G4VSD4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VSD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M53.5Low64.9Low231 Ų231149.1 Ų149.1100%1.13877%0.766SS**  0106.70-74.4-6716900107.6
2P55.8Low66.1Low97 Ų97146.6 Ų146.663%0.6377%0.767SS**  trans-75.4127.3179.130.9-28.9000109.1Y4P2-Y4 HydrophobicContact CG-CE2 4.04Å; P2-Y4 PolarHBondContact O-N 3.06Å
3L57.6Low67.2Low176 Ų176147.2 Ų147.292%0.92177%0.769SS**  trans-77.3105172.5-75.3163.8000108N5L3-N5 PolarHBondContact O-N 2.97Å
4Y57.5Low68Low199 Ų199145.4 Ų145.478%0.7875%0.754SS**  trans-68.9119.3170.7-70.1-86.8000108.9P2 T6P2-Y4 HydrophobicContact CG-CE2 4.04Å; P2-Y4 PolarHBondContact O-N 3.06Å; Y4-T6 PolarHBondContact O-N 3.37Å; Y4-T6 VanDerWaalsContact O-N 3.12Å
5N60.6Low68.5Low144 Ų144142.2 Ų142.277%0.7775%0.746SS**  trans-71.1103.3173.9-16910000108.6L3 V7L3-N5 PolarHBondContact O-N 2.97Å; N5-V7 PolarHBondContact O-N 2.84Å
6T62.6Low69.1Low115 Ų115141.1 Ų141.171%0.70675%0.75SS**  trans-75.192.2171.552.50000108.1Y4 L8Y4-T6 PolarHBondContact O-N 3.37Å; Y4-T6 VanDerWaalsContact O-N 3.12Å; T6-L8 PolarHBondContact O-N 3.39Å
7V68.8Low69.1Low124 Ų124143.1 Ų143.175%0.75275%0.745SS**  trans-61.4106.9168.3179.70000107N5 Y9N5-V7 PolarHBondContact O-N 2.84Å; V7-Y9 PolarHBondContact O-N 3.3Å; V7-Y9 VanDerWaalsContact O-N 3.12Å
8L70.8Confident69.1Low149 Ų149143.3 Ų143.378%0.7875%0.746SS**  trans-67.2106.9172.5-74.6164.9000107.7T6 I10T6-L8 PolarHBondContact O-N 3.39Å; L8-I10 PolarHBondContact O-N 3Å
9Y73.1Confident68.5Low192 Ų192140.8 Ų140.875%0.75374%0.737SS**  trans-68.9110.2168.2-179.9-97.6000108.4V7 P11V7-Y9 PolarHBondContact O-N 3.3Å; V7-Y9 VanDerWaalsContact O-N 3.12Å; Y9-P11 HydrophobicContact CE1-CB 3.93Å
10I75.8Confident67.6Low136 Ų136140.4 Ų140.470%0.69774%0.736SS**  trans-97.9112.8169.3-57.2176.7000106.5L8L8-I10 PolarHBondContact O-N 3Å
11P78.4Confident67Low77 Ų77142.2 Ų142.250%0.574%0.738SS.*PPolyproline II helixtrans-62.7149.117622.8-29.5000110.7Y9 I13Y9-P11 HydrophobicContact CE1-CB 3.93Å; P11-I13 PolarHBondContact O-N 2.94Å
12P78.6Confident67Low119 Ų119136.9 Ų136.977%0.77371%0.714SS**PPolyproline II helixtrans-58.9127.1177.4-17.629000110.5
13I80Confident66.8Low155 Ų155137.3 Ų137.380%0.79572%0.719SS**PPolyproline II helixtrans-83117.1171-58.8172.7000106.6P11P11-I13 PolarHBondContact O-N 2.94Å
14E78.4Confident66.5Low121 Ų121133.2 Ų133.257%0.56571%0.706SS**PPolyproline II helixtrans-69.4129.2174.3-159.7171.9-176.900109R17E14-R17 IonicContact OE1-CZ 3.15Å; E14-R17 IonicContact OE1-NE 2.86Å; E14-R17 PolarHBondContact OE1-NE 3.35Å; E14-R17 IonicContact OE1-NH2 2.65Å; E14-R17 PolarHBondContact OE1-NH2 2.92Å
15P76.6Confident66.2Low98 Ų98129.3 Ų129.364%0.63670%0.702SS**PPolyproline II helixtrans-61.1148.2177.423.8-31.4000109.9R17P15-R17 PolarHBondContact O-N 3.49Å
16P77Confident65.8Low124 Ų124127.2 Ų127.281%0.80570%0.699SS**  trans-55.2114.3-18020.9-30.4000109.1I18P16-I18 PolarHBondContact O-N 3.38Å
17R70.1Confident65.4Low176 Ų176129.1 Ų129.166%0.66470%0.7SS**  trans-69.2117.2172.7-64.3-170.8179.4-1692106.5E14 P15 T19E14-R17 IonicContact OE1-CZ 3.15Å; E14-R17 IonicContact OE1-NE 2.86Å; E14-R17 PolarHBondContact OE1-NE 3.35Å; E14-R17 IonicContact OE1-NH2 2.65Å; E14-R17 PolarHBondContact OE1-NH2 2.92Å; P15-R17 PolarHBondContact O-N 3.49Å; R17-T19 HydrophobicContact CB-CG2 4.08Å; R17-T19 PolarHBondContact O-N 3.28Å
18I69.1Low64.9Low147 Ų147128.8 Ų128.875%0.75470%0.698SS**  trans-7372.3164.1-52169.1000105.7P16 F21P16-I18 PolarHBondContact O-N 3.38Å; I18-F21 HydrophobicContact CG2-CD2 4.27Å
19T56.5Low64.4Low95 Ų95129.2 Ų129.258%0.58370%0.701SS**  trans-89.3132.2161.945.70000105.6R17R17-T19 HydrophobicContact CB-CG2 4.08Å; R17-T19 PolarHBondContact O-N 3.28Å
20D51.7Low64.1Low133 Ų133122.6 Ų122.671%0.71168%0.679SS**  trans89.350.6-176.2-37.4-24.8000112.7D22D20-D22 PolarHBondContact O-N 3.05Å
21F53.9Low64.5Low179 Ų179120.9 Ų120.979%0.78567%0.671SS**  trans-64.978.2135-124.1-85.8000105.9I18 S23I18-F21 HydrophobicContact CG2-CD2 4.27Å; F21-S23 PolarHBondContact O-N 3.35Å
22D53.5Low64.7Low118 Ų118127.9 Ų127.963%0.63169%0.687SS**  trans-60.595.3164.1-84.9-29.5000105.6D20 S24D20-D22 PolarHBondContact O-N 3.05Å; D22-S24 PolarHBondContact O-N 3.15Å
23S52.7Low65Low106 Ų106128.2 Ų128.274%0.74168%0.68SS**  trans-63.940.9165.5-80.80000110.8F21 T25F21-S23 PolarHBondContact O-N 3.35Å; S23-T25 VanDerWaalsContact C-N 3.34Å
24S50.5Low65.3Low91 Ų91125.7 Ų125.764%0.63666%0.664SS**  trans-93.611175.662.40000112.2D22 S26D22-S24 PolarHBondContact O-N 3.15Å; S24-S26 PolarHBondContact O-N 3.15Å
25T51.2Low65.8Low116 Ų116124.3 Ų124.371%0.71266%0.659SS**  trans-84.562.6155.953.90000109.4S23 H27S23-T25 VanDerWaalsContact C-N 3.34Å; T25-H27 PolarHBondContact O-N 3.43Å
26S53.1Low66.5Low101 Ų101122.1 Ų122.171%0.70665%0.65SS**  trans-72.764.9164.963.80000109.5S24S24-S26 PolarHBondContact O-N 3.15Å
27H54.4Low67.1Low154 Ų154122.4 Ų122.471%0.71364%0.64SS**  trans-111.411.9166.5-103.2-54.1000111.9T25 N29T25-H27 PolarHBondContact O-N 3.43Å; H27-N29 PolarHBondContact O-N 3.11Å; H27-N29 VanDerWaalsContact O-N 3.11Å
28T56.9Low68.2Low117 Ų117118.9 Ų118.972%0.71864%0.638SS**THydrogen-bonded Turntrans-77.38.9-172.5490000115.3
29N61.4Low69.4Low159 Ų159117.9 Ų117.985%0.8563%0.63SS**THydrogen-bonded Turntrans-115.77.4-173.5-85.2-37.7000115.8H27H27-N29 PolarHBondContact O-N 3.11Å; H27-N29 VanDerWaalsContact O-N 3.11Å
30D67.1Low71.1Confident53 Ų53116 Ų11628%0.28362%0.624SS.*SBendtrans-121.2-20.9-174.4-163.523.4000114.2R32 M33 K34D30-R32 PolarHBondContact O-N 3.43Å; D30-M33 PolarHBondContact O-N 3.32Å; D30-M33 WeakPolarHBondContact OD1-CE 3.26Å; D30-K34 WeakPolarHBondContact O-CG 3.35Å; D30-K34 PolarHBondContact O-N 2.91Å; D30-K34 WeakPolarHBondContact OD2-CE 3.32Å; D30-K34 IonicContact OD2-NZ 2.86Å; D30-K34 PolarHBondContact OD2-NZ 3.42Å
31D82.7Confident73.1Confident99 Ų99113.3 Ų113.353%0.52962%0.615SS.*Hα-helixtrans-69-36.2-175.8-63.2-21.4000112.3M33 K34 I35D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 3.39Å; D31-K34 PolarHBondContact O-N 3.27Å; D31-I35 WeakPolarHBondContact O-CB 3.1Å; D31-I35 WeakPolarHBondContact O-CD1 3.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.43Å; D31-I35 PolarHBondContact O-N 2.88Å
32R83.2Confident75Confident224 Ų224110.2 Ų110.285%0.84560%0.601SS**Hα-helixtrans-64.5-33.5176-66.2-171.771.6-173.82.1112.5D30 A36D30-R32 PolarHBondContact O-N 3.43Å; R32-A36 WeakPolarHBondContact O-CB 3.24Å; R32-A36 PolarHBondContact O-N 3.16Å; R32-A36 VanDerWaalsContact O-N 3.11Å
33M84.8Confident76.8Confident127 Ų127111.5 Ų111.563%0.62660%0.603SS**Hα-helixtrans-73.4-42.8177.9-172.5161.766.600110.8D30 D31 I35 A36 E37D30-M33 PolarHBondContact O-N 3.32Å; D30-M33 WeakPolarHBondContact OD1-CE 3.26Å; D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 3.39Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 2.9Å; M33-A36 PolarHBondContact O-N 3.48Å; M33-E37 PolarHBondContact O-N 3.12Å
34K87.7Confident78.6Confident101 Ų101112.2 Ų112.244%0.43960%0.595SS.*Hα-helixtrans-60.8-41.5173-71173.2-177.4152.80112.5D30 D31 E37 V38D30-K34 WeakPolarHBondContact O-CG 3.35Å; D30-K34 PolarHBondContact O-N 2.91Å; D30-K34 WeakPolarHBondContact OD2-CE 3.32Å; D30-K34 IonicContact OD2-NZ 2.86Å; D30-K34 PolarHBondContact OD2-NZ 3.42Å; D31-K34 PolarHBondContact O-N 3.27Å; K34-E37 PolarHBondContact O-N 3.13Å; K34-V38 VanDerWaalsContact O-CG2 3.28Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 2.99Å
35I89Confident80.6Confident92 Ų92113 Ų11347%0.47259%0.587SS.*Hα-helixtrans-61.3-47.7176.1-69.8162.9000110D31 M33 E37 V38 E39D31-I35 WeakPolarHBondContact O-CB 3.1Å; D31-I35 WeakPolarHBondContact O-CD1 3.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.43Å; D31-I35 PolarHBondContact O-N 2.88Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 2.9Å; I35-E37 VanDerWaalsContact C-N 3.33Å; I35-E37 PolarHBondContact O-N 3.48Å; I35-V38 PolarHBondContact O-N 3.41Å; I35-E39 HydrophobicContact CG2-CG 4.27Å; I35-E39 WeakPolarHBondContact CG2-OE1 3.47Å; I35-E39 WeakPolarHBondContact O-CB 3.42Å; I35-E39 WeakPolarHBondContact O-CG 3.41Å; I35-E39 PolarHBondContact O-N 3.12Å
36A89.3Confident82.5Confident53 Ų53112.2 Ų112.244%0.43858%0.576SS.*Hα-helixtrans-61.9-37.9178.500000113R32 M33 A40R32-A36 WeakPolarHBondContact O-CB 3.24Å; R32-A36 PolarHBondContact O-N 3.16Å; R32-A36 VanDerWaalsContact O-N 3.11Å; M33-A36 PolarHBondContact O-N 3.48Å; A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 2.96Å
37E91.1Very high84.1Confident130 Ų130109.6 Ų109.661%0.60756%0.56SS**Hα-helixtrans-64.9-44.6174.9-174.9178.5-176.100111.6M33 K34 I35 A40 C41M33-E37 PolarHBondContact O-N 3.12Å; K34-E37 PolarHBondContact O-N 3.13Å; I35-E37 VanDerWaalsContact C-N 3.33Å; I35-E37 PolarHBondContact O-N 3.48Å; E37-A40 PolarHBondContact O-N 2.97Å; E37-C41 PolarHBondContact O-N 3.34Å; E37-C41 PolarHBondContact O-SG 2.86Å; E37-C41 VanDerWaalsContact O-SG 3.39Å
38V93.6Very high85.6Confident101 Ų101106.2 Ų106.261%0.61254%0.544SS*.Hα-helixtrans-64.3-43.2177.6171.40000111.4K34 I35 C41 F42K34-V38 VanDerWaalsContact O-CG2 3.28Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 2.99Å; I35-V38 PolarHBondContact O-N 3.41Å; V38-C41 PolarHBondContact O-N 2.93Å; V38-F42 WeakPolarHBondContact O-CB 3.33Å; V38-F42 PolarHBondContact O-N 3.42Å
39E93.9Very high86.8Confident126 Ų126104.5 Ų104.559%0.58953%0.53SS*.Hα-helixtrans-60.7-44.8176.3-74.2174.717100111.3I35 C41 F42 E43I35-E39 HydrophobicContact CG2-CG 4.27Å; I35-E39 WeakPolarHBondContact CG2-OE1 3.47Å; I35-E39 WeakPolarHBondContact O-CB 3.42Å; I35-E39 WeakPolarHBondContact O-CG 3.41Å; I35-E39 PolarHBondContact O-N 3.12Å; E39-C41 PolarHBondContact O-N 3.39Å; E39-F42 PolarHBondContact O-N 3.41Å; E39-E43 PolarHBondContact O-N 3.07Å
40A92Very high87.7Confident56 Ų5699.8 Ų99.846%0.46351%0.51SS..Hα-helixtrans-63.4-41.5177.100000112.7A36 E37 F42 E43 E44A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 2.96Å; E37-A40 PolarHBondContact O-N 2.97Å; A40-F42 VanDerWaalsContact C-N 3.3Å; A40-F42 PolarHBondContact O-N 3.28Å; A40-E43 PolarHBondContact O-N 2.99Å; A40-E44 PolarHBondContact O-N 3.22Å; A40-E44 VanDerWaalsContact O-N 3.12Å
41C92.9Very high88.2Confident76 Ų76104.3 Ų104.351%0.51453%0.527SS..Hα-helixtrans-63.9-36.6174.9-730000112.4E37 V38 E39 F45E37-C41 PolarHBondContact O-N 3.34Å; E37-C41 PolarHBondContact O-SG 2.86Å; E37-C41 VanDerWaalsContact O-SG 3.39Å; V38-C41 PolarHBondContact O-N 2.93Å; E39-C41 PolarHBondContact O-N 3.39Å; C41-F45 PolarHBondContact O-N 2.98Å; C41-F45 VanDerWaalsContact O-N 3.12Å
42F93.4Very high87.4Confident115 Ų115106.3 Ų106.350%0.50453%0.531SS..Hα-helixtrans-69.5-42.7178.4-168.8-99.5000111.7V38 E39 A40 E44 F45 E46V38-F42 WeakPolarHBondContact O-CB 3.33Å; V38-F42 PolarHBondContact O-N 3.42Å; E39-F42 PolarHBondContact O-N 3.41Å; A40-F42 VanDerWaalsContact C-N 3.3Å; A40-F42 PolarHBondContact O-N 3.28Å; F42-E44 VanDerWaalsContact C-N 3.33Å; F42-E44 PolarHBondContact O-N 3.36Å; F42-F45 WeakPolarHBondContact O-CB 3.47Å; F42-F45 PolarHBondContact O-N 2.97Å; F42-F45 VanDerWaalsContact O-N 3.13Å; F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 VanDerWaalsContact CE1-CD 3.47Å; F42-E46 HydrophobicContact CE1-CG 3.84Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.19Å; F42-E46 HydrophobicContact CZ-CG 4.29Å; F42-E46 PolarHBondContact O-N 2.87Å
43E92.6Very high86.2Confident144 Ų14499 Ų9967%0.67351%0.514SS*.Hα-helixtrans-60.8-40.6175.3-171.4175.9-168.500111.9E39 A40 F45 E46 A47E39-E43 PolarHBondContact O-N 3.07Å; A40-E43 PolarHBondContact O-N 2.99Å; E43-F45 VanDerWaalsContact C-N 3.34Å; E43-F45 PolarHBondContact O-N 3.47Å; E43-E46 PolarHBondContact O-N 2.99Å; E43-A47 WeakPolarHBondContact O-CB 3.28Å; E43-A47 PolarHBondContact O-N 3.38Å
44E91Very high84.9Confident122 Ų122100.2 Ų100.257%0.5752%0.518SS*.Hα-helixtrans-63.2-41174.1-168.8-175.6168.200111.9A40 F42 A47 Q48A40-E44 PolarHBondContact O-N 3.22Å; A40-E44 VanDerWaalsContact O-N 3.12Å; F42-E44 VanDerWaalsContact C-N 3.33Å; F42-E44 PolarHBondContact O-N 3.36Å; E44-A47 PolarHBondContact O-N 3.38Å; E44-Q48 WeakPolarHBondContact O-CG 3.42Å; E44-Q48 PolarHBondContact O-N 2.98Å; E44-Q48 PolarHBondContact OE1-NE2 2.94Å
45F91.2Very high83.2Confident108 Ų108100.8 Ų100.847%0.47453%0.533SS..Hα-helixtrans-63.8-43.2177.1175.8-105.8000112.2C41 F42 E43 A47 Q48 L49C41-F45 PolarHBondContact O-N 2.98Å; C41-F45 VanDerWaalsContact O-N 3.12Å; F42-F45 WeakPolarHBondContact O-CB 3.47Å; F42-F45 PolarHBondContact O-N 2.97Å; F42-F45 VanDerWaalsContact O-N 3.13Å; E43-F45 VanDerWaalsContact C-N 3.34Å; E43-F45 PolarHBondContact O-N 3.47Å; F45-A47 VanDerWaalsContact C-N 3.34Å; F45-A47 PolarHBondContact O-N 3.22Å; F45-Q48 WeakPolarHBondContact O-CB 3.39Å; F45-Q48 PolarHBondContact O-N 3.47Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; F45-L49 HydrophobicContact CD1-CD1 4.01Å; F45-L49 HydrophobicContact CD1-CG 4.45Å; F45-L49 HydrophobicContact CE1-CD1 3.39Å; F45-L49 HydrophobicContact CE1-CG 4.02Å; F45-L49 HydrophobicContact CE2-CD2 4.46Å; F45-L49 HydrophobicContact CE2-CG 4.31Å; F45-L49 HydrophobicContact CZ-CD1 3.69Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 HydrophobicContact CZ-CG 3.94Å; F45-L49 PolarHBondContact O-N 3.32Å
46E90.6Very high81.5Confident99 Ų99100.7 Ų100.746%0.46354%0.54SS..Hα-helixtrans-63.4-39.4174.8-70.9-166.1145.500112.2F42 E43 Q48 L49 S50F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 VanDerWaalsContact CE1-CD 3.47Å; F42-E46 HydrophobicContact CE1-CG 3.84Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.19Å; F42-E46 HydrophobicContact CZ-CG 4.29Å; F42-E46 PolarHBondContact O-N 2.87Å; E43-E46 PolarHBondContact O-N 2.99Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.21Å; E46-L49 PolarHBondContact O-N 3.42Å; E46-S50 WeakPolarHBondContact O-CB 3.48Å; E46-S50 PolarHBondContact O-N 3Å; E46-S50 PolarHBondContact O-OG 3.38Å
47A86.8Confident79.8Confident45 Ų45106.3 Ų106.337%0.37256%0.558SS.*Hα-helixtrans-63.5-35.217400000112E43 E44 F45 K51E43-A47 WeakPolarHBondContact O-CB 3.28Å; E43-A47 PolarHBondContact O-N 3.38Å; E44-A47 PolarHBondContact O-N 3.38Å; F45-A47 VanDerWaalsContact C-N 3.34Å; F45-A47 PolarHBondContact O-N 3.22Å; A47-K51 VanDerWaalsContact O-CG 3.32Å; A47-K51 WeakPolarHBondContact O-CG 3.46Å; A47-K51 PolarHBondContact O-N 3.48Å
48Q86.7Confident77.7Confident83 Ų83104.2 Ų104.239%0.38856%0.558SS.*Hα-helixtrans-68.1-47.9173.1-70.5177.924.600111.5E44 F45 E46 S50 K51 F52E44-Q48 WeakPolarHBondContact O-CG 3.42Å; E44-Q48 PolarHBondContact O-N 2.98Å; E44-Q48 PolarHBondContact OE1-NE2 2.94Å; F45-Q48 WeakPolarHBondContact O-CB 3.39Å; F45-Q48 PolarHBondContact O-N 3.47Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.21Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.03Å; Q48-K51 WeakPolarHBondContact O-CB 3.04Å; Q48-K51 PolarHBondContact O-N 3.49Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; Q48-F52 WeakPolarHBondContact O-CD2 3.45Å; Q48-F52 PolarHBondContact O-N 3.39Å; Q48-F52 VanDerWaalsContact O-N 3.15Å
49L82.5Confident75.4Confident81 Ų81106.2 Ų106.242%0.42457%0.565SS.*Hα-helixtrans-57.5-42.2176.5-74.1-179.7000112F45 E46 K51 F52 C53F45-L49 HydrophobicContact CD1-CD1 4.01Å; F45-L49 HydrophobicContact CD1-CG 4.45Å; F45-L49 HydrophobicContact CE1-CD1 3.39Å; F45-L49 HydrophobicContact CE1-CG 4.02Å; F45-L49 HydrophobicContact CE2-CD2 4.46Å; F45-L49 HydrophobicContact CE2-CG 4.31Å; F45-L49 HydrophobicContact CZ-CD1 3.69Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 HydrophobicContact CZ-CG 3.94Å; F45-L49 PolarHBondContact O-N 3.32Å; E46-L49 PolarHBondContact O-N 3.42Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.44Å; L49-F52 PolarHBondContact O-N 3.4Å; L49-F52 VanDerWaalsContact O-N 3.11Å; L49-C53 PolarHBondContact O-N 3.07Å
50S79.4Confident73.2Confident61 Ų61108.2 Ų108.243%0.42758%0.58SS.*Hα-helixtrans-59.8-42.2177.6-61.90000111.7E46 Q48 F52 C53 H54E46-S50 WeakPolarHBondContact O-CB 3.48Å; E46-S50 PolarHBondContact O-N 3Å; E46-S50 PolarHBondContact O-OG 3.38Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.03Å; S50-F52 VanDerWaalsContact C-N 3.34Å; S50-F52 PolarHBondContact O-N 3Å; S50-C53 PolarHBondContact O-N 2.86Å; S50-H54 PolarHBondContact O-N 3.22Å; S50-H54 PolarHBondContact O-ND1 2.99Å
51K77.3Confident71.2Confident147 Ų147110.8 Ų110.864%0.63959%0.589SS**Hα-helixtrans-61-39.9174.4-69.2166.6-173.6172.40112.3A47 Q48 L49A47-K51 VanDerWaalsContact O-CG 3.32Å; A47-K51 WeakPolarHBondContact O-CG 3.46Å; A47-K51 PolarHBondContact O-N 3.48Å; Q48-K51 WeakPolarHBondContact O-CB 3.04Å; Q48-K51 PolarHBondContact O-N 3.49Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.44Å
52F66.2Low68.7Low142 Ų142115.4 Ų115.462%0.62360%0.603SS**Hα-helixtrans-70.9-38.3178-74.3-71.4000113Q48 L49 S50 S56Q48-F52 WeakPolarHBondContact O-CD2 3.45Å; Q48-F52 PolarHBondContact O-N 3.39Å; Q48-F52 VanDerWaalsContact O-N 3.15Å; L49-F52 PolarHBondContact O-N 3.4Å; L49-F52 VanDerWaalsContact O-N 3.11Å; S50-F52 VanDerWaalsContact C-N 3.34Å; S50-F52 PolarHBondContact O-N 3Å; F52-S56 PolarHBondContact O-N 3.31Å; F52-S56 PolarHBondContact O-OG 3.47Å
53C59Low66.5Low71 Ų71113.7 Ų113.748%0.4861%0.605SS.*Hα-helixtrans-69.6-35.8179.1-75.20000112.4L49 S50 C55 S56L49-C53 PolarHBondContact O-N 3.07Å; S50-C53 PolarHBondContact O-N 2.86Å; C53-C55 VanDerWaalsContact C-N 3.28Å; C53-C55 PolarHBondContact O-N 3.42Å; C53-S56 PolarHBondContact O-N 2.88Å
54H56.6Low64.1Low151 Ų151115.5 Ų115.570%0.69961%0.614SS**Hα-helixtrans-72.8-20.1-179.5-70.835.4000113.2S50S50-H54 PolarHBondContact O-N 3.22Å; S50-H54 PolarHBondContact O-ND1 2.99Å
55C52.5Low61.8Low113 Ų113114.7 Ų114.776%0.76462%0.621SS**Hα-helixtrans-90.1-10.4174.3-66.20000114C53C53-C55 VanDerWaalsContact C-N 3.28Å; C53-C55 PolarHBondContact O-N 3.42Å
56S53.9Low59.4Low90 Ų90115.5 Ų115.563%0.62964%0.638SS**Hα-helixtrans-110.40.5-172.1-520000114.2F52 C53 S58F52-S56 PolarHBondContact O-N 3.31Å; F52-S56 PolarHBondContact O-OG 3.47Å; C53-S56 PolarHBondContact O-N 2.88Å; S56-S58 PolarHBondContact O-N 3.35Å
57Q52.6Low57.2Low172 Ų172117 Ų11780%0.80465%0.654SS**  trans-81.548.8177.7-77.7-176.1000113.6
58S46.4Very low55.2Low86 Ų86120.9 Ų120.960%0.60168%0.675SS**  trans-130.1129.6160.265.10000109.2S56S56-S58 PolarHBondContact O-N 3.35Å
59N45.6Very low52.7Low143 Ų143119.8 Ų119.877%0.76569%0.686SS**  trans93.956.3178.5-45-57.6000116.4V61N59-V61 PolarHBondContact O-N 3.37Å
60D48.1Very low50.9Low168 Ų168123.4 Ų123.490%0.89871%0.711SS**  trans-81.575.1140.2-160.25.8000108.2
61V49.3Very low49Very low110 Ų110123.8 Ų123.867%0.66773%0.725SS**  trans-128.998.1162.4-170.60000106.4N59 S63N59-V61 PolarHBondContact O-N 3.37Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.11Å
62H40.5Very low47.6Very low173 Ų173123.9 Ų123.980%0.80173%0.732SS**  trans-42.894158.9-17281.7000110.4
63S47.3Very low46.9Very low79 Ų79126.4 Ų126.455%0.55274%0.743SS**  trans-125.3107.7166.2103.70000108.3V61 C65V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.11Å; S63-C65 VanDerWaalsContact C-N 3.32Å; S63-C65 PolarHBondContact O-N 3.27Å; S63-C65 PolarHBondContact OG-SG 2.76Å; S63-C65 VanDerWaalsContact OG-SG 3.37Å
64Q43.2Very low46.5Very low181 Ų181129.1 Ų129.185%0.84676%0.758SS**  trans-53.9100.2153.7-81.9175.6-18.300107.8
65C41.4Very low46Very low106 Ų106129.6 Ų129.672%0.71676%0.76SS**  trans-114.9106.5165.7-84.60000108.6S63S63-C65 VanDerWaalsContact C-N 3.32Å; S63-C65 PolarHBondContact O-N 3.27Å; S63-C65 PolarHBondContact OG-SG 2.76Å; S63-C65 VanDerWaalsContact OG-SG 3.37Å
66C42.2Very low45.9Very low124 Ų124129.9 Ų129.984%0.83876%0.761SS**  trans-52135.8172.4-580000111.7
67V44.1Very low45.8Very low132 Ų132129.7 Ų129.780%0.876%0.755SS**  trans-73.3140.4169.5179.90000109.8
68P44.8Very low45.6Very low125 Ų125127.8 Ų127.881%0.81275%0.751SS**  trans-124.3118.1138.923.5-6.6000109.4
69G34.3Very low45.7Very low60 Ų60131.7 Ų131.762%0.61976%0.759SS**  trans-74.7157.1-172.800000113.9
70V43.9Very low45.9Very low158 Ų158136.2 Ų136.296%0.95877%0.766SS**  trans-159.5125.3143.8179.20000105.4
71G40.8Very low46.2Very low69 Ų69137.4 Ų137.471%0.71176%0.759SS**  trans13791.3164.800000114.3
72N48Very low46.6Very low148 Ų148139.1 Ų139.179%0.79176%0.764SS**  trans-42.7135.4166.8-57-43.4000111.9
73F51.2Low47.4Very low196 Ų196142.2 Ų142.286%0.8677%0.768SS**  -174.4117.5124.3-86.5-65.6000109.2
74T51Low48.4Very low128 Ų128146 Ų14679%0.78577%0.77SS**SBendtrans62.295.2149.941.60000120.2
75H45.8Very low49.7Very low161 Ų161140.8 Ų140.875%0.74575%0.751SS**  trans50.7101146.1-94.9-68.3000120.1V77H75-V77 VanDerWaalsContact C-N 3.29Å; H75-V77 HydrophobicContact CB-CG2 4.42Å; H75-V77 VanDerWaalsContact ND1-CG2 3.26Å; H75-V77 WeakPolarHBondContact ND1-CG2 3.34Å; H75-V77 PolarHBondContact O-N 3.06Å
76P49.1Very low51.2Low119 Ų119140.4 Ų140.477%0.77375%0.745SS**THydrogen-bonded Turntrans-83.572.7162.735.5-30.8000109.4
77V51.9Low52.6Low85 Ų85139.6 Ų139.652%0.51573%0.733SS.*THydrogen-bonded Turntrans-117.3-15.5173.3-171.30000112.3H75H75-V77 VanDerWaalsContact C-N 3.29Å; H75-V77 HydrophobicContact CB-CG2 4.42Å; H75-V77 VanDerWaalsContact ND1-CG2 3.26Å; H75-V77 WeakPolarHBondContact ND1-CG2 3.34Å; H75-V77 PolarHBondContact O-N 3.06Å
78N49.8Very low54.1Low133 Ų133137 Ų13771%0.71171%0.712SS**SBendtrans-101.7-9-175.9-80.4-18.6000116.2
79E47.6Very low55.4Low167 Ų167136.8 Ų136.878%0.7870%0.7SS**G310 helixtrans-92.4-14.4-176.2-69.4-174.7169.600114.6Y81E79-Y81 PolarHBondContact O-N 3.23Å
80R50.1Low57.3Low238 Ų238138.4 Ų138.490%0.89869%0.694SS**G310 helixtrans-77.8-7.3175.5-68.3-169.7-171.6174.73.4113.8
81Y53.8Low58.7Low193 Ų193138.3 Ų138.376%0.75768%0.676SS**G310 helixtrans-104.7-3.5-172.9-80.1-79.3000115.1E79E79-Y81 PolarHBondContact O-N 3.23Å
82L57.8Low60.2Low147 Ų147138.3 Ų138.377%0.7766%0.66SS**SBendtrans-118.725.2-170.6-88.8101.1000115.4
83R58.6Low61.2Low237 Ų237137 Ų13789%0.89465%0.652SS**  trans-123.874170-68.6-172.7176.5-1370110
84R67.4Low61.8Low158 Ų158132 Ų13260%0.59664%0.638SS**  trans-94.4132.7156.8-66.9-167.5-156.7176.68.8108E88 Q89 D92R84-E88 VanDerWaalsContact CA-OE2 3.24Å; R84-E88 WeakPolarHBondContact CA-OE2 3.47Å; R84-E88 HydrophobicContact CB-CB 4.23Å; R84-E88 WeakPolarHBondContact CB-OE2 3.35Å; R84-Q89 HydrophobicContact CB-CG 4.22Å; R84-D92 IonicContact NH1-OD2 2.76Å; R84-D92 PolarHBondContact NH1-OD2 3.11Å
85T70.5Confident62.3Low72 Ų72130.4 Ų130.444%0.44262%0.624SS.*  trans-68.2155.9173.353.40000109.7D87 E88 Q89T85-D87 PolarHBondContact O-N 3.41Å; T85-E88 PolarHBondContact N-OE2 3.38Å; T85-E88 WeakPolarHBondContact O-CB 3.16Å; T85-E88 PolarHBondContact O-N 3.13Å; T85-E88 WeakPolarHBondContact OG1-CG 3.44Å; T85-E88 PolarHBondContact OG1-N 3.14Å; T85-Q89 PolarHBondContact O-N 3.44Å
86V72Confident63Low99 Ų99128.5 Ų128.560%0.662%0.616SS**Hα-helixtrans-54.2-37172.5174.80000110.2E88 Q89 L90V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 3.34Å; V86-Q89 PolarHBondContact O-N 3.21Å; V86-L90 HydrophobicContact CG1-CD1 3.88Å; V86-L90 HydrophobicContact CG1-CG 4.29Å; V86-L90 WeakPolarHBondContact O-CB 3.37Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.4Å
87D71.9Confident63.5Low106 Ų106124.4 Ų124.457%0.56760%0.595SS**Hα-helixtrans-64-34.1175.6-60.5-19.8000113.9T85 R91T85-D87 PolarHBondContact O-N 3.41Å; D87-R91 WeakPolarHBondContact O-CB 3.49Å; D87-R91 WeakPolarHBondContact O-CG 3.44Å; D87-R91 PolarHBondContact O-N 3.33Å; D87-R91 VanDerWaalsContact O-N 3.07Å; D87-R91 PolarHBondContact O-NE 3.08Å
88E75.2Confident63.9Low79 Ų79125.9 Ų125.937%0.36960%0.597SS.*Hα-helixtrans-71-41.7173.2-79171.3-175.200111.2R84 T85 V86 R91 D92R84-E88 VanDerWaalsContact CA-OE2 3.24Å; R84-E88 WeakPolarHBondContact CA-OE2 3.47Å; R84-E88 HydrophobicContact CB-CB 4.23Å; R84-E88 WeakPolarHBondContact CB-OE2 3.35Å; T85-E88 PolarHBondContact N-OE2 3.38Å; T85-E88 WeakPolarHBondContact O-CB 3.16Å; T85-E88 PolarHBondContact O-N 3.13Å; T85-E88 WeakPolarHBondContact OG1-CG 3.44Å; T85-E88 PolarHBondContact OG1-N 3.14Å; V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 3.34Å; E88-R91 PolarHBondContact O-N 2.97Å; E88-D92 PolarHBondContact O-N 3.28Å
89Q73.5Confident64.3Low119 Ų119127.9 Ų127.956%0.55659%0.594SS**Hα-helixtrans-64.7-39.8176.2-67.1-174.6-25.900112.1R84 T85 V86 D92 L93R84-Q89 HydrophobicContact CB-CG 4.22Å; T85-Q89 PolarHBondContact O-N 3.44Å; V86-Q89 PolarHBondContact O-N 3.21Å; Q89-D92 PolarHBondContact O-N 2.78Å; Q89-L93 WeakPolarHBondContact O-CB 3.48Å; Q89-L93 PolarHBondContact O-N 3.2Å
90L73.3Confident64.8Low94 Ų94124.5 Ų124.549%0.49258%0.581SS.*Hα-helixtrans-66.7-37.2175.3-74170.2000112.2V86 L93 T94V86-L90 HydrophobicContact CG1-CD1 3.88Å; V86-L90 HydrophobicContact CG1-CG 4.29Å; V86-L90 WeakPolarHBondContact O-CB 3.37Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.4Å; L90-L93 PolarHBondContact O-N 3.32Å; L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.39Å; L90-T94 PolarHBondContact O-OG1 3.41Å
91R74.2Confident65Low157 Ų157122.6 Ų122.659%0.59257%0.574SS**Hα-helixtrans-62.4-46.3172.7-87.4-174.4-85.3-165.1-4.9112D87 E88 L93 T94 L95D87-R91 WeakPolarHBondContact O-CB 3.49Å; D87-R91 WeakPolarHBondContact O-CG 3.44Å; D87-R91 PolarHBondContact O-N 3.33Å; D87-R91 VanDerWaalsContact O-N 3.07Å; D87-R91 PolarHBondContact O-NE 3.08Å; E88-R91 PolarHBondContact O-N 2.97Å; R91-L93 VanDerWaalsContact C-N 3.35Å; R91-L93 PolarHBondContact O-N 3.41Å; R91-T94 PolarHBondContact O-N 3.44Å; R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 3.15Å; R91-L95 VanDerWaalsContact O-N 3.08Å
92D72.6Confident65Low69 Ų69118.1 Ų118.137%0.36957%0.567SS.*Hα-helixtrans-61.3-43.3177-74.1-16.2000111.2R84 E88 Q89 T94 L95 E96R84-D92 IonicContact NH1-OD2 2.76Å; R84-D92 PolarHBondContact NH1-OD2 3.11Å; E88-D92 PolarHBondContact O-N 3.28Å; Q89-D92 PolarHBondContact O-N 2.78Å; D92-T94 VanDerWaalsContact C-N 3.34Å; D92-T94 PolarHBondContact O-N 3.33Å; D92-L95 PolarHBondContact O-N 3.01Å; D92-E96 PolarHBondContact O-N 2.78Å
93L68.9Low64.8Low120 Ų120120.9 Ų120.963%0.62857%0.567SS**Hα-helixtrans-64.6-37.1179.3-158.276.5000112.4Q89 L90 R91 G97Q89-L93 WeakPolarHBondContact O-CB 3.48Å; Q89-L93 PolarHBondContact O-N 3.2Å; L90-L93 PolarHBondContact O-N 3.32Å; R91-L93 VanDerWaalsContact C-N 3.35Å; R91-L93 PolarHBondContact O-N 3.41Å; L93-G97 PolarHBondContact O-N 2.95Å
94T63.9Low64.6Low92 Ų92115.6 Ų115.656%0.56456%0.561SS**Hα-helixtrans-68.5-41.8177.4-53.30000111.1L90 R91 D92 G97 E98L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.39Å; L90-T94 PolarHBondContact O-OG1 3.41Å; R91-T94 PolarHBondContact O-N 3.44Å; D92-T94 VanDerWaalsContact C-N 3.34Å; D92-T94 PolarHBondContact O-N 3.33Å; T94-G97 PolarHBondContact O-N 2.88Å; T94-E98 PolarHBondContact O-N 3.36Å
95L61.5Low63.9Low94 Ų94115.1 Ų115.149%0.49257%0.57SS.*Hα-helixtrans-69.4-33.6176.9-71.6169.5000113.1R91 D92 R99R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 3.15Å; R91-L95 VanDerWaalsContact O-N 3.08Å; D92-L95 PolarHBondContact O-N 3.01Å; L95-R99 PolarHBondContact O-N 2.92Å
96E60.1Low63Low121 Ų121122 Ų12257%0.56559%0.588SS**Hα-helixtrans-73-33.6172.8-73.1-164.6164.100112.4D92 E98 R99 N100D92-E96 PolarHBondContact O-N 2.78Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.49Å; E96-R99 PolarHBondContact O-N 2.93Å; E96-N100 PolarHBondContact O-N 3.38Å; E96-N100 VanDerWaalsContact O-N 3.13Å; E96-N100 PolarHBondContact O-ND2 3.4Å
97G59.9Low62Low33 Ų33121.2 Ų121.234%0.3458%0.58SS.*Hα-helixtrans-59.1-38.8173.400000113.4L93 T94 R101L93-G97 PolarHBondContact O-N 2.95Å; T94-G97 PolarHBondContact O-N 2.88Å; G97-R101 WeakPolarHBondContact O-CG 3.29Å; G97-R101 PolarHBondContact O-N 2.74Å
98E58.7Low61.3Low116 Ų116121.4 Ų121.454%0.54259%0.588SS.*Hα-helixtrans-75.5-34.3177.9-70.7-174.7153.600113.4T94 E96 N100 R101 T102T94-E98 PolarHBondContact O-N 3.36Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.49Å; E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.89Å; E98-R101 PolarHBondContact O-N 2.8Å; E98-T102 PolarHBondContact O-OG1 3.3Å
99R59.4Low60.5Low174 Ų174126 Ų12666%0.65761%0.609SS**Hα-helixtrans-67.1-30.6174.3-77.5-173.3170.5117.30.1112.9L95 E96 T102L95-R99 PolarHBondContact O-N 2.92Å; E96-R99 PolarHBondContact O-N 2.93Å; R99-T102 PolarHBondContact O-OG1 2.8Å; R99-T102 VanDerWaalsContact O-OG1 3.14Å
100N57.3Low59.5Low96 Ų96125.8 Ų125.851%0.51361%0.612SS.*Hα-helixtrans-79.1-30179-69-28.4000112.6E96 E98 T102 R103 V104E96-N100 PolarHBondContact O-N 3.38Å; E96-N100 VanDerWaalsContact O-N 3.13Å; E96-N100 PolarHBondContact O-ND2 3.4Å; E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.89Å; N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 2.91Å; N100-R103 PolarHBondContact O-N 3Å; N100-V104 PolarHBondContact O-N 3.23Å
101R55.8Low58.6Low198 Ų198125.2 Ų125.275%0.74762%0.616SS**Hα-helixtrans-64.5-32174-73.3175.2179.2173.70.9113G97 E98G97-R101 WeakPolarHBondContact O-CG 3.29Å; G97-R101 PolarHBondContact O-N 2.74Å; E98-R101 PolarHBondContact O-N 2.8Å
102T53.4Low57.5Low99 Ų99125.6 Ų125.661%0.60763%0.63SS**THydrogen-bonded Turntrans-87.6-10.4179.651.70000114.1E98 R99 N100E98-T102 PolarHBondContact O-OG1 3.3Å; R99-T102 PolarHBondContact O-OG1 2.8Å; R99-T102 VanDerWaalsContact O-OG1 3.14Å; N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 2.91Å
103R53.6Low56.6Low205 Ų205130.1 Ų130.177%0.77465%0.646SS**THydrogen-bonded Turntrans-97-25.1-178.2-148.8173.3-174.5162.20.8113.6N100 D105N100-R103 PolarHBondContact O-N 3Å; R103-D105 PolarHBondContact O-N 2.86Å
104V54.4Low55.8Low126 Ų126129.8 Ų129.876%0.76465%0.645SS**G310 helixtrans-70.7-24.6172.6178.30000111.5N100N100-V104 PolarHBondContact O-N 3.23Å
105D51.4Low55.5Low148 Ų148136.5 Ų136.579%0.79166%0.66SS**G310 helixtrans-92.15-176.4-1310.1000114.2R103R103-D105 PolarHBondContact O-N 2.86Å
106R52.5Low55.2Low217 Ų217139.4 Ų139.482%0.81968%0.676SS**G310 helixtrans-121.724.7-174.1-87-148.1177.4-178.52.6114.9P108R106-P108 VanDerWaalsContact O-CD 3.29Å; R106-P108 WeakPolarHBondContact O-CD 3.42Å
107D50.2Low55Low82 Ų82136.8 Ų136.844%0.43967%0.671SS.*  trans-102.394.8167-151.1-19.7000110.5Q109 N110D107-Q109 PolarHBondContact O-N 2.95Å; D107-Q109 VanDerWaalsContact O-N 3.15Å; D107-Q109 PolarHBondContact OD1-N 2.65Å; D107-N110 PolarHBondContact OD2-ND2 2.84Å
108P57.1Low54.5Low111 Ų111142.8 Ų142.872%0.72169%0.694SS**THydrogen-bonded Turntrans-71.6-5.7-179.3-6.725.1000112R106R106-P108 VanDerWaalsContact O-CD 3.29Å; R106-P108 WeakPolarHBondContact O-CD 3.42Å
109Q58.4Low54.3Low174 Ų174141.6 Ų141.681%0.81370%0.698SS**THydrogen-bonded Turntrans-103.8-6.6-170.9-65.3-168.5-32.900113.8D107D107-Q109 PolarHBondContact O-N 2.95Å; D107-Q109 VanDerWaalsContact O-N 3.15Å; D107-Q109 PolarHBondContact OD1-N 2.65Å
110N53.5Low53.9Low116 Ų116140.5 Ų140.562%0.6270%0.704SS**  trans-108.97-179.6-57.7-9.6000113.1D107 N112D107-N110 PolarHBondContact OD2-ND2 2.84Å; N110-N112 VanDerWaalsContact C-N 3.33Å; N110-N112 PolarHBondContact O-N 2.86Å
111S53.2Low53.7Low82 Ų82143.7 Ų143.757%0.57372%0.72SS**  trans-72.292.3167.273.60000108.8F113S111-F113 PolarHBondContact O-N 3.29Å
112N51.8Low53.5Low165 Ų165143.1 Ų143.188%0.88273%0.726SS**  trans-6753.7152.7-76.9-31.8000109.2N110 D114N110-N112 VanDerWaalsContact C-N 3.33Å; N110-N112 PolarHBondContact O-N 2.86Å; N112-D114 PolarHBondContact O-N 3.01Å
113F53.3Low53.5Low164 Ų164150 Ų15072%0.71974%0.74SS**  trans-71.493.5164.5-139-82.9000104.8S111 R115S111-F113 PolarHBondContact O-N 3.29Å; F113-R115 PolarHBondContact O-N 3.21Å
114D52.5Low53.3Low113 Ų113151.6 Ų151.660%0.60475%0.746SS**  trans-41.5108.5169.1-112.7-34.5000107.8N112 N116 S117N112-D114 PolarHBondContact O-N 3.01Å; D114-N116 PolarHBondContact O-N 3.12Å; D114-S117 WeakPolarHBondContact CB-OG 3.44Å; D114-S117 PolarHBondContact O-N 2.86Å; D114-S117 PolarHBondContact O-OG 3.22Å
115R57.8Low52.7Low233 Ų233149.3 Ų149.388%0.87975%0.748SS**THydrogen-bonded Turntrans-640.9175.8-77.3-174.8173.5179.3-0.7112.3F113F113-R115 PolarHBondContact O-N 3.21Å
116N55.7Low52.8Low155 Ų155152.6 Ų152.683%0.82975%0.749SS**THydrogen-bonded Turntrans-91.2-2.9172-86.64.6000114.5D114D114-N116 PolarHBondContact O-N 3.12Å
117S55.5Low52.6Low66 Ų66151.6 Ų151.646%0.46275%0.751SS.*  trans-96.822.5-175.4-47.70000114.8D114 S119D114-S117 WeakPolarHBondContact CB-OG 3.44Å; D114-S117 PolarHBondContact O-N 2.86Å; D114-S117 PolarHBondContact O-OG 3.22Å; S117-S119 PolarHBondContact O-N 2.99Å
118I49.7Very low52.7Low158 Ų158154 Ų15481%0.8177%0.765SS**  trans-77.877.3174.5-53.6177.3000108.9
119S53Low52.3Low91 Ų91152.5 Ų152.564%0.63676%0.756SS**  trans-99.1123.8170.263.90000110.4S117S117-S119 PolarHBondContact O-N 2.99Å
120I50.9Low51.8Low151 Ų151152.7 Ų152.777%0.77476%0.757SS**SBendtrans73.278.6150.2-45.5152.7000115.6
121L54.2Low51.5Low163 Ų163158.4 Ų158.485%0.85377%0.77SS**SBendtrans-174.80.9144.2-103.7146.2000117.6
122H51.5Low51.1Low187 Ų187158.4 Ų158.487%0.86677%0.774SS**SBendtrans-109.931.5-173.4-73.6-103.9000116.2
123R53.2Low51.1Low244 Ų244158.3 Ų158.392%0.92177%0.769SS**SBendtrans-124.39.5-177.3-98.3-165.3-92.1-143.2-1.1118.4
124R48.6Very low50.7Low238 Ų238156.8 Ų156.890%0.89877%0.768SS**  trans-157.356.6177.2-135.4151.2176.8150-5.4115.9
125G42.1Very low50.6Low78 Ų78156.5 Ų156.580%0.80478%0.775SS**  trans-101.783.3154.300000108.6F127G125-F127 PolarHBondContact O-N 3.05Å
126R53.2Low50Low216 Ų216151.8 Ų151.882%0.81577%0.772SS**  trans-7093.1159-74.1-154.9178.8-128.41.6105.7D128R126-D128 PolarHBondContact O-N 3.3Å
127F49.3Very low49.6Very low196 Ų196149.3 Ų149.386%0.8676%0.762SS**  trans-73.7103.2158.3-158.2-95.5000105.1G125 S129G125-F127 PolarHBondContact O-N 3.05Å; F127-S129 VanDerWaalsContact C-N 3.29Å; F127-S129 PolarHBondContact O-N 3.33Å
128D51.3Low49.1Very low134 Ų134154.3 Ų154.372%0.71778%0.779SS**  trans-61.795.1173.6-80.1-36.5000108.4R126R126-D128 PolarHBondContact O-N 3.3Å
129S49.4Very low48.6Very low78 Ų78151.4 Ų151.455%0.54577%0.772SS.*  trans-60.1139.4154.3173.60000107.6F127F127-S129 VanDerWaalsContact C-N 3.29Å; F127-S129 PolarHBondContact O-N 3.33Å
130H47.7Very low48.2Very low178 Ų178152.1 Ų152.182%0.82478%0.777SS**  trans9267.4177.1-41.6-61.8000116.6
131R46.6Very low48Very low237 Ų237150.8 Ų150.889%0.89478%0.781SS**  trans-125.798.5138.6-162.1170.2-171.6-166.30.8110.1
132A45.9Very low47.4Very low81 Ų81145.9 Ų145.967%0.66977%0.77SS**  trans-53.4135.116000000109.6
133Q51.1Low47.2Very low163 Ų163145.3 Ų145.376%0.76277%0.772SS**  176.3128118-95.3176.8-13.800110.9
134D45.9Very low47.1Very low133 Ų133138 Ų13871%0.71176%0.764SS**  trans83.1109.7144.5-51.2-19.7000119.3
135S49.6Very low47Very low106 Ų106135.5 Ų135.574%0.74176%0.762SS**  trans26.5125.3138.460.50000116.8
136V46.5Very low47.5Very low134 Ų134136.5 Ų136.581%0.81276%0.762SS**  -162.9140.974.2160.80000109.5
137T46.5Very low47.3Very low103 Ų103134.8 Ų134.863%0.63276%0.763SS**  trans-46.3149.8176.533.60000119.4
138Q45.3Very low47.3Very low172 Ų172130.9 Ų130.980%0.80476%0.761SS**  trans69.2148135.5-69.7170.7-34.200117.3
139S39.8Very low47.5Very low96 Ų96129.6 Ų129.667%0.67176%0.762SS**  cis-173.5146.6-4.9-101.10000106.6
140S44.1Very low48.1Very low106 Ų106133.6 Ų133.674%0.74178%0.778SS**  trans27.9137.2146.264.20000122.7
141S47.3Very low48.7Very low123 Ų123131.4 Ų131.486%0.8677%0.772SS**  trans107.8127.5135.377.70000118.4
142G40.6Very low49.6Very low60 Ų60129.3 Ų129.362%0.61977%0.769SS**  trans118.9123.6135.700000117.3
143I47.8Very low50.3Low176 Ų176132.5 Ų132.590%0.90378%0.775SS**  trans68.2148.8138.572.5158.2000118
144A50.3Low51.1Low91 Ų91129.3 Ų129.375%0.75277%0.766SS**  cis-169.7167.1-16.200000105.7
145E46Very low51.8Low185 Ų185129.8 Ų129.886%0.86477%0.769SS**  trans-53.3142179.3-59.8172.4135.900113.7
146A54.1Low52.7Low98 Ų98133.2 Ų133.281%0.8177%0.773SS**  trans-151.387.8164.500000109.7
147E48.8Very low53.9Low180 Ų180135.3 Ų135.384%0.84177%0.774SS**  trans-44.6132.1144.853.2-161.385.500111.9
148S48.7Very low54.4Low115 Ų115137.9 Ų137.980%0.80478%0.779SS**  trans-174.1122.1147.7-172.10000111.5
149S55.2Low55.2Low107 Ų107134.6 Ų134.675%0.74878%0.781SS**  trans-48.8146.8164.648.30000114.6
150D62.7Low55.9Low162 Ų162138.1 Ų138.187%0.86679%0.787SS**  trans-148.2133.6148.8-154.93000112.2
151N59.5Low56.7Low131 Ų131137.3 Ų137.370%0.70179%0.786SS**  trans-78.7140.6-173.4-82.5-23.4000111.2
152F65.8Low57.2Low193 Ų193137.8 Ų137.885%0.84678%0.784SS**  trans-145.676.3145.7-134.7-100.2000109.5V154F152-V154 HydrophobicContact CD1-CG2 3.37Å; F152-V154 HydrophobicContact CE1-CG2 3.68Å; F152-V154 PolarHBondContact O-N 3.12Å
153L60.1Low57.6Low149 Ų149141.3 Ų141.378%0.7879%0.794SS**  trans-67.5111.9156.5-88.7163.2000106.5
154V68.3Low58.2Low95 Ų95137.3 Ų137.358%0.57679%0.786SS**  trans-95.299.5167.5-177.70000106.5F152 E156F152-V154 HydrophobicContact CD1-CG2 3.37Å; F152-V154 HydrophobicContact CE1-CG2 3.68Å; F152-V154 PolarHBondContact O-N 3.12Å; V154-E156 HydrophobicContact CG1-CG 4.43Å
155D61.3Low58.2Low144 Ų144138.8 Ų138.877%0.7779%0.786SS**  trans-75.3116.6160.3-69-39.2000107.5
156E67.4Low59.1Low177 Ų177138.4 Ų138.483%0.82779%0.785SS**  trans-133.882.9163-96.5-171.5162.500109.1V154V154-E156 HydrophobicContact CG1-CG 4.43Å
157E71.8Confident59.5Low179 Ų179142.1 Ų142.184%0.83679%0.785SS**  29.9102.8121.2-159.2170.9-178.500118.4
158E58.3Low59.8Low156 Ų156140.8 Ų140.873%0.72978%0.779SS**  35.8116.1122.4-155.4173.7175.700119.9
159A61.6Low60.4Low103 Ų103142.9 Ų142.985%0.85178%0.78SS**  trans-142.698.6151.100000110.2
160E54.4Low60.4Low171 Ų171144.1 Ų144.180%0.79978%0.779SS**  trans-71.9134.1160.6-62.7-172.6154.300109.7
161A60.1Low60.3Low88 Ų88140.9 Ų140.973%0.72777%0.774SS**  trans-155.398.8160.500000112.8
162T57.5Low60.4Low134 Ų134140.3 Ų140.382%0.82278%0.776SS**  trans63.1103.7132.7580000119.9
163V49.6Very low59.8Low134 Ų134143.7 Ų143.781%0.81279%0.794SS**  trans-59124.5148.2166.30000109.5T165V163-T165 HydrophobicContact CG1-CG2 3.9Å
164A60.3Low59.8Low91 Ų91143.4 Ų143.475%0.75280%0.795SS**  trans-114.3102.3163.300000108.1
165T51Low59.3Low122 Ų122145.9 Ų145.975%0.74881%0.806SS**  trans-85.2119.1163.946.30000108.2V163V163-T165 HydrophobicContact CG1-CG2 3.9Å
166E65.1Low59.2Low178 Ų178146.1 Ų146.183%0.83281%0.808SS**  trans-131.9107.3159.9-59.3-172.8176.800103.2
167E61.2Low58.7Low175 Ų175144.2 Ų144.282%0.81881%0.807SS**  38.8118.683.1-109.6-172.7164.800109.1
168E55.4Low57.9Low152 Ų152142.1 Ų142.171%0.7181%0.805SS**  cis166.3147.644.2177.5-179.4147.200101.7
169L61.3Low57.9Low160 Ų160141.1 Ų141.184%0.83881%0.81SS**  trans168.183.8138.7-87.3166.9000108.7
170D56.1Low57.6Low133 Ų133143.9 Ų143.971%0.71181%0.807SS**  trans-60.9133.8146-176.823.4000109
171A61.1Low57.8Low94 Ų94141.8 Ų141.878%0.77781%0.808SS**  trans-147.387.9164.600000107.9
172T60Low57.6Low118 Ų118146.3 Ų146.372%0.72482%0.815SS**  trans-63.1125.216253.40000111.8
173E53Low57.7Low264 Ų264147.4 Ų147.4100%1.23481%0.814SS**  166.70118.3-166.5173.7171.300110.5

Retrieved 173 of 173 residues in 25.9 ms (Link to these results)