A0A5K4F5K4_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F5K4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 99 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
1M41.8Very low49.1Very low240 Ų240118.1 Ų118.1100%1.18265%0.645SS**  0590-167.2179.4-174.800109.8
2C48.7Very low49.5Very low104 Ų104116.6 Ų116.670%0.70364%0.642SS**  trans-131.3-13-178.1-153.40000113
3L39.3Very low49.5Very low148 Ų148116.2 Ų116.278%0.77564%0.637SS**THydrogen-bonded Turntrans-83.1-11.5-174.5-65.4173.7000114.3T6L3-T6 PolarHBondContact O-OG1 3.43Å
4T49.7Very low49.4Very low93 Ų93112 Ų11257%0.57162%0.621SS**Hα-helixtrans-87.2-17.3-176.849.40000114.2
5M48.6Very low49.5Very low151 Ų151113.3 Ų113.374%0.74463%0.626SS**Hα-helixtrans-79.4-22.6179.2-68.2-64.9-178.500112.9T9M5-T9 PolarHBondContact O-OG1 3.44Å
6T53.4Low49.4Very low73 Ų73114.9 Ų114.945%0.44863%0.633SS.*Hα-helixtrans-77.6-33.3-177.82.70000112.7L3 T9 L10L3-T6 PolarHBondContact O-OG1 3.43Å; T6-T9 PolarHBondContact O-OG1 2.9Å; T6-L10 WeakPolarHBondContact O-CB 3.19Å; T6-L10 WeakPolarHBondContact O-CD1 3.27Å; T6-L10 VanDerWaalsContact O-CG 3.3Å; T6-L10 WeakPolarHBondContact O-CG 3.24Å; T6-L10 PolarHBondContact O-N 3.33Å; T6-L10 VanDerWaalsContact O-N 3.16Å
7E51.9Low49.2Very low138 Ų138111 Ų11165%0.64562%0.616SS**Hα-helixtrans-71.5-38.3-178-67.1-178.616700112.1T9 S11E7-T9 PolarHBondContact O-N 3.21Å; E7-S11 WeakPolarHBondContact O-CB 3.2Å; E7-S11 PolarHBondContact O-N 3.4Å; E7-S11 PolarHBondContact O-OG 3.41Å
8N52.5Low49.5Very low119 Ų119111.7 Ų111.764%0.63663%0.626SS**Hα-helixtrans-72.7-28.1-179.9-88.18.9000113.4S11 V12N8-S11 PolarHBondContact O-OG 3.14Å; N8-V12 VanDerWaalsContact O-CG2 3.27Å; N8-V12 WeakPolarHBondContact O-CG2 3.38Å
9T51.3Low49.6Very low83 Ų83113.4 Ų113.451%0.50963%0.633SS.*Hα-helixtrans-79.7-38.8175.936.80000111.7M5 T6 E7 L13M5-T9 PolarHBondContact O-OG1 3.44Å; T6-T9 PolarHBondContact O-OG1 2.9Å; E7-T9 PolarHBondContact O-N 3.21Å; T9-L13 PolarHBondContact O-N 3.34Å; T9-L13 VanDerWaalsContact O-N 3.1Å
10L50.8Low49.4Very low94 Ų94114.1 Ų114.149%0.49263%0.627SS.*Hα-helixtrans-67.8-37.5176.8-72.1169000112.5T6 L13 S14T6-L10 WeakPolarHBondContact O-CB 3.19Å; T6-L10 WeakPolarHBondContact O-CD1 3.27Å; T6-L10 VanDerWaalsContact O-CG 3.3Å; T6-L10 WeakPolarHBondContact O-CG 3.24Å; T6-L10 PolarHBondContact O-N 3.33Å; T6-L10 VanDerWaalsContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.37Å; L10-S14 VanDerWaalsContact O-CB 3.24Å; L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.31Å
11S51.7Low49.3Very low56 Ų56113.3 Ų113.339%0.39263%0.629SS.*Hα-helixtrans-67.7-36.617868.10000112.7E7 N8 S14 N15E7-S11 WeakPolarHBondContact O-CB 3.2Å; E7-S11 PolarHBondContact O-N 3.4Å; E7-S11 PolarHBondContact O-OG 3.41Å; N8-S11 PolarHBondContact O-OG 3.14Å; S11-S14 PolarHBondContact O-N 3.45Å; S11-N15 PolarHBondContact O-ND2 3.42Å
12V54.4Low49.8Very low100 Ų100104.2 Ų104.261%0.60659%0.592SS**Hα-helixtrans-71.2-37.8176.2176.10000111.5N8N8-V12 VanDerWaalsContact O-CG2 3.27Å; N8-V12 WeakPolarHBondContact O-CG2 3.38Å
13L49.9Very low49.8Very low111 Ų111107.1 Ų107.158%0.58159%0.59SS**Hα-helixtrans-69.7-34.1173.8-90.1150.9000112.7T9 L10 N15 N16T9-L13 PolarHBondContact O-N 3.34Å; T9-L13 VanDerWaalsContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.37Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 2.86Å; L13-N16 PolarHBondContact O-N 3.1Å
14S47.4Very low50.4Low58 Ų58104 Ų10441%0.40658%0.578SS.*Hα-helixtrans-63.4-28.9179.9-173.70000113.2L10 S11L10-S14 VanDerWaalsContact O-CB 3.24Å; L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.31Å; S11-S14 PolarHBondContact O-N 3.45Å
15N50.9Low50.4Low132 Ų132106.4 Ų106.471%0.70659%0.585SS**THydrogen-bonded Turntrans-82.8-16.3-174.8-69.3-21.8000114.1S11 L13S11-N15 PolarHBondContact O-ND2 3.42Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 2.86Å
16N48.8Very low50.6Low138 Ų138105.2 Ų105.274%0.73858%0.577SS**SBendtrans-1144-171.4-77.1-2.6000114.9L13L13-N16 PolarHBondContact O-N 3.1Å
17S46Very low50.5Low49 Ų49107.1 Ų107.134%0.34358%0.581SS.*  trans-133.4107.9-176.3-63.10000111.8L19 Y20S17-L19 PolarHBondContact O-N 3.06Å; S17-Y20 PolarHBondContact O-N 3.45Å
18P53.7Low50.6Low123 Ų123103.8 Ų103.880%0.79958%0.577SS**G310 helixtrans-63-1.8175.424.3-32.2000114Y20P18-Y20 VanDerWaalsContact C-N 3.28Å; P18-Y20 PolarHBondContact O-N 3.36Å
19L51.1Low50.8Low145 Ų145100.7 Ų100.776%0.75956%0.564SS**G310 helixtrans-67.6-22.5172-72.8168.5000113.6S17 S21 A22S17-L19 PolarHBondContact O-N 3.06Å; L19-S21 PolarHBondContact O-N 3.17Å; L19-A22 PolarHBondContact O-N 2.85Å
20Y45.6Very low51.1Low127 Ų127101.6 Ų101.650%0.49857%0.566SS.*G310 helixtrans-74.9-12.4-180-117.6-90.6000114.1S17 P18 A22 P24S17-Y20 PolarHBondContact O-N 3.45Å; P18-Y20 VanDerWaalsContact C-N 3.28Å; P18-Y20 PolarHBondContact O-N 3.36Å; Y20-A22 PolarHBondContact O-N 3.17Å; Y20-P24 WeakPolarHBondContact O-CD 3.45Å
21S47.5Very low51.4Low97 Ų97101.5 Ų101.568%0.67857%0.565SS**G310 helixtrans-68.9-20.2173.7-175.70000113L19L19-S21 PolarHBondContact O-N 3.17Å
22A52.7Low51.8Low50 Ų50101.7 Ų101.741%0.41356%0.564SS.*THydrogen-bonded Turntrans-91.4-25.5-176.900000113.4L19 Y20 M25 H26L19-A22 PolarHBondContact O-N 2.85Å; Y20-A22 PolarHBondContact O-N 3.17Å; A22-M25 PolarHBondContact O-N 3.03Å; A22-H26 PolarHBondContact O-CD2 3.16Å; A22-H26 PolarHBondContact O-N 3.36Å; A22-H26 VanDerWaalsContact O-N 3.14Å
23Y48.9Very low52.4Low164 Ų164101.7 Ų101.764%0.64356%0.561SS**Hα-helixtrans-65.8-43.6-173.7-133.2-96.5000114.7M25 H27Y23-M25 VanDerWaalsContact C-N 3.32Å; Y23-M25 PolarHBondContact O-N 3.28Å; Y23-H27 PolarHBondContact O-N 3.2Å
24P51.1Low53.2Low83 Ų83101.2 Ų101.254%0.53956%0.559SS.*Hα-helixtrans-69.6-29.9176.923.8-29.1000112.5Y20 A28Y20-P24 WeakPolarHBondContact O-CD 3.45Å; P24-A28 WeakPolarHBondContact O-CB 3.45Å; P24-A28 PolarHBondContact O-N 3.17Å
25M50.3Low54.2Low143 Ų143105 Ų10570%0.70457%0.57SS**Hα-helixtrans-69.4-42.2178.6-86.7-80.5-81.100112.7A22 Y23 S29A22-M25 PolarHBondContact O-N 3.03Å; Y23-M25 VanDerWaalsContact C-N 3.32Å; Y23-M25 PolarHBondContact O-N 3.28Å; M25-S29 PolarHBondContact O-N 3.27Å; M25-S29 PolarHBondContact O-OG 2.85Å
26H53.2Low54.8Low127 Ų127104 Ų10459%0.58856%0.563SS**Hα-helixtrans-71.4-39.6177.1-82.7-74.7000112.2A22 S29 L30A22-H26 PolarHBondContact O-CD2 3.16Å; A22-H26 PolarHBondContact O-N 3.36Å; A22-H26 VanDerWaalsContact O-N 3.14Å; H26-S29 PolarHBondContact O-OG 3.41Å; H26-L30 WeakPolarHBondContact O-CB 3.47Å; H26-L30 WeakPolarHBondContact O-CD1 3.44Å; H26-L30 WeakPolarHBondContact O-CG 3.3Å; H26-L30 PolarHBondContact O-N 3.49Å
27H50.9Low55.9Low112 Ų112103.8 Ų103.852%0.51956%0.558SS.*Hα-helixtrans-69.9-39.2-178.9-154.3-19.1000112.4Y23 S29 I31Y23-H27 PolarHBondContact O-N 3.2Å; H27-S29 VanDerWaalsContact C-N 3.33Å; H27-S29 PolarHBondContact O-N 2.98Å; H27-I31 VanDerWaalsContact CE1-CD1 3.42Å; H27-I31 WeakPolarHBondContact CE1-CD1 3.38Å; H27-I31 WeakPolarHBondContact ND1-CD1 3.4Å; H27-I31 WeakPolarHBondContact ND1-CG1 3.47Å; H27-I31 WeakPolarHBondContact O-CD1 3.16Å; H27-I31 WeakPolarHBondContact O-CG1 2.96Å; H27-I31 PolarHBondContact O-N 3.45Å
28A53.1Low56.9Low68 Ų68106 Ų10656%0.56257%0.565SS**Hα-helixtrans-69.5-27-18000000113.5P24 P32P24-A28 WeakPolarHBondContact O-CB 3.45Å; P24-A28 PolarHBondContact O-N 3.17Å; A28-P32 WeakPolarHBondContact O-CD 3.25Å; A28-P32 WeakPolarHBondContact O-CG 3.49Å
29S57.4Low57.6Low54 Ų54107.8 Ų107.838%0.37856%0.557SS.*Hα-helixtrans-87.3-30178.352.60000113.2M25 H26 H27 N33M25-S29 PolarHBondContact O-N 3.27Å; M25-S29 PolarHBondContact O-OG 2.85Å; H26-S29 PolarHBondContact O-OG 3.41Å; H27-S29 VanDerWaalsContact C-N 3.33Å; H27-S29 PolarHBondContact O-N 2.98Å; S29-N33 PolarHBondContact O-ND2 3.36Å
30L57.4Low58.3Low103 Ų103102.7 Ų102.754%0.53954%0.535SS..Hα-helixtrans-74.5-42.9-179.2-78.5165.1000113.2H26 N33 L34H26-L30 WeakPolarHBondContact O-CB 3.47Å; H26-L30 WeakPolarHBondContact O-CD1 3.44Å; H26-L30 WeakPolarHBondContact O-CG 3.3Å; H26-L30 PolarHBondContact O-N 3.49Å; L30-N33 PolarHBondContact O-N 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.5Å; L30-L34 PolarHBondContact O-N 2.97Å
31I58.5Low59.5Low92 Ų92100.4 Ų100.447%0.47254%0.535SS..Hα-helixtrans-56.3-53.8-178.7-63.3162.6000112.5H27 N33 L34 Q35H27-I31 VanDerWaalsContact CE1-CD1 3.42Å; H27-I31 WeakPolarHBondContact CE1-CD1 3.38Å; H27-I31 WeakPolarHBondContact ND1-CD1 3.4Å; H27-I31 WeakPolarHBondContact ND1-CG1 3.47Å; H27-I31 WeakPolarHBondContact O-CD1 3.16Å; H27-I31 WeakPolarHBondContact O-CG1 2.96Å; H27-I31 PolarHBondContact O-N 3.45Å; I31-N33 VanDerWaalsContact C-N 3.32Å; I31-N33 PolarHBondContact O-N 2.81Å; I31-L34 PolarHBondContact O-N 3.34Å; I31-Q35 PolarHBondContact O-N 3.21Å
32P58.7Low60.5Low59 Ų5999 Ų9938%0.38352%0.523SS..Hα-helixtrans-65.3-35.9-179.322.6-31.4000112.1A28 Q35 I36A28-P32 WeakPolarHBondContact O-CD 3.25Å; A28-P32 WeakPolarHBondContact O-CG 3.49Å; P32-Q35 PolarHBondContact O-N 2.95Å; P32-I36 WeakPolarHBondContact O-CB 3.43Å; P32-I36 WeakPolarHBondContact O-CD1 3.4Å; P32-I36 WeakPolarHBondContact O-CG1 3.42Å; P32-I36 PolarHBondContact O-N 3.4Å
33N68Low61Low100 Ų100101.9 Ų101.954%0.53552%0.524SS..Hα-helixtrans-63-44.6176.4-85.9-50.2000112.2S29 L30 I31 Q35 I36 Q37S29-N33 PolarHBondContact O-ND2 3.36Å; L30-N33 PolarHBondContact O-N 3.31Å; I31-N33 VanDerWaalsContact C-N 3.32Å; I31-N33 PolarHBondContact O-N 2.81Å; N33-Q35 VanDerWaalsContact C-N 3.34Å; N33-Q35 PolarHBondContact O-N 2.85Å; N33-I36 PolarHBondContact O-N 3.03Å; N33-Q37 WeakPolarHBondContact O-CB 3.16Å; N33-Q37 PolarHBondContact O-N 3.38Å
34L66.3Low61.7Low102 Ų10299.9 Ų99.953%0.53452%0.522SS..Hα-helixtrans-66.5-39.6179.7-134155.4000111L30 I31 Q37 I38L30-L34 WeakPolarHBondContact O-CB 3.5Å; L30-L34 PolarHBondContact O-N 2.97Å; I31-L34 PolarHBondContact O-N 3.34Å; L34-Q37 PolarHBondContact O-N 2.94Å; L34-I38 HydrophobicContact CD2-CD1 3.61Å; L34-I38 HydrophobicContact CD2-CG1 4.17Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 2.91Å
35Q68.1Low62.4Low137 Ų13799 Ų9964%0.6452%0.518SS*.Hα-helixtrans-64.4-44.1175.2-172.9175.6-24.900112.2I31 P32 N33 Q37 I38 Y39I31-Q35 PolarHBondContact O-N 3.21Å; P32-Q35 PolarHBondContact O-N 2.95Å; N33-Q35 VanDerWaalsContact C-N 3.34Å; N33-Q35 PolarHBondContact O-N 2.85Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-Q37 PolarHBondContact O-N 3.5Å; Q35-I38 PolarHBondContact O-N 2.93Å; Q35-Y39 WeakPolarHBondContact O-CB 3.11Å; Q35-Y39 PolarHBondContact O-N 3.42Å
36I64.1Low63Low110 Ų11095 Ų9556%0.56450%0.502SS*.Hα-helixtrans-61.6-42.3176.1-69.3163.3000110.3P32 N33 Y39 A40P32-I36 WeakPolarHBondContact O-CB 3.43Å; P32-I36 WeakPolarHBondContact O-CD1 3.4Å; P32-I36 WeakPolarHBondContact O-CG1 3.42Å; P32-I36 PolarHBondContact O-N 3.4Å; N33-I36 PolarHBondContact O-N 3.03Å; I36-Y39 PolarHBondContact O-N 3.34Å; I36-A40 VanDerWaalsContact O-CB 3.27Å; I36-A40 WeakPolarHBondContact O-CB 3.38Å; I36-A40 PolarHBondContact O-N 2.73Å
37Q70.7Confident63.4Low134 Ų13494.4 Ų94.463%0.62650%0.498SS*.Hα-helixtrans-67.7-40-179.1-166.4175.2-11.400112.4N33 L34 Q35 T41N33-Q37 WeakPolarHBondContact O-CB 3.16Å; N33-Q37 PolarHBondContact O-N 3.38Å; L34-Q37 PolarHBondContact O-N 2.94Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-Q37 PolarHBondContact O-N 3.5Å; Q37-T41 WeakPolarHBondContact O-CB 3.33Å; Q37-T41 WeakPolarHBondContact O-CG2 3.31Å; Q37-T41 PolarHBondContact O-N 3.36Å; Q37-T41 PolarHBondContact O-OG1 2.97Å
38I68.4Low64Low95 Ų9592 Ų9249%0.48749%0.492SS..Hα-helixtrans-66.2-43.6174.7-67.8166.5000110.5L34 Q35 T41 T42L34-I38 HydrophobicContact CD2-CD1 3.61Å; L34-I38 HydrophobicContact CD2-CG1 4.17Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.27Å; L34-I38 PolarHBondContact O-N 2.91Å; Q35-I38 PolarHBondContact O-N 2.93Å; I38-T41 WeakPolarHBondContact CA-OG1 3.42Å; I38-T41 PolarHBondContact O-N 3.49Å; I38-T41 PolarHBondContact O-OG1 2.75Å; I38-T41 VanDerWaalsContact O-OG1 3.09Å; I38-T42 VanDerWaalsContact O-CB 3.26Å; I38-T42 WeakPolarHBondContact O-CB 3.4Å; I38-T42 PolarHBondContact O-N 3.47Å; I38-T42 PolarHBondContact O-OG1 2.95Å
39Y67.4Low64.7Low162 Ų16292.8 Ų92.864%0.63549%0.493SS*.Hα-helixtrans-62.2-47.4177.8-175.8-97.3000111.2Q35 I36 T42 Y43Q35-Y39 WeakPolarHBondContact O-CB 3.11Å; Q35-Y39 PolarHBondContact O-N 3.42Å; I36-Y39 PolarHBondContact O-N 3.34Å; Y39-T42 PolarHBondContact O-N 2.9Å; Y39-Y43 WeakPolarHBondContact O-CB 3.21Å; Y39-Y43 PolarHBondContact O-N 3.43Å
40A67.3Low65.2Low37 Ų3795.3 Ų95.331%0.30650%0.501SS..Hα-helixtrans-61.5-47.6178.700000111.8I36 I44I36-A40 VanDerWaalsContact O-CB 3.27Å; I36-A40 WeakPolarHBondContact O-CB 3.38Å; I36-A40 PolarHBondContact O-N 2.73Å; A40-I44 HydrophobicContact CB-CD1 4.44Å; A40-I44 WeakPolarHBondContact O-CB 3.26Å; A40-I44 WeakPolarHBondContact O-CD1 3.18Å; A40-I44 WeakPolarHBondContact O-CG1 2.92Å; A40-I44 PolarHBondContact O-N 3.46Å
41T69.6Low65.5Low79 Ų7993.7 Ų93.749%0.48549%0.49SS..Hα-helixtrans-66.6-41.7-179.948.60000112.2Q37 I38 S45Q37-T41 WeakPolarHBondContact O-CB 3.33Å; Q37-T41 WeakPolarHBondContact O-CG2 3.31Å; Q37-T41 PolarHBondContact O-N 3.36Å; Q37-T41 PolarHBondContact O-OG1 2.97Å; I38-T41 WeakPolarHBondContact CA-OG1 3.42Å; I38-T41 PolarHBondContact O-N 3.49Å; I38-T41 PolarHBondContact O-OG1 2.75Å; I38-T41 VanDerWaalsContact O-OG1 3.09Å; T41-S45 VanDerWaalsContact O-CB 3.26Å; T41-S45 WeakPolarHBondContact O-CB 3.38Å; T41-S45 PolarHBondContact O-N 3.09Å; T41-S45 PolarHBondContact O-OG 2.88Å
42T67.8Low66.1Low69 Ų6994.4 Ų94.442%0.42349%0.494SS..Hα-helixtrans-65.9-47.5177.5-52.80000110.5I38 Y39 S45 T46I38-T42 VanDerWaalsContact O-CB 3.26Å; I38-T42 WeakPolarHBondContact O-CB 3.4Å; I38-T42 PolarHBondContact O-N 3.47Å; I38-T42 PolarHBondContact O-OG1 2.95Å; Y39-T42 PolarHBondContact O-N 2.9Å; T42-S45 PolarHBondContact O-N 2.65Å; T42-S45 PolarHBondContact O-OG 2.85Å; T42-T46 HydrophobicContact CG2-CG2 4.14Å; T42-T46 VanDerWaalsContact O-CB 3.31Å; T42-T46 WeakPolarHBondContact O-CB 3.18Å; T42-T46 WeakPolarHBondContact O-CG2 3.26Å; T42-T46 PolarHBondContact O-N 2.74Å; T42-T46 PolarHBondContact O-OG1 3.06Å
43Y65.2Low66.8Low110 Ų11094.8 Ų94.843%0.43150%0.499SS..Hα-helixtrans-64.6-48.2-179.6-170.2-96.9000111.6Y39 S45 F47Y39-Y43 WeakPolarHBondContact O-CB 3.21Å; Y39-Y43 PolarHBondContact O-N 3.43Å; Y43-S45 VanDerWaalsContact C-N 3.32Å; Y43-S45 PolarHBondContact O-N 2.96Å; Y43-F47 HydrophobicContact CD2-CD2 4.07Å; Y43-F47 AromaticContact CE2-CD2 3.54Å; Y43-F47 HydrophobicContact CE2-CD2 3.54Å; Y43-F47 AromaticContact CE2-CE2 3.8Å; Y43-F47 HydrophobicContact CE2-CE2 3.8Å; Y43-F47 HydrophobicContact CE2-CG 4.1Å; Y43-F47 AromaticContact CZ-CD2 3.96Å; Y43-F47 WeakPolarHBondContact O-CB 3.44Å; Y43-F47 PolarHBondContact O-N 2.81Å; Y43-F47 VanDerWaalsContact O-N 3.1Å
44I62.3Low67.1Low121 Ų12193.1 Ų93.162%0.62149%0.492SS*.Hα-helixtrans-66.4-33.4-178.6-65.3167.2000111.8A40 P48A40-I44 HydrophobicContact CB-CD1 4.44Å; A40-I44 WeakPolarHBondContact O-CB 3.26Å; A40-I44 WeakPolarHBondContact O-CD1 3.18Å; A40-I44 WeakPolarHBondContact O-CG1 2.92Å; A40-I44 PolarHBondContact O-N 3.46Å; I44-P48 WeakPolarHBondContact O-CD 3.1Å; I44-P48 WeakPolarHBondContact O-CG 2.99Å
45S65.4Low67.5Low64 Ų6490.4 Ų90.445%0.44848%0.48SS..Hα-helixtrans-83.5-44.3-179.859.40000113T41 T42 Y43 C49T41-S45 VanDerWaalsContact O-CB 3.26Å; T41-S45 WeakPolarHBondContact O-CB 3.38Å; T41-S45 PolarHBondContact O-N 3.09Å; T41-S45 PolarHBondContact O-OG 2.88Å; T42-S45 PolarHBondContact O-N 2.65Å; T42-S45 PolarHBondContact O-OG 2.85Å; Y43-S45 VanDerWaalsContact C-N 3.32Å; Y43-S45 PolarHBondContact O-N 2.96Å; S45-C49 PolarHBondContact O-SG 3.37Å
46T64.2Low67.9Low60 Ų6089.4 Ų89.437%0.36848%0.479SS..Hα-helixtrans-80.9-38-17260.10000112.7T42 C49 I50T42-T46 HydrophobicContact CG2-CG2 4.14Å; T42-T46 VanDerWaalsContact O-CB 3.31Å; T42-T46 WeakPolarHBondContact O-CB 3.18Å; T42-T46 WeakPolarHBondContact O-CG2 3.26Å; T42-T46 PolarHBondContact O-N 2.74Å; T42-T46 PolarHBondContact O-OG1 3.06Å; T46-C49 PolarHBondContact O-N 3.1Å; T46-I50 WeakPolarHBondContact O-CG1 3.41Å; T46-I50 PolarHBondContact O-N 3.48Å
47F61.9Low68.5Low115 Ų11588 Ų8850%0.50448%0.475SS..Hα-helixtrans-64.4-46-173.9-142.7-92.1000112.6Y43 C49 H51Y43-F47 HydrophobicContact CD2-CD2 4.07Å; Y43-F47 AromaticContact CE2-CD2 3.54Å; Y43-F47 HydrophobicContact CE2-CD2 3.54Å; Y43-F47 AromaticContact CE2-CE2 3.8Å; Y43-F47 HydrophobicContact CE2-CE2 3.8Å; Y43-F47 HydrophobicContact CE2-CG 4.1Å; Y43-F47 AromaticContact CZ-CD2 3.96Å; Y43-F47 WeakPolarHBondContact O-CB 3.44Å; Y43-F47 PolarHBondContact O-N 2.81Å; Y43-F47 VanDerWaalsContact O-N 3.1Å; F47-C49 VanDerWaalsContact C-N 3.34Å; F47-C49 PolarHBondContact O-N 2.88Å; F47-H51 VanDerWaalsContact O-CB 3.28Å; F47-H51 WeakPolarHBondContact O-CB 3.38Å; F47-H51 PolarHBondContact O-N 3.01Å; F47-H51 VanDerWaalsContact O-N 3.11Å
48P61.7Low68.9Low61 Ų6187 Ų8740%0.39647%0.473SS..Hα-helixtrans-65-38175.4-20.233.5000112.3I44 H51 L52I44-P48 WeakPolarHBondContact O-CD 3.1Å; I44-P48 WeakPolarHBondContact O-CG 2.99Å; P48-H51 PolarHBondContact O-N 2.91Å; P48-L52 WeakPolarHBondContact O-CB 3.31Å; P48-L52 WeakPolarHBondContact O-CD1 3.4Å; P48-L52 WeakPolarHBondContact O-CG 3.37Å; P48-L52 PolarHBondContact O-N 3.27Å
49C68Low69.2Low84 Ų8483.6 Ų83.657%0.56846%0.457SS*.Hα-helixtrans-67.7-45.7-177.6-68.80000112.1S45 T46 F47 H51 S53S45-C49 PolarHBondContact O-SG 3.37Å; T46-C49 PolarHBondContact O-N 3.1Å; F47-C49 VanDerWaalsContact C-N 3.34Å; F47-C49 PolarHBondContact O-N 2.88Å; C49-H51 VanDerWaalsContact C-N 3.3Å; C49-H51 PolarHBondContact O-N 3.29Å; C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.13Å; C49-S53 PolarHBondContact O-N 2.59Å
50I67.8Low69.4Low108 Ų10879.3 Ų79.355%0.55445%0.451SS*.Hα-helixtrans-62.2-44.1176.4-65.5167.6000109.2T46 S53 T54T46-I50 WeakPolarHBondContact O-CG1 3.41Å; T46-I50 PolarHBondContact O-N 3.48Å; I50-S53 PolarHBondContact O-N 3.5Å; I50-T54 HydrophobicContact CG2-CG2 4.38Å; I50-T54 WeakPolarHBondContact O-CG2 3.28Å; I50-T54 PolarHBondContact O-N 3.38Å; I50-T54 PolarHBondContact O-OG1 3.4Å; I50-T54 VanDerWaalsContact O-OG1 3.06Å
51H64.8Low69.5Low68 Ų6883.4 Ų83.432%0.31547%0.467SS..Hα-helixtrans-65-43.7-179-164.8-86.9000113.1F47 P48 C49 T54 T55 F88F47-H51 VanDerWaalsContact O-CB 3.28Å; F47-H51 WeakPolarHBondContact O-CB 3.38Å; F47-H51 PolarHBondContact O-N 3.01Å; F47-H51 VanDerWaalsContact O-N 3.11Å; P48-H51 PolarHBondContact O-N 2.91Å; C49-H51 VanDerWaalsContact C-N 3.3Å; C49-H51 PolarHBondContact O-N 3.29Å; H51-T54 PolarHBondContact O-OG1 3.11Å; H51-T54 VanDerWaalsContact O-OG1 3.1Å; H51-T55 VanDerWaalsContact O-CB 3.3Å; H51-T55 WeakPolarHBondContact O-CB 3.41Å; H51-T55 PolarHBondContact O-N 3.33Å; H51-T55 PolarHBondContact O-OG1 2.86Å; H51-F88 AromaticContact CE1-CD2 3.56Å; H51-F88 AromaticContact CE1-CE2 3.02Å; H51-F88 WeakPolarHBondContact CE1-CE2 3.09Å; H51-F88 AromaticContact CE1-CZ 3.4Å; H51-F88 VanDerWaalsContact CE1-CZ 3.4Å; H51-F88 WeakPolarHBondContact CE1-CZ 3.44Å; H51-F88 AromaticContact ND1-CE2 3.68Å; H51-F88 AromaticContact ND1-CZ 3.54Å; H51-F88 AromaticContact NE2-CE2 3.31Å; H51-F88 VanDerWaalsContact NE2-CE2 3.31Å; H51-F88 WeakPolarHBondContact NE2-CE2 3.44Å; H51-F88 AromaticContact NE2-CZ 3.78Å
52L70.4Confident69.4Low107 Ų10784.1 Ų84.156%0.5646%0.464SS*.Hα-helixtrans-63.3-44.2175.5-84154.8000111.3P48 T55 L56P48-L52 WeakPolarHBondContact O-CB 3.31Å; P48-L52 WeakPolarHBondContact O-CD1 3.4Å; P48-L52 WeakPolarHBondContact O-CG 3.37Å; P48-L52 PolarHBondContact O-N 3.27Å; L52-T55 PolarHBondContact O-N 3.37Å; L52-L56 WeakPolarHBondContact O-CB 3.09Å; L52-L56 VanDerWaalsContact O-CG 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 3.49Å
53S73.5Confident69.4Low68 Ų6883.1 Ų83.148%0.47646%0.463SS..Hα-helixtrans-64.4-46.5-179.3-174.20000112.3C49 I50 L56 T57C49-S53 VanDerWaalsContact O-CB 3.28Å; C49-S53 WeakPolarHBondContact O-CB 3.13Å; C49-S53 PolarHBondContact O-N 2.59Å; I50-S53 PolarHBondContact O-N 3.5Å; S53-L56 PolarHBondContact O-N 2.99Å; S53-T57 WeakPolarHBondContact O-CB 3.31Å; S53-T57 WeakPolarHBondContact O-CG2 3.02Å; S53-T57 PolarHBondContact O-N 2.87Å; S53-T57 PolarHBondContact O-OG1 3.35Å
54T73.7Confident69.5Low64 Ų6485.3 Ų85.339%0.39348%0.475SS..Hα-helixtrans-65.2-41.1177.354.90000111.4I50 H51 T57 I58I50-T54 HydrophobicContact CG2-CG2 4.38Å; I50-T54 WeakPolarHBondContact O-CG2 3.28Å; I50-T54 PolarHBondContact O-N 3.38Å; I50-T54 PolarHBondContact O-OG1 3.4Å; I50-T54 VanDerWaalsContact O-OG1 3.06Å; H51-T54 PolarHBondContact O-OG1 3.11Å; H51-T54 VanDerWaalsContact O-OG1 3.1Å; T54-T57 WeakPolarHBondContact CA-OG1 3.36Å; T54-T57 PolarHBondContact O-N 3.34Å; T54-T57 PolarHBondContact O-OG1 3.4Å; T54-I58 WeakPolarHBondContact O-CB 3.28Å; T54-I58 WeakPolarHBondContact O-CD1 3.38Å; T54-I58 WeakPolarHBondContact O-CG1 3.33Å; T54-I58 PolarHBondContact O-N 3.46Å
55T75.7Confident69.5Low46 Ų4682.5 Ų82.528%0.28247%0.469SS..Hα-helixtrans-63.9-45.5178.3-54.20000111.3H51 L52 S59H51-T55 VanDerWaalsContact O-CB 3.3Å; H51-T55 WeakPolarHBondContact O-CB 3.41Å; H51-T55 PolarHBondContact O-N 3.33Å; H51-T55 PolarHBondContact O-OG1 2.86Å; L52-T55 PolarHBondContact O-N 3.37Å; T55-S59 WeakPolarHBondContact O-CB 3.49Å; T55-S59 PolarHBondContact O-N 2.98Å; T55-S59 PolarHBondContact O-OG 3.42Å
56L76.4Confident69.2Low116 Ų11680 Ų8061%0.60745%0.451SS*.Hα-helixtrans-66.4-41.3179.3-74.6171.1000112.5L52 S53 S59 S60L52-L56 WeakPolarHBondContact O-CB 3.09Å; L52-L56 VanDerWaalsContact O-CG 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 3.49Å; S53-L56 PolarHBondContact O-N 2.99Å; L56-S59 PolarHBondContact O-N 3.26Å; L56-S60 WeakPolarHBondContact O-CB 3.26Å; L56-S60 PolarHBondContact O-N 3.25Å; L56-S60 PolarHBondContact O-OG 2.98Å
57T77.5Confident69.1Low79 Ų7982.8 Ų82.849%0.48547%0.468SS..Hα-helixtrans-67.4-40.3179.246.40000112.4S53 T54 S59 S60 L61S53-T57 WeakPolarHBondContact O-CB 3.31Å; S53-T57 WeakPolarHBondContact O-CG2 3.02Å; S53-T57 PolarHBondContact O-N 2.87Å; S53-T57 PolarHBondContact O-OG1 3.35Å; T54-T57 WeakPolarHBondContact CA-OG1 3.36Å; T54-T57 PolarHBondContact O-N 3.34Å; T54-T57 PolarHBondContact O-OG1 3.4Å; T57-S59 VanDerWaalsContact C-N 3.34Å; T57-S60 PolarHBondContact O-N 3Å; T57-S60 PolarHBondContact O-OG 3.11Å; T57-L61 WeakPolarHBondContact O-CB 3.33Å; T57-L61 PolarHBondContact O-N 3.48Å
58I77.5Confident69.2Low113 Ų11386.9 Ų86.958%0.57949%0.486SS*.Hα-helixtrans-65.7-41.8174.4-64.8164.7000110.3T54 S60 L61 F62T54-I58 WeakPolarHBondContact O-CB 3.28Å; T54-I58 WeakPolarHBondContact O-CD1 3.38Å; T54-I58 WeakPolarHBondContact O-CG1 3.33Å; T54-I58 PolarHBondContact O-N 3.46Å; I58-S60 PolarHBondContact O-N 2.86Å; I58-L61 PolarHBondContact O-N 2.94Å; I58-F62 WeakPolarHBondContact O-CB 3.35Å; I58-F62 PolarHBondContact O-N 2.94Å
59S75.5Confident69.1Low24 Ų2486 Ų8617%0.16848%0.481CS..Hα-helixtrans-62.3-43.3177.8-56.80000112T55 L56 T57 A63 L81T55-S59 WeakPolarHBondContact O-CB 3.49Å; T55-S59 PolarHBondContact O-N 2.98Å; T55-S59 PolarHBondContact O-OG 3.42Å; L56-S59 PolarHBondContact O-N 3.26Å; T57-S59 VanDerWaalsContact C-N 3.34Å; S59-A63 VanDerWaalsContact O-CB 3.29Å; S59-A63 WeakPolarHBondContact O-CB 3.3Å; S59-A63 PolarHBondContact O-N 2.98Å; S59-L81 WeakPolarHBondContact OG-CD2 3.36Å
60S72Confident69.1Low73 Ų7388.4 Ų88.451%0.5149%0.488SS..Hα-helixtrans-70.4-39.8179.370.60000112.2L56 T57 I58 F62 A63 F64L56-S60 WeakPolarHBondContact O-CB 3.26Å; L56-S60 PolarHBondContact O-N 3.25Å; L56-S60 PolarHBondContact O-OG 2.98Å; T57-S60 PolarHBondContact O-N 3Å; T57-S60 PolarHBondContact O-OG 3.11Å; I58-S60 PolarHBondContact O-N 2.86Å; S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 3.46Å; S60-A63 PolarHBondContact O-N 3.1Å; S60-F64 WeakPolarHBondContact O-CB 3.34Å; S60-F64 PolarHBondContact O-N 2.91Å
61L68.6Low69.4Low123 Ų12389.6 Ų89.664%0.64450%0.495SS*.Hα-helixtrans-60.8-44.6175.7-177.568.5000111.1T57 I58 F64 A65T57-L61 WeakPolarHBondContact O-CB 3.33Å; T57-L61 PolarHBondContact O-N 3.48Å; I58-L61 PolarHBondContact O-N 2.94Å; L61-F64 PolarHBondContact O-N 3.42Å; L61-A65 PolarHBondContact O-N 3.39Å
62F68.3Low69.9Low93 Ų9393 Ų9341%0.40851%0.511SS..Hα-helixtrans-70.8-39.7178.5-163-69.8000111.4I58 S60 F64 A65 N66 H77I58-F62 WeakPolarHBondContact O-CB 3.35Å; I58-F62 PolarHBondContact O-N 2.94Å; S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 3.46Å; F62-F64 VanDerWaalsContact C-N 3.3Å; F62-F64 PolarHBondContact O-N 3.04Å; F62-A65 PolarHBondContact O-N 2.69Å; F62-N66 VanDerWaalsContact CD1-CG 3.45Å; F62-N66 WeakPolarHBondContact CD1-ND2 3.13Å; F62-N66 WeakPolarHBondContact CD1-OD1 3.34Å; F62-N66 VanDerWaalsContact CE1-CG 3.42Å; F62-N66 WeakPolarHBondContact CE1-ND2 3.41Å; F62-N66 WeakPolarHBondContact CE1-OD1 3.42Å; F62-N66 WeakPolarHBondContact O-CB 3.39Å; F62-N66 PolarHBondContact O-N 3.02Å; F62-H77 VanDerWaalsContact CB-CE1 3.44Å; F62-H77 WeakPolarHBondContact CB-CE1 2.98Å; F62-H77 VanDerWaalsContact CB-NE2 3.33Å; F62-H77 WeakPolarHBondContact CB-NE2 2.91Å; F62-H77 HydrophobicContact CD1-CB 4.13Å; F62-H77 AromaticContact CD1-CD2 3.36Å; F62-H77 WeakPolarHBondContact CD1-CD2 3.35Å; F62-H77 AromaticContact CD1-CE1 2.88Å; F62-H77 WeakPolarHBondContact CD1-CE1 3.41Å; F62-H77 AromaticContact CD1-CG 3.19Å; F62-H77 AromaticContact CD1-ND1 2.91Å; F62-H77 WeakPolarHBondContact CD1-ND1 3.29Å; F62-H77 AromaticContact CD1-NE2 3.16Å; F62-H77 WeakPolarHBondContact CD1-NE2 3.16Å; F62-H77 AromaticContact CD2-CE1 3.56Å; F62-H77 HydrophobicContact CE1-CB 3.82Å; F62-H77 AromaticContact CE1-CD2 3.94Å; F62-H77 AromaticContact CE1-CE1 3.34Å; F62-H77 WeakPolarHBondContact CE1-CE1 2.84Å; F62-H77 AromaticContact CE1-CG 3.26Å; F62-H77 AromaticContact CE1-ND1 2.84Å; F62-H77 WeakPolarHBondContact CE1-ND1 3.34Å; F62-H77 AromaticContact CE1-NE2 3.97Å; F62-H77 AromaticContact CE2-CE1 3.95Å; F62-H77 AromaticContact CE2-ND1 3.96Å; F62-H77 AromaticContact CG-CE1 2.98Å; F62-H77 WeakPolarHBondContact CG-CE1 3.44Å; F62-H77 AromaticContact CG-ND1 3.51Å; F62-H77 AromaticContact CG-NE2 3.34Å; F62-H77 VanDerWaalsContact CG-NE2 3.34Å; F62-H77 WeakPolarHBondContact CG-NE2 3.38Å; F62-H77 AromaticContact CZ-CE1 3.84Å; F62-H77 AromaticContact CZ-ND1 3.41Å; F62-H77 WeakPolarHBondContact CZ-ND1 2.88Å
63A66.8Low70.1Confident48 Ų4890.2 Ų90.240%0.39750%0.498SS..Hα-helixtrans-57.8-42.6171.900000111.8S59 S60 N66 T67S59-A63 VanDerWaalsContact O-CB 3.29Å; S59-A63 WeakPolarHBondContact O-CB 3.3Å; S59-A63 PolarHBondContact O-N 2.98Å; S60-A63 PolarHBondContact O-N 3.1Å; A63-N66 CarbonylContact O-C 3.58Å; A63-N66 WeakPolarHBondContact O-CB 3.4Å; A63-N66 PolarHBondContact O-N 3.06Å; A63-T67 WeakPolarHBondContact O-CG2 3.38Å; A63-T67 PolarHBondContact O-N 3.45Å
64F66.8Low70.2Confident157 Ų15789.5 Ų89.569%0.68949%0.491SS*.Hα-helixtrans-62.2-47.8175179.4-99.3000111.6S60 L61 F62 N66 T67S60-F64 WeakPolarHBondContact O-CB 3.34Å; S60-F64 PolarHBondContact O-N 2.91Å; L61-F64 PolarHBondContact O-N 3.42Å; F62-F64 VanDerWaalsContact C-N 3.3Å; F62-F64 PolarHBondContact O-N 3.04Å; F64-N66 PolarHBondContact O-N 2.75Å; F64-T67 PolarHBondContact O-N 3.36Å; F64-T67 VanDerWaalsContact O-N 3.16Å; F64-T67 PolarHBondContact O-OG1 2.96Å
65A62.4Low70.4Confident61 Ų6190.3 Ų90.350%0.50450%0.496SS..Hα-helixtrans-59.6-32.5175.100000112.2L61 F62L61-A65 PolarHBondContact O-N 3.39Å; F62-A65 PolarHBondContact O-N 2.69Å
66N60.6Low70.7Confident12 Ų1291.8 Ų91.86%0.06451%0.505CS..Hα-helixtrans-77.7-22.3178-76.9-10.9000115.2F62 A63 F64 K68 S69 T74 H77F62-N66 VanDerWaalsContact CD1-CG 3.45Å; F62-N66 WeakPolarHBondContact CD1-ND2 3.13Å; F62-N66 WeakPolarHBondContact CD1-OD1 3.34Å; F62-N66 VanDerWaalsContact CE1-CG 3.42Å; F62-N66 WeakPolarHBondContact CE1-ND2 3.41Å; F62-N66 WeakPolarHBondContact CE1-OD1 3.42Å; F62-N66 WeakPolarHBondContact O-CB 3.39Å; F62-N66 PolarHBondContact O-N 3.02Å; A63-N66 CarbonylContact O-C 3.58Å; A63-N66 WeakPolarHBondContact O-CB 3.4Å; A63-N66 PolarHBondContact O-N 3.06Å; F64-N66 PolarHBondContact O-N 2.75Å; N66-K68 PolarHBondContact O-N 2.96Å; N66-S69 WeakPolarHBondContact CA-OG 3.4Å; N66-S69 PolarHBondContact O-N 3.34Å; N66-S69 PolarHBondContact OD1-OG 3.02Å; N66-T74 HydrophobicContact CB-CG2 4.34Å; N66-H77 VanDerWaalsContact ND2-CB 3.32Å; N66-H77 WeakPolarHBondContact ND2-CB 3.47Å
67T61.2Low70.7Confident119 Ų11987 Ų8773%0.7348%0.479SS*.THydrogen-bonded Turntrans-58-19.6174.659.20000112.1A63 F64A63-T67 WeakPolarHBondContact O-CG2 3.38Å; A63-T67 PolarHBondContact O-N 3.45Å; F64-T67 PolarHBondContact O-N 3.36Å; F64-T67 VanDerWaalsContact O-N 3.16Å; F64-T67 PolarHBondContact O-OG1 2.96Å
68K64.8Low70.9Confident200 Ų20089 Ų8987%0.8749%0.486SS*.THydrogen-bonded Turntrans-89.5-17.8173.6-166.1170.4-179.9179.90114.2N66N66-K68 PolarHBondContact O-N 2.96Å
69S59.2Low71.3Confident44 Ų4488.7 Ų88.731%0.30849%0.485SS..SBendtrans-112.1145.4-172.266.40000112.8N66 T73N66-S69 WeakPolarHBondContact CA-OG 3.4Å; N66-S69 PolarHBondContact O-N 3.34Å; N66-S69 PolarHBondContact OD1-OG 3.02Å; S69-T73 VanDerWaalsContact C-OG1 3.29Å; S69-T73 WeakPolarHBondContact CB-OG1 3.2Å; S69-T73 PolarHBondContact O-OG1 3.31Å; S69-T73 WeakPolarHBondContact OG-CB 3.29Å; S69-T73 PolarHBondContact OG-OG1 2.91Å
70N67.4Low71.7Confident134 Ų13492 Ų9272%0.71750%0.5SS*.  trans-49.6156-167.4-147.5-28.9000114.2H72 T73N70-H72 PolarHBondContact O-N 3.46Å; N70-T73 PolarHBondContact O-N 3.47Å; N70-T73 PolarHBondContact O-OG1 3.26Å
71L74Confident72.3Confident132 Ų13291.5 Ų91.569%0.69149%0.492SS*.Hα-helixtrans-47.5-26.7-176.8-176.2138.8000115T74 V75L71-T74 PolarHBondContact O-OG1 3.19Å; L71-V75 HydrophobicContact CD2-CG2 4.37Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3.02Å
72H75.9Confident73.1Confident141 Ų14191 Ų9165%0.65349%0.489SS*.Hα-helixtrans-63.9-40.8173.6-170.4-100000113.5N70 V75 V76N70-H72 PolarHBondContact O-N 3.46Å; H72-V75 PolarHBondContact O-N 3.37Å; H72-V76 WeakPolarHBondContact O-CG2 3.33Å; H72-V76 PolarHBondContact O-N 2.65Å; H72-V76 VanDerWaalsContact O-N 3.08Å
73T73.9Confident74Confident47 Ų4791.4 Ų91.429%0.28850%0.495SS..Hα-helixtrans-68.9-35.8-179.756.40000111.5S69 N70 H77S69-T73 VanDerWaalsContact C-OG1 3.29Å; S69-T73 WeakPolarHBondContact CB-OG1 3.2Å; S69-T73 PolarHBondContact O-OG1 3.31Å; S69-T73 WeakPolarHBondContact OG-CB 3.29Å; S69-T73 PolarHBondContact OG-OG1 2.91Å; N70-T73 PolarHBondContact O-N 3.47Å; N70-T73 PolarHBondContact O-OG1 3.26Å; T73-H77 VanDerWaalsContact O-CB 3.29Å; T73-H77 WeakPolarHBondContact O-CB 3.33Å; T73-H77 PolarHBondContact O-N 2.89Å
74T75.7Confident74.8Confident53 Ų5392.4 Ų92.433%0.32550%0.496SS..Hα-helixtrans-65.6-41176.558.40000111.6N66 L71 H77 L78N66-T74 HydrophobicContact CB-CG2 4.34Å; L71-T74 PolarHBondContact O-OG1 3.19Å; T74-H77 PolarHBondContact O-N 3Å; T74-L78 WeakPolarHBondContact O-CG 3.34Å; T74-L78 PolarHBondContact O-N 3.35Å
75V79Confident75.6Confident81 Ų8192.3 Ų92.349%0.49149%0.492SS..Hα-helixtrans-64-48.9176.1173.80000111.6L71 H72 H77 L78 L79L71-V75 HydrophobicContact CD2-CG2 4.37Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3.02Å; H72-V75 PolarHBondContact O-N 3.37Å; V75-H77 PolarHBondContact O-N 2.97Å; V75-L78 PolarHBondContact O-N 3.03Å; V75-L79 PolarHBondContact O-N 2.99Å
76V80.5Confident76.7Confident78 Ų7896.2 Ų96.247%0.47350%0.495SS..Hα-helixtrans-58.1-37.8176.8172.70000110.5H72 L79 L80H72-V76 WeakPolarHBondContact O-CG2 3.33Å; H72-V76 PolarHBondContact O-N 2.65Å; H72-V76 VanDerWaalsContact O-N 3.08Å; V76-L79 PolarHBondContact O-N 3.04Å; V76-L80 PolarHBondContact O-N 3.38Å
77H77Confident77.7Confident16 Ų16101.5 Ų101.57%0.07452%0.519CS..Hα-helixtrans-72.4-42.9-179.5-154.557.7000113.8F62 N66 T73 T74 V75 L79 L80 L81F62-H77 VanDerWaalsContact CB-CE1 3.44Å; F62-H77 WeakPolarHBondContact CB-CE1 2.98Å; F62-H77 VanDerWaalsContact CB-NE2 3.33Å; F62-H77 WeakPolarHBondContact CB-NE2 2.91Å; F62-H77 HydrophobicContact CD1-CB 4.13Å; F62-H77 AromaticContact CD1-CD2 3.36Å; F62-H77 WeakPolarHBondContact CD1-CD2 3.35Å; F62-H77 AromaticContact CD1-CE1 2.88Å; F62-H77 WeakPolarHBondContact CD1-CE1 3.41Å; F62-H77 AromaticContact CD1-CG 3.19Å; F62-H77 AromaticContact CD1-ND1 2.91Å; F62-H77 WeakPolarHBondContact CD1-ND1 3.29Å; F62-H77 AromaticContact CD1-NE2 3.16Å; F62-H77 WeakPolarHBondContact CD1-NE2 3.16Å; F62-H77 AromaticContact CD2-CE1 3.56Å; F62-H77 HydrophobicContact CE1-CB 3.82Å; F62-H77 AromaticContact CE1-CD2 3.94Å; F62-H77 AromaticContact CE1-CE1 3.34Å; F62-H77 WeakPolarHBondContact CE1-CE1 2.84Å; F62-H77 AromaticContact CE1-CG 3.26Å; F62-H77 AromaticContact CE1-ND1 2.84Å; F62-H77 WeakPolarHBondContact CE1-ND1 3.34Å; F62-H77 AromaticContact CE1-NE2 3.97Å; F62-H77 AromaticContact CE2-CE1 3.95Å; F62-H77 AromaticContact CE2-ND1 3.96Å; F62-H77 AromaticContact CG-CE1 2.98Å; F62-H77 WeakPolarHBondContact CG-CE1 3.44Å; F62-H77 AromaticContact CG-ND1 3.51Å; F62-H77 AromaticContact CG-NE2 3.34Å; F62-H77 VanDerWaalsContact CG-NE2 3.34Å; F62-H77 WeakPolarHBondContact CG-NE2 3.38Å; F62-H77 AromaticContact CZ-CE1 3.84Å; F62-H77 AromaticContact CZ-ND1 3.41Å; F62-H77 WeakPolarHBondContact CZ-ND1 2.88Å; N66-H77 VanDerWaalsContact ND2-CB 3.32Å; N66-H77 WeakPolarHBondContact ND2-CB 3.47Å; T73-H77 VanDerWaalsContact O-CB 3.29Å; T73-H77 WeakPolarHBondContact O-CB 3.33Å; T73-H77 PolarHBondContact O-N 2.89Å; T74-H77 PolarHBondContact O-N 3Å; V75-H77 PolarHBondContact O-N 2.97Å; H77-L79 PolarHBondContact O-N 3.47Å; H77-L80 PolarHBondContact O-N 2.87Å; H77-L81 WeakPolarHBondContact O-CG 3.33Å; H77-L81 PolarHBondContact O-N 2.97Å
78L81.3Confident78.4Confident119 Ų119102.1 Ų102.162%0.62351%0.512SS*.Hα-helixtrans-57.8-40.7172.8-76.8167.5000111.2T74 V75 L81 L82T74-L78 WeakPolarHBondContact O-CG 3.34Å; T74-L78 PolarHBondContact O-N 3.35Å; V75-L78 PolarHBondContact O-N 3.03Å; L78-L81 PolarHBondContact O-N 2.99Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 PolarHBondContact O-N 3.3Å
79L86.1Confident78.8Confident107 Ų10799.5 Ų99.556%0.5650%0.502SS*.Hα-helixtrans-65.2-41.8176.9-169.270.2000112.2V75 V76 H77 L82 L83V75-L79 PolarHBondContact O-N 2.99Å; V76-L79 PolarHBondContact O-N 3.04Å; H77-L79 PolarHBondContact O-N 3.47Å; L79-L82 PolarHBondContact O-N 3.48Å; L79-L83 PolarHBondContact O-N 3.29Å
80L85.4Confident79.5Confident93 Ų93103.2 Ų103.249%0.48751%0.514SS..Hα-helixtrans-63.5-44.1177.3-170.472.1000111.6V76 H77 L82 L83 V84V76-L80 PolarHBondContact O-N 3.38Å; H77-L80 PolarHBondContact O-N 2.87Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.08Å; L80-L83 PolarHBondContact O-N 2.85Å; L80-V84 WeakPolarHBondContact O-CG2 3.08Å; L80-V84 PolarHBondContact O-N 3.34Å
81L83.7Confident78.9Confident63 Ų63101.2 Ų101.233%0.3350%0.504SS..Hα-helixtrans-61-42.2176.1-69.9174.4000111.6S59 H77 L78 V84 Y85S59-L81 WeakPolarHBondContact OG-CD2 3.36Å; H77-L81 WeakPolarHBondContact O-CG 3.33Å; H77-L81 PolarHBondContact O-N 2.97Å; L78-L81 PolarHBondContact O-N 2.99Å; L81-V84 PolarHBondContact O-N 2.84Å; L81-Y85 WeakPolarHBondContact O-CB 3.33Å; L81-Y85 PolarHBondContact O-N 3.39Å
82L85.8Confident78Confident113 Ų11399.9 Ų99.959%0.59250%0.503SS*.Hα-helixtrans-61.8-42.9176-16589.7000111.7L78 L79 L80 Y85 Y86L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 PolarHBondContact O-N 3.3Å; L79-L82 PolarHBondContact O-N 3.48Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.08Å; L82-Y85 PolarHBondContact O-N 3.42Å; L82-Y86 WeakPolarHBondContact O-CB 3.42Å; L82-Y86 PolarHBondContact O-N 3.47Å
83L87.1Confident77.2Confident102 Ų10299.3 Ų99.353%0.53451%0.509SS..Hα-helixtrans-63.3-45177.7-81.6167.8000112.1L79 L80 Y85 Y86 H87L79-L83 PolarHBondContact O-N 3.29Å; L80-L83 PolarHBondContact O-N 2.85Å; L83-Y85 VanDerWaalsContact C-N 3.35Å; L83-Y86 PolarHBondContact O-N 3.45Å; L83-H87 WeakPolarHBondContact O-CB 3.08Å; L83-H87 PolarHBondContact O-N 3Å
84V84Confident76.2Confident68 Ų68102.1 Ų102.141%0.41253%0.531SS..Hα-helixtrans-62.5-44.9176.8172.90000110.4L80 L81 Y86 H87 F88L80-V84 WeakPolarHBondContact O-CG2 3.08Å; L80-V84 PolarHBondContact O-N 3.34Å; L81-V84 PolarHBondContact O-N 2.84Å; V84-Y86 PolarHBondContact O-N 3.5Å; V84-H87 PolarHBondContact O-N 3.18Å; V84-F88 PolarHBondContact O-N 2.81Å
85Y83.7Confident74.9Confident155 Ų155104.8 Ų104.861%0.60855%0.547SS*.Hα-helixtrans-59.3-47.3176.2177-97.7000111.9L81 L82 L83 H87 F88 H89L81-Y85 WeakPolarHBondContact O-CB 3.33Å; L81-Y85 PolarHBondContact O-N 3.39Å; L82-Y85 PolarHBondContact O-N 3.42Å; L83-Y85 VanDerWaalsContact C-N 3.35Å; Y85-H87 PolarHBondContact O-N 2.94Å; Y85-F88 PolarHBondContact O-N 3.24Å; Y85-H89 WeakPolarHBondContact O-CB 3.48Å; Y85-H89 PolarHBondContact O-N 3Å
86Y84.8Confident73.6Confident144 Ų144106.9 Ų106.957%0.56556%0.563SS**Hα-helixtrans-62.7-44.4178.2-175.3-95.5000111.7L82 L83 V84 F88 H89 H90L82-Y86 WeakPolarHBondContact O-CB 3.42Å; L82-Y86 PolarHBondContact O-N 3.47Å; L83-Y86 PolarHBondContact O-N 3.45Å; V84-Y86 PolarHBondContact O-N 3.5Å; Y86-F88 VanDerWaalsContact C-N 3.31Å; Y86-F88 PolarHBondContact O-N 3.38Å; Y86-H89 PolarHBondContact O-N 2.84Å; Y86-H90 HydrophobicContact CD1-CB 4.39Å; Y86-H90 HydrophobicContact CE1-CB 4.08Å; Y86-H90 HydrophobicContact CE2-CB 4.36Å; Y86-H90 AromaticContact CZ-CG 3.92Å; Y86-H90 WeakPolarHBondContact O-CB 3.42Å; Y86-H90 PolarHBondContact O-N 2.78Å
87H80.3Confident72.1Confident122 Ų122108.6 Ų108.657%0.56557%0.573SS**Hα-helixtrans-61.3-42.1178.9-164.262.1000111.2L83 V84 Y85 N91L83-H87 WeakPolarHBondContact O-CB 3.08Å; L83-H87 PolarHBondContact O-N 3Å; V84-H87 PolarHBondContact O-N 3.18Å; Y85-H87 PolarHBondContact O-N 2.94Å; H87-N91 PolarHBondContact CE1-ND2 2.8Å; H87-N91 VanDerWaalsContact CE1-ND2 3.27Å; H87-N91 PolarHBondContact NE2-ND2 3.46Å; H87-N91 WeakPolarHBondContact O-CB 3.35Å; H87-N91 PolarHBondContact O-N 3.25Å
88F76.5Confident70.4Confident132 Ų132113.3 Ų113.358%0.57961%0.608SS**Hα-helixtrans-71.3-38.8-179.6-141.9-91.7000112.9H51 V84 Y85 Y86H51-F88 AromaticContact CE1-CD2 3.56Å; H51-F88 AromaticContact CE1-CE2 3.02Å; H51-F88 WeakPolarHBondContact CE1-CE2 3.09Å; H51-F88 AromaticContact CE1-CZ 3.4Å; H51-F88 VanDerWaalsContact CE1-CZ 3.4Å; H51-F88 WeakPolarHBondContact CE1-CZ 3.44Å; H51-F88 AromaticContact ND1-CE2 3.68Å; H51-F88 AromaticContact ND1-CZ 3.54Å; H51-F88 AromaticContact NE2-CE2 3.31Å; H51-F88 VanDerWaalsContact NE2-CE2 3.31Å; H51-F88 WeakPolarHBondContact NE2-CE2 3.44Å; H51-F88 AromaticContact NE2-CZ 3.78Å; V84-F88 PolarHBondContact O-N 2.81Å; Y85-F88 PolarHBondContact O-N 3.24Å; Y86-F88 VanDerWaalsContact C-N 3.31Å; Y86-F88 PolarHBondContact O-N 3.38Å
89H73.2Confident68.8Low146 Ų146120.5 Ų120.568%0.67663%0.634SS**Hα-helixtrans-80.7-22.1-177.5-153.5-76.7000113.2Y85 Y86Y85-H89 WeakPolarHBondContact O-CB 3.48Å; Y85-H89 PolarHBondContact O-N 3Å; Y86-H89 PolarHBondContact O-N 2.84Å
90H73.9Confident67.9Low121 Ų121121.2 Ų121.256%0.5664%0.637SS**Hα-helixtrans-108.41.2-178.5-159.3-80.3000113.7Y86 P92Y86-H90 HydrophobicContact CD1-CB 4.39Å; Y86-H90 HydrophobicContact CE1-CB 4.08Å; Y86-H90 HydrophobicContact CE2-CB 4.36Å; Y86-H90 AromaticContact CZ-CG 3.92Å; Y86-H90 WeakPolarHBondContact O-CB 3.42Å; Y86-H90 PolarHBondContact O-N 2.78Å; H90-P92 WeakPolarHBondContact O-CD 3.42Å
91N54.5Low67Low93 Ų93122.6 Ų122.650%0.49765%0.645SS.*SBendtrans-99.683.7170.6-145-16.5000107.9H87 V93H87-N91 PolarHBondContact CE1-ND2 2.8Å; H87-N91 VanDerWaalsContact CE1-ND2 3.27Å; H87-N91 PolarHBondContact NE2-ND2 3.46Å; H87-N91 WeakPolarHBondContact O-CB 3.35Å; H87-N91 PolarHBondContact O-N 3.25Å; N91-V93 PolarHBondContact O-N 2.68Å
92P56.8Low66.1Low103 Ų103125.9 Ų125.967%0.66966%0.663SS**  trans-61.3112.9174.927-32.8000106.1H90 S94H90-P92 WeakPolarHBondContact O-CD 3.42Å; P92-S94 VanDerWaalsContact C-N 3.35Å; P92-S94 PolarHBondContact O-N 2.84Å
93V59Low64.9Low129 Ų129126.7 Ų126.778%0.78267%0.667SS**  trans-41.7108.8165.41660000105.8N91 T95N91-V93 PolarHBondContact O-N 2.68Å; V93-T95 PolarHBondContact O-N 2.98Å
94S51.7Low63.5Low107 Ų107128.3 Ų128.375%0.74868%0.675SS**  trans-59.494.9178.549.10000106P92 P96P92-S94 VanDerWaalsContact C-N 3.35Å; P92-S94 PolarHBondContact O-N 2.84Å; S94-P96 WeakPolarHBondContact O-CD 3.46Å
95T49.6Very low62.2Low108 Ų108132.3 Ų132.366%0.66369%0.693SS**  trans-58.2124.916841.90000105.5V93 V97V93-T95 PolarHBondContact O-N 2.98Å; T95-V97 VanDerWaalsContact C-N 3.29Å; T95-V97 PolarHBondContact O-N 3.16Å
96P51.1Low60.6Low126 Ų126130.6 Ų130.682%0.81870%0.699SS**  trans-65100.2173.325.2-30.2000106.5S94 S98S94-P96 WeakPolarHBondContact O-CD 3.46Å; P96-S98 VanDerWaalsContact C-N 3.34Å; P96-S98 PolarHBondContact O-N 3.24Å
97V49.3Very low58.8Low114 Ų114129.6 Ų129.669%0.69171%0.709SS**  trans-64.2102.6169174.30000105.6T95 K99T95-V97 VanDerWaalsContact C-N 3.29Å; T95-V97 PolarHBondContact O-N 3.16Å; V97-K99 HydrophobicContact CG1-CG 4.43Å; V97-K99 PolarHBondContact O-N 2.7Å
98S40Very low57Low115 Ų115130.3 Ų130.380%0.80472%0.721SS**  trans-56.2116.6162610000107.9P96P96-S98 VanDerWaalsContact C-N 3.34Å; P96-S98 PolarHBondContact O-N 3.24Å
99K47.9Very low55.2Low269 Ų269130.1 Ų130.1100%1.1773%0.734SS**  trans-124.20153.1-87.7-174.8176.9177.30107.5V97V97-K99 HydrophobicContact CG1-CG 4.43Å; V97-K99 PolarHBondContact O-N 2.7Å

Retrieved 99 of 99 residues in 188.8 ms (Link to these results)