131K93.8Very high93Very high154 Ų15482.7 Ų82.767%0.6739%0.387SS*.Hα-helixtrans-62.5-41.4175.3-172.9176.6-178.9177.60112.3E127 L128 R129 K135E127-K131 WeakPolarHBondContact O-CB 3.48Å; E127-K131 PolarHBondContact O-N 2.85Å; L128-K131 WeakPolarHBondContact O-CB 3.43Å; L128-K131 PolarHBondContact O-N 3.34Å; R129-K131 VanDerWaalsContact C-N 3.32Å; R129-K131 PolarHBondContact O-N 3.01Å; K131-K135 PolarHBondContact O-N 3.25Å
132Q91.8Very high92.9Very high84 Ų8481.6 Ų81.639%0.39339%0.39SS..Hα-helixtrans-64.6-44.3175.1-71.6171.6-7.400111.9L128 R129 Y130 N134 K135 L136L128-Q132 VanDerWaalsContact O-CG 3.31Å; L128-Q132 WeakPolarHBondContact O-CG 3.48Å; L128-Q132 PolarHBondContact O-N 2.9Å; R129-Q132 PolarHBondContact O-N 3.26Å; Y130-Q132 PolarHBondContact O-N 2.87Å; Q132-N134 PolarHBondContact O-N 2.95Å; Q132-K135 PolarHBondContact O-N 3.45Å; Q132-K135 VanDerWaalsContact O-N 3.17Å; Q132-L136 PolarHBondContact O-N 3.32Å
133L91Very high92.8Very high18 Ų1883.1 Ų83.19%0.09440%0.399CS..Hα-helixtrans-56-49.6175.3-89.6165.5000111.7R129 Y130 K135 L136 Y137 I155 I156 M159R129-L133 WeakPolarHBondContact O-CB 3.26Å; R129-L133 PolarHBondContact O-N 3.37Å; Y130-L133 HydrophobicContact CD1-CD1 4.24Å; Y130-L133 WeakPolarHBondContact O-CB 3.42Å; Y130-L133 PolarHBondContact O-N 3.22Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.2Å; L133-L136 PolarHBondContact O-N 3.44Å; L133-Y137 WeakPolarHBondContact O-CB 3.5Å; L133-Y137 PolarHBondContact O-N 3.32Å; L133-I155 HydrophobicContact CD2-CG2 3.79Å; L133-I156 HydrophobicContact CD1-CG1 4.38Å; L133-I156 HydrophobicContact CD2-CG1 4.02Å; L133-M159 HydrophobicContact CD2-CB 4.4Å; L133-M159 HydrophobicContact CD2-CE 4.16Å; L133-M159 HydrophobicContact CD2-CG 4.12Å; L133-M159 HydrophobicContact CD2-SD 3.12Å; L133-M159 WeakPolarHBondContact CD2-SD 3.47Å; L133-M159 HydrophobicContact CG-CE 3.88Å; L133-M159 HydrophobicContact CG-SD 3.48Å; L133-M159 WeakPolarHBondContact CG-SD 3.38Å
134N91.3Very high92.6Very high90 Ų9082.2 Ų82.248%0.48140%0.398SS..Hα-helixtrans-60.3-41.3177.5-71.5-23.5000111.2Y130 Q132 Y137 E138Y130-N134 VanDerWaalsContact O-CG 3.3Å; Y130-N134 PolarHBondContact O-N 2.83Å; Y130-N134 PolarHBondContact O-ND2 3.48Å; Q132-N134 PolarHBondContact O-N 2.95Å; N134-Y137 PolarHBondContact O-N 3.42Å; N134-E138 WeakPolarHBondContact O-CG 3.36Å; N134-E138 PolarHBondContact O-N 3.47Å
135K93.6Very high92.5Very high135 Ų13585 Ų8559%0.58741%0.41SS*.Hα-helixtrans-66.7-39.4178.6-167.465.9-167.2163.50113.1K131 Q132 L133 E138 L139K131-K135 PolarHBondContact O-N 3.25Å; Q132-K135 PolarHBondContact O-N 3.45Å; Q132-K135 VanDerWaalsContact O-N 3.17Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.2Å; K135-E138 IonicContact NZ-OE2 2.78Å; K135-E138 PolarHBondContact NZ-OE2 2.91Å; K135-L139 WeakPolarHBondContact O-CB 3.48Å; K135-L139 PolarHBondContact O-N 3.31Å
136L90.9Very high92.5Very high66 Ų6688.8 Ų88.835%0.34643%0.428SS..Hα-helixtrans-65.1-42.7175178.657.5000110.9Q132 L133 L139 I140 I155 M159Q132-L136 PolarHBondContact O-N 3.32Å; L133-L136 PolarHBondContact O-N 3.44Å; L136-L139 WeakPolarHBondContact O-CB 3.41Å; L136-L139 PolarHBondContact O-N 3.11Å; L136-I140 HydrophobicContact CD1-CD1 3.88Å; L136-I140 HydrophobicContact CD1-CG1 4.25Å; L136-I140 HydrophobicContact CG-CD1 3.85Å; L136-I140 WeakPolarHBondContact O-CG1 3.31Å; L136-I140 PolarHBondContact O-N 3.39Å; L136-I155 HydrophobicContact CD2-CG2 3.54Å; L136-I155 HydrophobicContact CG-CG2 4.07Å; L136-M159 HydrophobicContact CD2-SD 4.28Å
137Y92.1Very high92.4Very high87 Ų8790.6 Ų90.634%0.34143%0.432SS..Hα-helixtrans-60.5-48.4175.7-179.9-110.6000111.8L133 N134 L139 I140 Q141 I152 I155L133-Y137 WeakPolarHBondContact O-CB 3.5Å; L133-Y137 PolarHBondContact O-N 3.32Å; N134-Y137 PolarHBondContact O-N 3.42Å; Y137-L139 VanDerWaalsContact C-N 3.29Å; Y137-L139 PolarHBondContact O-N 3.26Å; Y137-I140 PolarHBondContact O-N 3.48Å; Y137-Q141 HydrophobicContact CD1-CG 4.33Å; Y137-Q141 HydrophobicContact CD2-CG 4.22Å; Y137-Q141 HydrophobicContact CE1-CG 3.97Å; Y137-Q141 HydrophobicContact CE2-CG 3.87Å; Y137-Q141 HydrophobicContact CG-CG 4.45Å; Y137-Q141 WeakPolarHBondContact O-CG 3.5Å; Y137-Q141 PolarHBondContact O-N 3.28Å; Y137-I152 HydrophobicContact CD2-CB 4.31Å; Y137-I152 HydrophobicContact CD2-CD1 4.21Å; Y137-I152 HydrophobicContact CE2-CB 4.34Å; Y137-I152 HydrophobicContact CG-CD1 4.08Å; Y137-I155 HydrophobicContact CD2-CD1 3.65Å; Y137-I155 HydrophobicContact CG-CD1 4.26Å
138E93.3Very high92.2Very high107 Ų10785.9 Ų85.950%0.542%0.419SS..Hα-helixtrans-54.1-45.5173.3-75176-174.200112.1N134 K135 Q141 S142N134-E138 WeakPolarHBondContact O-CG 3.36Å; N134-E138 PolarHBondContact O-N 3.47Å; K135-E138 IonicContact NZ-OE2 2.78Å; K135-E138 PolarHBondContact NZ-OE2 2.91Å; E138-Q141 PolarHBondContact O-N 3.36Å; E138-S142 WeakPolarHBondContact O-CB 3.43Å; E138-S142 PolarHBondContact O-N 3.17Å; E138-S142 PolarHBondContact O-OG 2.89Å
139L93.9Very high91.9Very high76 Ų7688.7 Ų88.740%0.39843%0.429SS..Hα-helixtrans-62.8-43.7179.9179.863.9000111.7K135 L136 Y137 S142 N143 Y147K135-L139 WeakPolarHBondContact O-CB 3.48Å; K135-L139 PolarHBondContact O-N 3.31Å; L136-L139 WeakPolarHBondContact O-CB 3.41Å; L136-L139 PolarHBondContact O-N 3.11Å; Y137-L139 VanDerWaalsContact C-N 3.29Å; Y137-L139 PolarHBondContact O-N 3.26Å; L139-S142 PolarHBondContact O-N 3.05Å; L139-S142 PolarHBondContact O-OG 2.93Å; L139-N143 PolarHBondContact O-N 2.99Å; L139-Y147 HydrophobicContact CG-CE2 4.18Å
140I92.3Very high91.8Very high10 Ų1090.3 Ų90.35%0.05144%0.44CS..Hα-helixtrans-64.8-45.5178.1-71.4164.2000110.7L136 Y137 S142 N143 Y147 L150 I155L136-I140 HydrophobicContact CD1-CD1 3.88Å; L136-I140 HydrophobicContact CD1-CG1 4.25Å; L136-I140 HydrophobicContact CG-CD1 3.85Å; L136-I140 WeakPolarHBondContact O-CG1 3.31Å; L136-I140 PolarHBondContact O-N 3.39Å; Y137-I140 PolarHBondContact O-N 3.48Å; I140-S142 PolarHBondContact O-N 3.33Å; I140-N143 CarbonylContact O-C 3.59Å; I140-N143 PolarHBondContact O-N 3.21Å; I140-Y147 HydrophobicContact CG1-CD2 4.36Å; I140-Y147 HydrophobicContact CG1-CG 4.14Å; I140-L150 HydrophobicContact CD1-CD1 4.13Å; I140-L150 HydrophobicContact CG2-CB 4.09Å; I140-L150 HydrophobicContact CG2-CD1 4.25Å; I140-L150 HydrophobicContact CG2-CG 4.43Å; I140-I155 HydrophobicContact CD1-CD1 3.5Å; I140-I155 VanDerWaalsContact CD1-CD1 3.5Å; I140-I155 HydrophobicContact CD1-CG1 3.78Å
141Q91.2Very high91.7Very high65 Ų6586.9 Ų86.930%0.30443%0.433SS..Hα-helixtrans-64.8-29.3177.6-64.7-49-48.100112.6Y137 E138 N143 L150Y137-Q141 HydrophobicContact CD1-CG 4.33Å; Y137-Q141 HydrophobicContact CD2-CG 4.22Å; Y137-Q141 HydrophobicContact CE1-CG 3.97Å; Y137-Q141 HydrophobicContact CE2-CG 3.87Å; Y137-Q141 HydrophobicContact CG-CG 4.45Å; Y137-Q141 WeakPolarHBondContact O-CG 3.5Å; Y137-Q141 PolarHBondContact O-N 3.28Å; E138-Q141 PolarHBondContact O-N 3.36Å; Q141-N143 VanDerWaalsContact C-N 3.33Å; Q141-L150 PolarHBondContact NE2-O 2.72Å
142S94.1Very high91.4Very high72 Ų7282.2 Ų82.250%0.50342%0.415SS..Hα-helixtrans-71.5-25177.3710000113.8E138 L139 I140E138-S142 WeakPolarHBondContact O-CB 3.43Å; E138-S142 PolarHBondContact O-N 3.17Å; E138-S142 PolarHBondContact O-OG 2.89Å; L139-S142 PolarHBondContact O-N 3.05Å; L139-S142 PolarHBondContact O-OG 2.93Å; I140-S142 PolarHBondContact O-N 3.33Å
143N93.3Very high91.4Very high72 Ų7283.4 Ų83.439%0.38542%0.424SS..  trans-137.364.1-176.4-62.5-68.3000112.5L139 I140 Q141 E145 Q146 Y147L139-N143 PolarHBondContact O-N 2.99Å; I140-N143 CarbonylContact O-C 3.59Å; I140-N143 PolarHBondContact O-N 3.21Å; Q141-N143 VanDerWaalsContact C-N 3.33Å; N143-E145 PolarHBondContact O-N 2.9Å; N143-Q146 HydrophobicContact CB-CB 4.38Å; N143-Q146 PolarHBondContact O-N 3.11Å; N143-Q146 VanDerWaalsContact O-N 3.09Å; N143-Y147 HydrophobicContact CB-CD2 3.95Å; N143-Y147 HydrophobicContact CB-CE2 3.91Å; N143-Y147 WeakPolarHBondContact O-CD2 3.46Å; N143-Y147 PolarHBondContact O-N 3.35Å
144P90.9Very high91.4Very high61 Ų6185.5 Ų85.540%0.39644%0.435SS..Hα-helixtrans-64.7-22.5-177.426.8-35.1000113.2Q146 G148P144-Q146 VanDerWaalsContact C-N 3.31Å; P144-Q146 PolarHBondContact O-N 3.26Å; P144-G148 WeakPolarHBondContact O-CA 3.45Å; P144-G148 PolarHBondContact O-N 3.43Å
145E93.1Very high91.3Very high201 Ų20181.6 Ų81.694%0.93941%0.414SS*.Hα-helixtrans-63.6-36.8173.8-172.9-176.2175.800112.2N143N143-E145 PolarHBondContact O-N 2.9Å
146Q93.3Very high91Very high137 Ų13778.1 Ų78.164%0.6440%0.401SS*.Hα-helixtrans-86.4-40.5-177.1-175.6177.8-8.200112.4N143 P144N143-Q146 HydrophobicContact CB-CB 4.38Å; N143-Q146 PolarHBondContact O-N 3.11Å; N143-Q146 VanDerWaalsContact O-N 3.09Å; P144-Q146 VanDerWaalsContact C-N 3.31Å; P144-Q146 PolarHBondContact O-N 3.26Å
147Y91.2Very high91Very high91 Ų9181.1 Ų81.136%0.35741%0.414SS..Hα-helixtrans-103.7-12.4-172.1-57.1-66.7000114L139 I140 N143L139-Y147 HydrophobicContact CG-CE2 4.18Å; I140-Y147 HydrophobicContact CG1-CD2 4.36Å; I140-Y147 HydrophobicContact CG1-CG 4.14Å; N143-Y147 HydrophobicContact CB-CD2 3.95Å; N143-Y147 HydrophobicContact CB-CE2 3.91Å; N143-Y147 WeakPolarHBondContact O-CD2 3.46Å; N143-Y147 PolarHBondContact O-N 3.35Å
148G90.1Very high90.7Very high33 Ų3382.9 Ų82.934%0.3443%0.425SS..  trans78.3174.7-170.400000113.1P144 L150P144-G148 WeakPolarHBondContact O-CA 3.45Å; P144-G148 PolarHBondContact O-N 3.43Å; G148-L150 PolarHBondContact O-N 2.82Å
149Q87.9Confident90.4Very high142 Ų14278.9 Ų78.966%0.66441%0.407SS*.SBendtrans-83.9101.7175-167.564.639.100109.5
150L87.7Confident90Very high57 Ų5779.2 Ų79.230%0.29841%0.409SS..  trans-111.5141.5176.4-59.5171.5000110.7I140 Q141 G148 N154I140-L150 HydrophobicContact CD1-CD1 4.13Å; I140-L150 HydrophobicContact CG2-CB 4.09Å; I140-L150 HydrophobicContact CG2-CD1 4.25Å; I140-L150 HydrophobicContact CG2-CG 4.43Å; Q141-L150 PolarHBondContact NE2-O 2.72Å; G148-L150 PolarHBondContact O-N 2.82Å; L150-N154 HydrophobicContact CB-CB 4.35Å; L150-N154 HydrophobicContact CD2-CB 4.19Å
151T89.4Confident89.5Confident66 Ų6682.7 Ų82.741%0.40543%0.425SS..  trans-83.1164.4168.661.70000110.1D153 N154 I155T151-D153 PolarHBondContact O-N 3.44Å; T151-N154 PolarHBondContact O-N 2.93Å; T151-N154 PolarHBondContact OG1-N 3.47Å; T151-N154 PolarHBondContact OG1-OD1 2.92Å; T151-I155 PolarHBondContact O-N 3.19Å
152I87.6Confident88.9Confident56 Ų5686.2 Ų86.229%0.28744%0.439SS..Hα-helixtrans-58.8-37.1172.8-171.462.4000111.6Y137 N154 I155 I156Y137-I152 HydrophobicContact CD2-CB 4.31Å; Y137-I152 HydrophobicContact CD2-CD1 4.21Å; Y137-I152 HydrophobicContact CE2-CB 4.34Å; Y137-I152 HydrophobicContact CG-CD1 4.08Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 3.35Å; I152-I155 WeakPolarHBondContact O-CB 3.42Å; I152-I155 PolarHBondContact O-N 3Å; I152-I155 VanDerWaalsContact O-N 3.11Å; I152-I156 HydrophobicContact CG1-CD1 3.97Å; I152-I156 HydrophobicContact CG1-CG1 4.41Å; I152-I156 WeakPolarHBondContact O-CG1 3.23Å; I152-I156 PolarHBondContact O-N 3.47Å
153D91Very high88.1Confident110 Ų11086.4 Ų86.459%0.58843%0.429SS*.Hα-helixtrans-62.1-41.1178.4-57.9-36.8000111.9T151 I155 I156 E157T151-D153 PolarHBondContact O-N 3.44Å; D153-I155 VanDerWaalsContact C-N 3.27Å; D153-I155 PolarHBondContact O-N 2.93Å; D153-I156 PolarHBondContact O-N 3.4Å; D153-E157 WeakPolarHBondContact O-CB 2.95Å; D153-E157 PolarHBondContact O-N 2.98Å
154N90.7Very high87.1Confident62 Ų6287 Ų8733%0.33243%0.433SS..Hα-helixtrans-61.4-39.3175.8-65.6-8.3000111.1L150 T151 I152 Q158L150-N154 HydrophobicContact CB-CB 4.35Å; L150-N154 HydrophobicContact CD2-CB 4.19Å; T151-N154 PolarHBondContact O-N 2.93Å; T151-N154 PolarHBondContact OG1-N 3.47Å; T151-N154 PolarHBondContact OG1-OD1 2.92Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 3.35Å; N154-Q158 WeakPolarHBondContact O-CG 3.27Å; N154-Q158 PolarHBondContact O-N 3.31Å; N154-Q158 VanDerWaalsContact O-N 3.16Å
155I89Confident87Confident7 Ų788.4 Ų88.44%0.03643%0.434CS..Hα-helixtrans-68.9-43.4178.4-60.1169.6000110.2L133 L136 Y137 I140 T151 I152 D153 E157 Q158 M159L133-I155 HydrophobicContact CD2-CG2 3.79Å; L136-I155 HydrophobicContact CD2-CG2 3.54Å; L136-I155 HydrophobicContact CG-CG2 4.07Å; Y137-I155 HydrophobicContact CD2-CD1 3.65Å; Y137-I155 HydrophobicContact CG-CD1 4.26Å; I140-I155 HydrophobicContact CD1-CD1 3.5Å; I140-I155 VanDerWaalsContact CD1-CD1 3.5Å; I140-I155 HydrophobicContact CD1-CG1 3.78Å; T151-I155 PolarHBondContact O-N 3.19Å; I152-I155 WeakPolarHBondContact O-CB 3.42Å; I152-I155 PolarHBondContact O-N 3Å; I152-I155 VanDerWaalsContact O-N 3.11Å; D153-I155 VanDerWaalsContact C-N 3.27Å; D153-I155 PolarHBondContact O-N 2.93Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-E157 PolarHBondContact O-N 3.49Å; I155-Q158 PolarHBondContact O-N 3.22Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 4.38Å; I155-M159 WeakPolarHBondContact O-CB 3.35Å; I155-M159 PolarHBondContact O-N 3.44Å
156I89.1Confident86.6Confident62 Ų6282.4 Ų82.432%0.31841%0.408SS..Hα-helixtrans-59.5-45.7176.4-69.7167.2000110.2L133 I152 D153 Q158 M159 N160L133-I156 HydrophobicContact CD1-CG1 4.38Å; L133-I156 HydrophobicContact CD2-CG1 4.02Å; I152-I156 HydrophobicContact CG1-CD1 3.97Å; I152-I156 HydrophobicContact CG1-CG1 4.41Å; I152-I156 WeakPolarHBondContact O-CG1 3.23Å; I152-I156 PolarHBondContact O-N 3.47Å; D153-I156 PolarHBondContact O-N 3.4Å; I156-Q158 VanDerWaalsContact C-N 3.33Å; I156-Q158 PolarHBondContact O-N 2.92Å; I156-M159 PolarHBondContact O-N 3.3Å; I156-N160 WeakPolarHBondContact O-CB 3.44Å; I156-N160 PolarHBondContact O-N 3.33Å; I156-N160 PolarHBondContact O-ND2 3.31Å; I156-N160 PolarHBondContact O-OD1 3.4Å
157E89.8Confident86.3Confident130 Ų13079.4 Ų79.461%0.60740%0.395SS*.Hα-helixtrans-57.9-44.7177.2-172.5-173.7163.800111.9D153 I155 N160D153-E157 WeakPolarHBondContact O-CB 2.95Å; D153-E157 PolarHBondContact O-N 2.98Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-E157 PolarHBondContact O-N 3.49Å; E157-N160 PolarHBondContact O-N 2.89Å
158Q87.1Confident86Confident123 Ų12378.7 Ų78.758%0.57540%0.397SS*.Hα-helixtrans-66.3-41.6176.7-67.3-59.2-44.900111.9N154 I155 I156 N160 H161 F162N154-Q158 WeakPolarHBondContact O-CG 3.27Å; N154-Q158 PolarHBondContact O-N 3.31Å; N154-Q158 VanDerWaalsContact O-N 3.16Å; I155-Q158 PolarHBondContact O-N 3.22Å; I156-Q158 VanDerWaalsContact C-N 3.33Å; I156-Q158 PolarHBondContact O-N 2.92Å; Q158-N160 VanDerWaalsContact C-N 3.33Å; Q158-N160 PolarHBondContact O-N 2.96Å; Q158-H161 WeakPolarHBondContact O-CB 3.06Å; Q158-H161 PolarHBondContact O-N 3.25Å; Q158-H161 VanDerWaalsContact O-N 3.15Å; Q158-F162 WeakPolarHBondContact O-CD2 3.42Å
159M85.7Confident85.7Confident24 Ų2481.6 Ų81.612%0.11840%0.401CS..Hα-helixtrans-66.6-34.9177.9-80.1-166.962.200112.5L133 L136 I155 I156 H161 F162 Y163L133-M159 HydrophobicContact CD2-CB 4.4Å; L133-M159 HydrophobicContact CD2-CE 4.16Å; L133-M159 HydrophobicContact CD2-CG 4.12Å; L133-M159 HydrophobicContact CD2-SD 3.12Å; L133-M159 WeakPolarHBondContact CD2-SD 3.47Å; L133-M159 HydrophobicContact CG-CE 3.88Å; L133-M159 HydrophobicContact CG-SD 3.48Å; L133-M159 WeakPolarHBondContact CG-SD 3.38Å; L136-M159 HydrophobicContact CD2-SD 4.28Å; I155-M159 HydrophobicContact CG2-CG 4.49Å; I155-M159 HydrophobicContact CG2-SD 4.38Å; I155-M159 WeakPolarHBondContact O-CB 3.35Å; I155-M159 PolarHBondContact O-N 3.44Å; I156-M159 PolarHBondContact O-N 3.3Å; M159-H161 PolarHBondContact O-N 2.98Å; M159-F162 PolarHBondContact O-N 2.91Å; M159-Y163 HydrophobicContact CB-CD2 4.15Å; M159-Y163 HydrophobicContact CE-CD2 3.63Å; M159-Y163 HydrophobicContact CE-CE2 3.29Å; M159-Y163 HydrophobicContact CG-CE2 4.48Å; M159-Y163 WeakPolarHBondContact O-CD2 3.35Å; M159-Y163 PolarHBondContact O-N 3.26Å
160N85.5Confident85.6Confident83 Ų8377.5 Ų77.544%0.44438%0.383SS..THydrogen-bonded Turntrans-58.8-19.4174.1-72.1-13.7000112.3K107 I156 E157 Q158 F162K107-N160 WeakPolarHBondContact CE-O 3.13Å; K107-N160 PolarHBondContact NZ-O 2.86Å; I156-N160 WeakPolarHBondContact O-CB 3.44Å; I156-N160 PolarHBondContact O-N 3.33Å; I156-N160 PolarHBondContact O-ND2 3.31Å; I156-N160 PolarHBondContact O-OD1 3.4Å; E157-N160 PolarHBondContact O-N 2.89Å; Q158-N160 VanDerWaalsContact C-N 3.33Å; Q158-N160 PolarHBondContact O-N 2.96Å; N160-F162 VanDerWaalsContact C-N 3.29Å
161H81.8Confident85.4Confident82 Ų8279 Ų7938%0.3839%0.389SS..THydrogen-bonded Turntrans-73.2-21173.4-163.978.6000113.5S103 K107 Q158 M159S103-H161 WeakPolarHBondContact CB-NE2 3.27Å; S103-H161 PolarHBondContact OG-CE1 3.15Å; S103-H161 VanDerWaalsContact OG-CE1 3.3Å; S103-H161 PolarHBondContact OG-NE2 3.04Å; S103-H161 VanDerWaalsContact OG-NE2 3.09Å; S103-H161 PolarHBondContact OG-O 3.39Å; S103-H161 VanDerWaalsContact OG-O 3.09Å; K107-H161 WeakPolarHBondContact CE-O 3.35Å; Q158-H161 WeakPolarHBondContact O-CB 3.06Å; Q158-H161 PolarHBondContact O-N 3.25Å; Q158-H161 VanDerWaalsContact O-N 3.15Å; M159-H161 PolarHBondContact O-N 2.98Å
162F78.7Confident85.1Confident140 Ų14080 Ų8061%0.61439%0.388SS*.THydrogen-bonded Turntrans-109.6-32.8-176.2-61.2-77.7000113.2Q158 M159 N160Q158-F162 WeakPolarHBondContact O-CD2 3.42Å; M159-F162 PolarHBondContact O-N 2.91Å; N160-F162 VanDerWaalsContact C-N 3.29Å
163Y78Confident84.9Confident75 Ų7582 Ų8229%0.29440%0.396SS..  trans-101.8-179.3-179.2-62.1-79.1000112.3L110 M159L110-Y163 HydrophobicContact CD2-CD1 4.37Å; M159-Y163 HydrophobicContact CB-CD2 4.15Å; M159-Y163 HydrophobicContact CE-CD2 3.63Å; M159-Y163 HydrophobicContact CE-CE2 3.29Å; M159-Y163 HydrophobicContact CG-CE2 4.48Å; M159-Y163 WeakPolarHBondContact O-CD2 3.35Å; M159-Y163 PolarHBondContact O-N 3.26Å
164L72.7Confident84.4Confident86 Ų8679.5 Ų79.545%0.4538%0.379SS..  trans-77.10-179.3-55.3179.2000112.4K107 L110 F111 F114K107-L164 VanDerWaalsContact O-CD2 3.29Å; K107-L164 WeakPolarHBondContact O-CD2 3.38Å; L110-L164 HydrophobicContact CB-CD2 3.97Å; L110-L164 HydrophobicContact CD2-CD2 4.28Å; L110-L164 HydrophobicContact CD2-CG 4.2Å; L110-L164 HydrophobicContact CG-CD1 4.33Å; L110-L164 HydrophobicContact CG-CD2 4.04Å; L110-L164 HydrophobicContact CG-CG 4.08Å; F111-L164 VanDerWaalsContact CA-CD2 3.41Å; F111-L164 HydrophobicContact CB-CD1 4.39Å; F111-L164 HydrophobicContact CB-CD2 3.54Å; F111-L164 HydrophobicContact CD2-CB 4.49Å; F111-L164 HydrophobicContact CD2-CD1 4.08Å; F111-L164 HydrophobicContact CD2-CD2 4.05Å; F111-L164 HydrophobicContact CD2-CG 4.43Å; F111-L164 HydrophobicContact CG-CD2 4.3Å; F111-L164 VanDerWaalsContact N-CD2 3.28Å; F114-L164 HydrophobicContact CB-CD1 3.31Å; F114-L164 HydrophobicContact CD1-CD1 3.88Å; F114-L164 HydrophobicContact CD2-CD1 4.17Å; F114-L164 HydrophobicContact CG-CD1 3.52Å

Retrieved 164 of 164 residues in 642.7 ms (Link to these results)

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