A0A5K4F987_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F987, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 94 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
1M44Very low60.6Low239 Ų239144.5 Ų144.5100%1.17773%0.729SS**  088.10-73.3-176.1172.800108.1K3M1-K3 PolarHBondContact O-N 3Å
2E53.4Low61.7Low196 Ų196141.3 Ų141.392%0.91670%0.702SS**  trans-75.4117.6-178.9-67.5-176124.100109.6R4E2-R4 PolarHBondContact O-N 2.92Å
3K57.5Low62.8Low207 Ų207134.4 Ų134.490%0.968%0.681SS**  trans-69.3110.8176.3-71.7-178177.2179.90108.1M1M1-K3 PolarHBondContact O-N 3Å
4R65.8Low63.8Low224 Ų224137.4 Ų137.485%0.84568%0.682SS**  trans-54.3136.6172.6-72.2-176.7-172.5175.22.6109.6E2 I6E2-R4 PolarHBondContact O-N 2.92Å; R4-I6 PolarHBondContact O-N 3.39Å
5P54Low65.1Low96 Ų96135.5 Ų135.562%0.62367%0.668SS**  trans-65.1119.8178.324.9-32000110.5I7 S8P5-I7 PolarHBondContact O-N 3.47Å; P5-I7 VanDerWaalsContact O-N 3.07Å; P5-S8 PolarHBondContact O-N 3Å; P5-S8 PolarHBondContact O-OG 2.74Å
6I59.8Low65.9Low142 Ų142132.5 Ų132.573%0.72866%0.655SS**G310 helixtrans-60-20-174.1-63.6160.3000112.6R4 S8R4-I6 PolarHBondContact O-N 3.39Å; I6-S8 PolarHBondContact O-N 3.31Å
7I55.2Low66.7Low136 Ų136128.8 Ų128.870%0.69765%0.645SS**G310 helixtrans-76.1-5.7-174.6-50.5171.5000112.7P5P5-I7 PolarHBondContact O-N 3.47Å; P5-I7 VanDerWaalsContact O-N 3.07Å
8S59.3Low67.6Low92 Ų92128.9 Ų128.964%0.64364%0.641SS**G310 helixtrans-87.9-5.1-176.157.50000115.4P5 I6 P10P5-S8 PolarHBondContact O-N 3Å; P5-S8 PolarHBondContact O-OG 2.74Å; I6-S8 PolarHBondContact O-N 3.31Å; S8-P10 WeakPolarHBondContact O-CD 3.39Å
9S65.8Low68.1Low48 Ų48128.2 Ų128.234%0.33664%0.639SS.*  trans-78.8123.4173.770.70000109.4E11 Y12S9-E11 PolarHBondContact O-N 3.2Å; S9-Y12 PolarHBondContact O-N 3Å; S9-Y12 PolarHBondContact OG-N 3.27Å
10P73.4Confident68.6Low93 Ų93125.2 Ų125.260%0.60463%0.63SS**Hα-helixtrans-55.1-29.3175.921.1-31.9000111.5S8 Y12 A13 Y14S8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-Y12 VanDerWaalsContact C-N 3.31Å; P10-Y12 PolarHBondContact O-N 3.35Å; P10-A13 PolarHBondContact O-N 3.19Å; P10-Y14 HydrophobicContact CB-CE2 4.22Å; P10-Y14 WeakPolarHBondContact O-CD2 3.19Å; P10-Y14 PolarHBondContact O-N 3.37Å
11E78.8Confident69.4Low117 Ų117126.3 Ų126.355%0.54763%0.628SS.*Hα-helixtrans-54.9-40.1173.5-160-165.1147.600113.4S9 K15S9-E11 PolarHBondContact O-N 3.2Å; E11-K15 WeakPolarHBondContact O-CG 3.24Å; E11-K15 PolarHBondContact O-N 3.15Å; E11-K15 VanDerWaalsContact O-N 3.1Å; E11-K15 WeakPolarHBondContact OE1-CE 3.49Å; E11-K15 IonicContact OE1-NZ 2.71Å; E11-K15 PolarHBondContact OE1-NZ 3.48Å
12Y73.8Confident71.2Confident105 Ų105118.8 Ų118.841%0.41259%0.592SS.*Hα-helixtrans-72.7-37.3178-169.1-106.1000112.2S9 P10 Y14 K15 I16S9-Y12 PolarHBondContact O-N 3Å; S9-Y12 PolarHBondContact OG-N 3.27Å; P10-Y12 VanDerWaalsContact C-N 3.31Å; P10-Y12 PolarHBondContact O-N 3.35Å; Y12-Y14 VanDerWaalsContact C-N 3.33Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y12-K15 WeakPolarHBondContact O-CB 3.23Å; Y12-K15 PolarHBondContact O-N 2.94Å; Y12-K15 VanDerWaalsContact O-N 3.17Å; Y12-I16 HydrophobicContact CD1-CD1 3.71Å; Y12-I16 HydrophobicContact CD1-CG1 4.39Å; Y12-I16 HydrophobicContact CE1-CD1 3.34Å; Y12-I16 HydrophobicContact CE1-CG1 4.07Å; Y12-I16 PolarHBondContact O-N 3.37Å
13A75.2Confident72.3Confident52 Ų52112 Ų11243%0.4357%0.569SS.*Hα-helixtrans-63.3-39.2174.700000112P10 I16 S17P10-A13 PolarHBondContact O-N 3.19Å; A13-I16 PolarHBondContact O-N 2.93Å; A13-S17 WeakPolarHBondContact O-CB 3.34Å; A13-S17 PolarHBondContact O-N 3.5Å; A13-S17 PolarHBondContact O-OG 3.02Å
14Y76.6Confident73.4Confident177 Ų177106.6 Ų106.669%0.69455%0.55SS*.Hα-helixtrans-63.2-41.3171.9-74.2-63.7000111.7P10 Y12 S17 F18P10-Y14 HydrophobicContact CB-CE2 4.22Å; P10-Y14 WeakPolarHBondContact O-CD2 3.19Å; P10-Y14 PolarHBondContact O-N 3.37Å; Y12-Y14 VanDerWaalsContact C-N 3.33Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y14-S17 PolarHBondContact O-N 3.36Å; Y14-F18 WeakPolarHBondContact O-CB 3.38Å; Y14-F18 PolarHBondContact O-N 3.29Å
15K83.4Confident74Confident108 Ų10899.6 Ų99.647%0.4753%0.529SS..Hα-helixtrans-61.1-44.6176.5-73.1171.6-172.9172.20112.3E11 Y12 F18 L19E11-K15 WeakPolarHBondContact O-CG 3.24Å; E11-K15 PolarHBondContact O-N 3.15Å; E11-K15 VanDerWaalsContact O-N 3.1Å; E11-K15 WeakPolarHBondContact OE1-CE 3.49Å; E11-K15 IonicContact OE1-NZ 2.71Å; E11-K15 PolarHBondContact OE1-NZ 3.48Å; Y12-K15 WeakPolarHBondContact O-CB 3.23Å; Y12-K15 PolarHBondContact O-N 2.94Å; Y12-K15 VanDerWaalsContact O-N 3.17Å; K15-F18 PolarHBondContact O-N 3.38Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 3.29Å
16I79.2Confident74.8Confident88 Ų8898 Ų9845%0.45152%0.518SS..Hα-helixtrans-63.6-47.7176.6-68.5168.2000111Y12 A13 F18 L19 S20Y12-I16 HydrophobicContact CD1-CD1 3.71Å; Y12-I16 HydrophobicContact CD1-CG1 4.39Å; Y12-I16 HydrophobicContact CE1-CD1 3.34Å; Y12-I16 HydrophobicContact CE1-CG1 4.07Å; Y12-I16 PolarHBondContact O-N 3.37Å; A13-I16 PolarHBondContact O-N 2.93Å; I16-F18 VanDerWaalsContact C-N 3.31Å; I16-F18 PolarHBondContact O-N 2.92Å; I16-L19 PolarHBondContact O-N 2.86Å; I16-S20 PolarHBondContact O-N 2.77Å
17S78.4Confident75.1Confident70 Ų7095.1 Ų95.149%0.4950%0.504SS..Hα-helixtrans-61.4-42-179.7-56.10000111.2A13 Y14 S20 Y21A13-S17 WeakPolarHBondContact O-CB 3.34Å; A13-S17 PolarHBondContact O-N 3.5Å; A13-S17 PolarHBondContact O-OG 3.02Å; Y14-S17 PolarHBondContact O-N 3.36Å; S17-S20 PolarHBondContact O-N 2.89Å; S17-S20 PolarHBondContact O-OG 3.15Å; S17-Y21 PolarHBondContact O-N 2.91Å
18F82.9Confident75.6Confident130 Ų13093 Ų9357%0.5749%0.494SS*.Hα-helixtrans-62.1-44176.5-175.4-107000112.5Y14 K15 I16 S20 Y21 I22Y14-F18 WeakPolarHBondContact O-CB 3.38Å; Y14-F18 PolarHBondContact O-N 3.29Å; K15-F18 PolarHBondContact O-N 3.38Å; I16-F18 VanDerWaalsContact C-N 3.31Å; I16-F18 PolarHBondContact O-N 2.92Å; F18-S20 PolarHBondContact O-N 2.86Å; F18-Y21 PolarHBondContact O-N 3.34Å; F18-I22 HydrophobicContact CD1-CD1 3.69Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.27Å; F18-I22 HydrophobicContact CE2-CD1 4.34Å; F18-I22 HydrophobicContact CG-CD1 4.43Å; F18-I22 HydrophobicContact CZ-CD1 3.61Å; F18-I22 HydrophobicContact CZ-CG1 4.33Å; F18-I22 WeakPolarHBondContact O-CG1 3.37Å; F18-I22 PolarHBondContact O-N 3.42Å
19L76.8Confident76Confident116 Ų11694.1 Ų94.161%0.60749%0.492SS*.Hα-helixtrans-63.2-39.9175.7-72.1172.4000112.3K15 I16 Y21 I22 A23K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 3.29Å; I16-L19 PolarHBondContact O-N 2.86Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 2.99Å; L19-I22 PolarHBondContact O-N 3.09Å; L19-A23 PolarHBondContact O-N 3.36Å
20S79.6Confident75.7Confident67 Ų6798 Ų9847%0.46951%0.508SS..Hα-helixtrans-64.8-36.2175.874.20000112.4I16 S17 F18 A23 L24I16-S20 PolarHBondContact O-N 2.77Å; S17-S20 PolarHBondContact O-N 2.89Å; S17-S20 PolarHBondContact O-OG 3.15Å; F18-S20 PolarHBondContact O-N 2.86Å; S20-A23 PolarHBondContact O-N 3.1Å; S20-L24 PolarHBondContact O-N 3.48Å
21Y84.2Confident75.1Confident149 Ų14994.5 Ų94.558%0.58449%0.486SS*.Hα-helixtrans-68.5-44.8176.7-172.7-106.8000111.6S17 F18 L19 A23 L24 I25S17-Y21 PolarHBondContact O-N 2.91Å; F18-Y21 PolarHBondContact O-N 3.34Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 2.99Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; Y21-A23 PolarHBondContact O-N 3.29Å; Y21-L24 WeakPolarHBondContact O-CB 3.39Å; Y21-L24 PolarHBondContact O-N 2.95Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; Y21-I25 HydrophobicContact CD1-CD1 3.87Å; Y21-I25 HydrophobicContact CE1-CD1 3.63Å; Y21-I25 HydrophobicContact CE1-CG1 4.31Å; Y21-I25 WeakPolarHBondContact O-CG1 2.94Å; Y21-I25 PolarHBondContact O-N 3.33Å
22I81.3Confident74.3Confident82 Ų8296.8 Ų96.842%0.42149%0.494SS..Hα-helixtrans-59.9-39174-68.2174000111.1F18 L19 L24 P26F18-I22 HydrophobicContact CD1-CD1 3.69Å; F18-I22 HydrophobicContact CE1-CD1 3.23Å; F18-I22 HydrophobicContact CE1-CG1 4.27Å; F18-I22 HydrophobicContact CE2-CD1 4.34Å; F18-I22 HydrophobicContact CG-CD1 4.43Å; F18-I22 HydrophobicContact CZ-CD1 3.61Å; F18-I22 HydrophobicContact CZ-CG1 4.33Å; F18-I22 WeakPolarHBondContact O-CG1 3.37Å; F18-I22 PolarHBondContact O-N 3.42Å; L19-I22 PolarHBondContact O-N 3.09Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-P26 WeakPolarHBondContact O-CD 3.36Å
23A77.5Confident73.6Confident53 Ų5397.3 Ų97.344%0.43850%0.504SS..Hα-helixtrans-70-28.3177.100000113L19 S20 Y21 P26 N27L19-A23 PolarHBondContact O-N 3.36Å; S20-A23 PolarHBondContact O-N 3.1Å; Y21-A23 VanDerWaalsContact C-N 3.28Å; Y21-A23 PolarHBondContact O-N 3.29Å; A23-P26 WeakPolarHBondContact O-CD 3.39Å; A23-N27 PolarHBondContact O-ND2 3.31Å
24L79.9Confident72.7Confident93 Ų9398.4 Ų98.449%0.48751%0.509SS..Hα-helixtrans-73.5-36.8178.3-168.470.8000112.3S20 Y21 I22 N27 L28S20-L24 PolarHBondContact O-N 3.48Å; Y21-L24 WeakPolarHBondContact O-CB 3.39Å; Y21-L24 PolarHBondContact O-N 2.95Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; I22-L24 VanDerWaalsContact C-N 3.32Å; L24-N27 PolarHBondContact O-N 2.88Å; L24-L28 HydrophobicContact CD2-CD1 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.35Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.41Å
25I79.6Confident72Confident78 Ų7894.8 Ų94.840%0.451%0.509SS..Hα-helixtrans-57.6-52.5-177.4-67.3164.8000113.5Y21 N27 L28 L29Y21-I25 HydrophobicContact CD1-CD1 3.87Å; Y21-I25 HydrophobicContact CE1-CD1 3.63Å; Y21-I25 HydrophobicContact CE1-CG1 4.31Å; Y21-I25 WeakPolarHBondContact O-CG1 2.94Å; Y21-I25 PolarHBondContact O-N 3.33Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 3.48Å; I25-L28 PolarHBondContact O-N 3.1Å; I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 PolarHBondContact O-N 3.3Å
26P70.7Confident70.5Confident62 Ų6296.5 Ų96.540%0.40352%0.524SS..Hα-helixtrans-67.8-30.2179.526.1-32.2000111.6I22 A23 L28 L29 L30I22-P26 WeakPolarHBondContact O-CD 3.36Å; A23-P26 WeakPolarHBondContact O-CD 3.39Å; P26-L28 VanDerWaalsContact C-N 3.34Å; P26-L29 PolarHBondContact O-N 2.97Å; P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 2.97Å; P26-L30 WeakPolarHBondContact O-CD1 3.22Å; P26-L30 WeakPolarHBondContact O-CG 3.27Å; P26-L30 PolarHBondContact O-N 2.89Å
27N64.9Low69.4Low81 Ų8195.5 Ų95.543%0.43352%0.519SS..Hα-helixtrans-65.8-36.4173.4-75.4-47.8000112A23 L24 I25 C31A23-N27 PolarHBondContact O-ND2 3.31Å; L24-N27 PolarHBondContact O-N 2.88Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 3.48Å; N27-C31 PolarHBondContact O-SG 3.19Å; N27-C31 VanDerWaalsContact O-SG 3.34Å
28L67Low68.5Low93 Ų9397.6 Ų97.649%0.48753%0.533SS..Hα-helixtrans-74.9-38.1171.6-69.3172.2000112L24 I25 P26 C31 F32L24-L28 HydrophobicContact CD2-CD1 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.03Å; L24-L28 HydrophobicContact CG-CG 4.35Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.41Å; I25-L28 PolarHBondContact O-N 3.1Å; P26-L28 VanDerWaalsContact C-N 3.34Å; L28-C31 WeakPolarHBondContact O-CA 3.38Å; L28-C31 WeakPolarHBondContact O-CB 3.41Å; L28-C31 PolarHBondContact O-N 2.78Å; L28-F32 WeakPolarHBondContact O-CD2 3.38Å; L28-F32 PolarHBondContact O-N 2.95Å
29L67.4Low67.3Low115 Ų11595.7 Ų95.760%0.60254%0.536SS*.Hα-helixtrans-67-37.5179.2-165.972.3000111.5I25 P26 C31 F32 D33I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 PolarHBondContact O-N 3.3Å; P26-L29 PolarHBondContact O-N 2.97Å; L29-C31 PolarHBondContact O-N 3.33Å; L29-F32 PolarHBondContact O-N 2.82Å; L29-D33 PolarHBondContact O-N 3.48Å; L29-D33 VanDerWaalsContact O-N 3.1Å
30L59Low66.3Low128 Ų12893.6 Ų93.667%0.6753%0.531SS*.Hα-helixtrans-60.6-26.6168.6-78.7165.3000112P26 F32P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 2.97Å; P26-L30 WeakPolarHBondContact O-CD1 3.22Å; P26-L30 WeakPolarHBondContact O-CG 3.27Å; P26-L30 PolarHBondContact O-N 2.89Å; L30-F32 VanDerWaalsContact C-N 3.34Å
31C60.2Low65.3Low21 Ų2194.1 Ų94.114%0.14253%0.533CS..Hα-helixtrans-75.1-19.9169.8-63.70000113N27 L28 L29 F48N27-C31 PolarHBondContact O-SG 3.19Å; N27-C31 VanDerWaalsContact O-SG 3.34Å; L28-C31 WeakPolarHBondContact O-CA 3.38Å; L28-C31 WeakPolarHBondContact O-CB 3.41Å; L28-C31 PolarHBondContact O-N 2.78Å; L29-C31 PolarHBondContact O-N 3.33Å; C31-F48 VanDerWaalsContact CA-CE2 3.49Å; C31-F48 HydrophobicContact CB-CE2 4.02Å; C31-F48 HydrophobicContact CB-CZ 3.9Å; C31-F48 WeakPolarHBondContact O-CE2 3.47Å; C31-F48 WeakPolarHBondContact O-CZ 3.47Å
32F62Low64.3Low165 Ų16594.9 Ų94.972%0.72454%0.539SS*.Hα-helixtrans-97.9-25.9-177.2-85.8-80.1000114.5L28 L29 L30 S34L28-F32 WeakPolarHBondContact O-CD2 3.38Å; L28-F32 PolarHBondContact O-N 2.95Å; L29-F32 PolarHBondContact O-N 2.82Å; L30-F32 VanDerWaalsContact C-N 3.34Å; F32-S34 PolarHBondContact O-N 3.33Å; F32-S34 PolarHBondContact O-OG 2.78Å
33D59.4Low63.5Low115 Ų11598.3 Ų98.362%0.61555%0.551SS**  trans-74.670.5177.9-166.710.7000112.2L29 S35L29-D33 PolarHBondContact O-N 3.48Å; L29-D33 VanDerWaalsContact O-N 3.1Å; D33-S35 PolarHBondContact OD1-OG 3.32Å
34S57.5Low62.9Low75 Ų7598.4 Ų98.452%0.52455%0.546SS..  trans-94.11.8171.653.70000112F32 N36F32-S34 PolarHBondContact O-N 3.33Å; F32-S34 PolarHBondContact O-OG 2.78Å; S34-N36 PolarHBondContact O-N 3Å; S34-N36 VanDerWaalsContact O-N 3.15Å
35S61.5Low62.5Low101 Ų101100.3 Ų100.371%0.70655%0.552SS**THydrogen-bonded Turntrans-71.4-8.6-169.736.50000115.7D33D33-S35 PolarHBondContact OD1-OG 3.32Å
36N52.2Low62.2Low145 Ų145103.1 Ų103.178%0.77556%0.564SS**THydrogen-bonded Turntrans-121.717.8-175.8-109.4-3.5000115.4S34 S38S34-N36 PolarHBondContact O-N 3Å; S34-N36 VanDerWaalsContact O-N 3.15Å; N36-S38 VanDerWaalsContact C-N 3.26Å; N36-S38 PolarHBondContact O-N 3.46Å
37I55.2Low62.4Low67 Ų67105.9 Ų105.934%0.34457%0.571SS.*  trans-8273.4178.3-54166.4000109.6V44I37-V44 HydrophobicContact CD1-CB 4.09Å; I37-V44 HydrophobicContact CD1-CG1 3.36Å; I37-V44 HydrophobicContact CG1-CB 4.38Å; I37-V44 HydrophobicContact CG1-CG1 3.79Å; I37-V44 HydrophobicContact CG2-CB 3.61Å; I37-V44 HydrophobicContact CG2-CG1 3.99Å; I37-V44 HydrophobicContact CG2-CG2 3.66Å
38S59.2Low62.9Low113 Ų113105.7 Ų105.779%0.7957%0.567SS**  trans-10015.3176.661.60000114.1N36N36-S38 VanDerWaalsContact C-N 3.26Å; N36-S38 PolarHBondContact O-N 3.46Å
39S57.7Low63.4Low91 Ų91104.6 Ų104.664%0.63657%0.567SS**SBendtrans-136.1102.8174.852.80000111.9
40S57.1Low64.1Low71 Ų71105.8 Ų105.850%0.49757%0.567SS.*  trans59.378.5-17972.40000114.9F42 K43S40-F42 PolarHBondContact O-N 3.34Å; S40-K43 PolarHBondContact O-N 3.39Å
41P57.7Low65.2Low78 Ų78102.7 Ų102.751%0.50655%0.551SS.*Hα-helixtrans-56.6-25.6-17622.5-33.9000114.1Q45P41-Q45 VanDerWaalsContact O-CB 3.24Å; P41-Q45 WeakPolarHBondContact O-CB 3.35Å; P41-Q45 PolarHBondContact O-N 3.46Å
42F64Low66.1Low165 Ų165103.3 Ų103.372%0.72456%0.555SS**Hα-helixtrans-62.4-47.3-179.4-74-80.5000113.7S40 V44 E46S40-F42 PolarHBondContact O-N 3.34Å; F42-V44 PolarHBondContact O-N 2.93Å; F42-E46 WeakPolarHBondContact O-CG 3.46Å; F42-E46 PolarHBondContact O-N 3.37Å
43K63.3Low67.1Low155 Ų15599.2 Ų99.267%0.67455%0.547SS*.Hα-helixtrans-69.6-37-177-72.7-173.3178-1790112.3S40 H47S40-K43 PolarHBondContact O-N 3.39Å; K43-H47 PolarHBondContact O-N 3.4Å
44V64.5Low68.3Low54 Ų54100.5 Ų100.533%0.32754%0.544SS..Hα-helixtrans-76.4-36.1-178.3-170.90000111I37 F42 E46 H47 F48I37-V44 HydrophobicContact CD1-CB 4.09Å; I37-V44 HydrophobicContact CD1-CG1 3.36Å; I37-V44 HydrophobicContact CG1-CB 4.38Å; I37-V44 HydrophobicContact CG1-CG1 3.79Å; I37-V44 HydrophobicContact CG2-CB 3.61Å; I37-V44 HydrophobicContact CG2-CG1 3.99Å; I37-V44 HydrophobicContact CG2-CG2 3.66Å; F42-V44 PolarHBondContact O-N 2.93Å; V44-E46 VanDerWaalsContact C-N 3.35Å; V44-E46 PolarHBondContact O-N 2.94Å; V44-H47 PolarHBondContact O-N 3.25Å; V44-F48 WeakPolarHBondContact O-CB 3.41Å; V44-F48 PolarHBondContact O-N 3.17Å
45Q72.2Confident69.3Low133 Ų13399.6 Ų99.662%0.62153%0.533SS*.Hα-helixtrans-63.2-40.3174.7-171.517414.600112P41 F48 S49P41-Q45 VanDerWaalsContact O-CB 3.24Å; P41-Q45 WeakPolarHBondContact O-CB 3.35Å; P41-Q45 PolarHBondContact O-N 3.46Å; Q45-F48 PolarHBondContact O-N 2.87Å; Q45-S49 WeakPolarHBondContact O-CB 3.48Å; Q45-S49 PolarHBondContact O-N 3.49Å; Q45-S49 PolarHBondContact O-OG 2.85Å
46E73.2Confident70.4Confident137 Ų13799.2 Ų99.264%0.6452%0.523SS*.Hα-helixtrans-61.9-50.2174.1-75.2-179168.400111.6F42 V44 F48 S49 F50F42-E46 WeakPolarHBondContact O-CG 3.46Å; F42-E46 PolarHBondContact O-N 3.37Å; V44-E46 VanDerWaalsContact C-N 3.35Å; V44-E46 PolarHBondContact O-N 2.94Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.24Å; E46-S49 PolarHBondContact O-N 3.11Å; E46-S49 PolarHBondContact O-OG 3.21Å; E46-F50 PolarHBondContact O-N 3.05Å
47H74.8Confident72.1Confident121 Ų12197.8 Ų97.856%0.5651%0.511SS*.Hα-helixtrans-61.9-38.4179-166-96.3000112.3K43 V44 F50 I51K43-H47 PolarHBondContact O-N 3.4Å; V44-H47 PolarHBondContact O-N 3.25Å; H47-F50 WeakPolarHBondContact O-CB 3.21Å; H47-F50 PolarHBondContact O-N 3.43Å; H47-I51 WeakPolarHBondContact ND1-CD1 3.34Å; H47-I51 WeakPolarHBondContact O-CG1 3.27Å; H47-I51 PolarHBondContact O-N 3.48Å
48F75.7Confident73.5Confident76 Ų76100 Ų10033%0.33352%0.518SS..Hα-helixtrans-64.2-48.5176-176.1-91000112.2C31 V44 Q45 E46 F50 I51 C52C31-F48 VanDerWaalsContact CA-CE2 3.49Å; C31-F48 HydrophobicContact CB-CE2 4.02Å; C31-F48 HydrophobicContact CB-CZ 3.9Å; C31-F48 WeakPolarHBondContact O-CE2 3.47Å; C31-F48 WeakPolarHBondContact O-CZ 3.47Å; V44-F48 WeakPolarHBondContact O-CB 3.41Å; V44-F48 PolarHBondContact O-N 3.17Å; Q45-F48 PolarHBondContact O-N 2.87Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.24Å; F48-F50 PolarHBondContact O-N 2.92Å; F48-I51 PolarHBondContact O-N 3.47Å; F48-I51 VanDerWaalsContact O-N 3.15Å; F48-C52 WeakPolarHBondContact CE1-SG 3.26Å; F48-C52 VanDerWaalsContact CZ-SG 3.55Å; F48-C52 PolarHBondContact O-N 3Å
49S77.5Confident74.7Confident70 Ų7097.8 Ų97.849%0.4950%0.503SS..Hα-helixtrans-59.5-36.1177.473.30000111.7Q45 E46 S53Q45-S49 WeakPolarHBondContact O-CB 3.48Å; Q45-S49 PolarHBondContact O-N 3.49Å; Q45-S49 PolarHBondContact O-OG 2.85Å; E46-S49 PolarHBondContact O-N 3.11Å; E46-S49 PolarHBondContact O-OG 3.21Å; S49-S53 VanDerWaalsContact O-CB 3.23Å; S49-S53 WeakPolarHBondContact O-CB 3.42Å; S49-S53 PolarHBondContact O-N 3.33Å
50F83Confident76.1Confident140 Ų140101.5 Ų101.561%0.61450%0.503SS*.Hα-helixtrans-65-47.6174.6-176.8-95.7000112E46 H47 F48 S53 Y54E46-F50 PolarHBondContact O-N 3.05Å; H47-F50 WeakPolarHBondContact O-CB 3.21Å; H47-F50 PolarHBondContact O-N 3.43Å; F48-F50 PolarHBondContact O-N 2.92Å; F50-S53 PolarHBondContact O-N 2.8Å; F50-Y54 WeakPolarHBondContact O-CB 3.48Å; F50-Y54 PolarHBondContact O-N 3.23Å
51I82.1Confident77.7Confident64 Ų64101.6 Ų101.633%0.32850%0.497SS..Hα-helixtrans-61.2-46.4176.9-67.5165.1000111.1H47 F48 S53 Y54 N55H47-I51 WeakPolarHBondContact ND1-CD1 3.34Å; H47-I51 WeakPolarHBondContact O-CG1 3.27Å; H47-I51 PolarHBondContact O-N 3.48Å; F48-I51 PolarHBondContact O-N 3.47Å; F48-I51 VanDerWaalsContact O-N 3.15Å; I51-S53 PolarHBondContact O-N 3.39Å; I51-Y54 PolarHBondContact O-N 2.95Å; I51-N55 WeakPolarHBondContact O-CB 3.48Å; I51-N55 PolarHBondContact O-N 2.96Å; I51-N55 PolarHBondContact O-ND2 2.88Å
52C79Confident79.3Confident34 Ų34103.2 Ų103.223%0.2350%0.496CS..Hα-helixtrans-63.3-43.5178.9-73.10000111.7F48 Y54 N55 I56F48-C52 WeakPolarHBondContact CE1-SG 3.26Å; F48-C52 VanDerWaalsContact CZ-SG 3.55Å; F48-C52 PolarHBondContact O-N 3Å; C52-Y54 VanDerWaalsContact C-N 3.34Å; C52-Y54 PolarHBondContact O-N 3.48Å; C52-N55 PolarHBondContact O-N 3.42Å; C52-I56 VanDerWaalsContact O-CG1 3.27Å; C52-I56 WeakPolarHBondContact O-CG1 3.42Å; C52-I56 PolarHBondContact O-N 3.23Å
53S81.7Confident80.4Confident78 Ų7899.1 Ų99.155%0.54549%0.485SS..Hα-helixtrans-60.8-43.8175.7-172.70000111.7S49 F50 I51 I56 H57S49-S53 VanDerWaalsContact O-CB 3.23Å; S49-S53 WeakPolarHBondContact O-CB 3.42Å; S49-S53 PolarHBondContact O-N 3.33Å; F50-S53 PolarHBondContact O-N 2.8Å; I51-S53 PolarHBondContact O-N 3.39Å; S53-I56 PolarHBondContact O-N 3.46Å; S53-H57 WeakPolarHBondContact O-CB 3.48Å; S53-H57 PolarHBondContact O-N 3.48Å
54Y85.8Confident81.9Confident143 Ų14396.8 Ų96.856%0.56148%0.479SS*.Hα-helixtrans-60.6-46.3175.8-179.3-96.2000112.1F50 I51 C52 I56 H57 F58F50-Y54 WeakPolarHBondContact O-CB 3.48Å; F50-Y54 PolarHBondContact O-N 3.23Å; I51-Y54 PolarHBondContact O-N 2.95Å; C52-Y54 VanDerWaalsContact C-N 3.34Å; C52-Y54 PolarHBondContact O-N 3.48Å; Y54-I56 PolarHBondContact O-N 3.01Å; Y54-H57 PolarHBondContact O-N 3.14Å; Y54-F58 WeakPolarHBondContact O-CB 2.82Å; Y54-F58 PolarHBondContact O-N 2.92Å
55N77.1Confident83.2Confident55 Ų5598.8 Ų98.829%0.29449%0.488SS..Hα-helixtrans-65.2-37.6178.5-77.4-28.8000112.6I51 C52 F58 S59I51-N55 WeakPolarHBondContact O-CB 3.48Å; I51-N55 PolarHBondContact O-N 2.96Å; I51-N55 PolarHBondContact O-ND2 2.88Å; C52-N55 PolarHBondContact O-N 3.42Å; N55-F58 PolarHBondContact O-N 3.37Å; N55-S59 VanDerWaalsContact O-CB 3.26Å; N55-S59 WeakPolarHBondContact O-CB 3.5Å; N55-S59 PolarHBondContact O-N 3.4Å
56I85.9Confident84.1Confident94 Ų9496.6 Ų96.648%0.48248%0.48SS..Hα-helixtrans-64.6-44.4174.7-70165.9000110.4C52 S53 Y54 S59 R60C52-I56 VanDerWaalsContact O-CG1 3.27Å; C52-I56 WeakPolarHBondContact O-CG1 3.42Å; C52-I56 PolarHBondContact O-N 3.23Å; S53-I56 PolarHBondContact O-N 3.46Å; Y54-I56 PolarHBondContact O-N 3.01Å; I56-S59 PolarHBondContact O-N 3.4Å; I56-R60 WeakPolarHBondContact O-CG 3.36Å; I56-R60 PolarHBondContact O-N 3Å; I56-R60 VanDerWaalsContact O-N 3.09Å
57H87.7Confident85.2Confident114 Ų11497.6 Ų97.653%0.52848%0.478SS..Hα-helixtrans-63.6-44.9178-169.8-97.6000111.5S53 Y54 R60 I61S53-H57 WeakPolarHBondContact O-CB 3.48Å; S53-H57 PolarHBondContact O-N 3.48Å; Y54-H57 PolarHBondContact O-N 3.14Å; H57-R60 PolarHBondContact O-N 3.03Å; H57-I61 VanDerWaalsContact CE1-CD1 3.41Å; H57-I61 WeakPolarHBondContact CE1-CD1 3.38Å; H57-I61 WeakPolarHBondContact ND1-CD1 3.33Å; H57-I61 WeakPolarHBondContact O-CG1 3.38Å; H57-I61 PolarHBondContact O-N 2.98Å; H57-I61 VanDerWaalsContact O-N 3.1Å
58F85.5Confident86.2Confident114 Ų11495.7 Ų95.750%0.547%0.471SS..Hα-helixtrans-61.9-44.4176.2-175.5-100.5000112.1Y54 N55 R60 I61 F62Y54-F58 WeakPolarHBondContact O-CB 2.82Å; Y54-F58 PolarHBondContact O-N 2.92Å; N55-F58 PolarHBondContact O-N 3.37Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 2.89Å; F58-I61 PolarHBondContact O-N 2.91Å; F58-F62 WeakPolarHBondContact O-CB 3.38Å; F58-F62 PolarHBondContact O-N 2.86Å
59S82.8Confident87.2Confident66 Ų6696.9 Ų96.946%0.46248%0.481SS..Hα-helixtrans-60-40.1177.3-178.90000112.5N55 I56 F62 T63N55-S59 VanDerWaalsContact O-CB 3.26Å; N55-S59 WeakPolarHBondContact O-CB 3.5Å; N55-S59 PolarHBondContact O-N 3.4Å; I56-S59 PolarHBondContact O-N 3.4Å; S59-F62 PolarHBondContact O-N 2.97Å; S59-T63 WeakPolarHBondContact O-CB 3.34Å; S59-T63 PolarHBondContact O-N 3.35Å; S59-T63 PolarHBondContact O-OG1 3.31Å
60R87.1Confident88Confident170 Ų17096.4 Ų96.464%0.64248%0.475SS*.Hα-helixtrans-63.1-48.1174.1-72.1174.3179.3177.10.9112I56 H57 F58 F62 T63 L64I56-R60 WeakPolarHBondContact O-CG 3.36Å; I56-R60 PolarHBondContact O-N 3Å; I56-R60 VanDerWaalsContact O-N 3.09Å; H57-R60 PolarHBondContact O-N 3.03Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 2.89Å; R60-F62 VanDerWaalsContact C-N 3.33Å; R60-F62 PolarHBondContact O-N 3.29Å; R60-T63 PolarHBondContact O-N 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.49Å; R60-L64 PolarHBondContact O-N 3.37Å
61I90.7Very high88.6Confident72 Ų7293.4 Ų93.437%0.36946%0.462SS..Hα-helixtrans-60.3-45.2177.2-68.3169.3000110.6H57 F58 T63 L64 N65H57-I61 VanDerWaalsContact CE1-CD1 3.41Å; H57-I61 WeakPolarHBondContact CE1-CD1 3.38Å; H57-I61 WeakPolarHBondContact ND1-CD1 3.33Å; H57-I61 WeakPolarHBondContact O-CG1 3.38Å; H57-I61 PolarHBondContact O-N 2.98Å; H57-I61 VanDerWaalsContact O-N 3.1Å; F58-I61 PolarHBondContact O-N 2.91Å; I61-T63 PolarHBondContact O-N 2.88Å; I61-L64 PolarHBondContact O-N 3.03Å; I61-N65 WeakPolarHBondContact O-CB 3.35Å; I61-N65 PolarHBondContact O-N 2.96Å; I61-N65 PolarHBondContact O-ND2 3.38Å
62F91.4Very high89.2Confident112 Ų11295.1 Ų95.149%0.49147%0.472SS..Hα-helixtrans-60.7-44.7178.6-177.5-96.5000111.9F58 S59 R60 L64 N65 L66F58-F62 WeakPolarHBondContact O-CB 3.38Å; F58-F62 PolarHBondContact O-N 2.86Å; S59-F62 PolarHBondContact O-N 2.97Å; R60-F62 VanDerWaalsContact C-N 3.33Å; R60-F62 PolarHBondContact O-N 3.29Å; F62-L64 PolarHBondContact O-N 3.27Å; F62-N65 PolarHBondContact O-N 3.41Å; F62-L66 HydrophobicContact CE1-CD2 4.45Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 PolarHBondContact O-N 3.48Å
63T88.5Confident90.1Very high80 Ų8097.1 Ų97.149%0.49148%0.482SS..Hα-helixtrans-64.6-40178.6-55.50000111.8S59 R60 I61 L66 W67S59-T63 WeakPolarHBondContact O-CB 3.34Å; S59-T63 PolarHBondContact O-N 3.35Å; S59-T63 PolarHBondContact O-OG1 3.31Å; R60-T63 PolarHBondContact O-N 3.29Å; I61-T63 PolarHBondContact O-N 2.88Å; T63-L66 PolarHBondContact O-N 2.71Å; T63-W67 WeakPolarHBondContact O-CB 3.46Å; T63-W67 PolarHBondContact O-N 3.49Å
64L94.6Very high90.6Very high106 Ų106100.9 Ų100.956%0.55549%0.485SS*.Hα-helixtrans-63.7-46.4174.8-73168.7000111.7R60 I61 F62 L66 W67 I68R60-L64 WeakPolarHBondContact O-CG 3.49Å; R60-L64 PolarHBondContact O-N 3.37Å; I61-L64 PolarHBondContact O-N 3.03Å; F62-L64 PolarHBondContact O-N 3.27Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.03Å; L64-W67 WeakPolarHBondContact O-CB 3.18Å; L64-W67 PolarHBondContact O-N 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 3.42Å
65N90.4Very high91Very high95 Ų9599.1 Ų99.151%0.50848%0.484SS..Hα-helixtrans-63.1-41.4177.5-74.3-25.8000112I61 F62 W67 I68 L69I61-N65 WeakPolarHBondContact O-CB 3.35Å; I61-N65 PolarHBondContact O-N 2.96Å; I61-N65 PolarHBondContact O-ND2 3.38Å; F62-N65 PolarHBondContact O-N 3.41Å; N65-W67 VanDerWaalsContact C-N 3.33Å; N65-I68 PolarHBondContact O-N 3.49Å; N65-L69 WeakPolarHBondContact O-CB 3.42Å; N65-L69 PolarHBondContact O-N 3.47Å
66L91.7Very high91.9Very high87 Ų87103 Ų10346%0.45550%0.499SS..Hα-helixtrans-63.5-40.8175.5-174.464.2000111.3F62 T63 L64 L69 V70F62-L66 HydrophobicContact CE1-CD2 4.45Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 PolarHBondContact O-N 3.48Å; T63-L66 PolarHBondContact O-N 2.71Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.03Å; L66-L69 HydrophobicContact CD1-CD2 4.47Å; L66-L69 WeakPolarHBondContact O-CB 3.4Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-V70 WeakPolarHBondContact O-CG2 3.01Å; L66-V70 PolarHBondContact O-N 3Å
67W95.5Very high92.2Very high159 Ų159102.9 Ų102.960%0.60250%0.499SS*.Hα-helixtrans-62.5-47175.8-178.778.7000111.8T63 L64 N65 L69 V70 Q71T63-W67 WeakPolarHBondContact O-CB 3.46Å; T63-W67 PolarHBondContact O-N 3.49Å; L64-W67 WeakPolarHBondContact O-CB 3.18Å; L64-W67 PolarHBondContact O-N 3.32Å; N65-W67 VanDerWaalsContact C-N 3.33Å; W67-L69 VanDerWaalsContact C-N 3.32Å; W67-L69 PolarHBondContact O-N 2.89Å; W67-V70 PolarHBondContact O-N 3.23Å; W67-Q71 HydrophobicContact CD2-CG 4.32Å; W67-Q71 HydrophobicContact CZ2-CG 4.22Å; W67-Q71 WeakPolarHBondContact O-CG 3.34Å; W67-Q71 PolarHBondContact O-N 2.91Å
68I97.6Very high92.4Very high81 Ų81102 Ų10242%0.41550%0.498SS..Hα-helixtrans-57.7-46.5175.1-67.5163.5000110.5L64 N65 V70 Q71 L72L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 3.42Å; N65-I68 PolarHBondContact O-N 3.49Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.36Å; I68-Q71 PolarHBondContact O-N 3.2Å; I68-Q71 VanDerWaalsContact O-N 3.14Å; I68-L72 HydrophobicContact CG2-CD1 4.09Å; I68-L72 HydrophobicContact CG2-CG 4.37Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å
69L95.6Very high92.7Very high101 Ų10199.8 Ų99.853%0.52950%0.496SS..Hα-helixtrans-57.4-45.1177.9-177.966.3000111.6N65 L66 W67 Q71 L72 V73N65-L69 WeakPolarHBondContact O-CB 3.42Å; N65-L69 PolarHBondContact O-N 3.47Å; L66-L69 HydrophobicContact CD1-CD2 4.47Å; L66-L69 WeakPolarHBondContact O-CB 3.4Å; L66-L69 PolarHBondContact O-N 3.46Å; W67-L69 VanDerWaalsContact C-N 3.32Å; W67-L69 PolarHBondContact O-N 2.89Å; L69-Q71 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 3.1Å; L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 2.91Å
70V95.5Very high93Very high60 Ų60101.5 Ų101.536%0.36450%0.495SS..Hα-helixtrans-63.7-39.7177.2171.30000111.7L66 W67 I68 V73 R74L66-V70 WeakPolarHBondContact O-CG2 3.01Å; L66-V70 PolarHBondContact O-N 3Å; W67-V70 PolarHBondContact O-N 3.23Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.36Å; V70-V73 PolarHBondContact O-N 3.36Å; V70-R74 WeakPolarHBondContact O-CG 3.27Å; V70-R74 PolarHBondContact O-N 2.84Å
71Q95Very high92.9Very high76 Ų76100.5 Ų100.536%0.35550%0.496SS..Hα-helixtrans-65.9-39.7175.6-61.8-56.3-17.400112.1W67 I68 L69 R74 L75W67-Q71 HydrophobicContact CD2-CG 4.32Å; W67-Q71 HydrophobicContact CZ2-CG 4.22Å; W67-Q71 WeakPolarHBondContact O-CG 3.34Å; W67-Q71 PolarHBondContact O-N 2.91Å; I68-Q71 PolarHBondContact O-N 3.2Å; I68-Q71 VanDerWaalsContact O-N 3.14Å; L69-Q71 PolarHBondContact O-N 3.39Å; Q71-R74 PolarHBondContact O-N 3.2Å; Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 PolarHBondContact O-N 3.34Å
72L95.2Very high92.5Very high101 Ų101101.2 Ų101.253%0.52950%0.5SS..Hα-helixtrans-62.3-42.9174.9-70.9174.5000111.6I68 L69 L75 F76I68-L72 HydrophobicContact CG2-CD1 4.09Å; I68-L72 HydrophobicContact CG2-CG 4.37Å; I68-L72 WeakPolarHBondContact O-CG 3.44Å; I68-L72 PolarHBondContact O-N 2.99Å; L69-L72 PolarHBondContact O-N 3.1Å; L72-L75 PolarHBondContact O-N 3.17Å; L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.42Å; L72-F76 PolarHBondContact O-N 3.09Å
73V96.3Very high92.2Very high75 Ų7598.8 Ų98.846%0.45550%0.497SS..Hα-helixtrans-63.1-42.4175.6172.30000111L69 V70 F76 L77L69-V73 WeakPolarHBondContact O-CG2 3.42Å; L69-V73 PolarHBondContact O-N 2.91Å; V70-V73 PolarHBondContact O-N 3.36Å; V73-F76 PolarHBondContact O-N 3.3Å; V73-L77 HydrophobicContact CG1-CD1 4.11Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CB 3.28Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.28Å
74R93Very high91.8Very high158 Ų15899.3 Ų99.360%0.59649%0.492SS*.Hα-helixtrans-63.1-45176.3-74.9176.7178.4-168.8-0.2112.1V70 Q71 F76 L77 L78V70-R74 WeakPolarHBondContact O-CG 3.27Å; V70-R74 PolarHBondContact O-N 2.84Å; Q71-R74 PolarHBondContact O-N 3.2Å; R74-F76 VanDerWaalsContact C-N 3.34Å; R74-L77 PolarHBondContact O-N 2.87Å; R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 3.31Å
75L94.7Very high90.8Very high105 Ų105104.5 Ų104.555%0.5550%0.504SS..Hα-helixtrans-62-44176.3-177.266.2000111Q71 L72 L77 L78 S79Q71-L75 WeakPolarHBondContact O-CB 3.33Å; Q71-L75 PolarHBondContact O-N 3.34Å; L72-L75 PolarHBondContact O-N 3.17Å; L75-L77 PolarHBondContact O-N 3.26Å; L75-L78 PolarHBondContact O-N 3.27Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.48Å
76F95.1Very high90Very high138 Ų138104.3 Ų104.361%0.60551%0.51SS*.Hα-helixtrans-59.2-47.8176.1178.7-98.3000111.7L72 V73 R74 L78 S79 F80L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.42Å; L72-F76 PolarHBondContact O-N 3.09Å; V73-F76 PolarHBondContact O-N 3.3Å; R74-F76 VanDerWaalsContact C-N 3.34Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.87Å; F76-S79 PolarHBondContact O-N 3.49Å; F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 PolarHBondContact O-N 2.86Å
77L92.3Very high88.7Confident91 Ų91108.1 Ų108.148%0.47652%0.519SS..Hα-helixtrans-63.8-35.1176.7-70.1175.1000112.5V73 R74 L75 F80 K81V73-L77 HydrophobicContact CG1-CD1 4.11Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CB 3.28Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.28Å; R74-L77 PolarHBondContact O-N 2.87Å; L75-L77 PolarHBondContact O-N 3.26Å; L77-F80 PolarHBondContact O-N 2.83Å; L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CG 3.47Å; L77-K81 PolarHBondContact O-N 3.49Å
78L92.3Very high86.9Confident96 Ų96106 Ų10650%0.50353%0.525SS..Hα-helixtrans-67.3-45.9175.7-172.569000111.1R74 L75 F76 F80 K81 N82R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 3.31Å; L75-L78 PolarHBondContact O-N 3.27Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 2.87Å; L78-F80 VanDerWaalsContact C-N 3.31Å; L78-F80 PolarHBondContact O-N 3.06Å; L78-K81 PolarHBondContact O-N 2.94Å; L78-N82 WeakPolarHBondContact O-CB 3.34Å; L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 2.85Å; L78-N82 PolarHBondContact O-ND2 3.07Å
79S91Very high85Confident66 Ų66109 Ų10946%0.46254%0.536SS..Hα-helixtrans-61.4-40.4174.4-660000111.8L75 F76 N82 C83L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.48Å; F76-S79 PolarHBondContact O-N 3.49Å; S79-N82 PolarHBondContact O-N 2.91Å; S79-C83 VanDerWaalsContact O-CB 3.31Å; S79-C83 WeakPolarHBondContact O-CB 3.47Å; S79-C83 PolarHBondContact O-N 3.22Å
80F89.9Confident82.9Confident102 Ų102110.1 Ų110.145%0.44755%0.546SS..Hα-helixtrans-62.4-49.8173.8-167.7-90.5000110.8F76 L77 L78 N82 C83 F84F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 PolarHBondContact O-N 2.86Å; L77-F80 PolarHBondContact O-N 2.83Å; L78-F80 VanDerWaalsContact C-N 3.31Å; L78-F80 PolarHBondContact O-N 3.06Å; F80-N82 PolarHBondContact O-N 3.15Å; F80-C83 PolarHBondContact O-N 2.71Å; F80-C83 VanDerWaalsContact O-N 3.15Å; F80-F84 AromaticContact CD1-CD2 3.62Å; F80-F84 HydrophobicContact CD1-CD2 3.62Å; F80-F84 AromaticContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CG 4.5Å; F80-F84 HydrophobicContact CD2-CD2 4Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.43Å; F80-F84 HydrophobicContact CE1-CD2 3.43Å; F80-F84 VanDerWaalsContact CE1-CD2 3.43Å; F80-F84 AromaticContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CE2 3.48Å; F80-F84 VanDerWaalsContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CG 4.15Å; F80-F84 HydrophobicContact CE1-CZ 4.17Å; F80-F84 AromaticContact CE2-CD2 3.85Å; F80-F84 HydrophobicContact CE2-CD2 3.85Å; F80-F84 AromaticContact CE2-CE2 3.13Å; F80-F84 HydrophobicContact CE2-CE2 3.13Å; F80-F84 AromaticContact CE2-CZ 3.86Å; F80-F84 HydrophobicContact CE2-CZ 3.86Å; F80-F84 AromaticContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CE2 4.03Å; F80-F84 AromaticContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CE1 4.43Å; F80-F84 AromaticContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CG 4.46Å; F80-F84 AromaticContact CZ-CZ 3.53Å; F80-F84 HydrophobicContact CZ-CZ 3.53Å; F80-F84 VanDerWaalsContact O-CD2 3.31Å; F80-F84 WeakPolarHBondContact O-CD2 3.08Å; F80-F84 PolarHBondContact O-N 3.36Å
81K85.1Confident81Confident150 Ų150118.2 Ų118.265%0.65257%0.571SS**Hα-helixtrans-56.1-40.2174.9-78-179.3179.5-1770111.8L77 L78 R85L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CG 3.47Å; L77-K81 PolarHBondContact O-N 3.49Å; L78-K81 PolarHBondContact O-N 2.94Å; K81-R85 WeakPolarHBondContact O-CB 3.31Å; K81-R85 PolarHBondContact O-N 3.12Å
82N82.4Confident79.3Confident87 Ų87121 Ų12147%0.46559%0.593SS.*Hα-helixtrans-70-40.7177.4-71.1-17.7000112.7L78 S79 F80 R85 S86L78-N82 WeakPolarHBondContact O-CB 3.34Å; L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 2.85Å; L78-N82 PolarHBondContact O-ND2 3.07Å; S79-N82 PolarHBondContact O-N 2.91Å; F80-N82 PolarHBondContact O-N 3.15Å; N82-R85 PolarHBondContact O-N 2.93Å; N82-S86 PolarHBondContact O-N 3.23Å; N82-S86 VanDerWaalsContact O-N 3.09Å; N82-S86 PolarHBondContact O-OG 3.34Å
83C84.4Confident77.6Confident61 Ų61126.5 Ų126.541%0.41261%0.608SS.*Hα-helixtrans-63.8-40.8176.8-174.20000112.1S79 F80 S86 R87S79-C83 VanDerWaalsContact O-CB 3.31Å; S79-C83 WeakPolarHBondContact O-CB 3.47Å; S79-C83 PolarHBondContact O-N 3.22Å; F80-C83 PolarHBondContact O-N 2.71Å; F80-C83 VanDerWaalsContact O-N 3.15Å; C83-S86 PolarHBondContact O-OG 2.78Å; C83-S86 VanDerWaalsContact O-OG 3.12Å; C83-R87 PolarHBondContact O-N 3.17Å
84F81.3Confident75.1Confident91 Ų91137 Ų13740%0.39964%0.642SS.*Hα-helixtrans-82.7-18176.2-76.7-91.3000113.4F80 F89F80-F84 AromaticContact CD1-CD2 3.62Å; F80-F84 HydrophobicContact CD1-CD2 3.62Å; F80-F84 AromaticContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CE2 3.96Å; F80-F84 HydrophobicContact CD1-CG 4.5Å; F80-F84 HydrophobicContact CD2-CD2 4Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.43Å; F80-F84 HydrophobicContact CE1-CD2 3.43Å; F80-F84 VanDerWaalsContact CE1-CD2 3.43Å; F80-F84 AromaticContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CE2 3.48Å; F80-F84 VanDerWaalsContact CE1-CE2 3.48Å; F80-F84 HydrophobicContact CE1-CG 4.15Å; F80-F84 HydrophobicContact CE1-CZ 4.17Å; F80-F84 AromaticContact CE2-CD2 3.85Å; F80-F84 HydrophobicContact CE2-CD2 3.85Å; F80-F84 AromaticContact CE2-CE2 3.13Å; F80-F84 HydrophobicContact CE2-CE2 3.13Å; F80-F84 AromaticContact CE2-CZ 3.86Å; F80-F84 HydrophobicContact CE2-CZ 3.86Å; F80-F84 AromaticContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CD2 3.91Å; F80-F84 HydrophobicContact CG-CE2 4.03Å; F80-F84 AromaticContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CD2 3.56Å; F80-F84 HydrophobicContact CZ-CE1 4.43Å; F80-F84 AromaticContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CE2 3.04Å; F80-F84 HydrophobicContact CZ-CG 4.46Å; F80-F84 AromaticContact CZ-CZ 3.53Å; F80-F84 HydrophobicContact CZ-CZ 3.53Å; F80-F84 VanDerWaalsContact O-CD2 3.31Å; F80-F84 WeakPolarHBondContact O-CD2 3.08Å; F80-F84 PolarHBondContact O-N 3.36Å; F84-F89 HydrophobicContact CD1-CD2 4.32Å; F84-F89 HydrophobicContact CE1-CD2 4.4Å; F84-F89 HydrophobicContact CE1-CE2 4.26Å
85R73.6Confident74.2Confident214 Ų214136 Ų13681%0.80864%0.644SS**Hα-helixtrans-73.6-34.7170.7-176.7175.8-177.5174.91.6111.8K81 N82K81-R85 WeakPolarHBondContact O-CB 3.31Å; K81-R85 PolarHBondContact O-N 3.12Å; N82-R85 PolarHBondContact O-N 2.93Å
86S71.8Confident73.1Confident91 Ų91137.6 Ų137.664%0.63665%0.649SS**Hα-helixtrans-82.9-16.4177.660.70000113.9N82 C83 P88N82-S86 PolarHBondContact O-N 3.23Å; N82-S86 VanDerWaalsContact O-N 3.09Å; N82-S86 PolarHBondContact O-OG 3.34Å; C83-S86 PolarHBondContact O-OG 2.78Å; C83-S86 VanDerWaalsContact O-OG 3.12Å; S86-P88 VanDerWaalsContact O-CD 3.27Å; S86-P88 WeakPolarHBondContact O-CD 3.27Å
87R65.2Low71.9Confident167 Ų167137.6 Ų137.663%0.6365%0.652SS**SBendtrans-96.399.6167.9-66-172.1-177.9-148.80.5108.6C83 F89C83-R87 PolarHBondContact O-N 3.17Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 2.88Å
88P57.4Low70.7Confident115 Ų115140.4 Ų140.475%0.74766%0.662SS**  trans-60.2101.3171.526.1-32.2000107.8S86 V90S86-P88 VanDerWaalsContact O-CD 3.27Å; S86-P88 WeakPolarHBondContact O-CD 3.27Å; P88-V90 PolarHBondContact O-N 3.37Å
89F57.5Low69.4Low144 Ų144143.1 Ų143.163%0.63267%0.672SS**  trans-78.243.6178.7-141.9-87.6000110.5F84 R87 Y93F84-F89 HydrophobicContact CD1-CD2 4.32Å; F84-F89 HydrophobicContact CE1-CD2 4.4Å; F84-F89 HydrophobicContact CE1-CE2 4.26Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 2.88Å; F89-Y93 HydrophobicContact CE1-CD2 4.28Å; F89-Y93 AromaticContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CZ-CE2 4.47Å
90V52.4Low67.9Low124 Ų124148.3 Ų148.375%0.75269%0.686SS**SBendtrans-139.577.1175.4-1710000108.3P88P88-V90 PolarHBondContact O-N 3.37Å
91R55.2Low66.4Low231 Ų231151.6 Ų151.687%0.87270%0.703SS**SBendtrans164.254.6144.6-92.4-177.2-175.6-176.62.8112
92T58.6Low64.9Low135 Ų135151.7 Ų151.783%0.82871%0.707SS**  trans-158.635.9161.225.90000112.7Y94T92-Y94 VanDerWaalsContact C-N 3.31Å
93Y60.5Low63.5Low216 Ų216157.1 Ų157.185%0.84773%0.727SS**  trans-103.661.3146.8-90.7-79.5000107.7F89F89-Y93 HydrophobicContact CE1-CD2 4.28Å; F89-Y93 AromaticContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CE1-CE2 3.98Å; F89-Y93 HydrophobicContact CZ-CE2 4.47Å
94Y44Very low61.6Low296 Ų296165.8 Ų165.8100%1.16176%0.756SS**  trans-79.10142.5-104.9-80.1000106.5T92T92-Y94 VanDerWaalsContact C-N 3.31Å

Retrieved 94 of 94 residues in 180.9 ms (Link to these results)