A0A023IPD5_HUMAN Loading...

Integrin b7 subunit

AlphaFold DB , UniProt , Accession A0A023IPD5, Species HUMAN (Homo sapiens, Human), Gene ITGB7, Length 50 aa.

>A0A023IPD5_HUMAN|A0A023IPD5|ITGB7
QAIVLGCVGGIVAVGLGLVLAYRLSVEIYDRREYSRFEKEQQQLNWKQDS
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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
1Q61.5Low88.4Confident207 Ų20797.2 Ų97.297%0.96760%0.601SS**  0-25.20-93.6177.5-500114.5I3 V4 L5Q1-I3 VanDerWaalsContact C-N 3.28Å; Q1-I3 PolarHBondContact O-N 3.35Å; Q1-V4 PolarHBondContact O-N 3.22Å; Q1-V4 VanDerWaalsContact O-N 3.17Å; Q1-L5 PolarHBondContact O-N 3.25Å
2A75.1Confident89.1Confident83 Ų8395.8 Ų95.869%0.68659%0.591SS**Hα-helixtrans-56.1-34.2-177.300000115.3L5 G6A2-L5 PolarHBondContact O-N 3.13Å; A2-G6 PolarHBondContact O-N 3.46Å
3I85.8Confident89.7Confident142 Ų14293 Ų9373%0.72858%0.584SS**Hα-helixtrans-65.2-41.9179.7-56.7172.6000111.2Q1 G6 C7Q1-I3 VanDerWaalsContact C-N 3.28Å; Q1-I3 PolarHBondContact O-N 3.35Å; I3-G6 PolarHBondContact O-N 3.3Å; I3-C7 PolarHBondContact O-N 3.19Å; I3-C7 PolarHBondContact O-SG 3.39Å
4V90.4Very high90.2Very high98 Ų9893 Ų9359%0.59458%0.582SS**Hα-helixtrans-66.2-43.1179.9-178.20000110.3Q1 G6 C7 V8Q1-V4 PolarHBondContact O-N 3.22Å; Q1-V4 VanDerWaalsContact O-N 3.17Å; V4-G6 VanDerWaalsContact C-N 3.34Å; V4-G6 PolarHBondContact O-N 3.04Å; V4-C7 PolarHBondContact O-N 2.92Å; V4-V8 HydrophobicContact CG1-CG2 4.41Å; V4-V8 VanDerWaalsContact O-CG2 3.24Å; V4-V8 WeakPolarHBondContact O-CG2 3.29Å; V4-V8 PolarHBondContact O-N 3.4Å
5L89.6Confident90.7Very high127 Ų12789 Ų8967%0.66557%0.566SS**Hα-helixtrans-63.3-39.6176.5-72165.7000112.1Q1 A2 G9Q1-L5 PolarHBondContact O-N 3.25Å; A2-L5 PolarHBondContact O-N 3.13Å; L5-G9 PolarHBondContact O-N 3.47Å
6G91.2Very high91.1Very high50 Ų5090 Ų9052%0.51557%0.565SS.*Hα-helixtrans-64.6-45.3174.400000112.8A2 I3 V4 G9 G10A2-G6 PolarHBondContact O-N 3.46Å; I3-G6 PolarHBondContact O-N 3.3Å; V4-G6 VanDerWaalsContact C-N 3.34Å; V4-G6 PolarHBondContact O-N 3.04Å; G6-G9 PolarHBondContact O-N 2.88Å; G6-G10 PolarHBondContact O-N 3.3Å
7C94.5Very high91.4Very high76 Ų7687.1 Ų87.151%0.51456%0.556SS.*Hα-helixtrans-61.9-46176.9-780000112.1I3 V4 G10 I11I3-C7 PolarHBondContact O-N 3.19Å; I3-C7 PolarHBondContact O-SG 3.39Å; V4-C7 PolarHBondContact O-N 2.92Å; C7-G10 PolarHBondContact O-N 3.44Å; C7-I11 WeakPolarHBondContact O-CG1 3.48Å; C7-I11 PolarHBondContact O-N 3.45Å
8V95.5Very high91.8Very high82 Ų8288.7 Ų88.750%0.49756%0.559SS.*Hα-helixtrans-62.9-45.2178.2174.50000110.4V4 G10 I11 V12V4-V8 HydrophobicContact CG1-CG2 4.41Å; V4-V8 VanDerWaalsContact O-CG2 3.24Å; V4-V8 WeakPolarHBondContact O-CG2 3.29Å; V4-V8 PolarHBondContact O-N 3.4Å; V8-G10 VanDerWaalsContact C-N 3.32Å; V8-G10 PolarHBondContact O-N 3.41Å; V8-I11 PolarHBondContact O-N 2.93Å; V8-V12 HydrophobicContact CG1-CG2 4.46Å; V8-V12 VanDerWaalsContact O-CG2 3.29Å; V8-V12 WeakPolarHBondContact O-CG2 3.47Å; V8-V12 PolarHBondContact O-N 2.94Å
9G95.9Very high92Very high40 Ų4088.6 Ų88.641%0.41256%0.557SS.*Hα-helixtrans-59.3-41.8176.300000112.9L5 G6 V12 A13L5-G9 PolarHBondContact O-N 3.47Å; G6-G9 PolarHBondContact O-N 2.88Å; G9-V12 PolarHBondContact O-N 3.32Å; G9-A13 WeakPolarHBondContact O-CB 3.29Å; G9-A13 PolarHBondContact O-N 3.22Å
10G95.9Very high92.2Very high36 Ų3689.7 Ų89.737%0.37156%0.558SS.*Hα-helixtrans-63.2-47.1177.200000113G6 C7 V8 V12 A13 V14G6-G10 PolarHBondContact O-N 3.3Å; C7-G10 PolarHBondContact O-N 3.44Å; V8-G10 VanDerWaalsContact C-N 3.32Å; V8-G10 PolarHBondContact O-N 3.41Å; G10-V12 VanDerWaalsContact C-N 3.33Å; G10-V12 PolarHBondContact O-N 3.49Å; G10-A13 PolarHBondContact O-N 2.92Å; G10-V14 VanDerWaalsContact O-CG2 3.32Å; G10-V14 WeakPolarHBondContact O-CG2 3.42Å; G10-V14 PolarHBondContact O-N 3.22Å
11I96.8Very high92.4Very high128 Ų12887.8 Ų87.866%0.65655%0.551SS**Hα-helixtrans-61.9-43.6179.2-65.7163.7000110.7C7 V8 V14 G15C7-I11 WeakPolarHBondContact O-CG1 3.48Å; C7-I11 PolarHBondContact O-N 3.45Å; V8-I11 PolarHBondContact O-N 2.93Å; I11-V14 PolarHBondContact O-N 3.17Å; I11-G15 PolarHBondContact O-N 2.89Å
12V96.8Very high94Very high80 Ų8085.6 Ų85.649%0.48554%0.535SS..Hα-helixtrans-63.6-43.3178.4173.60000111.1V8 G9 G10 G15 L16V8-V12 HydrophobicContact CG1-CG2 4.46Å; V8-V12 VanDerWaalsContact O-CG2 3.29Å; V8-V12 WeakPolarHBondContact O-CG2 3.47Å; V8-V12 PolarHBondContact O-N 2.94Å; G9-V12 PolarHBondContact O-N 3.32Å; G10-V12 VanDerWaalsContact C-N 3.33Å; G10-V12 PolarHBondContact O-N 3.49Å; V12-G15 PolarHBondContact O-N 3.47Å; V12-L16 HydrophobicContact CG1-CD1 3.95Å; V12-L16 WeakPolarHBondContact O-CB 3.5Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.41Å
13A96.9Very high94.8Very high60 Ų6090.3 Ų90.350%0.49654%0.536SS..Hα-helixtrans-63.1-42.8177.800000112.3G9 G10 L16 G17G9-A13 WeakPolarHBondContact O-CB 3.29Å; G9-A13 PolarHBondContact O-N 3.22Å; G10-A13 PolarHBondContact O-N 2.92Å; A13-L16 PolarHBondContact O-N 3.02Å; A13-G17 PolarHBondContact O-N 2.99Å
14V97.3Very high95.1Very high93 Ų9388.5 Ų88.556%0.56453%0.527SS*.Hα-helixtrans-65-44.5176.61730000111G10 I11 L16 G17 L18G10-V14 VanDerWaalsContact O-CG2 3.32Å; G10-V14 WeakPolarHBondContact O-CG2 3.42Å; G10-V14 PolarHBondContact O-N 3.22Å; I11-V14 PolarHBondContact O-N 3.17Å; V14-L16 PolarHBondContact O-N 3.36Å; V14-G17 PolarHBondContact O-N 3.36Å; V14-L18 HydrophobicContact CG1-CD1 4.11Å; V14-L18 PolarHBondContact O-N 3.36Å
15G96.9Very high95.2Very high33 Ų3387.6 Ų87.634%0.3452%0.524SS..Hα-helixtrans-60-44.8176.300000112.4I11 V12 L18 V19I11-G15 PolarHBondContact O-N 2.89Å; V12-G15 PolarHBondContact O-N 3.47Å; G15-L18 PolarHBondContact O-N 3.11Å; G15-V19 VanDerWaalsContact O-CG2 3.31Å; G15-V19 WeakPolarHBondContact O-CG2 3.29Å; G15-V19 PolarHBondContact O-N 3.35Å
16L97.1Very high95.3Very high105 Ų10584.7 Ų84.755%0.5551%0.512SS..Hα-helixtrans-61.8-43.5175.3-81.5166.8000112.2V12 A13 V14 L18 V19 L20V12-L16 HydrophobicContact CG1-CD1 3.95Å; V12-L16 WeakPolarHBondContact O-CB 3.5Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.41Å; A13-L16 PolarHBondContact O-N 3.02Å; V14-L16 PolarHBondContact O-N 3.36Å; L16-L18 PolarHBondContact O-N 3.06Å; L16-V19 PolarHBondContact O-N 2.86Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.23Å
17G97.4Very high95.1Very high40 Ų4088.8 Ų88.841%0.41252%0.518SS..Hα-helixtrans-60-44.9176.500000112.7A13 V14 L20 A21A13-G17 PolarHBondContact O-N 2.99Å; V14-G17 PolarHBondContact O-N 3.36Å; G17-L20 PolarHBondContact O-N 2.92Å; G17-A21 WeakPolarHBondContact O-CB 2.87Å; G17-A21 PolarHBondContact O-N 3.39Å
18L97Very high94.7Very high117 Ų11789.9 Ų89.961%0.61352%0.518SS*.Hα-helixtrans-63.7-43.2176.5-82.7163.9000112.4V14 G15 L16 A21 Y22V14-L18 HydrophobicContact CG1-CD1 4.11Å; V14-L18 PolarHBondContact O-N 3.36Å; G15-L18 PolarHBondContact O-N 3.11Å; L16-L18 PolarHBondContact O-N 3.06Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-Y22 WeakPolarHBondContact O-CB 3.32Å; L18-Y22 PolarHBondContact O-N 2.95Å
19V96.4Very high94.1Very high86 Ų8693.6 Ų93.652%0.52152%0.524SS..Hα-helixtrans-63.5-42.7178.3169.10000111.3G15 L16 Y22 R23G15-V19 VanDerWaalsContact O-CG2 3.31Å; G15-V19 WeakPolarHBondContact O-CG2 3.29Å; G15-V19 PolarHBondContact O-N 3.35Å; L16-V19 PolarHBondContact O-N 2.86Å; V19-Y22 PolarHBondContact O-N 3.45Å; V19-R23 WeakPolarHBondContact O-CB 3.21Å; V19-R23 WeakPolarHBondContact O-CG 3.41Å; V19-R23 PolarHBondContact O-N 2.86Å
20L95.6Very high93.3Very high111 Ų11196.8 Ų96.858%0.58153%0.531SS*.Hα-helixtrans-64.9-45.3176.5-74.2172000111.6L16 G17 Y22 R23 L24L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.23Å; G17-L20 PolarHBondContact O-N 2.92Å; L20-Y22 VanDerWaalsContact C-N 3.31Å; L20-Y22 PolarHBondContact O-N 3.41Å; L20-R23 PolarHBondContact O-N 2.97Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 3.45Å
21A96.1Very high92.4Very high50 Ų50104.5 Ų104.541%0.41355%0.549SS..Hα-helixtrans-58.2-45.7175.600000111G17 L18 L24 S25G17-A21 WeakPolarHBondContact O-CB 2.87Å; G17-A21 PolarHBondContact O-N 3.39Å; L18-A21 PolarHBondContact O-N 3.44Å; A21-L24 PolarHBondContact O-N 3.41Å; A21-S25 WeakPolarHBondContact O-CB 3.46Å; A21-S25 PolarHBondContact O-N 3.06Å; A21-S25 PolarHBondContact O-OG 3.35Å
22Y95.4Very high91.4Very high160 Ų160107.7 Ų107.763%0.62755%0.553SS**Hα-helixtrans-61.7-46.3176.8178.9-102.8000112.4L18 V19 L20 L24 S25 V26L18-Y22 WeakPolarHBondContact O-CB 3.32Å; L18-Y22 PolarHBondContact O-N 2.95Å; V19-Y22 PolarHBondContact O-N 3.45Å; L20-Y22 VanDerWaalsContact C-N 3.31Å; L20-Y22 PolarHBondContact O-N 3.41Å; Y22-L24 VanDerWaalsContact C-N 3.34Å; Y22-L24 PolarHBondContact O-N 2.9Å; Y22-S25 PolarHBondContact O-N 3.18Å; Y22-V26 HydrophobicContact CD1-CG2 4.2Å; Y22-V26 HydrophobicContact CD2-CG2 4.21Å; Y22-V26 HydrophobicContact CE1-CG2 3.76Å; Y22-V26 HydrophobicContact CE2-CG2 3.77Å; Y22-V26 HydrophobicContact CG-CG2 4.41Å; Y22-V26 WeakPolarHBondContact O-CB 3.4Å; Y22-V26 WeakPolarHBondContact O-CG2 3.37Å; Y22-V26 PolarHBondContact O-N 3.41Å
23R93.3Very high90.4Very high183 Ų183108.4 Ų108.469%0.69155%0.551SS**Hα-helixtrans-56.7-46.8176.7-82.4-75.7-169.3170.10.9111.8V19 L20 V26 E27V19-R23 WeakPolarHBondContact O-CB 3.21Å; V19-R23 WeakPolarHBondContact O-CG 3.41Å; V19-R23 PolarHBondContact O-N 2.86Å; L20-R23 PolarHBondContact O-N 2.97Å; R23-V26 PolarHBondContact O-N 3.41Å; R23-E27 WeakPolarHBondContact O-CB 3.31Å; R23-E27 PolarHBondContact O-N 3.29Å
24L91.6Very high89Confident104 Ų104112.6 Ų112.655%0.54556%0.555SS.*Hα-helixtrans-65.9-43.2177.2-68.6174.2000111.8L20 A21 Y22 V26 E27 I28L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 3.45Å; A21-L24 PolarHBondContact O-N 3.41Å; Y22-L24 VanDerWaalsContact C-N 3.34Å; Y22-L24 PolarHBondContact O-N 2.9Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.38Å; L24-E27 PolarHBondContact O-N 3.24Å; L24-I28 WeakPolarHBondContact O-CB 3.4Å; L24-I28 WeakPolarHBondContact O-CD1 3.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 2.89Å
25S92.6Very high87.9Confident78 Ų78110.9 Ų110.955%0.54555%0.547SS..Hα-helixtrans-58.8-45.1176.1-680000111.5A21 Y22 Y29A21-S25 WeakPolarHBondContact O-CB 3.46Å; A21-S25 PolarHBondContact O-N 3.06Å; A21-S25 PolarHBondContact O-OG 3.35Å; Y22-S25 PolarHBondContact O-N 3.18Å; S25-Y29 WeakPolarHBondContact O-CB 3.39Å; S25-Y29 PolarHBondContact O-N 3.03Å
26V90.2Very high87Confident67 Ų67118.1 Ų118.141%0.40656%0.564SS.*Hα-helixtrans-64.2-46.8177.2170.60000110.9Y22 R23 L24 I28 Y29 D30Y22-V26 HydrophobicContact CD1-CG2 4.2Å; Y22-V26 HydrophobicContact CD2-CG2 4.21Å; Y22-V26 HydrophobicContact CE1-CG2 3.76Å; Y22-V26 HydrophobicContact CE2-CG2 3.77Å; Y22-V26 HydrophobicContact CG-CG2 4.41Å; Y22-V26 WeakPolarHBondContact O-CB 3.4Å; Y22-V26 WeakPolarHBondContact O-CG2 3.37Å; Y22-V26 PolarHBondContact O-N 3.41Å; R23-V26 PolarHBondContact O-N 3.41Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.38Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 2.99Å; V26-Y29 PolarHBondContact O-N 2.86Å; V26-D30 WeakPolarHBondContact O-CB 3.39Å; V26-D30 PolarHBondContact O-N 2.91Å
27E88.4Confident85.9Confident135 Ų135119 Ų11963%0.63156%0.564SS**Hα-helixtrans-64.7-37.4-179.1-170.9164.5106.700112.8R23 L24 R31R23-E27 WeakPolarHBondContact O-CB 3.31Å; R23-E27 PolarHBondContact O-N 3.29Å; L24-E27 PolarHBondContact O-N 3.24Å; E27-R31 PolarHBondContact O-N 3.43Å
28I85.4Confident84.8Confident100 Ų100122.6 Ų122.651%0.51357%0.57SS.*Hα-helixtrans-70.3-40.7174.8-67166.1000111L24 V26 D30 R31 R32L24-I28 WeakPolarHBondContact O-CB 3.4Å; L24-I28 WeakPolarHBondContact O-CD1 3.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 2.89Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 2.99Å; I28-D30 VanDerWaalsContact C-N 3.35Å; I28-R31 PolarHBondContact O-N 2.9Å; I28-R32 PolarHBondContact O-N 2.98Å
29Y82.3Confident83.7Confident159 Ų159123.8 Ų123.862%0.62457%0.57SS**Hα-helixtrans-62.2-46.8178.2-167-102000110.5S25 V26 R31 R32 E33S25-Y29 WeakPolarHBondContact O-CB 3.39Å; S25-Y29 PolarHBondContact O-N 3.03Å; V26-Y29 PolarHBondContact O-N 2.86Å; Y29-R31 PolarHBondContact O-N 3.48Å; Y29-R32 PolarHBondContact O-N 3.38Å; Y29-E33 WeakPolarHBondContact CD1-OE2 3.38Å; Y29-E33 WeakPolarHBondContact CE1-OE2 3.39Å; Y29-E33 PolarHBondContact O-N 3.38Å
30D80.1Confident82.8Confident108 Ų108125 Ų12558%0.57857%0.57SS**Hα-helixtrans-57.6-48.6175.8-161.369000111V26 I28 R32 E33 Y34V26-D30 WeakPolarHBondContact O-CB 3.39Å; V26-D30 PolarHBondContact O-N 2.91Å; I28-D30 VanDerWaalsContact C-N 3.35Å; D30-R32 PolarHBondContact O-N 3.45Å; D30-E33 PolarHBondContact O-N 2.9Å; D30-Y34 VanDerWaalsContact O-CB 3.29Å; D30-Y34 WeakPolarHBondContact O-CB 3.45Å; D30-Y34 PolarHBondContact O-N 3.35Å
31R77.5Confident81.8Confident198 Ų198126.1 Ų126.175%0.74757%0.572SS**Hα-helixtrans-60.9-39.2175.9-101.7-167.2-167-109.44.2114.2E27 I28 Y29 Y34 S35E27-R31 PolarHBondContact O-N 3.43Å; I28-R31 PolarHBondContact O-N 2.9Å; Y29-R31 PolarHBondContact O-N 3.48Å; R31-Y34 PolarHBondContact O-N 3.39Å; R31-S35 PolarHBondContact O-N 3.49Å
32R75.7Confident80.7Confident194 Ų194130.9 Ų130.973%0.73259%0.586SS**Hα-helixtrans-70.3-41-178.1-87.3-163.7176.91771.6111.6I28 Y29 D30 R36I28-R32 PolarHBondContact O-N 2.98Å; Y29-R32 PolarHBondContact O-N 3.38Å; D30-R32 PolarHBondContact O-N 3.45Å; R32-R36 PolarHBondContact O-N 2.98Å
33E74.4Confident79.6Confident95 Ų95129.6 Ų129.644%0.44459%0.586SS.*Hα-helixtrans-66-41.8172.2-91.4-171.792.600111.3Y29 D30 S35 R36 F37Y29-E33 WeakPolarHBondContact CD1-OE2 3.38Å; Y29-E33 WeakPolarHBondContact CE1-OE2 3.39Å; Y29-E33 PolarHBondContact O-N 3.38Å; D30-E33 PolarHBondContact O-N 2.9Å; E33-S35 VanDerWaalsContact C-N 3.34Å; E33-S35 PolarHBondContact O-N 3.45Å; E33-R36 PolarHBondContact O-N 2.98Å; E33-R36 VanDerWaalsContact O-N 3.11Å; E33-F37 PolarHBondContact O-N 3.48Å
34Y68.1Low78.5Confident149 Ų149126.6 Ų126.658%0.58458%0.583SS**Hα-helixtrans-58-44.8179.1-150.1-89.5000112.4D30 R31 R36 F37 E38D30-Y34 VanDerWaalsContact O-CB 3.29Å; D30-Y34 WeakPolarHBondContact O-CB 3.45Å; D30-Y34 PolarHBondContact O-N 3.35Å; R31-Y34 PolarHBondContact O-N 3.39Å; Y34-R36 VanDerWaalsContact C-N 3.32Å; Y34-R36 PolarHBondContact O-N 2.95Å; Y34-F37 PolarHBondContact O-N 3.44Å; Y34-E38 HydrophobicContact CD1-CG 4.18Å; Y34-E38 HydrophobicContact CE1-CG 4.15Å; Y34-E38 PolarHBondContact O-N 3.39Å
35S74.4Confident77.2Confident56 Ų56127.1 Ų127.139%0.39259%0.586SS.*Hα-helixtrans-68.8-28.8179.4-171.80000113.3R31 E33 K39R31-S35 PolarHBondContact O-N 3.49Å; E33-S35 VanDerWaalsContact C-N 3.34Å; E33-S35 PolarHBondContact O-N 3.45Å; S35-K39 VanDerWaalsContact O-CG 3.29Å; S35-K39 WeakPolarHBondContact O-CG 3.24Å; S35-K39 PolarHBondContact O-N 2.99Å
36R77.1Confident75.9Confident186 Ų186133.4 Ų133.470%0.70260%0.598SS**Hα-helixtrans-71.3-44.1171-86.9-168137.2-134.4-3.3111.1R32 E33 Y34 E38 K39 E40R32-R36 PolarHBondContact O-N 2.98Å; E33-R36 PolarHBondContact O-N 2.98Å; E33-R36 VanDerWaalsContact O-N 3.11Å; Y34-R36 VanDerWaalsContact C-N 3.32Å; Y34-R36 PolarHBondContact O-N 2.95Å; R36-E38 PolarHBondContact O-N 2.96Å; R36-K39 PolarHBondContact O-N 3.27Å; R36-E40 WeakPolarHBondContact O-CG 3.29Å; R36-E40 PolarHBondContact O-N 3.06Å
37F75.8Confident74.5Confident124 Ų124137.5 Ų137.554%0.54461%0.61SS.*Hα-helixtrans-60.1-43.4178.1-115.1-83.1000112.6E33 Y34 K39 E40 Q41E33-F37 PolarHBondContact O-N 3.48Å; Y34-F37 PolarHBondContact O-N 3.44Å; F37-K39 PolarHBondContact O-N 3.36Å; F37-E40 PolarHBondContact O-N 3.04Å; F37-Q41 PolarHBondContact O-N 3.4Å
38E73.9Confident73.4Confident114 Ų114139.1 Ų139.153%0.53362%0.618SS.*Hα-helixtrans-62.3-42.8176-79.9-1739600111.9Y34 R36 E40 Q41 Q42Y34-E38 HydrophobicContact CD1-CG 4.18Å; Y34-E38 HydrophobicContact CE1-CG 4.15Å; Y34-E38 PolarHBondContact O-N 3.39Å; R36-E38 PolarHBondContact O-N 2.96Å; E38-E40 VanDerWaalsContact C-N 3.32Å; E38-E40 PolarHBondContact O-N 2.97Å; E38-Q41 PolarHBondContact O-N 3.29Å; E38-Q42 WeakPolarHBondContact O-CB 3.4Å; E38-Q42 PolarHBondContact O-N 3.43Å
39K74.1Confident72.1Confident142 Ų142141.6 Ų141.662%0.61763%0.632SS**Hα-helixtrans-63.3-38.7177.3-74.4176.8-178.8-176.10112.1S35 R36 F37 Q43S35-K39 VanDerWaalsContact O-CG 3.29Å; S35-K39 WeakPolarHBondContact O-CG 3.24Å; S35-K39 PolarHBondContact O-N 2.99Å; R36-K39 PolarHBondContact O-N 3.27Å; F37-K39 PolarHBondContact O-N 3.36Å; K39-Q43 WeakPolarHBondContact O-CB 3.42Å; K39-Q43 PolarHBondContact O-N 3.34Å; K39-Q43 VanDerWaalsContact O-N 3.17Å
40E76.4Confident70.7Confident112 Ų112141.4 Ų141.452%0.52365%0.654SS.*Hα-helixtrans-68.2-42.1175.8-70-172.9117.400111.7R36 F37 E38 Q43 L44R36-E40 WeakPolarHBondContact O-CG 3.29Å; R36-E40 PolarHBondContact O-N 3.06Å; F37-E40 PolarHBondContact O-N 3.04Å; E38-E40 VanDerWaalsContact C-N 3.32Å; E38-E40 PolarHBondContact O-N 2.97Å; E40-Q43 PolarHBondContact O-N 3.47Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.32Å; E40-L44 PolarHBondContact O-N 2.95Å
41Q75.5Confident70.2Confident135 Ų135143.1 Ų143.163%0.63166%0.658SS**Hα-helixtrans-63.1-42.3174.1-76.2-15249.400113F37 E38 Q43 L44 N45F37-Q41 PolarHBondContact O-N 3.4Å; E38-Q41 PolarHBondContact O-N 3.29Å; Q41-Q43 VanDerWaalsContact C-N 3.3Å; Q41-Q43 PolarHBondContact O-N 3.33Å; Q41-L44 PolarHBondContact O-N 2.98Å; Q41-N45 WeakPolarHBondContact O-CB 3.33Å; Q41-N45 PolarHBondContact O-N 3.17Å
42Q72.6Confident69.8Low150 Ų150140.2 Ų140.270%0.70165%0.653SS**Hα-helixtrans-63.7-38.3-180-133.7-179.9-22.500111.6E38 W46E38-Q42 WeakPolarHBondContact O-CB 3.4Å; E38-Q42 PolarHBondContact O-N 3.43Å; Q42-W46 PolarHBondContact O-N 2.92Å; Q42-W46 VanDerWaalsContact O-N 3.13Å
43Q73.1Confident69.5Low132 Ų132137.2 Ų137.262%0.61765%0.649SS**Hα-helixtrans-72.2-33.1177.2-161.4-174-97.400112.6K39 E40 Q41 K47K39-Q43 WeakPolarHBondContact O-CB 3.42Å; K39-Q43 PolarHBondContact O-N 3.34Å; K39-Q43 VanDerWaalsContact O-N 3.17Å; E40-Q43 PolarHBondContact O-N 3.47Å; Q41-Q43 VanDerWaalsContact C-N 3.3Å; Q41-Q43 PolarHBondContact O-N 3.33Å; Q43-K47 PolarHBondContact O-N 2.93Å
44L69.9Low69.2Low120 Ų120139.6 Ų139.663%0.62866%0.661SS**Hα-helixtrans-68.2-42.5173.1-73.2165.8000111.3E40 Q41 W46 K47 Q48E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.32Å; E40-L44 PolarHBondContact O-N 2.95Å; Q41-L44 PolarHBondContact O-N 2.98Å; L44-W46 VanDerWaalsContact C-N 3.35Å; L44-W46 PolarHBondContact O-N 3.31Å; L44-K47 PolarHBondContact O-N 3.34Å; L44-Q48 PolarHBondContact O-N 3.39Å
45N63.5Low69.3Low116 Ų116139.1 Ų139.162%0.6267%0.666SS**Hα-helixtrans-64.2-39.6178.8-153.710.4000111.7Q41 K47 Q48 D49Q41-N45 WeakPolarHBondContact O-CB 3.33Å; Q41-N45 PolarHBondContact O-N 3.17Å; N45-K47 VanDerWaalsContact C-N 3.27Å; N45-K47 PolarHBondContact O-N 3.49Å; N45-Q48 PolarHBondContact O-N 2.96Å; N45-D49 PolarHBondContact O-N 3.21Å
46W64.8Low68.9Low210 Ų210144.6 Ų144.680%0.79568%0.684SS**Hα-helixtrans-61.3-31.9175.8-174.9-91.2000113.7Q42 L44Q42-W46 PolarHBondContact O-N 2.92Å; Q42-W46 VanDerWaalsContact O-N 3.13Å; L44-W46 VanDerWaalsContact C-N 3.35Å; L44-W46 PolarHBondContact O-N 3.31Å
47K62.7Low68.3Low152 Ų152141.6 Ų141.666%0.66168%0.683SS**Hα-helixtrans-79.7-19.2178.8-74.2-170176.5-169.50113.9Q43 L44 N45Q43-K47 PolarHBondContact O-N 2.93Å; L44-K47 PolarHBondContact O-N 3.34Å; N45-K47 VanDerWaalsContact C-N 3.27Å; N45-K47 PolarHBondContact O-N 3.49Å
48Q64.5Low67.8Low169 Ų169143 Ų14379%0.7969%0.693SS**Hα-helixtrans-93.4-18.8-177.3-168.1162.9-54.500112.7L44 N45L44-Q48 PolarHBondContact O-N 3.39Å; N45-Q48 PolarHBondContact O-N 2.96Å
49D58.9Low67.3Low153 Ų153145.4 Ų145.482%0.81871%0.707SS**  trans-90.9-5178.6-161.7-116.6000113.6N45N45-D49 PolarHBondContact O-N 3.21Å
50S51.3Low66.6Low154 Ų154145.7 Ų145.7100%1.07772%0.715SS**  trans-108.40176.3-173.80000112.5

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