A0A087YBC1_POEFO Loading...

ECRG4 augurin precursor a

AlphaFold DB , UniProt , Accession A0A087YBC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 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
1M54.2Low58.8Low222 Ų222126.1 Ų126.1100%1.09467%0.667SS**  0150-73.2154.578.700113.8
2N54.8Low58.8Low138 Ų138131.6 Ų131.674%0.73867%0.672SS**  trans-103.1-7-171.1-60.3-2.5000114.6
3S57.8Low58.6Low93 Ų93129.6 Ų129.665%0.6566%0.663SS**Hα-helixtrans-80-39.2-175.4-1650000113.2C5 L6 Q7S3-C5 VanDerWaalsContact C-N 3.32Å; S3-C5 PolarHBondContact O-N 3.38Å; S3-L6 PolarHBondContact O-N 3.35Å; S3-Q7 PolarHBondContact O-N 3.07Å
4C58.3Low58.4Low94 Ų94125.4 Ų125.464%0.63565%0.65SS**Hα-helixtrans-64.9-29.8-179.6-84.80000114.4R8C4-R8 PolarHBondContact O-N 3.19Å
5C58.2Low58.4Low86 Ų86119.8 Ų119.858%0.58164%0.636SS**Hα-helixtrans-72.7-37.4-178.1-65.80000112S3 V9S3-C5 VanDerWaalsContact C-N 3.32Å; S3-C5 PolarHBondContact O-N 3.38Å; C5-V9 WeakPolarHBondContact O-CG2 3.45Å; C5-V9 PolarHBondContact O-N 3.27Å
6L59.1Low58.3Low125 Ų125123.7 Ų123.765%0.65464%0.641SS**Hα-helixtrans-71.4-39.1178.5-70.3175.4000111.8S3 R8 V9 L10S3-L6 PolarHBondContact O-N 3.35Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 2.75Å; L6-V9 PolarHBondContact O-N 3.49Å; L6-L10 PolarHBondContact O-N 2.78Å
7Q60.9Low58.3Low127 Ų127125.3 Ų125.359%0.59364%0.642SS**Hα-helixtrans-58.3-43.7176.3-161.1110-16.200111.8S3 V9 L10 E11S3-Q7 PolarHBondContact O-N 3.07Å; Q7-V9 PolarHBondContact O-N 2.98Å; Q7-L10 PolarHBondContact O-N 3.42Å; Q7-E11 PolarHBondContact O-N 3.02Å
8R60.1Low58.4Low160 Ų160125.7 Ų125.760%0.60464%0.642SS**Hα-helixtrans-70.9-30.2-178.9-161.5178.5-70.8166.3-3.7113.1C4 L6 R12C4-R8 PolarHBondContact O-N 3.19Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 2.75Å; R8-R12 WeakPolarHBondContact O-CG 3.4Å; R8-R12 PolarHBondContact O-N 3.03Å
9V62.1Low58.5Low82 Ų82121.7 Ų121.750%0.49763%0.63SS.*Hα-helixtrans-71.7-40173171.40000110.5C5 L6 Q7 R12 L13C5-V9 WeakPolarHBondContact O-CG2 3.45Å; C5-V9 PolarHBondContact O-N 3.27Å; L6-V9 PolarHBondContact O-N 3.49Å; Q7-V9 PolarHBondContact O-N 2.98Å; V9-R12 PolarHBondContact O-N 2.92Å; V9-L13 HydrophobicContact CG1-CD1 3.92Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 VanDerWaalsContact O-CG 3.27Å; V9-L13 WeakPolarHBondContact O-CG 3.36Å; V9-L13 PolarHBondContact O-N 2.84Å
10L60.8Low59Low128 Ų128118.2 Ų118.267%0.6762%0.616SS**Hα-helixtrans-68.2-38.9-179.9-134.5136.7000112.3L6 Q7 L13 S14L6-L10 PolarHBondContact O-N 2.78Å; Q7-L10 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-S14 WeakPolarHBondContact O-CB 3.39Å; L10-S14 PolarHBondContact O-N 2.98Å
11E60.3Low59.6Low132 Ų132118.3 Ų118.362%0.61761%0.614SS**Hα-helixtrans-64.6-40.6172.5-74.7-177.617600112.6Q7 S14 G15Q7-E11 PolarHBondContact O-N 3.02Å; E11-S14 PolarHBondContact O-N 2.87Å; E11-G15 PolarHBondContact O-N 2.93Å
12R59.2Low60.5Low192 Ų192113 Ų11373%0.72559%0.587SS**Hα-helixtrans-64.3-39.2174.3-77.9-175.4-176.8-141.11.2112.4R8 V9 S14 G15 Y16R8-R12 WeakPolarHBondContact O-CG 3.4Å; R8-R12 PolarHBondContact O-N 3.03Å; V9-R12 PolarHBondContact O-N 2.92Å; R12-S14 VanDerWaalsContact C-N 3.34Å; R12-G15 PolarHBondContact O-N 2.85Å; R12-Y16 WeakPolarHBondContact O-CB 3.02Å; R12-Y16 PolarHBondContact O-N 2.92Å
13L56.3Low61.7Low106 Ų106111.6 Ų111.656%0.55558%0.578SS**Hα-helixtrans-68.2-34.3176.1-70.9169.1000112.1V9 L10 K17V9-L13 HydrophobicContact CG1-CD1 3.92Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 VanDerWaalsContact O-CG 3.27Å; V9-L13 WeakPolarHBondContact O-CG 3.36Å; V9-L13 PolarHBondContact O-N 2.84Å; L10-L13 PolarHBondContact O-N 3.43Å; L13-K17 PolarHBondContact O-N 3.13Å
14S55.8Low62.8Low70 Ų70110.3 Ų110.349%0.4957%0.569SS.*Hα-helixtrans-67.3-44.9174.5-1720000112.1L10 E11 R12 Y16 K17 M18L10-S14 WeakPolarHBondContact O-CB 3.39Å; L10-S14 PolarHBondContact O-N 2.98Å; E11-S14 PolarHBondContact O-N 2.87Å; R12-S14 VanDerWaalsContact C-N 3.34Å; S14-Y16 VanDerWaalsContact C-N 3.32Å; S14-Y16 PolarHBondContact O-N 2.88Å; S14-K17 PolarHBondContact O-N 2.8Å; S14-M18 PolarHBondContact O-N 3.22Å
15G58.3Low64Low42 Ų42111.9 Ų111.943%0.43357%0.57SS.*Hα-helixtrans-62.6-36.6174.700000113.2E11 R12 K17 M18 A19E11-G15 PolarHBondContact O-N 2.93Å; R12-G15 PolarHBondContact O-N 2.85Å; G15-K17 VanDerWaalsContact C-N 3.34Å; G15-K17 PolarHBondContact O-N 3.37Å; G15-M18 PolarHBondContact O-N 3.42Å; G15-A19 WeakPolarHBondContact O-CB 3.06Å; G15-A19 PolarHBondContact O-N 3.43Å
16Y57.2Low65.3Low182 Ų182115.4 Ų115.471%0.71457%0.571SS**Hα-helixtrans-65.4-36.3176.6-152-91.6000112.3R12 S14 S20R12-Y16 WeakPolarHBondContact O-CB 3.02Å; R12-Y16 PolarHBondContact O-N 2.92Å; S14-Y16 VanDerWaalsContact C-N 3.32Å; S14-Y16 PolarHBondContact O-N 2.88Å; Y16-S20 WeakPolarHBondContact O-CB 3.39Å; Y16-S20 PolarHBondContact O-N 2.7Å
17K58.5Low66.7Low151 Ų151114 Ų11466%0.65757%0.568SS**Hα-helixtrans-65.6-44.5175.2-76.4-178.7176.6-179.20112.5L13 S14 G15 Q21L13-K17 PolarHBondContact O-N 3.13Å; S14-K17 PolarHBondContact O-N 2.8Å; G15-K17 VanDerWaalsContact C-N 3.34Å; G15-K17 PolarHBondContact O-N 3.37Å; K17-Q21 WeakPolarHBondContact O-CB 3.14Å; K17-Q21 VanDerWaalsContact O-CG 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.39Å; K17-Q21 PolarHBondContact O-N 3.14Å
18M59.1Low68Low133 Ų133113.3 Ų113.366%0.65557%0.567SS**Hα-helixtrans-67.4-42.9179.9-66.7-86.5-111.600111.8S14 G15 Q21 Q22S14-M18 PolarHBondContact O-N 3.22Å; G15-M18 PolarHBondContact O-N 3.42Å; M18-Q21 PolarHBondContact O-N 2.9Å; M18-Q22 PolarHBondContact O-N 3.17Å; M18-Q22 VanDerWaalsContact O-N 3.09Å
19A61.1Low69.4Low49 Ų49107.6 Ų107.641%0.40556%0.558SS.*Hα-helixtrans-67.7-40.3176.400000112.3G15 Q22 L23G15-A19 WeakPolarHBondContact O-CB 3.06Å; G15-A19 PolarHBondContact O-N 3.43Å; A19-Q22 PolarHBondContact O-N 3.11Å; A19-L23 WeakPolarHBondContact O-CB 3.47Å; A19-L23 VanDerWaalsContact O-CG 3.3Å; A19-L23 WeakPolarHBondContact O-CG 3.09Å; A19-L23 PolarHBondContact O-N 2.87Å
20S67.6Low70.7Confident52 Ų52109 Ų10936%0.36456%0.562SS.*Hα-helixtrans-64.6-39.5175.2-178.70000111.9Y16 L23 C24Y16-S20 WeakPolarHBondContact O-CB 3.39Å; Y16-S20 PolarHBondContact O-N 2.7Å; S20-L23 PolarHBondContact O-N 2.93Å; S20-C24 WeakPolarHBondContact O-CB 3.5Å; S20-C24 PolarHBondContact O-N 3.41Å; S20-C24 PolarHBondContact O-SG 3.28Å
21Q71.1Confident71.9Confident120 Ų120105.2 Ų105.256%0.56155%0.549SS*.Hα-helixtrans-64.2-43.8175.9-79.4176.8-20.800111.5K17 M18 L23 C24 L25K17-Q21 WeakPolarHBondContact O-CB 3.14Å; K17-Q21 VanDerWaalsContact O-CG 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.39Å; K17-Q21 PolarHBondContact O-N 3.14Å; M18-Q21 PolarHBondContact O-N 2.9Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.25Å; Q21-C24 PolarHBondContact O-N 3.4Å; Q21-L25 WeakPolarHBondContact O-CG 3.49Å; Q21-L25 PolarHBondContact O-N 2.91Å
22Q73.8Confident73.1Confident112 Ų112101.3 Ų101.352%0.52354%0.54SS..Hα-helixtrans-64.2-38.1177.1-166.71769.600112.3M18 A19 R26M18-Q22 PolarHBondContact O-N 3.17Å; M18-Q22 VanDerWaalsContact O-N 3.09Å; A19-Q22 PolarHBondContact O-N 3.11Å; Q22-R26 WeakPolarHBondContact O-CG 3.25Å; Q22-R26 PolarHBondContact O-N 3.03Å; Q22-R26 VanDerWaalsContact O-N 3.08Å
23L80.3Confident74.3Confident108 Ų10897.5 Ų97.557%0.56553%0.533SS*.Hα-helixtrans-66.2-44.7173.3-72.9167.4000111.7A19 S20 Q21 L25 R26 V27A19-L23 WeakPolarHBondContact O-CB 3.47Å; A19-L23 VanDerWaalsContact O-CG 3.3Å; A19-L23 WeakPolarHBondContact O-CG 3.09Å; A19-L23 PolarHBondContact O-N 2.87Å; S20-L23 PolarHBondContact O-N 2.93Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-L23 PolarHBondContact O-N 3.25Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.04Å; L23-R26 PolarHBondContact O-N 3.4Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.34Å; L23-V27 PolarHBondContact O-N 2.84Å
24C81.1Confident75.6Confident66 Ų6697.8 Ų97.845%0.44653%0.534SS..Hα-helixtrans-59.8-43.9175.8-71.70000111.8S20 Q21 R26 V27 I28S20-C24 WeakPolarHBondContact O-CB 3.5Å; S20-C24 PolarHBondContact O-N 3.41Å; S20-C24 PolarHBondContact O-SG 3.28Å; Q21-C24 PolarHBondContact O-N 3.4Å; C24-R26 VanDerWaalsContact C-N 3.34Å; C24-R26 PolarHBondContact O-N 3.06Å; C24-V27 PolarHBondContact O-N 3Å; C24-I28 WeakPolarHBondContact O-CB 3.5Å; C24-I28 WeakPolarHBondContact O-CD1 3.37Å; C24-I28 WeakPolarHBondContact O-CG1 3.43Å; C24-I28 PolarHBondContact O-N 3.18Å
25L83.7Confident76.7Confident126 Ų12698.4 Ų98.466%0.6654%0.535SS*.Hα-helixtrans-62.9-39.7176.8-69.3175.3000112Q21 L23 G29Q21-L25 WeakPolarHBondContact O-CG 3.49Å; Q21-L25 PolarHBondContact O-N 2.91Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 3.04Å; L25-G29 PolarHBondContact O-N 2.82Å
26R85.3Confident77.5Confident160 Ų160102.7 Ų102.760%0.60455%0.548SS*.Hα-helixtrans-65.7-43.5175.5-74.2-178.8179.7-160.82.1112.2Q22 L23 C24 G29 L30Q22-R26 WeakPolarHBondContact O-CG 3.25Å; Q22-R26 PolarHBondContact O-N 3.03Å; Q22-R26 VanDerWaalsContact O-N 3.08Å; L23-R26 PolarHBondContact O-N 3.4Å; C24-R26 VanDerWaalsContact C-N 3.34Å; C24-R26 PolarHBondContact O-N 3.06Å; R26-G29 PolarHBondContact O-N 3.34Å; R26-L30 WeakPolarHBondContact O-CG 3.47Å; R26-L30 PolarHBondContact O-N 3.21Å
27V88.3Confident78.3Confident97 Ų9797.9 Ų97.959%0.58854%0.537SS*.Hα-helixtrans-65.5-42178172.90000111L23 C24 L30 A31L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.34Å; L23-V27 PolarHBondContact O-N 2.84Å; C24-V27 PolarHBondContact O-N 3Å; V27-L30 PolarHBondContact O-N 3.47Å; V27-A31 WeakPolarHBondContact O-CB 3.46Å; V27-A31 PolarHBondContact O-N 2.87Å
28I88.3Confident78.8Confident111 Ų11194.7 Ų94.757%0.56953%0.531SS*.Hα-helixtrans-62.7-43175.4-68.4163000110.7C24 A31 A32C24-I28 WeakPolarHBondContact O-CB 3.5Å; C24-I28 WeakPolarHBondContact O-CD1 3.37Å; C24-I28 WeakPolarHBondContact O-CG1 3.43Å; C24-I28 PolarHBondContact O-N 3.18Å; I28-A31 PolarHBondContact O-N 3.39Å; I28-A32 WeakPolarHBondContact O-CB 3.49Å; I28-A32 PolarHBondContact O-N 3.31Å
29G89.9Confident78.9Confident41 Ų4195 Ų9542%0.42353%0.534SS..Hα-helixtrans-61.9-43.4176.200000113.1L25 R26 A32 L33L25-G29 PolarHBondContact O-N 2.82Å; R26-G29 PolarHBondContact O-N 3.34Å; G29-A32 PolarHBondContact O-N 3.3Å; G29-L33 PolarHBondContact O-N 3.46Å
30L88.6Confident78.7Confident111 Ų11194.6 Ų94.658%0.58154%0.535SS*.Hα-helixtrans-65.6-42.2175.8-71.4173.5000112R26 V27 L33 L34R26-L30 WeakPolarHBondContact O-CG 3.47Å; R26-L30 PolarHBondContact O-N 3.21Å; V27-L30 PolarHBondContact O-N 3.47Å; L30-L33 PolarHBondContact O-N 2.86Å; L30-L34 WeakPolarHBondContact O-CB 3Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.45Å
31A85.5Confident78Confident49 Ų4997.5 Ų97.541%0.40555%0.547SS..Hα-helixtrans-62.5-43.2175.900000111.3V27 I28 L33 L34 T35V27-A31 WeakPolarHBondContact O-CB 3.46Å; V27-A31 PolarHBondContact O-N 2.87Å; I28-A31 PolarHBondContact O-N 3.39Å; A31-L33 PolarHBondContact O-N 3.18Å; A31-L34 PolarHBondContact O-N 2.92Å; A31-T35 WeakPolarHBondContact O-CG2 3.19Å; A31-T35 PolarHBondContact O-N 3.31Å; A31-T35 PolarHBondContact O-OG1 2.85Å
32A86.2Confident77.2Confident50 Ų5096.9 Ų96.941%0.41355%0.551SS.*Hα-helixtrans-60.9-45.2175.600000111.7I28 G29 L34 T35 L36I28-A32 WeakPolarHBondContact O-CB 3.49Å; I28-A32 PolarHBondContact O-N 3.31Å; G29-A32 PolarHBondContact O-N 3.3Å; A32-L34 PolarHBondContact O-N 3.48Å; A32-T35 WeakPolarHBondContact CA-OG1 3.32Å; A32-T35 PolarHBondContact O-N 2.67Å; A32-T35 PolarHBondContact O-OG1 3.49Å; A32-L36 PolarHBondContact O-N 3.36Å
33L84.8Confident76.1Confident111 Ų11195.3 Ų95.358%0.58155%0.552SS**Hα-helixtrans-59.8-46.3176.7-162.889.4000111.5G29 L30 A31 T35 L36 T37G29-L33 PolarHBondContact O-N 3.46Å; L30-L33 PolarHBondContact O-N 2.86Å; A31-L33 PolarHBondContact O-N 3.18Å; L33-T35 PolarHBondContact O-N 3.31Å; L33-L36 PolarHBondContact O-N 2.94Å; L33-L36 VanDerWaalsContact O-N 3.17Å; L33-T37 WeakPolarHBondContact O-CG2 3.49Å; L33-T37 PolarHBondContact O-N 3.19Å; L33-T37 PolarHBondContact O-OG1 3.5Å
34L83.5Confident74.9Confident112 Ų11292.2 Ų92.259%0.58654%0.539SS*.Hα-helixtrans-63.7-38.4177.8-73.9166.8000112.4L30 A31 A32 L36 T37 T38L30-L34 WeakPolarHBondContact O-CB 3Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.45Å; A31-L34 PolarHBondContact O-N 2.92Å; A32-L34 PolarHBondContact O-N 3.48Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-T37 WeakPolarHBondContact CA-OG1 3.37Å; L34-T37 PolarHBondContact O-OG1 2.87Å; L34-T38 WeakPolarHBondContact O-CB 3.27Å; L34-T38 VanDerWaalsContact O-CG2 3.3Å; L34-T38 WeakPolarHBondContact O-CG2 3.32Å; L34-T38 PolarHBondContact O-N 3.31Å; L34-T38 VanDerWaalsContact O-N 3.08Å; L34-T38 PolarHBondContact O-OG1 2.98Å
35T78.2Confident73.8Confident83 Ų8395.5 Ų95.551%0.50955%0.548SS..Hα-helixtrans-66.9-36.4173.956.10000111.7A31 A32 L33 T38 L39A31-T35 WeakPolarHBondContact O-CG2 3.19Å; A31-T35 PolarHBondContact O-N 3.31Å; A31-T35 PolarHBondContact O-OG1 2.85Å; A32-T35 WeakPolarHBondContact CA-OG1 3.32Å; A32-T35 PolarHBondContact O-N 2.67Å; A32-T35 PolarHBondContact O-OG1 3.49Å; L33-T35 PolarHBondContact O-N 3.31Å; T35-T38 WeakPolarHBondContact CA-OG1 3.31Å; T35-T38 PolarHBondContact O-OG1 2.86Å; T35-L39 VanDerWaalsContact O-CB 3.32Å; T35-L39 WeakPolarHBondContact O-CB 3.44Å; T35-L39 PolarHBondContact O-N 3.29Å
36L76.1Confident72.9Confident133 Ų13392.6 Ų92.670%0.69654%0.538SS*.Hα-helixtrans-69.3-39.3178.5-136.773.7000112.1A32 L33 L34 G40A32-L36 PolarHBondContact O-N 3.36Å; L33-L36 PolarHBondContact O-N 2.94Å; L33-L36 VanDerWaalsContact O-N 3.17Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L36-G40 PolarHBondContact O-N 3.06Å
37T73.4Confident72Confident80 Ų8089.8 Ų89.849%0.49154%0.535SS..Hα-helixtrans-70-38.8178.154.90000111.9L33 L34 D41L33-T37 WeakPolarHBondContact O-CG2 3.49Å; L33-T37 PolarHBondContact O-N 3.19Å; L33-T37 PolarHBondContact O-OG1 3.5Å; L34-T37 WeakPolarHBondContact CA-OG1 3.37Å; L34-T37 PolarHBondContact O-OG1 2.87Å; T37-D41 PolarHBondContact O-N 3.26Å
38T69.8Low70.8Confident85 Ų8589.8 Ų89.852%0.52153%0.531SS..Hα-helixtrans-74.5-36.817952.20000113.3L34 T35L34-T38 WeakPolarHBondContact O-CB 3.27Å; L34-T38 VanDerWaalsContact O-CG2 3.3Å; L34-T38 WeakPolarHBondContact O-CG2 3.32Å; L34-T38 PolarHBondContact O-N 3.31Å; L34-T38 VanDerWaalsContact O-N 3.08Å; L34-T38 PolarHBondContact O-OG1 2.98Å; T35-T38 WeakPolarHBondContact CA-OG1 3.31Å; T35-T38 PolarHBondContact O-OG1 2.86Å
39L59.8Low69.8Low138 Ų13890.9 Ų90.972%0.72353%0.534SS*.Hα-helixtrans-76.3-30.4175.7-131.671.3000112.5T35 S43T35-L39 VanDerWaalsContact O-CB 3.32Å; T35-L39 WeakPolarHBondContact O-CB 3.44Å; T35-L39 PolarHBondContact O-N 3.29Å; L39-S43 PolarHBondContact O-N 3.24Å
40G58.6Low68.9Low41 Ų4196.2 Ų96.242%0.42355%0.545SS..Hα-helixtrans-66.1-37175.300000113.2L36 S44L36-G40 PolarHBondContact O-N 3.06Å; G40-S44 PolarHBondContact O-N 3.25Å
41D51.8Low68Low114 Ų11494.4 Ų94.461%0.6154%0.535SS*.Hα-helixtrans-64.6-46.1179.2-120.6-5.4000111.5T37 S43 S44T37-D41 PolarHBondContact O-N 3.26Å; D41-S43 PolarHBondContact O-N 3.47Å; D41-S44 PolarHBondContact O-N 3.48Å; D41-S44 PolarHBondContact O-OG 3.39Å
42V55.4Low67.2Low107 Ų10797 Ų9765%0.64854%0.542SS*.Hα-helixtrans-68.1-33.2-177.7178.70000112.8S44V42-S44 VanDerWaalsContact C-N 3.34Å
43S49.5Very low66.3Low78 Ų7899 Ų9955%0.54555%0.549SS..Hα-helixtrans-70.6-31.6177-174.70000112.3L39 D41L39-S43 PolarHBondContact O-N 3.24Å; D41-S43 PolarHBondContact O-N 3.47Å
44S56.3Low65.4Low43 Ų43101.5 Ų101.530%0.30156%0.555SS.*Hα-helixtrans-73.6-35.6-175.479.60000113.3G40 D41 V42 S46 L47 L48G40-S44 PolarHBondContact O-N 3.25Å; D41-S44 PolarHBondContact O-N 3.48Å; D41-S44 PolarHBondContact O-OG 3.39Å; V42-S44 VanDerWaalsContact C-N 3.34Å; S44-S46 PolarHBondContact O-N 3.47Å; S44-L47 PolarHBondContact O-N 3.2Å; S44-L48 VanDerWaalsContact O-CB 3.31Å; S44-L48 WeakPolarHBondContact O-CB 3.33Å; S44-L48 WeakPolarHBondContact O-CG 3.02Å; S44-L48 PolarHBondContact O-N 2.74Å
45E57.6Low64.2Low136 Ų136104.4 Ų104.464%0.63656%0.558SS**Hα-helixtrans-61.1-45.4-174.7-70.4-169.4152.500112.3L47 Q49E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.41Å; E45-Q49 WeakPolarHBondContact O-CB 3.25Å; E45-Q49 PolarHBondContact O-N 3.17Å
46S63.4Low63.1Low65 Ų65105 Ų10546%0.45556%0.558SS.*Hα-helixtrans-70.8-29-178.975.50000113.6S44 K50S44-S46 PolarHBondContact O-N 3.47Å; S46-K50 WeakPolarHBondContact O-CB 3.42Å; S46-K50 VanDerWaalsContact O-CG 3.27Å; S46-K50 WeakPolarHBondContact O-CG 3.36Å; S46-K50 PolarHBondContact O-N 2.78Å
47L67.6Low62.1Low100 Ų100101.8 Ų101.852%0.52455%0.551SS.*Hα-helixtrans-81.3-40.3179.8-150.7156.9000110.1S44 E45 K50 I51S44-L47 PolarHBondContact O-N 3.2Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.41Å; L47-K50 PolarHBondContact O-N 3.44Å; L47-I51 HydrophobicContact CD2-CD1 3.45Å; L47-I51 VanDerWaalsContact CD2-CD1 3.45Å; L47-I51 HydrophobicContact CD2-CG1 4.08Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.36Å; L47-I51 PolarHBondContact O-N 2.93Å
48L63.1Low61.1Low97 Ų97101.1 Ų101.151%0.50855%0.553SS.*Hα-helixtrans-62.6-45.5170.8-70.7174.6000111.5S44 K50 I51 L52S44-L48 VanDerWaalsContact O-CB 3.31Å; S44-L48 WeakPolarHBondContact O-CB 3.33Å; S44-L48 WeakPolarHBondContact O-CG 3.02Å; S44-L48 PolarHBondContact O-N 2.74Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3Å; L48-I51 PolarHBondContact O-N 2.89Å; L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 2.82Å
49Q67.1Low60.1Low134 Ų134102.5 Ų102.563%0.62655%0.554SS**Hα-helixtrans-59.2-44.2173.6-109.9-178.4-4.300111.6E45 I51 L52 V53E45-Q49 WeakPolarHBondContact O-CB 3.25Å; E45-Q49 PolarHBondContact O-N 3.17Å; Q49-I51 VanDerWaalsContact C-N 3.33Å; Q49-I51 PolarHBondContact O-N 3.45Å; Q49-L52 PolarHBondContact O-N 2.91Å; Q49-V53 WeakPolarHBondContact O-CB 3.21Å; Q49-V53 VanDerWaalsContact O-CG2 3.25Å; Q49-V53 WeakPolarHBondContact O-CG2 3.26Å; Q49-V53 PolarHBondContact O-N 2.94Å
50K69.8Low59.5Low154 Ų154100 Ų10067%0.6755%0.553SS**Hα-helixtrans-63.2-37.6175.6-80.7175.2176.9177.50112.4S46 L47 L48 K54S46-K50 WeakPolarHBondContact O-CB 3.42Å; S46-K50 VanDerWaalsContact O-CG 3.27Å; S46-K50 WeakPolarHBondContact O-CG 3.36Å; S46-K50 PolarHBondContact O-N 2.78Å; L47-K50 PolarHBondContact O-N 3.44Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3Å; K50-K54 WeakPolarHBondContact O-CB 3.37Å; K50-K54 PolarHBondContact O-N 3.32Å
51I71.4Confident58.9Low73 Ų73106.6 Ų106.637%0.37457%0.573SS.*Hα-helixtrans-68.8-41.3176-70.5168.5000111.1L47 L48 Q49 R55L47-I51 HydrophobicContact CD2-CD1 3.45Å; L47-I51 VanDerWaalsContact CD2-CD1 3.45Å; L47-I51 HydrophobicContact CD2-CG1 4.08Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.36Å; L47-I51 PolarHBondContact O-N 2.93Å; L48-I51 PolarHBondContact O-N 2.89Å; Q49-I51 VanDerWaalsContact C-N 3.33Å; Q49-I51 PolarHBondContact O-N 3.45Å; I51-R55 WeakPolarHBondContact O-CB 3.47Å; I51-R55 PolarHBondContact O-N 2.87Å
52L67.6Low58.5Low103 Ų103108.6 Ų108.654%0.53958%0.578SS.*Hα-helixtrans-67.4-47.7177.8-72.4170.3000111.3L48 Q49 K54 R55 N56L48-L52 WeakPolarHBondContact O-CB 3.36Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 2.82Å; Q49-L52 PolarHBondContact O-N 2.91Å; L52-K54 VanDerWaalsContact C-N 3.35Å; L52-K54 PolarHBondContact O-N 3.32Å; L52-R55 PolarHBondContact O-N 2.95Å; L52-N56 WeakPolarHBondContact O-CB 3.38Å; L52-N56 PolarHBondContact O-N 3.38Å; L52-N56 PolarHBondContact O-ND2 2.97Å; L52-N56 PolarHBondContact O-OD1 3.41Å
53V67.3Low57.8Low93 Ų93107.7 Ų107.756%0.56458%0.582SS**Hα-helixtrans-63.5-40.8176.1172.70000111.1Q49 R55 N56 A57Q49-V53 WeakPolarHBondContact O-CB 3.21Å; Q49-V53 VanDerWaalsContact O-CG2 3.25Å; Q49-V53 WeakPolarHBondContact O-CG2 3.26Å; Q49-V53 PolarHBondContact O-N 2.94Å; V53-R55 VanDerWaalsContact C-N 3.32Å; V53-R55 PolarHBondContact O-N 3.49Å; V53-N56 PolarHBondContact O-N 2.91Å; V53-A57 WeakPolarHBondContact O-CB 3.44Å; V53-A57 PolarHBondContact O-N 2.68Å
54K66.3Low57.4Low163 Ų163107.8 Ų107.871%0.70958%0.58SS**Hα-helixtrans-66-33.1175.9-176.5172.7177.4179.40112.5K50 L52 A58K50-K54 WeakPolarHBondContact O-CB 3.37Å; K50-K54 PolarHBondContact O-N 3.32Å; L52-K54 VanDerWaalsContact C-N 3.35Å; L52-K54 PolarHBondContact O-N 3.32Å; K54-A58 WeakPolarHBondContact O-CB 3.45Å; K54-A58 PolarHBondContact O-N 3.32Å
55R58.7Low56.8Low173 Ų173111 Ų11165%0.65360%0.603SS**Hα-helixtrans-69.4-45.4170.8-92-171.4156.693.8-0.1111.9I51 L52 V53 A57 A58 E59I51-R55 WeakPolarHBondContact O-CB 3.47Å; I51-R55 PolarHBondContact O-N 2.87Å; L52-R55 PolarHBondContact O-N 2.95Å; V53-R55 VanDerWaalsContact C-N 3.32Å; V53-R55 PolarHBondContact O-N 3.49Å; R55-A57 VanDerWaalsContact C-N 3.3Å; R55-A57 PolarHBondContact O-N 3.04Å; R55-A58 PolarHBondContact O-N 3.11Å; R55-E59 WeakPolarHBondContact O-CB 3.32Å; R55-E59 PolarHBondContact O-N 3.29Å
56N55.8Low56.3Low96 Ų96114.5 Ų114.551%0.51362%0.616SS.*Hα-helixtrans-63.8-35.6178.6-63.1-16.9000112.1L52 V53 E59 A60L52-N56 WeakPolarHBondContact O-CB 3.38Å; L52-N56 PolarHBondContact O-N 3.38Å; L52-N56 PolarHBondContact O-ND2 2.97Å; L52-N56 PolarHBondContact O-OD1 3.41Å; V53-N56 PolarHBondContact O-N 2.91Å; N56-E59 PolarHBondContact O-N 3.45Å; N56-A60 PolarHBondContact O-N 3.38Å
57A54.2Low55.5Low65 Ų65115 Ų11554%0.53762%0.62SS.*Hα-helixtrans-71.8-35175.600000112.4V53 R55 E59 A60V53-A57 WeakPolarHBondContact O-CB 3.44Å; V53-A57 PolarHBondContact O-N 2.68Å; R55-A57 VanDerWaalsContact C-N 3.3Å; R55-A57 PolarHBondContact O-N 3.04Å; A57-E59 VanDerWaalsContact C-N 3.29Å; A57-A60 PolarHBondContact O-N 2.88Å
58A52.3Low54.7Low65 Ų65116 Ų11654%0.53764%0.635SS.*Hα-helixtrans-72.6-22.4172.500000112.9K54 R55 H62K54-A58 WeakPolarHBondContact O-CB 3.45Å; K54-A58 PolarHBondContact O-N 3.32Å; R55-A58 PolarHBondContact O-N 3.11Å; A58-H62 PolarHBondContact O-N 2.58Å
59E48.1Very low54.3Low114 Ų114116.8 Ų116.853%0.53364%0.644SS.*Hα-helixtrans-82.2-17.6175.8-164.7166.5-174.100112.9R55 N56 A57 H62R55-E59 WeakPolarHBondContact O-CB 3.32Å; R55-E59 PolarHBondContact O-N 3.29Å; N56-E59 PolarHBondContact O-N 3.45Å; A57-E59 VanDerWaalsContact C-N 3.29Å; E59-H62 CarbonylContact O-C 3.28Å
60A48.3Very low54Low86 Ų86114.6 Ų114.671%0.71165%0.649SS**Hα-helixtrans-77.4-25174.400000113.6N56 A57N56-A60 PolarHBondContact O-N 3.38Å; A57-A60 PolarHBondContact O-N 2.88Å
61E45.4Very low53.7Low180 Ų180111.7 Ų111.784%0.84164%0.639SS**Hα-helixtrans-99.3-16.6174.8-75.6-146.5144.900114.2
62H42.8Very low53.9Low156 Ų156111.9 Ų111.972%0.72265%0.645SS**  trans-126.478.4172.3-91.2-60.3000109.9A58 E59 P64A58-H62 PolarHBondContact O-N 2.58Å; E59-H62 CarbonylContact O-C 3.28Å; H62-P64 WeakPolarHBondContact O-CD 3.43Å
63A41.3Very low53.9Low87 Ų87111.2 Ų111.272%0.71965%0.649SS**  trans-55.7107.9162.500000108.6S65A63-S65 PolarHBondContact O-N 3.26Å; A63-S65 VanDerWaalsContact O-N 3.11Å
64P40.6Very low54.3Low80 Ų80110.1 Ų110.152%0.51965%0.646SS.*  trans-79105.7171.919.3-3.1000105.2H62 K66H62-P64 WeakPolarHBondContact O-CD 3.43Å; P64-K66 PolarHBondContact O-N 2.99Å
65S43.4Very low54.9Low111 Ų111107.5 Ų107.578%0.77664%0.635SS**THydrogen-bonded Turntrans-37.3105163.742.30000110.4A63 S67A63-S65 PolarHBondContact O-N 3.26Å; A63-S65 VanDerWaalsContact O-N 3.11Å; S65-S67 VanDerWaalsContact C-N 3.3Å; S65-S67 PolarHBondContact O-N 3.07Å
66K48.4Very low55.7Low210 Ų210101 Ų10191%0.91362%0.618SS**THydrogen-bonded Turntrans26.465.5165.4-65.7177.2-179.1172.40112.1P64 S68P64-K66 PolarHBondContact O-N 2.99Å; K66-S68 PolarHBondContact O-N 3.45Å
67S45Very low56.4Low76 Ų76102.5 Ų102.553%0.53162%0.622SS.*  trans-66.1110.4178.272.70000107.6S65 V69S65-S67 VanDerWaalsContact C-N 3.3Å; S65-S67 PolarHBondContact O-N 3.07Å; S67-V69 PolarHBondContact O-N 3.39Å; S67-V69 WeakPolarHBondContact OG-CG2 3.32Å
68S51.8Low57.6Low121 Ų121105.5 Ų105.585%0.84662%0.624SS**  trans-48.270.7156.4168.70000110.5K66K66-S68 PolarHBondContact O-N 3.45Å
69V55.2Low58.7Low113 Ų113108 Ų10869%0.68562%0.624SS**  trans-102.9-15.7176.2171.30000110.4S67 I71S67-V69 PolarHBondContact O-N 3.39Å; S67-V69 WeakPolarHBondContact OG-CG2 3.32Å; V69-I71 PolarHBondContact O-N 2.81Å; V69-I71 VanDerWaalsContact O-N 3.14Å
70A60.6Low59.6Low88 Ų88108.3 Ų108.373%0.72763%0.628SS**SBendtrans-74.1104.316800000109.2
71I62.9Low60.3Low92 Ų92107.2 Ų107.247%0.47262%0.619SS.*  trans-51.9128.6165.6-62172.6000107.2V69 S73 K75 A76 F79V69-I71 PolarHBondContact O-N 2.81Å; V69-I71 VanDerWaalsContact O-N 3.14Å; I71-S73 PolarHBondContact O-N 3.24Å; I71-K75 HydrophobicContact CG2-CB 3.61Å; I71-K75 HydrophobicContact CG2-CD 4.1Å; I71-K75 HydrophobicContact CG2-CG 3.73Å; I71-A76 HydrophobicContact CG2-CB 4.37Å; I71-F79 HydrophobicContact CD1-CE2 4.36Å
72P75.1Confident61.2Low78 Ų78107.9 Ų107.951%0.50662%0.619SS.*  trans-58.2139.9178.722.4-31.4000109.7S74 K75 A76P72-S74 PolarHBondContact O-N 2.86Å; P72-K75 HydrophobicContact CG-CB 3.94Å; P72-K75 WeakPolarHBondContact O-CA 3.4Å; P72-K75 WeakPolarHBondContact O-CB 3.42Å; P72-K75 PolarHBondContact O-N 3.42Å; P72-A76 PolarHBondContact O-N 2.94Å
73S69.4Low61.8Low88 Ų88107.2 Ų107.262%0.61562%0.62SS**Hα-helixtrans-51.2-32.7-173.5-174.90000113.5I71 A76 Q77I71-S73 PolarHBondContact O-N 3.24Å; S73-A76 PolarHBondContact O-N 3.33Å; S73-Q77 WeakPolarHBondContact O-CB 3.48Å; S73-Q77 PolarHBondContact O-N 2.91Å
74S75.6Confident62.5Low71 Ų71107.4 Ų107.450%0.49762%0.616SS.*Hα-helixtrans-60.8-46.9174.250.60000112.4P72 Q77 E78P72-S74 PolarHBondContact O-N 2.86Å; S74-Q77 WeakPolarHBondContact O-CB 3.47Å; S74-Q77 PolarHBondContact O-N 3.16Å; S74-E78 WeakPolarHBondContact O-CG 3.23Å; S74-E78 PolarHBondContact O-N 2.97Å
75K78.1Confident63.3Low108 Ų108113.6 Ų113.647%0.4763%0.629SS.*Hα-helixtrans-70.7-32.1177.8-171.8168.4-174.3171.80112I71 P72 E78 F79I71-K75 HydrophobicContact CG2-CB 3.61Å; I71-K75 HydrophobicContact CG2-CD 4.1Å; I71-K75 HydrophobicContact CG2-CG 3.73Å; P72-K75 HydrophobicContact CG-CB 3.94Å; P72-K75 WeakPolarHBondContact O-CA 3.4Å; P72-K75 WeakPolarHBondContact O-CB 3.42Å; P72-K75 PolarHBondContact O-N 3.42Å; K75-E78 PolarHBondContact O-N 2.92Å; K75-F79 HydrophobicContact CG-CE2 3.96Å; K75-F79 WeakPolarHBondContact O-CD2 3.37Å; K75-F79 PolarHBondContact O-N 2.8Å
76A76.1Confident64Low37 Ų37112.8 Ų112.831%0.30662%0.62SS.*Hα-helixtrans-66.4-40.5171.300000112I71 P72 S73 E78 F79 L80I71-A76 HydrophobicContact CG2-CB 4.37Å; P72-A76 PolarHBondContact O-N 2.94Å; S73-A76 PolarHBondContact O-N 3.33Å; A76-E78 VanDerWaalsContact C-N 3.33Å; A76-E78 PolarHBondContact O-N 3.39Å; A76-F79 WeakPolarHBondContact O-CB 3.48Å; A76-F79 PolarHBondContact O-N 3.16Å; A76-L80 WeakPolarHBondContact O-CG 3.23Å; A76-L80 PolarHBondContact O-N 3.41Å
77Q70.1Confident64.5Low126 Ų126110.9 Ų110.959%0.58961%0.612SS**Hα-helixtrans-64.1-35.4173.2-85.2179.3-18.200112.4S73 S74 F79 L80 A81S73-Q77 WeakPolarHBondContact O-CB 3.48Å; S73-Q77 PolarHBondContact O-N 2.91Å; S74-Q77 WeakPolarHBondContact O-CB 3.47Å; S74-Q77 PolarHBondContact O-N 3.16Å; Q77-F79 VanDerWaalsContact C-N 3.33Å; Q77-F79 PolarHBondContact O-N 2.99Å; Q77-L80 PolarHBondContact O-N 3.08Å; Q77-A81 WeakPolarHBondContact O-CB 3.36Å; Q77-A81 PolarHBondContact O-N 3.27Å
78E79.2Confident65.4Low128 Ų128115.5 Ų115.560%0.59862%0.617SS**Hα-helixtrans-62.3-39173.3-71.9169.4-16800112.3S74 K75 A76 K82S74-E78 WeakPolarHBondContact O-CG 3.23Å; S74-E78 PolarHBondContact O-N 2.97Å; K75-E78 PolarHBondContact O-N 2.92Å; A76-E78 VanDerWaalsContact C-N 3.33Å; A76-E78 PolarHBondContact O-N 3.39Å; E78-K82 VanDerWaalsContact O-CB 3.32Å; E78-K82 WeakPolarHBondContact O-CB 3.3Å; E78-K82 PolarHBondContact O-N 3.13Å
79F74.5Confident66.2Low118 Ų118114.9 Ų114.952%0.51861%0.605SS.*Hα-helixtrans-64.7-43.4173.2-73.2-67.7000111.9I71 K75 A76 Q77 L83I71-F79 HydrophobicContact CD1-CE2 4.36Å; K75-F79 HydrophobicContact CG-CE2 3.96Å; K75-F79 WeakPolarHBondContact O-CD2 3.37Å; K75-F79 PolarHBondContact O-N 2.8Å; A76-F79 WeakPolarHBondContact O-CB 3.48Å; A76-F79 PolarHBondContact O-N 3.16Å; Q77-F79 VanDerWaalsContact C-N 3.33Å; Q77-F79 PolarHBondContact O-N 2.99Å; F79-L83 WeakPolarHBondContact O-CB 3.31Å; F79-L83 PolarHBondContact O-N 3.39Å
80L68.4Low66.9Low121 Ų121113.9 Ų113.963%0.63460%0.599SS**Hα-helixtrans-70.3-35177.9-65.6176.9000112.6A76 Q77 L83 S84A76-L80 WeakPolarHBondContact O-CG 3.23Å; A76-L80 PolarHBondContact O-N 3.41Å; Q77-L80 PolarHBondContact O-N 3.08Å; L80-L83 CarbonylContact O-C 3.58Å; L80-L83 VanDerWaalsContact O-C 3.28Å; L80-L83 PolarHBondContact O-N 3.03Å; L80-S84 PolarHBondContact O-N 3.33Å
81A63.5Low67.6Low63 Ų63117.6 Ų117.652%0.52159%0.594SS.*Hα-helixtrans-67.1-42.8176.500000110.8Q77 L83 S84Q77-A81 WeakPolarHBondContact O-CB 3.36Å; Q77-A81 PolarHBondContact O-N 3.27Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 PolarHBondContact O-N 2.98Å; A81-S84 WeakPolarHBondContact O-CB 3.39Å; A81-S84 PolarHBondContact O-N 3.36Å; A81-S84 PolarHBondContact O-OG 3.05Å
82K63.4Low68.5Low194 Ų194116.5 Ų116.584%0.84359%0.589SS**Hα-helixtrans-67-28.2174.6-164174.8-175.7178.80112.5E78E78-K82 VanDerWaalsContact O-CB 3.32Å; E78-K82 WeakPolarHBondContact O-CB 3.3Å; E78-K82 PolarHBondContact O-N 3.13Å
83L55.7Low68.5Low142 Ų142117.9 Ų117.974%0.74358%0.584SS**THydrogen-bonded Turntrans-98.112.1175.6-140.396.5000113.4F79 L80 A81 R85F79-L83 WeakPolarHBondContact O-CB 3.31Å; F79-L83 PolarHBondContact O-N 3.39Å; L80-L83 CarbonylContact O-C 3.58Å; L80-L83 VanDerWaalsContact O-C 3.28Å; L80-L83 PolarHBondContact O-N 3.03Å; A81-L83 VanDerWaalsContact C-N 3.26Å; A81-L83 PolarHBondContact O-N 2.98Å; L83-R85 PolarHBondContact O-N 3.19Å
84S55.4Low69.2Low91 Ų91118.3 Ų118.364%0.63659%0.587SS**  trans-66.786.9172.866.70000107.2L80 A81 T86L80-S84 PolarHBondContact O-N 3.33Å; A81-S84 WeakPolarHBondContact O-CB 3.39Å; A81-S84 PolarHBondContact O-N 3.36Å; A81-S84 PolarHBondContact O-OG 3.05Å; S84-T86 PolarHBondContact O-N 3.46Å
85R57.6Low69.6Low209 Ų209119.1 Ų119.179%0.78958%0.579SS**  trans-53116.3178.2-165-179.9-166.1-168.13.1104.6L83 K87L83-R85 PolarHBondContact O-N 3.19Å; R85-K87 PolarHBondContact O-N 3.49Å; R85-K87 VanDerWaalsContact O-N 3.11Å
86T58.6Low70.1Confident95 Ų95118.5 Ų118.558%0.58359%0.586SS**  trans-43.3128.7169.9-14.20000105.6S84 R88S84-T86 PolarHBondContact O-N 3.46Å; T86-R88 WeakPolarHBondContact O-CG 3.38Å; T86-R88 PolarHBondContact O-N 3.42Å
87K59.6Low70.7Confident170 Ų170120.9 Ų120.974%0.73959%0.594SS**  trans-59.580.9179.5-173.4176.5-176.3169.60107.3R85 N89 D130R85-K87 PolarHBondContact O-N 3.49Å; R85-K87 VanDerWaalsContact O-N 3.11Å; K87-N89 PolarHBondContact O-N 2.92Å; K87-D130 IonicContact NZ-OD2 3.18Å; K87-D130 PolarHBondContact NZ-OD2 3.24Å
88R63.2Low71.6Confident172 Ų172115.7 Ų115.765%0.64957%0.571SS**  trans-84.5107.8-175-80.1177.5-169.2161.33.9103.8T86 V90T86-R88 WeakPolarHBondContact O-CG 3.38Å; T86-R88 PolarHBondContact O-N 3.42Å; R88-V90 VanDerWaalsContact C-N 3.34Å; R88-V90 PolarHBondContact O-N 2.73Å
89N68.1Low72.1Confident109 Ų109113.5 Ų113.558%0.58356%0.561SS**  trans-59104.8167.1-69.4-24.6000106.5K87 W91 D92K87-N89 PolarHBondContact O-N 2.92Å; N89-W91 PolarHBondContact O-N 3.27Å; N89-W91 VanDerWaalsContact O-N 3.13Å; N89-D92 HydrophobicContact CB-CB 4.44Å; N89-D92 WeakPolarHBondContact O-CB 3.35Å; N89-D92 PolarHBondContact O-N 3.08Å; N89-D92 VanDerWaalsContact O-N 3.16Å
90V70.4Confident72.9Confident91 Ų91113.7 Ų113.755%0.55256%0.563SS**THydrogen-bonded Turntrans-58.5-27.3-178.1177.50000110.4R88 V98R88-V90 VanDerWaalsContact C-N 3.34Å; R88-V90 PolarHBondContact O-N 2.73Å; V90-V98 WeakPolarHBondContact O-CG2 3.44Å
91W74.3Confident73.8Confident167 Ų167117.8 Ų117.863%0.63357%0.57SS**THydrogen-bonded Turntrans-93.718.9-178.3-58.5112.4000115N89 R93 L119N89-W91 PolarHBondContact O-N 3.27Å; N89-W91 VanDerWaalsContact O-N 3.13Å; W91-R93 PolarHBondContact O-N 2.74Å; W91-L119 HydrophobicContact CB-CD2 4.24Å; W91-L119 HydrophobicContact CD2-CD2 3.7Å; W91-L119 HydrophobicContact CE3-CD2 3.83Å; W91-L119 HydrophobicContact CG-CD2 3.89Å; W91-L119 HydrophobicContact CZ3-CD2 4.41Å
92D81.4Confident75Confident68 Ų68116.2 Ų116.236%0.36455%0.553SS.*  trans-67.8113.1178.4-176.2-1.3000112.1N89 S94 R95 V98N89-D92 HydrophobicContact CB-CB 4.44Å; N89-D92 WeakPolarHBondContact O-CB 3.35Å; N89-D92 PolarHBondContact O-N 3.08Å; N89-D92 VanDerWaalsContact O-N 3.16Å; D92-S94 PolarHBondContact O-N 2.96Å; D92-S94 WeakPolarHBondContact OD1-CB 3.33Å; D92-S94 PolarHBondContact OD1-N 3.28Å; D92-S94 PolarHBondContact OD1-OG 2.97Å; D92-S94 PolarHBondContact OD2-OG 2.77Å; D92-R95 HydrophobicContact CB-CG 4.19Å; D92-R95 WeakPolarHBondContact O-CB 3.32Å; D92-R95 PolarHBondContact O-N 3.2Å; D92-R95 VanDerWaalsContact O-N 3.12Å; D92-V98 WeakPolarHBondContact O-CB 3.48Å; D92-V98 VanDerWaalsContact O-CG2 3.31Å; D92-V98 WeakPolarHBondContact O-CG2 3.37Å
93R76.4Confident76.2Confident107 Ų107111.5 Ų111.540%0.40454%0.535SS..THydrogen-bonded Turntrans-66.7-18.5-179.4-69.9-176171.2175.4-5.9113.9W91 R95 Q99 I102 E116W91-R93 PolarHBondContact O-N 2.74Å; R93-R95 PolarHBondContact O-N 2.79Å; R93-Q99 WeakPolarHBondContact O-CG 3.37Å; R93-Q99 PolarHBondContact O-NE2 2.96Å; R93-I102 HydrophobicContact CG-CD1 4.34Å; R93-E116 IonicContact CZ-OE1 3.72Å; R93-E116 IonicContact NH1-OE1 2.74Å; R93-E116 PolarHBondContact NH1-OE1 3.4Å; R93-E116 IonicContact NH2-OE1 2.79Å; R93-E116 PolarHBondContact NH2-OE1 3.36Å
94S83.3Confident77.9Confident97 Ų97109.6 Ų109.668%0.67852%0.522SS*.THydrogen-bonded Turntrans-69.7-14.9174.270.90000112.4D92D92-S94 PolarHBondContact O-N 2.96Å; D92-S94 WeakPolarHBondContact OD1-CB 3.33Å; D92-S94 PolarHBondContact OD1-N 3.28Å; D92-S94 PolarHBondContact OD1-OG 2.97Å; D92-S94 PolarHBondContact OD2-OG 2.77Å
95R84.2Confident79.4Confident88 Ų88107.8 Ų107.833%0.33250%0.503SS..SBendtrans-83135.5-178.5-66.9-179.460.8-152.2-8.3111.5D92 R93 D97 V98 Q99D92-R95 HydrophobicContact CB-CG 4.19Å; D92-R95 WeakPolarHBondContact O-CB 3.32Å; D92-R95 PolarHBondContact O-N 3.2Å; D92-R95 VanDerWaalsContact O-N 3.12Å; R93-R95 PolarHBondContact O-N 2.79Å; R95-D97 IonicContact CZ-OD2 2.88Å; R95-D97 IonicContact NH2-OD2 2.73Å; R95-D97 PolarHBondContact NH2-OD2 3.12Å; R95-D97 PolarHBondContact O-N 3.17Å; R95-V98 HydrophobicContact CB-CB 4.49Å; R95-V98 HydrophobicContact CB-CG2 4.16Å; R95-V98 PolarHBondContact O-N 3.48Å; R95-Q99 PolarHBondContact O-N 2.89Å
96P88.4Confident80.8Confident95 Ų95101.4 Ų101.462%0.61748%0.483SS*.Hα-helixtrans-61.1-35.1179.425.4-34.2000112V98 Q99 Q100P96-V98 PolarHBondContact O-N 3.29Å; P96-Q99 PolarHBondContact O-N 3.47Å; P96-Q100 WeakPolarHBondContact O-CG 3.28Å; P96-Q100 PolarHBondContact O-N 2.96Å
97D89.8Confident82.2Confident88 Ų88103.3 Ų103.347%0.47149%0.485SS..Hα-helixtrans-61.5-45.8178.7-49-34.4000111.6R95 Q99 Q100 W101R95-D97 IonicContact CZ-OD2 2.88Å; R95-D97 IonicContact NH2-OD2 2.73Å; R95-D97 PolarHBondContact NH2-OD2 3.12Å; R95-D97 PolarHBondContact O-N 3.17Å; D97-Q99 VanDerWaalsContact C-N 3.3Å; D97-Q99 PolarHBondContact O-N 3.33Å; D97-Q100 PolarHBondContact O-N 2.94Å; D97-W101 PolarHBondContact O-N 3.29Å; D97-W101 VanDerWaalsContact O-N 3.11Å
98V87.7Confident83.7Confident17 Ų17100.4 Ų100.410%0.10348%0.476CS..Hα-helixtrans-66.1-38.9-178.4177.30000110V90 D92 R95 P96 W101 I102V90-V98 WeakPolarHBondContact O-CG2 3.44Å; D92-V98 WeakPolarHBondContact O-CB 3.48Å; D92-V98 VanDerWaalsContact O-CG2 3.31Å; D92-V98 WeakPolarHBondContact O-CG2 3.37Å; R95-V98 HydrophobicContact CB-CB 4.49Å; R95-V98 HydrophobicContact CB-CG2 4.16Å; R95-V98 PolarHBondContact O-N 3.48Å; P96-V98 PolarHBondContact O-N 3.29Å; V98-W101 PolarHBondContact O-N 2.96Å; V98-I102 HydrophobicContact CG1-CD1 3.9Å; V98-I102 HydrophobicContact CG1-CG1 4.48Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 3.21Å
99Q89.8Confident84.9Confident82 Ų8295.3 Ų95.338%0.38348%0.477SS..Hα-helixtrans-61.7-43.6174.7-69.5-65.8-28.500112.4R93 R95 P96 D97 W101 I102 M103R93-Q99 WeakPolarHBondContact O-CG 3.37Å; R93-Q99 PolarHBondContact O-NE2 2.96Å; R95-Q99 PolarHBondContact O-N 2.89Å; P96-Q99 PolarHBondContact O-N 3.47Å; D97-Q99 VanDerWaalsContact C-N 3.3Å; D97-Q99 PolarHBondContact O-N 3.33Å; Q99-W101 VanDerWaalsContact C-N 3.31Å; Q99-W101 PolarHBondContact O-N 3.33Å; Q99-I102 PolarHBondContact O-N 3.44Å; Q99-M103 WeakPolarHBondContact O-CG 3.39Å; Q99-M103 PolarHBondContact O-N 3.47Å
100Q91.3Very high85.7Confident121 Ų12195.1 Ų95.157%0.56547%0.471SS*.Hα-helixtrans-61.6-40.6176.8-70.6-61.9-54.100112.1P96 D97 M103 Q104P96-Q100 WeakPolarHBondContact O-CG 3.28Å; P96-Q100 PolarHBondContact O-N 2.96Å; D97-Q100 PolarHBondContact O-N 2.94Å; Q100-M103 PolarHBondContact O-N 3.46Å; Q100-Q104 PolarHBondContact O-N 3.26Å
101W88.4Confident86.5Confident207 Ų20796.4 Ų96.478%0.78447%0.474SS*.Hα-helixtrans-67.5-40.5177.4-8163.2000112.3D97 V98 Q99 M103 Q104 F105D97-W101 PolarHBondContact O-N 3.29Å; D97-W101 VanDerWaalsContact O-N 3.11Å; V98-W101 PolarHBondContact O-N 2.96Å; Q99-W101 VanDerWaalsContact C-N 3.31Å; Q99-W101 PolarHBondContact O-N 3.33Å; W101-M103 VanDerWaalsContact C-N 3.35Å; W101-Q104 PolarHBondContact O-N 3.27Å; W101-F105 WeakPolarHBondContact O-CB 3.37Å; W101-F105 PolarHBondContact O-N 2.74Å
102I88.1Confident86.9Confident30 Ų3093.5 Ų93.515%0.15447%0.468CS..Hα-helixtrans-61.5-45.8173.9-67.9166.1000109.8R93 V98 Q99 Q104 F105 M106 L115R93-I102 HydrophobicContact CG-CD1 4.34Å; V98-I102 HydrophobicContact CG1-CD1 3.9Å; V98-I102 HydrophobicContact CG1-CG1 4.48Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 3.21Å; Q99-I102 PolarHBondContact O-N 3.44Å; I102-Q104 PolarHBondContact O-N 2.79Å; I102-F105 WeakPolarHBondContact O-CB 3.48Å; I102-F105 PolarHBondContact O-N 3.25Å; I102-F105 VanDerWaalsContact O-N 3.12Å; I102-M106 HydrophobicContact CG2-CG 4.48Å; I102-M106 WeakPolarHBondContact O-CG 3.37Å; I102-M106 PolarHBondContact O-N 3.33Å; I102-L115 HydrophobicContact CG1-CD2 4.42Å
103M89.2Confident87.2Confident95 Ų9598.2 Ų98.247%0.46849%0.488SS..Hα-helixtrans-58.5-45.2176.6-73.2178.862.600112.4Q99 Q100 W101 F105 M106 Q107Q99-M103 WeakPolarHBondContact O-CG 3.39Å; Q99-M103 PolarHBondContact O-N 3.47Å; Q100-M103 PolarHBondContact O-N 3.46Å; W101-M103 VanDerWaalsContact C-N 3.35Å; M103-F105 VanDerWaalsContact C-N 3.28Å; M103-F105 PolarHBondContact O-N 3.37Å; M103-M106 PolarHBondContact O-N 3.36Å; M103-Q107 WeakPolarHBondContact O-CG 3.35Å; M103-Q107 PolarHBondContact O-N 3.21Å
104Q90.5Very high87.7Confident102 Ų102101.6 Ų101.648%0.47750%0.501SS..Hα-helixtrans-62.3-38.6176.4-175.861.738.800111.8Q100 W101 I102 Q107 M108Q100-Q104 PolarHBondContact O-N 3.26Å; W101-Q104 PolarHBondContact O-N 3.27Å; I102-Q104 PolarHBondContact O-N 2.79Å; Q104-Q107 WeakPolarHBondContact O-CB 3.31Å; Q104-Q107 PolarHBondContact O-N 3.3Å; Q104-M108 HydrophobicContact CG-CE 4.48Å; Q104-M108 WeakPolarHBondContact O-CG 3.49Å; Q104-M108 PolarHBondContact O-N 2.96Å
105F87.1Confident87.8Confident54 Ų5498.6 Ų98.624%0.23748%0.477CS..Hα-helixtrans-63.3-43.9177-171.1-98.2000111.8W101 I102 M103 Q107 M108 F110 L115W101-F105 WeakPolarHBondContact O-CB 3.37Å; W101-F105 PolarHBondContact O-N 2.74Å; I102-F105 WeakPolarHBondContact O-CB 3.48Å; I102-F105 PolarHBondContact O-N 3.25Å; I102-F105 VanDerWaalsContact O-N 3.12Å; M103-F105 VanDerWaalsContact C-N 3.28Å; M103-F105 PolarHBondContact O-N 3.37Å; F105-Q107 VanDerWaalsContact C-N 3.31Å; F105-Q107 PolarHBondContact O-N 2.89Å; F105-M108 HydrophobicContact CB-CE 4.46Å; F105-M108 HydrophobicContact CD2-CE 4.12Å; F105-M108 PolarHBondContact O-N 2.88Å; F105-F110 HydrophobicContact CD1-CB 3.56Å; F105-F110 HydrophobicContact CD1-CD2 4.31Å; F105-F110 HydrophobicContact CD1-CG 4.22Å; F105-F110 HydrophobicContact CD2-CB 4.46Å; F105-F110 AromaticContact CD2-CD2 3.75Å; F105-F110 HydrophobicContact CD2-CD2 3.75Å; F105-F110 HydrophobicContact CD2-CE2 4.28Å; F105-F110 HydrophobicContact CD2-CG 4.24Å; F105-F110 HydrophobicContact CE1-CB 3.05Å; F105-F110 HydrophobicContact CE1-CD1 4.4Å; F105-F110 HydrophobicContact CE1-CD2 4.11Å; F105-F110 AromaticContact CE1-CG 3.65Å; F105-F110 HydrophobicContact CE1-CG 3.65Å; F105-F110 HydrophobicContact CE2-CB 4.03Å; F105-F110 HydrophobicContact CE2-CD1 4.2Å; F105-F110 AromaticContact CE2-CD2 3.5Å; F105-F110 HydrophobicContact CE2-CD2 3.5Å; F105-F110 VanDerWaalsContact CE2-CD2 3.5Å; F105-F110 AromaticContact CE2-CE2 3.94Å; F105-F110 HydrophobicContact CE2-CE2 3.94Å; F105-F110 AromaticContact CE2-CG 3.66Å; F105-F110 HydrophobicContact CE2-CG 3.66Å; F105-F110 HydrophobicContact CE2-CZ 4.45Å; F105-F110 HydrophobicContact CG-CB 4.26Å; F105-F110 HydrophobicContact CG-CD2 4.16Å; F105-F110 HydrophobicContact CZ-CB 3.32Å; F105-F110 AromaticContact CZ-CD1 3.79Å; F105-F110 HydrophobicContact CZ-CD1 3.79Å; F105-F110 AromaticContact CZ-CD2 3.71Å; F105-F110 HydrophobicContact CZ-CD2 3.71Å; F105-F110 HydrophobicContact CZ-CE2 4.45Å; F105-F110 AromaticContact CZ-CG 3.34Å; F105-F110 HydrophobicContact CZ-CG 3.34Å; F105-L115 HydrophobicContact CD1-CB 4.31Å; F105-L115 HydrophobicContact CD1-CD1 4.16Å; F105-L115 HydrophobicContact CD1-CD2 3.72Å; F105-L115 HydrophobicContact CD1-CG 4.27Å; F105-L115 HydrophobicContact CE1-CB 3.74Å; F105-L115 HydrophobicContact CE1-CD1 3.79Å; F105-L115 HydrophobicContact CE1-CD2 3.99Å; F105-L115 HydrophobicContact CE1-CG 4.03Å; F105-L115 HydrophobicContact CE2-CD1 4.49Å; F105-L115 HydrophobicContact CG-CD2 4.42Å; F105-L115 HydrophobicContact CZ-CB 4.49Å; F105-L115 HydrophobicContact CZ-CD1 3.97Å
106M87.2Confident87.8Confident75 Ų7596.9 Ų96.937%0.36947%0.473SS..Hα-helixtrans-62.6-37.6174.1-62-52.3-66.700112.1I102 M103 M108 G109 E112I102-M106 HydrophobicContact CG2-CG 4.48Å; I102-M106 WeakPolarHBondContact O-CG 3.37Å; I102-M106 PolarHBondContact O-N 3.33Å; M103-M106 PolarHBondContact O-N 3.36Å; M106-M108 PolarHBondContact O-N 3.49Å; M106-G109 PolarHBondContact O-N 2.99Å; M106-E112 HydrophobicContact CE-CB 3.76Å; M106-E112 HydrophobicContact SD-CB 3.9Å
107Q88.7Confident87.9Confident134 Ų13494.8 Ų94.863%0.62646%0.463SS*.Hα-helixtrans-65.1-25.2176.9-72.1173.324.700113.5M103 Q104 F105 G109M103-Q107 WeakPolarHBondContact O-CG 3.35Å; M103-Q107 PolarHBondContact O-N 3.21Å; Q104-Q107 WeakPolarHBondContact O-CB 3.31Å; Q104-Q107 PolarHBondContact O-N 3.3Å; F105-Q107 VanDerWaalsContact C-N 3.31Å; F105-Q107 PolarHBondContact O-N 2.89Å; Q107-G109 PolarHBondContact O-N 3.42Å
108M90.1Very high87.8Confident110 Ų11094.4 Ų94.454%0.54246%0.461SS..THydrogen-bonded Turntrans-790.5174.4-66.8-176.1-68.800113.1Q104 F105 M106 F110Q104-M108 HydrophobicContact CG-CE 4.48Å; Q104-M108 WeakPolarHBondContact O-CG 3.49Å; Q104-M108 PolarHBondContact O-N 2.96Å; F105-M108 HydrophobicContact CB-CE 4.46Å; F105-M108 HydrophobicContact CD2-CE 4.12Å; F105-M108 PolarHBondContact O-N 2.88Å; M106-M108 PolarHBondContact O-N 3.49Å; M108-F110 HydrophobicContact CB-CD2 3.72Å; M108-F110 HydrophobicContact CB-CE2 3.72Å; M108-F110 HydrophobicContact CE-CD2 4.44Å; M108-F110 HydrophobicContact CE-CE2 4.2Å; M108-F110 HydrophobicContact SD-CE2 4.5Å
109G88Confident87.6Confident65 Ų6594.9 Ų94.967%0.6746%0.463SS*.THydrogen-bonded Turntrans84.919.117600000114.3M106 Q107M106-G109 PolarHBondContact O-N 2.99Å; Q107-G109 PolarHBondContact O-N 3.42Å
110F84.9Confident87.3Confident104 Ų10495.9 Ų95.946%0.45647%0.467SS..  trans-85.4144173.4-65.2-78.9000111.5F105 M108F105-F110 HydrophobicContact CD1-CB 3.56Å; F105-F110 HydrophobicContact CD1-CD2 4.31Å; F105-F110 HydrophobicContact CD1-CG 4.22Å; F105-F110 HydrophobicContact CD2-CB 4.46Å; F105-F110 AromaticContact CD2-CD2 3.75Å; F105-F110 HydrophobicContact CD2-CD2 3.75Å; F105-F110 HydrophobicContact CD2-CE2 4.28Å; F105-F110 HydrophobicContact CD2-CG 4.24Å; F105-F110 HydrophobicContact CE1-CB 3.05Å; F105-F110 HydrophobicContact CE1-CD1 4.4Å; F105-F110 HydrophobicContact CE1-CD2 4.11Å; F105-F110 AromaticContact CE1-CG 3.65Å; F105-F110 HydrophobicContact CE1-CG 3.65Å; F105-F110 HydrophobicContact CE2-CB 4.03Å; F105-F110 HydrophobicContact CE2-CD1 4.2Å; F105-F110 AromaticContact CE2-CD2 3.5Å; F105-F110 HydrophobicContact CE2-CD2 3.5Å; F105-F110 VanDerWaalsContact CE2-CD2 3.5Å; F105-F110 AromaticContact CE2-CE2 3.94Å; F105-F110 HydrophobicContact CE2-CE2 3.94Å; F105-F110 AromaticContact CE2-CG 3.66Å; F105-F110 HydrophobicContact CE2-CG 3.66Å; F105-F110 HydrophobicContact CE2-CZ 4.45Å; F105-F110 HydrophobicContact CG-CB 4.26Å; F105-F110 HydrophobicContact CG-CD2 4.16Å; F105-F110 HydrophobicContact CZ-CB 3.32Å; F105-F110 AromaticContact CZ-CD1 3.79Å; F105-F110 HydrophobicContact CZ-CD1 3.79Å; F105-F110 AromaticContact CZ-CD2 3.71Å; F105-F110 HydrophobicContact CZ-CD2 3.71Å; F105-F110 HydrophobicContact CZ-CE2 4.45Å; F105-F110 AromaticContact CZ-CG 3.34Å; F105-F110 HydrophobicContact CZ-CG 3.34Å; M108-F110 HydrophobicContact CB-CD2 3.72Å; M108-F110 HydrophobicContact CB-CE2 3.72Å; M108-F110 HydrophobicContact CE-CD2 4.44Å; M108-F110 HydrophobicContact CE-CE2 4.2Å; M108-F110 HydrophobicContact SD-CE2 4.5Å
111D86.9Confident87.2Confident118 Ų11896.6 Ų96.663%0.63147%0.466SS*.  trans-76.6135.7179.6-64.2-40.2000112Q113 R114 L115D111-Q113 PolarHBondContact O-N 3.37Å; D111-R114 HydrophobicContact CB-CB 4.35Å; D111-R114 PolarHBondContact O-N 2.94Å; D111-L115 PolarHBondContact O-N 3.43Å
112E84.4Confident86.9Confident107 Ų10794.6 Ų94.650%0.546%0.458SS..Hα-helixtrans-59-48.5177.8-176.6171.8-16600111.1M106 R114 L115 E116M106-E112 HydrophobicContact CE-CB 3.76Å; M106-E112 HydrophobicContact SD-CB 3.9Å; E112-R114 PolarHBondContact O-N 3.41Å; E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.12Å; E112-L115 VanDerWaalsContact O-N 3.08Å; E112-E116 HydrophobicContact CG-CG 4.23Å; E112-E116 VanDerWaalsContact O-CG 3.23Å; E112-E116 WeakPolarHBondContact O-CG 3.35Å; E112-E116 PolarHBondContact O-N 2.93Å
113Q87.1Confident86.6Confident166 Ų16696.5 Ų96.578%0.77647%0.468SS*.Hα-helixtrans-59.2-35.9-176.2-65.1-168.5-12.100113D111 E116 A117D111-Q113 PolarHBondContact O-N 3.37Å; Q113-E116 PolarHBondContact O-N 3.03Å; Q113-A117 WeakPolarHBondContact O-CB 3.34Å; Q113-A117 PolarHBondContact O-N 3.31Å
114R86.1Confident86.4Confident179 Ų17996.4 Ų96.468%0.67547%0.469SS*.Hα-helixtrans-72-40.4178.6-172163.3-176.8162.11111.5D111 E112 E116 A117 D118D111-R114 HydrophobicContact CB-CB 4.35Å; D111-R114 PolarHBondContact O-N 2.94Å; E112-R114 PolarHBondContact O-N 3.41Å; R114-E116 VanDerWaalsContact C-N 3.32Å; R114-E116 PolarHBondContact O-N 3.27Å; R114-A117 PolarHBondContact O-N 2.97Å; R114-D118 WeakPolarHBondContact O-CB 3.39Å; R114-D118 PolarHBondContact O-N 3.41Å
115L85.4Confident86Confident33 Ų3395.1 Ų95.117%0.17346%0.463CS..Hα-helixtrans-60.7-42.2172.6-179.669.6000111.5I102 F105 D111 E112 L119I102-L115 HydrophobicContact CG1-CD2 4.42Å; F105-L115 HydrophobicContact CD1-CB 4.31Å; F105-L115 HydrophobicContact CD1-CD1 4.16Å; F105-L115 HydrophobicContact CD1-CD2 3.72Å; F105-L115 HydrophobicContact CD1-CG 4.27Å; F105-L115 HydrophobicContact CE1-CB 3.74Å; F105-L115 HydrophobicContact CE1-CD1 3.79Å; F105-L115 HydrophobicContact CE1-CD2 3.99Å; F105-L115 HydrophobicContact CE1-CG 4.03Å; F105-L115 HydrophobicContact CE2-CD1 4.49Å; F105-L115 HydrophobicContact CG-CD2 4.42Å; F105-L115 HydrophobicContact CZ-CB 4.49Å; F105-L115 HydrophobicContact CZ-CD1 3.97Å; D111-L115 PolarHBondContact O-N 3.43Å; E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.12Å; E112-L115 VanDerWaalsContact O-N 3.08Å; L115-L119 HydrophobicContact CD1-CD1 4.2Å; L115-L119 HydrophobicContact CG-CD1 3.99Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 PolarHBondContact O-N 3.32Å
116E85.3Confident85.5Confident53 Ų5395.4 Ų95.425%0.24848%0.475CS..Hα-helixtrans-63.9-45.3178.5-56.1-149.6120.300112R93 E112 Q113 R114 L119 Q120R93-E116 IonicContact CZ-OE1 3.72Å; R93-E116 IonicContact NH1-OE1 2.74Å; R93-E116 PolarHBondContact NH1-OE1 3.4Å; R93-E116 IonicContact NH2-OE1 2.79Å; R93-E116 PolarHBondContact NH2-OE1 3.36Å; E112-E116 HydrophobicContact CG-CG 4.23Å; E112-E116 VanDerWaalsContact O-CG 3.23Å; E112-E116 WeakPolarHBondContact O-CG 3.35Å; E112-E116 PolarHBondContact O-N 2.93Å; Q113-E116 PolarHBondContact O-N 3.03Å; R114-E116 VanDerWaalsContact C-N 3.32Å; R114-E116 PolarHBondContact O-N 3.27Å; E116-L119 PolarHBondContact O-N 3.11Å; E116-Q120 WeakPolarHBondContact O-CB 3.41Å; E116-Q120 VanDerWaalsContact O-CG 3.23Å; E116-Q120 WeakPolarHBondContact O-CG 3.32Å; E116-Q120 PolarHBondContact O-N 3.37Å
117A89.6Confident84.8Confident50 Ų5099.1 Ų99.141%0.41349%0.485SS..Hα-helixtrans-62.4-45.9178.200000111.5Q113 R114 Q120 Y121Q113-A117 WeakPolarHBondContact O-CB 3.34Å; Q113-A117 PolarHBondContact O-N 3.31Å; R114-A117 PolarHBondContact O-N 2.97Å; A117-Q120 PolarHBondContact O-N 3.02Å; A117-Y121 WeakPolarHBondContact O-CB 3.4Å; A117-Y121 PolarHBondContact O-N 2.9Å
118D88.1Confident84.1Confident81 Ų8195.5 Ų95.543%0.43347%0.474SS..Hα-helixtrans-63.9-43.4178-73.1-15.3000110.8R114 Y121 W122R114-D118 WeakPolarHBondContact O-CB 3.39Å; R114-D118 PolarHBondContact O-N 3.41Å; D118-Y121 WeakPolarHBondContact O-CB 3.12Å; D118-Y121 PolarHBondContact O-N 3.01Å; D118-W122 PolarHBondContact O-N 3.33Å
119L82.9Confident83Confident27 Ų2796.7 Ų96.714%0.14148%0.478CS..Hα-helixtrans-61.9-45.5176.7-93.5160.9000112.8W91 L115 E116 Y121 W122 M123W91-L119 HydrophobicContact CB-CD2 4.24Å; W91-L119 HydrophobicContact CD2-CD2 3.7Å; W91-L119 HydrophobicContact CE3-CD2 3.83Å; W91-L119 HydrophobicContact CG-CD2 3.89Å; W91-L119 HydrophobicContact CZ3-CD2 4.41Å; L115-L119 HydrophobicContact CD1-CD1 4.2Å; L115-L119 HydrophobicContact CG-CD1 3.99Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 PolarHBondContact O-N 3.32Å; E116-L119 PolarHBondContact O-N 3.11Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; L119-W122 PolarHBondContact O-N 2.89Å; L119-M123 WeakPolarHBondContact O-CB 3.18Å; L119-M123 VanDerWaalsContact O-CG 3.32Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.21Å
120Q83.8Confident81.8Confident102 Ų10298.2 Ų98.248%0.47747%0.471SS..Hα-helixtrans-61.8-45.2177.7-73.9163.2-100110.7E116 A117 W122 M123 D124E116-Q120 WeakPolarHBondContact O-CB 3.41Å; E116-Q120 VanDerWaalsContact O-CG 3.23Å; E116-Q120 WeakPolarHBondContact O-CG 3.32Å; E116-Q120 PolarHBondContact O-N 3.37Å; A117-Q120 PolarHBondContact O-N 3.02Å; Q120-W122 PolarHBondContact O-N 3.45Å; Q120-M123 HydrophobicContact CG-CE 4.22Å; Q120-M123 PolarHBondContact O-N 3.08Å; Q120-D124 WeakPolarHBondContact O-CB 3.36Å; Q120-D124 PolarHBondContact O-N 3.28Å
121Y88.5Confident80.5Confident137 Ų13798.7 Ų98.754%0.53748%0.475SS..Hα-helixtrans-55.6-50.8174.8173-97.5000111.9A117 D118 L119 M123 D124 H125A117-Y121 WeakPolarHBondContact O-CB 3.4Å; A117-Y121 PolarHBondContact O-N 2.9Å; D118-Y121 WeakPolarHBondContact O-CB 3.12Å; D118-Y121 PolarHBondContact O-N 3.01Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; Y121-M123 PolarHBondContact O-N 2.88Å; Y121-D124 PolarHBondContact O-N 2.86Å; Y121-H125 VanDerWaalsContact O-CB 3.25Å; Y121-H125 WeakPolarHBondContact O-CB 3.44Å; Y121-H125 PolarHBondContact O-N 3.35Å
122W83.2Confident79Confident165 Ų16596.6 Ų96.663%0.62548%0.481SS*.Hα-helixtrans-67.5-36-179.8-76.1110.5000113.1D118 L119 Q120 A126D118-W122 PolarHBondContact O-N 3.33Å; L119-W122 PolarHBondContact O-N 2.89Å; Q120-W122 PolarHBondContact O-N 3.45Å; W122-A126 WeakPolarHBondContact O-CB 3.3Å; W122-A126 PolarHBondContact O-N 3.17Å
123M82.4Confident77.4Confident70 Ų70102 Ų10235%0.34550%0.497SS..Hα-helixtrans-64-45.6174.9-78.1-168.8-64.600111.9L119 Q120 Y121 A126 R127L119-M123 WeakPolarHBondContact O-CB 3.18Å; L119-M123 VanDerWaalsContact O-CG 3.32Å; L119-M123 WeakPolarHBondContact O-CG 3.48Å; L119-M123 PolarHBondContact O-N 3.21Å; Q120-M123 HydrophobicContact CG-CE 4.22Å; Q120-M123 PolarHBondContact O-N 3.08Å; Y121-M123 PolarHBondContact O-N 2.88Å; M123-A126 PolarHBondContact O-N 3.21Å; M123-R127 WeakPolarHBondContact O-CG 3.32Å; M123-R127 PolarHBondContact O-N 3.17Å
124D83.6Confident76Confident93 Ų93100.5 Ų100.550%0.49749%0.49SS..Hα-helixtrans-71.2-36180-71.9-13.5000111.3Q120 Y121 A126 R127 S128Q120-D124 WeakPolarHBondContact O-CB 3.36Å; Q120-D124 PolarHBondContact O-N 3.28Å; Y121-D124 PolarHBondContact O-N 2.86Å; D124-A126 PolarHBondContact O-N 3.3Å; D124-R127 PolarHBondContact O-N 3.44Å; D124-R127 IonicContact OD1-NH1 3.47Å; D124-R127 PolarHBondContact OD1-NH1 2.95Å; D124-S128 WeakPolarHBondContact O-CB 3.49Å; D124-S128 PolarHBondContact O-N 3.44Å
125H82.6Confident74.6Confident75 Ų7599.1 Ų99.135%0.34749%0.491SS..Hα-helixtrans-60.3-45.2170.9-168.884000111.9Y121 R127 S128 H129Y121-H125 VanDerWaalsContact O-CB 3.25Å; Y121-H125 WeakPolarHBondContact O-CB 3.44Å; Y121-H125 PolarHBondContact O-N 3.35Å; H125-R127 PolarHBondContact O-N 2.96Å; H125-S128 PolarHBondContact O-N 3.4Å; H125-S128 PolarHBondContact O-OG 2.93Å; H125-H129 AromaticContact CD2-ND1 3.99Å; H125-H129 AromaticContact CE1-CE1 3.55Å; H125-H129 AromaticContact CE1-ND1 3.91Å; H125-H129 AromaticContact NE2-CE1 3.48Å; H125-H129 PolarHBondContact NE2-CE1 3.09Å; H125-H129 AromaticContact NE2-ND1 3.66Å; H125-H129 PolarHBondContact O-N 2.98Å; H125-H129 PolarHBondContact O-ND1 3.45Å
126A76.4Confident73.2Confident60 Ų60105.9 Ų105.950%0.49652%0.521SS..Hα-helixtrans-64.5-39.4176.600000112.5W122 M123 D124 H129 D130W122-A126 WeakPolarHBondContact O-CB 3.3Å; W122-A126 PolarHBondContact O-N 3.17Å; M123-A126 PolarHBondContact O-N 3.21Å; D124-A126 PolarHBondContact O-N 3.3Å; A126-H129 PolarHBondContact O-N 3.39Å; A126-D130 PolarHBondContact O-N 3.49Å
127R73.6Confident71.8Confident153 Ų153112.4 Ų112.458%0.57755%0.545SS*.Hα-helixtrans-67.1-36.9174.6-72176.8-172.81261.3112.6M123 D124 H125 H129 D130M123-R127 WeakPolarHBondContact O-CG 3.32Å; M123-R127 PolarHBondContact O-N 3.17Å; D124-R127 PolarHBondContact O-N 3.44Å; D124-R127 IonicContact OD1-NH1 3.47Å; D124-R127 PolarHBondContact OD1-NH1 2.95Å; H125-R127 PolarHBondContact O-N 2.96Å; R127-H129 VanDerWaalsContact C-N 3.25Å; R127-H129 PolarHBondContact O-N 2.9Å; R127-D130 PolarHBondContact O-N 3.04Å
128S73Confident70.4Confident57 Ų57114.2 Ų114.240%0.39955%0.547SS..Hα-helixtrans-65.3-30.3177.175.80000112.6D124 H125 Q131D124-S128 WeakPolarHBondContact O-CB 3.49Å; D124-S128 PolarHBondContact O-N 3.44Å; H125-S128 PolarHBondContact O-N 3.4Å; H125-S128 PolarHBondContact O-OG 2.93Å; S128-Q131 WeakPolarHBondContact O-CG 3.29Å; S128-Q131 PolarHBondContact O-NE2 3.25Å
129H66.3Low69.1Low136 Ų136119 Ų11963%0.6357%0.567SS**Hα-helixtrans-89.6-13.6175.7-80.977.2000113.6H125 A126 R127 Q131H125-H129 AromaticContact CD2-ND1 3.99Å; H125-H129 AromaticContact CE1-CE1 3.55Å; H125-H129 AromaticContact CE1-ND1 3.91Å; H125-H129 AromaticContact NE2-CE1 3.48Å; H125-H129 PolarHBondContact NE2-CE1 3.09Å; H125-H129 AromaticContact NE2-ND1 3.66Å; H125-H129 PolarHBondContact O-N 2.98Å; H125-H129 PolarHBondContact O-ND1 3.45Å; A126-H129 PolarHBondContact O-N 3.39Å; R127-H129 VanDerWaalsContact C-N 3.25Å; R127-H129 PolarHBondContact O-N 2.9Å; H129-Q131 PolarHBondContact O-N 3.47Å
130D64.6Low68Low96 Ų96124.4 Ų124.451%0.51360%0.596SS.*  trans-75.936.2171.8-161.513.4000111.9K87 A126 R127 G132K87-D130 IonicContact NZ-OD2 3.18Å; K87-D130 PolarHBondContact NZ-OD2 3.24Å; A126-D130 PolarHBondContact O-N 3.49Å; R127-D130 PolarHBondContact O-N 3.04Å; D130-G132 PolarHBondContact O-N 3.24Å; D130-G132 VanDerWaalsContact O-N 3.17Å
131Q57.6Low66.7Low114 Ų114121.8 Ų121.853%0.53359%0.592SS.*G310 helixtrans-70.14.3169.3-78.6177.937.800111.9S128 H129 R133 Q134S128-Q131 WeakPolarHBondContact O-CG 3.29Å; S128-Q131 PolarHBondContact O-NE2 3.25Å; H129-Q131 PolarHBondContact O-N 3.47Å; Q131-R133 PolarHBondContact O-N 3.4Å; Q131-R133 VanDerWaalsContact O-N 3.13Å; Q131-Q134 HydrophobicContact CB-CG 4.21Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 WeakPolarHBondContact O-CG 3.27Å; Q131-Q134 PolarHBondContact O-N 3.42Å
132G54.3Low65.1Low74 Ų74121.4 Ų121.476%0.76361%0.606SS**G310 helixtrans-71.2-0.2-179.800000115.9D130D130-G132 PolarHBondContact O-N 3.24Å; D130-G132 VanDerWaalsContact O-N 3.17Å
133R50.9Low63.6Low222 Ų222119.7 Ų119.784%0.83861%0.608SS**G310 helixtrans-10427.1159.2-80.9-165.5179.8166.3-0.2112.2Q131 H135Q131-R133 PolarHBondContact O-N 3.4Å; Q131-R133 VanDerWaalsContact O-N 3.13Å; R133-H135 VanDerWaalsContact C-N 3.3Å; R133-H135 PolarHBondContact O-CD2 3.26Å; R133-H135 PolarHBondContact O-N 3.25Å
134Q58.8Low62.5Low134 Ų134118.8 Ų118.863%0.62662%0.616SS**  trans-56.8103.2159.2-85174.35.600107.1Q131 H136Q131-Q134 HydrophobicContact CB-CG 4.21Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 WeakPolarHBondContact O-CG 3.27Å; Q131-Q134 PolarHBondContact O-N 3.42Å; Q134-H136 VanDerWaalsContact C-N 3.33Å; Q134-H136 PolarHBondContact O-N 3.04Å
135H56.7Low60.9Low149 Ų149121 Ų12169%0.6964%0.636SS**  trans-50.6102.2170.4-68.1-85.7000107.2R133 Y137R133-H135 VanDerWaalsContact C-N 3.3Å; R133-H135 PolarHBondContact O-CD2 3.26Å; R133-H135 PolarHBondContact O-N 3.25Å; H135-Y137 HydrophobicContact CB-CD2 4.25Å; H135-Y137 HydrophobicContact CB-CE2 4.01Å; H135-Y137 PolarHBondContact O-N 3.48Å
136H55.9Low59.3Low175 Ų175127.9 Ų127.981%0.8166%0.659SS**  trans-64.491.8160-164.276.5000104.3Q134 D138Q134-H136 VanDerWaalsContact C-N 3.33Å; Q134-H136 PolarHBondContact O-N 3.04Å; H136-D138 PolarHBondContact O-N 2.96Å
137Y54.1Low58.3Low190 Ų190130.2 Ų130.275%0.74567%0.672SS**  trans-62.6101.4162.8-72.8-79.2000104.5H135 E139H135-Y137 HydrophobicContact CB-CD2 4.25Å; H135-Y137 HydrophobicContact CB-CE2 4.01Å; H135-Y137 PolarHBondContact O-N 3.48Å; Y137-E139 VanDerWaalsContact C-N 3.26Å; Y137-E139 PolarHBondContact O-N 3.36Å
138D60.8Low57.6Low88 Ų88127.4 Ų127.447%0.47168%0.675SS.*  trans-60.598.6162.7174.713.7000106H136 N140 A141H136-D138 PolarHBondContact O-N 2.96Å; D138-N140 PolarHBondContact O-N 3.02Å; D138-N140 WeakPolarHBondContact OD1-CA 3.36Å; D138-N140 WeakPolarHBondContact OD1-CB 3.49Å; D138-N140 PolarHBondContact OD1-N 3.33Å; D138-A141 HydrophobicContact CB-CB 4.15Å; D138-A141 WeakPolarHBondContact O-CB 3.39Å; D138-A141 PolarHBondContact O-N 2.96Å; D138-A141 PolarHBondContact OD1-N 3.27Å; D138-A141 PolarHBondContact OD2-N 3.29Å
139E60.9Low56.4Low181 Ų181134 Ų13485%0.84669%0.693SS**THydrogen-bonded Turntrans-60.9-8.2176.8-69.9-151.4153.100112.6Y137Y137-E139 VanDerWaalsContact C-N 3.26Å; Y137-E139 PolarHBondContact O-N 3.36Å
140N59.2Low55.7Low142 Ų142139.4 Ų139.476%0.75971%0.708SS**THydrogen-bonded Turntrans-105.95.2174.2-60.3-61.3000113.9D138D138-N140 PolarHBondContact O-N 3.02Å; D138-N140 WeakPolarHBondContact OD1-CA 3.36Å; D138-N140 WeakPolarHBondContact OD1-CB 3.49Å; D138-N140 PolarHBondContact OD1-N 3.33Å
141A58.3Low55Low46 Ų46142.9 Ų142.938%0.3872%0.72SS.*SBendtrans-60.7128.5173.900000108.6D138 I143D138-A141 HydrophobicContact CB-CB 4.15Å; D138-A141 WeakPolarHBondContact O-CB 3.39Å; D138-A141 PolarHBondContact O-N 2.96Å; D138-A141 PolarHBondContact OD1-N 3.27Å; D138-A141 PolarHBondContact OD2-N 3.29Å; A141-I143 PolarHBondContact O-N 3Å
142P54.6Low54.7Low129 Ų129140.5 Ų140.584%0.83873%0.726SS**  trans-60.2102.8-177.119.5-29.1000109.6G144P142-G144 PolarHBondContact O-N 2.98Å
143I51.5Low54.8Low129 Ų129141.9 Ų141.966%0.66273%0.731SS**  trans-59.7111177.1-70.3157.7000106.7A141 R146A141-I143 PolarHBondContact O-N 3Å; I143-R146 HydrophobicContact CG2-CB 4.39Å; I143-R146 VanDerWaalsContact CG2-CD 3.45Å; I143-R146 HydrophobicContact CG2-CG 3.64Å
144G58Low55.1Low51 Ų51138.6 Ų138.653%0.52673%0.73SS.*  trans-50.9158171.100000111P142 R146P142-G144 PolarHBondContact O-N 2.98Å; G144-R146 PolarHBondContact O-N 3.3Å
145P49.8Very low54.9Low140 Ų140137.7 Ų137.791%0.90973%0.733SS**  trans-60.494.7-157.224.8-34000112.1S147P145-S147 PolarHBondContact O-N 3.3Å
146R51Low54.9Low220 Ų220136 Ų13683%0.8373%0.729SS**  trans-82.899.9169.4-66.1-175.292.9101.1-2.1107.1I143 G144I143-R146 HydrophobicContact CG2-CB 4.39Å; I143-R146 VanDerWaalsContact CG2-CD 3.45Å; I143-R146 HydrophobicContact CG2-CG 3.64Å; G144-R146 PolarHBondContact O-N 3.3Å
147S55.2Low54.9Low109 Ų109137.9 Ų137.976%0.76273%0.731SS**  trans-54.5137.7158.7173.40000109.4P145P145-S147 PolarHBondContact O-N 3.3Å
148S57.2Low55.6Low93 Ų93134 Ų13465%0.6572%0.723SS**SBendtrans94.4116154.183.10000118.5
149Y48Very low54.9Low197 Ų197139.8 Ų139.877%0.77374%0.74SS**  trans71.674.1158.7-62.7-79.6000118.6H151Y149-H151 AromaticContact CD1-CE1 3.78Å; Y149-H151 PolarHBondContact O-N 3.38Å
150R52Low54.6Low248 Ų248145.2 Ų145.294%0.93676%0.755SS**  trans-62.3105.7138.8-74.3-170.7172.7-170.9-1.8108.1G152R150-G152 PolarHBondContact O-N 3.36Å; R150-G152 VanDerWaalsContact O-N 3.07Å
151H50Low54.4Low169 Ų169145.4 Ų145.478%0.78275%0.754SS**  trans-76.683.8156.2-76.8-0.5000107.6Y149Y149-H151 AromaticContact CD1-CE1 3.78Å; Y149-H151 PolarHBondContact O-N 3.38Å
152G51.8Low54.2Low64 Ų64150.6 Ų150.666%0.6677%0.774SS**  trans-68.2130.7160.500000109R150R150-G152 PolarHBondContact O-N 3.36Å; R150-G152 VanDerWaalsContact O-N 3.07Å
153A55.3Low54.2Low104 Ų104151.8 Ų151.886%0.8677%0.771SS**  trans35.397.4150.600000117.2
154N58.9Low54.3Low153 Ų153153.2 Ų153.282%0.81878%0.777SS**  trans-147.580.3141.3-169.717.8000110.3
155V54.6Low54.1Low114 Ų114159.6 Ų159.669%0.69179%0.793SS**  trans-124.7116.3155.2-72.30000108
156N54.9Low54.4Low114 Ų114160.9 Ų160.961%0.6179%0.785SS**  trans-70.4118179.4-175.433.3000109.7D158N156-D158 VanDerWaalsContact C-N 3.29Å; N156-D158 PolarHBondContact O-N 3.39Å; N156-D158 PolarHBondContact OD1-OD2 3.42Å
157Y57.1Low54.6Low214 Ų214156.6 Ų156.684%0.83978%0.782SS**  trans-93.466.3167.8-71.1-77000109.4
158D68Low54.6Low110 Ų110160.3 Ų160.359%0.58878%0.783SS**  trans-122128159.7-71.8-36.5000106.9N156N156-D158 VanDerWaalsContact C-N 3.29Å; N156-D158 PolarHBondContact O-N 3.39Å; N156-D158 PolarHBondContact OD1-OD2 3.42Å
159Y46.6Very low54.4Low209 Ų209165.9 Ų165.982%0.8279%0.794SS**  trans103.4105.4173.8-65.3-83.3000118.1
160Y55Low54.9Low295 Ų295163.1 Ų163.1100%1.15780%0.796SS**  trans89.10164.5-65.2-77.5000118.3

Retrieved 160 of 160 residues in 38.6 ms (Link to these results)