A0A096MAF2_POEFO Loading...

BTB/POZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MAF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 229 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
1T57.1Low56.3Low195 Ų195145.1 Ų145.1100%1.19679%0.789SS**  0104.50-46.10000107.3
2D53.9Low56.6Low155 Ų155139.8 Ų139.883%0.82978%0.779SS**  trans-158.3104.5161.8-155-102.9000108.2
3L57.9Low57.1Low164 Ų164136.2 Ų136.286%0.85976%0.757SS**  trans-123128.6166.8-83.3169.5000105.8
4P62.2Low59Low104 Ų104130.6 Ų130.668%0.67573%0.732SS**  trans-70.3147.6-177.728.6-32.8000110.4R6P4-R6 PolarHBondContact O-N 3.17Å
5P62.1Low60.8Low120 Ų120127.7 Ų127.778%0.77972%0.721SS**  trans-69.8122.8-174.427.5-32.6000110.5N7P5-N7 PolarHBondContact O-N 3.27Å
6R58.8Low62.6Low222 Ų222128.6 Ų128.684%0.83872%0.717SS**  trans-70.994.3174.8-160.6174-170.8161.81108.9P4 L8P4-R6 PolarHBondContact O-N 3.17Å; R6-L8 HydrophobicContact CG-CG 4.45Å; R6-L8 PolarHBondContact O-N 3.09Å
7N55.2Low64.2Low118 Ų118125.7 Ų125.763%0.63170%0.699SS**  trans-71.190.9177.2-146-69.6000109.6P5 G9P5-N7 PolarHBondContact O-N 3.27Å; N7-G9 VanDerWaalsContact C-N 3.26Å; N7-G9 PolarHBondContact O-N 2.73Å
8L54.4Low65.7Low125 Ų125126.6 Ų126.665%0.65469%0.69SS**THydrogen-bonded Turntrans-83.87.8178.8-86.5158.8000113.6R6R6-L8 HydrophobicContact CG-CG 4.45Å; R6-L8 PolarHBondContact O-N 3.09Å
9G51.8Low67.2Low68 Ų68128.5 Ų128.570%0.70169%0.686SS**THydrogen-bonded Turntrans-97.4-7.3-176.600000115.6N7N7-G9 VanDerWaalsContact C-N 3.26Å; N7-G9 PolarHBondContact O-N 2.73Å
10Q52.1Low68.7Low166 Ų166127.6 Ų127.678%0.77668%0.681SS**  trans-133.544.5-175.4-65.7-165.879.600112.5A12Q10-A12 PolarHBondContact O-N 2.96Å
11Q53.3Low69.9Low159 Ų159125.9 Ų125.974%0.74367%0.669SS**  trans-67.286.8157.8-71.3-166.94600107.2L13Q11-L13 PolarHBondContact O-N 3.24Å
12A59.8Low71.8Confident81 Ų81121.3 Ų121.367%0.66963%0.634SS**  trans-44.2115.2160.300000106.3Q10 S14Q10-A12 PolarHBondContact O-N 2.96Å; A12-S14 PolarHBondContact O-N 2.72Å
13L63.4Low73.8Confident94 Ų94118.8 Ų118.849%0.49262%0.617SS.*  trans-39.1121.5177.4-67.5160.3000107.5Q11 L17Q11-L13 PolarHBondContact O-N 3.24Å; L13-L17 HydrophobicContact CB-CD2 4.3Å; L13-L17 HydrophobicContact CD2-CD2 3.38Å; L13-L17 HydrophobicContact CD2-CG 4.29Å; L13-L17 HydrophobicContact CG-CD2 4.43Å
14S83.8Confident75.7Confident57 Ų57117.3 Ų117.340%0.39961%0.606SS.*  trans-49.5144.2-173.869.40000109.3A12 Q16 L17 R18A12-S14 PolarHBondContact O-N 2.72Å; S14-Q16 PolarHBondContact O-N 2.7Å; S14-L17 PolarHBondContact O-N 3.44Å; S14-L17 WeakPolarHBondContact OG-CB 3.4Å; S14-L17 PolarHBondContact OG-N 2.78Å; S14-R18 PolarHBondContact O-N 2.98Å; S14-R18 VanDerWaalsContact O-N 3.13Å
15P86.5Confident77.4Confident88 Ų88119.8 Ų119.857%0.57160%0.601SS**Hα-helixtrans-53.1-26.2179.9-27.934.3000113.4R19P15-R19 PolarHBondContact O-N 3.35Å
16Q89.3Confident79.1Confident142 Ų142119.5 Ų119.566%0.66459%0.59SS**Hα-helixtrans-68.6-46.2172.4-72.7-179.4-46.200113S14 R18 R19 L20S14-Q16 PolarHBondContact O-N 2.7Å; Q16-R18 VanDerWaalsContact C-N 3.31Å; Q16-R18 PolarHBondContact O-N 2.95Å; Q16-R19 PolarHBondContact O-N 3.28Å; Q16-L20 PolarHBondContact O-N 3.31Å
17L90.5Very high80.9Confident79 Ų79113.6 Ų113.641%0.41457%0.574SS.*Hα-helixtrans-63.7-38.5178.7-17359.4000111.5L13 S14 L20 E21L13-L17 HydrophobicContact CB-CD2 4.3Å; L13-L17 HydrophobicContact CD2-CD2 3.38Å; L13-L17 HydrophobicContact CD2-CG 4.29Å; L13-L17 HydrophobicContact CG-CD2 4.43Å; S14-L17 PolarHBondContact O-N 3.44Å; S14-L17 WeakPolarHBondContact OG-CB 3.4Å; S14-L17 PolarHBondContact OG-N 2.78Å; L17-L20 PolarHBondContact O-N 3.02Å; L17-E21 WeakPolarHBondContact O-CB 3.39Å; L17-E21 PolarHBondContact O-N 3.28Å
18R90.4Very high83Confident141 Ų141113.3 Ų113.353%0.53257%0.572SS.*Hα-helixtrans-61.7-44.5173.5-169.7-176.8-61.91582.6111.9S14 Q16 L20 E21 Q22S14-R18 PolarHBondContact O-N 2.98Å; S14-R18 VanDerWaalsContact O-N 3.13Å; Q16-R18 VanDerWaalsContact C-N 3.31Å; Q16-R18 PolarHBondContact O-N 2.95Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 2.86Å; R18-E21 PolarHBondContact O-N 3.36Å; R18-Q22 VanDerWaalsContact O-CG 3.24Å; R18-Q22 WeakPolarHBondContact O-CG 3.19Å; R18-Q22 PolarHBondContact O-N 3.14Å
19R94.3Very high85Confident163 Ų163113.6 Ų113.662%0.61557%0.57SS**Hα-helixtrans-61-42175.7-80.3-171.6-71.4-101.42.9112P15 Q16 Q22 H23P15-R19 PolarHBondContact O-N 3.35Å; Q16-R19 PolarHBondContact O-N 3.28Å; R19-Q22 PolarHBondContact O-N 3.42Å; R19-H23 WeakPolarHBondContact O-CB 3.42Å; R19-H23 PolarHBondContact O-N 3.45Å
20L96.3Very high87.2Confident110 Ų110115 Ų11558%0.57656%0.561SS**Hα-helixtrans-64.5-44.5178-177.163.9000111.9Q16 L17 R18 Q22 H23 Q24Q16-L20 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 3.02Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 2.86Å; L20-Q22 PolarHBondContact O-N 3.2Å; L20-H23 PolarHBondContact O-N 3.4Å; L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 PolarHBondContact O-N 2.84Å
21E95.2Very high89.4Confident92 Ų92113.4 Ų113.443%0.4355%0.554SS.*Hα-helixtrans-61.3-43.2176.9-174.8-17678.100111.6L17 R18 H23 Q24 R25L17-E21 WeakPolarHBondContact O-CB 3.39Å; L17-E21 PolarHBondContact O-N 3.28Å; R18-E21 PolarHBondContact O-N 3.36Å; E21-H23 PolarHBondContact O-N 3.07Å; E21-Q24 PolarHBondContact O-N 2.99Å; E21-R25 WeakPolarHBondContact O-CG 3.2Å; E21-R25 PolarHBondContact O-N 2.84Å
22Q96.1Very high91.4Very high100 Ų100111.3 Ų111.347%0.46754%0.544SS..Hα-helixtrans-61.4-44.3175.1-68.6-62.6-48.200111.7R18 R19 L20 Q24 R25 Q26R18-Q22 VanDerWaalsContact O-CG 3.24Å; R18-Q22 WeakPolarHBondContact O-CG 3.19Å; R18-Q22 PolarHBondContact O-N 3.14Å; R19-Q22 PolarHBondContact O-N 3.42Å; L20-Q22 PolarHBondContact O-N 3.2Å; Q22-Q24 PolarHBondContact O-N 2.83Å; Q22-R25 PolarHBondContact O-N 2.83Å; Q22-Q26 WeakPolarHBondContact O-CB 3.33Å; Q22-Q26 PolarHBondContact O-N 3.44Å
23H97.1Very high93.2Very high101 Ų101115.5 Ų115.547%0.46854%0.542SS..Hα-helixtrans-64.1-40.4177-171.276.2000112.2R19 L20 E21 R25 Q26 L27R19-H23 WeakPolarHBondContact O-CB 3.42Å; R19-H23 PolarHBondContact O-N 3.45Å; L20-H23 PolarHBondContact O-N 3.4Å; E21-H23 PolarHBondContact O-N 3.07Å; H23-R25 PolarHBondContact O-N 2.85Å; H23-Q26 WeakPolarHBondContact O-CB 3.4Å; H23-Q26 PolarHBondContact O-N 3.34Å; H23-L27 WeakPolarHBondContact O-CG 3.43Å; H23-L27 PolarHBondContact O-N 2.78Å
24Q96.9Very high94.8Very high134 Ų134120 Ų12063%0.62655%0.553SS**Hα-helixtrans-60.9-44.4175.3-174-17185.400111.3L20 E21 Q22 Q26 L27 L28L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 PolarHBondContact O-N 2.84Å; E21-Q24 PolarHBondContact O-N 2.99Å; Q22-Q24 PolarHBondContact O-N 2.83Å; Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 2.86Å; Q24-L27 PolarHBondContact O-N 3.1Å; Q24-L28 PolarHBondContact O-N 2.81Å; Q24-L28 VanDerWaalsContact O-N 3.08Å
25R97.1Very high95.4Very high155 Ų155119.1 Ų119.159%0.58555%0.549SS*.Hα-helixtrans-61.2-42.5175-70.5-178.484.9-115.82.6111.3E21 Q22 H23 L27 L28 E29E21-R25 WeakPolarHBondContact O-CG 3.2Å; E21-R25 PolarHBondContact O-N 2.84Å; Q22-R25 PolarHBondContact O-N 2.83Å; H23-R25 PolarHBondContact O-N 2.85Å; R25-L27 PolarHBondContact O-N 2.95Å; R25-L28 PolarHBondContact O-N 3.38Å; R25-E29 WeakPolarHBondContact O-CB 3.5Å; R25-E29 PolarHBondContact O-N 3.42Å
26Q97.8Very high95.8Very high115 Ų115120.7 Ų120.754%0.53755%0.548SS..Hα-helixtrans-62.9-41.6178.7-172.6175.90.500112.3Q22 H23 Q24 E29 L30Q22-Q26 WeakPolarHBondContact O-CB 3.33Å; Q22-Q26 PolarHBondContact O-N 3.44Å; H23-Q26 WeakPolarHBondContact O-CB 3.4Å; H23-Q26 PolarHBondContact O-N 3.34Å; Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 2.86Å; Q26-E29 PolarHBondContact O-N 3.48Å; Q26-L30 HydrophobicContact CG-CD1 4.39Å; Q26-L30 WeakPolarHBondContact O-CB 3.3Å; Q26-L30 PolarHBondContact O-N 3.39Å
27L98.3Very high96Very high98 Ų98119.6 Ų119.651%0.51354%0.544SS..Hα-helixtrans-62.3-43.2175-75.2172.1000111.8H23 Q24 R25 E29 L30 Q31H23-L27 WeakPolarHBondContact O-CG 3.43Å; H23-L27 PolarHBondContact O-N 2.78Å; Q24-L27 PolarHBondContact O-N 3.1Å; R25-L27 PolarHBondContact O-N 2.95Å; L27-E29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 3.31Å; L27-Q31 PolarHBondContact O-N 2.89Å
28L98Very high96.3Very high112 Ų112118.2 Ų118.259%0.58654%0.541SS*.Hα-helixtrans-63.5-42.3177.8-16280.6000111.3Q24 R25 Q31 Q32Q24-L28 PolarHBondContact O-N 2.81Å; Q24-L28 VanDerWaalsContact O-N 3.08Å; R25-L28 PolarHBondContact O-N 3.38Å; L28-Q31 PolarHBondContact O-N 3.27Å; L28-Q32 WeakPolarHBondContact O-CB 3.19Å; L28-Q32 PolarHBondContact O-N 3.29Å
29E97.8Very high96.6Very high131 Ų131119.8 Ų119.861%0.61255%0.546SS*.Hα-helixtrans-63.2-43.1176.9-168.4-179.4139.800111.6R25 Q26 L27 Q31 Q32 R33R25-E29 WeakPolarHBondContact O-CB 3.5Å; R25-E29 PolarHBondContact O-N 3.42Å; Q26-E29 PolarHBondContact O-N 3.48Å; L27-E29 VanDerWaalsContact C-N 3.34Å; E29-Q31 PolarHBondContact O-N 3.12Å; E29-Q32 PolarHBondContact O-N 3.43Å; E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 2.72Å
30L98.1Very high96.7Very high97 Ų97115.3 Ų115.351%0.50854%0.538SS..Hα-helixtrans-61.1-43.7174.5-105.1146.8000112.4Q26 L27 R33 R34Q26-L30 HydrophobicContact CG-CD1 4.39Å; Q26-L30 WeakPolarHBondContact O-CB 3.3Å; Q26-L30 PolarHBondContact O-N 3.39Å; L27-L30 PolarHBondContact O-N 3.31Å; L30-R33 PolarHBondContact O-N 2.85Å; L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.12Å
31Q96.6Very high96.7Very high132 Ų132114.8 Ų114.862%0.61753%0.533SS*.Hα-helixtrans-62.7-45.1175.4-174.1-169.567.600110.9L27 L28 E29 R33 R34 A35L27-Q31 PolarHBondContact O-N 2.89Å; L28-Q31 PolarHBondContact O-N 3.27Å; E29-Q31 PolarHBondContact O-N 3.12Å; Q31-R33 PolarHBondContact O-N 3.45Å; Q31-R34 PolarHBondContact O-N 3.26Å; Q31-A35 WeakPolarHBondContact O-CB 3.36Å; Q31-A35 PolarHBondContact O-N 3.43Å
32Q97Very high96.7Very high116 Ų116116 Ų11654%0.54254%0.539SS..Hα-helixtrans-63.3-43.1178.5-167.5-173.186.600111.1L28 E29 R34 A35 Q36L28-Q32 WeakPolarHBondContact O-CB 3.19Å; L28-Q32 PolarHBondContact O-N 3.29Å; E29-Q32 PolarHBondContact O-N 3.43Å; Q32-R34 VanDerWaalsContact C-N 3.35Å; Q32-R34 PolarHBondContact O-N 3.21Å; Q32-A35 PolarHBondContact O-N 3.37Å; Q32-Q36 WeakPolarHBondContact O-CB 3.23Å; Q32-Q36 WeakPolarHBondContact O-CG 3.5Å; Q32-Q36 PolarHBondContact O-N 2.92Å
33R96.9Very high96.8Very high168 Ų168119.5 Ų119.563%0.63455%0.548SS*.Hα-helixtrans-62.2-42.3176.6-171.3174.4-178-90.20.6111.5E29 L30 Q31 Q36 Q37E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 2.72Å; L30-R33 PolarHBondContact O-N 2.85Å; Q31-R33 PolarHBondContact O-N 3.45Å; R33-Q36 PolarHBondContact O-N 3.32Å; R33-Q37 WeakPolarHBondContact O-CB 3.33Å; R33-Q37 PolarHBondContact O-N 3.4Å
34R96.5Very high96.8Very high190 Ų190122.5 Ų122.572%0.71756%0.555SS**Hα-helixtrans-60.1-47.2173.9-174.9-175.5-66.8-169.3-1.4111.3L30 Q31 Q32 Q37 S38L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.12Å; Q31-R34 PolarHBondContact O-N 3.26Å; Q32-R34 VanDerWaalsContact C-N 3.35Å; Q32-R34 PolarHBondContact O-N 3.21Å; R34-Q37 PolarHBondContact O-N 2.85Å; R34-S38 PolarHBondContact O-N 3.22Å; R34-S38 PolarHBondContact O-OG 3.46Å
35A95.9Very high96.9Very high38 Ų38120.9 Ų120.931%0.31455%0.55SS.*Hα-helixtrans-65.5-38.417900000112.5Q31 Q32 Q37 S38 R39Q31-A35 WeakPolarHBondContact O-CB 3.36Å; Q31-A35 PolarHBondContact O-N 3.43Å; Q32-A35 PolarHBondContact O-N 3.37Å; A35-Q37 VanDerWaalsContact C-N 3.31Å; A35-S38 PolarHBondContact O-OG 3.09Å; A35-R39 WeakPolarHBondContact O-CB 3.38Å; A35-R39 WeakPolarHBondContact O-CG 3.35Å; A35-R39 PolarHBondContact O-N 2.87Å
36Q95.1Very high97Very high120 Ų120118.7 Ų118.756%0.56155%0.55SS*.Hα-helixtrans-65.9-35.4174.8-76-170.761.800111.8Q32 R33 P40Q32-Q36 WeakPolarHBondContact O-CB 3.23Å; Q32-Q36 WeakPolarHBondContact O-CG 3.5Å; Q32-Q36 PolarHBondContact O-N 2.92Å; R33-Q36 PolarHBondContact O-N 3.32Å; Q36-P40 WeakPolarHBondContact O-CD 3.24Å
37Q94.3Very high97Very high120 Ų120119.1 Ų119.156%0.56155%0.552SS**Hα-helixtrans-74.1-37.4177.7-169.9173.7-1.600112.4R33 R34 A35 P40R33-Q37 WeakPolarHBondContact O-CB 3.33Å; R33-Q37 PolarHBondContact O-N 3.4Å; R34-Q37 PolarHBondContact O-N 2.85Å; A35-Q37 VanDerWaalsContact C-N 3.31Å; Q37-P40 WeakPolarHBondContact O-CD 3.37Å; Q37-P40 WeakPolarHBondContact O-CG 3.33Å
38S96.4Very high97Very high50 Ų50119.3 Ų119.335%0.3555%0.553SS.*Hα-helixtrans-79.3-31.3-178.468.10000113.6R34 A35 Q41 Q42R34-S38 PolarHBondContact O-N 3.22Å; R34-S38 PolarHBondContact O-OG 3.46Å; A35-S38 PolarHBondContact O-OG 3.09Å; S38-Q41 PolarHBondContact O-N 3.2Å; S38-Q42 WeakPolarHBondContact O-CB 3.21Å; S38-Q42 PolarHBondContact O-N 3.13Å
39R96.4Very high97Very high173 Ų173120.2 Ų120.265%0.65355%0.554SS**Hα-helixtrans-52-51.5178.4-86.4171.9-177.4-114.31.3114.6A35 Q41 Q42 R43A35-R39 WeakPolarHBondContact O-CB 3.38Å; A35-R39 WeakPolarHBondContact O-CG 3.35Å; A35-R39 PolarHBondContact O-N 2.87Å; R39-Q41 VanDerWaalsContact C-N 3.34Å; R39-Q42 PolarHBondContact O-N 3.47Å; R39-R43 WeakPolarHBondContact O-CG 3.23Å; R39-R43 PolarHBondContact O-N 3.27Å
40P97.1Very high97.1Very high69 Ų69119.1 Ų119.145%0.44855%0.552SS.*Hα-helixtrans-67.7-33.8179.125.8-34.2000112.3Q36 Q37 R43 R44Q36-P40 WeakPolarHBondContact O-CD 3.24Å; Q37-P40 WeakPolarHBondContact O-CD 3.37Å; Q37-P40 WeakPolarHBondContact O-CG 3.33Å; P40-R43 PolarHBondContact O-N 3.23Å; P40-R44 WeakPolarHBondContact O-CG 3.34Å; P40-R44 PolarHBondContact O-N 3.04Å
41Q95.8Very high97.1Very high99 Ų99120.8 Ų120.846%0.46356%0.557SS.*Hα-helixtrans-62.4-53.5173.2-68.3-176.6-6300110.3S38 R39 R43 R44 D45S38-Q41 PolarHBondContact O-N 3.2Å; R39-Q41 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.34Å; Q41-R44 WeakPolarHBondContact O-CA 3.47Å; Q41-R44 PolarHBondContact O-N 3.19Å; Q41-D45 PolarHBondContact O-N 2.93Å
42Q96.4Very high97.2Very high119 Ų119120.7 Ų120.756%0.55656%0.556SS**Hα-helixtrans-54.4-39.8176.5-176-178.6-1.900112.2S38 R39 L46S38-Q42 WeakPolarHBondContact O-CB 3.21Å; S38-Q42 PolarHBondContact O-N 3.13Å; R39-Q42 PolarHBondContact O-N 3.47Å; Q42-L46 PolarHBondContact O-N 3.4Å
43R97.7Very high97.3Very high173 Ų173120 Ų12065%0.65355%0.554SS**Hα-helixtrans-64.4-45.5175.1-79-162.763.2-131.3-15.2112.6R39 P40 Q41 D45 L46 E47R39-R43 WeakPolarHBondContact O-CG 3.23Å; R39-R43 PolarHBondContact O-N 3.27Å; P40-R43 PolarHBondContact O-N 3.23Å; Q41-R43 PolarHBondContact O-N 3.34Å; R43-D45 VanDerWaalsContact C-N 3.34Å; R43-L46 PolarHBondContact O-N 3.31Å; R43-E47 WeakPolarHBondContact O-CB 3.5Å; R43-E47 PolarHBondContact O-N 2.94Å
44R97.9Very high97.3Very high164 Ų164118.5 Ų118.562%0.61955%0.554SS**Hα-helixtrans-62.7-42.7176.6-74.7-163.9-63-153.32.3111.3P40 Q41 L46 E47 L48P40-R44 WeakPolarHBondContact O-CG 3.34Å; P40-R44 PolarHBondContact O-N 3.04Å; Q41-R44 WeakPolarHBondContact O-CA 3.47Å; Q41-R44 PolarHBondContact O-N 3.19Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.43Å; R44-E47 PolarHBondContact O-N 3.48Å; R44-L48 WeakPolarHBondContact O-CB 3.47Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.49Å; R44-L48 PolarHBondContact O-N 2.9Å
45D98.2Very high97.4Very high99 Ų99114.9 Ų114.953%0.52955%0.545SS..Hα-helixtrans-62.7-43.1179.6-59.5-21.6000110.9Q41 R43 E47 L48 Q49Q41-D45 PolarHBondContact O-N 2.93Å; R43-D45 VanDerWaalsContact C-N 3.34Å; D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.36Å; D45-L48 PolarHBondContact O-N 3.5Å; D45-Q49 WeakPolarHBondContact O-CB 3.25Å; D45-Q49 PolarHBondContact O-N 3.44Å
46L98.4Very high97.5Very high109 Ų109117.8 Ų117.857%0.57155%0.552SS**Hα-helixtrans-63.1-40.8174.5-124.392.6000112.4Q42 R43 R44 Q49 L50Q42-L46 PolarHBondContact O-N 3.4Å; R43-L46 PolarHBondContact O-N 3.31Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.43Å; L46-Q49 PolarHBondContact O-N 3.47Å; L46-L50 WeakPolarHBondContact O-CB 3.43Å; L46-L50 PolarHBondContact O-N 2.72Å
47E98.2Very high97.7Very high124 Ų124116.8 Ų116.858%0.57955%0.55SS*.Hα-helixtrans-65.4-42.8179.4-167.8172.9137.200111.1R43 R44 D45 L50 Q51R43-E47 WeakPolarHBondContact O-CB 3.5Å; R43-E47 PolarHBondContact O-N 2.94Å; R44-E47 PolarHBondContact O-N 3.48Å; D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.36Å; E47-L50 PolarHBondContact O-N 2.72Å; E47-Q51 WeakPolarHBondContact O-CB 3.43Å; E47-Q51 PolarHBondContact O-N 2.75Å
48L98.6Very high97.9Very high103 Ų103116.7 Ų116.754%0.53955%0.549SS..Hα-helixtrans-62.4-44.2173.3-71.7172.3000111.6R44 D45 L50 Q51 Q52R44-L48 WeakPolarHBondContact O-CB 3.47Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.49Å; R44-L48 PolarHBondContact O-N 2.9Å; D45-L48 PolarHBondContact O-N 3.5Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.5Å; L48-Q51 PolarHBondContact O-N 2.89Å; L48-Q52 WeakPolarHBondContact O-CB 3.42Å; L48-Q52 PolarHBondContact O-N 3.14Å
49Q98.6Very high98Very high131 Ų131119.4 Ų119.461%0.61256%0.556SS**Hα-helixtrans-61.1-43.6176.9-174.3-174.2-16.700111.4D45 L46 Q52 Q53D45-Q49 WeakPolarHBondContact O-CB 3.25Å; D45-Q49 PolarHBondContact O-N 3.44Å; L46-Q49 PolarHBondContact O-N 3.47Å; Q49-Q52 PolarHBondContact O-N 2.78Å; Q49-Q53 PolarHBondContact O-N 3.23Å
50L98.7Very high98Very high108 Ų108118.7 Ų118.757%0.56555%0.554SS**Hα-helixtrans-65.3-42.8177.6-178.362.5000111.5L46 E47 L48 Q52 Q53 Q54L46-L50 WeakPolarHBondContact O-CB 3.43Å; L46-L50 PolarHBondContact O-N 2.72Å; E47-L50 PolarHBondContact O-N 2.72Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.5Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-Q53 PolarHBondContact O-N 3.42Å; L50-Q54 WeakPolarHBondContact O-CB 3.46Å; L50-Q54 PolarHBondContact O-N 3.01Å
51Q98.5Very high98.1Very high132 Ų132121.5 Ų121.562%0.61756%0.561SS**Hα-helixtrans-61.1-44.3176.7-178.717461.700111.5E47 L48 Q54 Q55E47-Q51 WeakPolarHBondContact O-CB 3.43Å; E47-Q51 PolarHBondContact O-N 2.75Å; L48-Q51 PolarHBondContact O-N 2.89Å; Q51-Q54 PolarHBondContact O-N 2.82Å; Q51-Q55 PolarHBondContact O-N 3.16Å
52Q98.4Very high98.2Very high129 Ų129122.9 Ų122.960%0.60357%0.567SS**Hα-helixtrans-59.3-48.6175.2-177.4-165.79000111L48 Q49 L50 Q54 Q55 E56L48-Q52 WeakPolarHBondContact O-CB 3.42Å; L48-Q52 PolarHBondContact O-N 3.14Å; Q49-Q52 PolarHBondContact O-N 2.78Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-Q54 VanDerWaalsContact C-N 3.28Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q52-Q55 WeakPolarHBondContact O-CB 3.33Å; Q52-Q55 PolarHBondContact O-N 3.37Å; Q52-Q55 VanDerWaalsContact O-N 3.13Å; Q52-E56 PolarHBondContact O-N 2.95Å
53Q98.6Very high98.3Very high103 Ų103121.9 Ų121.948%0.48157%0.565SS.*Hα-helixtrans-59.3-42178.7-173.8-127.898.300111.3Q49 L50 Q55 E56 L57Q49-Q53 PolarHBondContact O-N 3.23Å; L50-Q53 PolarHBondContact O-N 3.42Å; Q53-Q55 VanDerWaalsContact C-N 3.34Å; Q53-Q55 PolarHBondContact O-N 3.2Å; Q53-E56 PolarHBondContact O-N 3.04Å; Q53-L57 WeakPolarHBondContact O-CG 3.42Å; Q53-L57 PolarHBondContact O-N 2.89Å
54Q98.2Very high98.2Very high136 Ų136119.7 Ų119.764%0.63656%0.563SS**Hα-helixtrans-64-40.3176.9-173.817093.300112.1L50 Q51 Q52 L57 Q58L50-Q54 WeakPolarHBondContact O-CB 3.46Å; L50-Q54 PolarHBondContact O-N 3.01Å; Q51-Q54 PolarHBondContact O-N 2.82Å; Q52-Q54 VanDerWaalsContact C-N 3.28Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q54-L57 PolarHBondContact O-N 3.1Å; Q54-Q58 WeakPolarHBondContact O-CB 3.49Å; Q54-Q58 PolarHBondContact O-N 3.48Å
55Q98.4Very high98.2Very high114 Ų114117.5 Ų117.553%0.53356%0.56SS.*Hα-helixtrans-64.4-40.7175.1-170.1-179.936.400111.7Q51 Q52 Q53 Q58 Q59Q51-Q55 PolarHBondContact O-N 3.16Å; Q52-Q55 WeakPolarHBondContact O-CB 3.33Å; Q52-Q55 PolarHBondContact O-N 3.37Å; Q52-Q55 VanDerWaalsContact O-N 3.13Å; Q53-Q55 VanDerWaalsContact C-N 3.34Å; Q53-Q55 PolarHBondContact O-N 3.2Å; Q55-Q58 WeakPolarHBondContact O-CB 3.33Å; Q55-Q58 PolarHBondContact O-N 2.84Å; Q55-Q59 PolarHBondContact O-N 3.17Å
56E98.4Very high98.1Very high99 Ų99120.6 Ų120.646%0.46357%0.565SS.*Hα-helixtrans-62.5-45.9175.7-171-171.1118.100111Q52 Q53 Q58 Q59 R60Q52-E56 PolarHBondContact O-N 2.95Å; Q53-E56 PolarHBondContact O-N 3.04Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 3.42Å; E56-Q59 PolarHBondContact O-N 2.84Å; E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CB 3.48Å; E56-R60 WeakPolarHBondContact O-CG 3.5Å; E56-R60 PolarHBondContact O-N 2.83Å; E56-R60 IonicContact OE1-NE 3.08Å; E56-R60 PolarHBondContact OE1-NE 2.88Å; E56-R60 VanDerWaalsContact OE1-NE 3.08Å
57L98.4Very high98Very high98 Ų98120.8 Ų120.851%0.51356%0.563SS.*Hα-helixtrans-59.8-40.7176.5-72.9178.4000111.7Q53 Q54 R60 Q61Q53-L57 WeakPolarHBondContact O-CG 3.42Å; Q53-L57 PolarHBondContact O-N 2.89Å; Q54-L57 PolarHBondContact O-N 3.1Å; L57-R60 PolarHBondContact O-N 3.29Å; L57-Q61 WeakPolarHBondContact O-CB 3.22Å; L57-Q61 PolarHBondContact O-N 2.82Å
58Q98.5Very high97.7Very high118 Ų118119.6 Ų119.655%0.55156%0.557SS**Hα-helixtrans-62.3-48.4175.2-175.5-174.172.800111.6Q54 Q55 E56 R60 Q61 Q62Q54-Q58 WeakPolarHBondContact O-CB 3.49Å; Q54-Q58 PolarHBondContact O-N 3.48Å; Q55-Q58 WeakPolarHBondContact O-CB 3.33Å; Q55-Q58 PolarHBondContact O-N 2.84Å; E56-Q58 VanDerWaalsContact C-N 3.28Å; E56-Q58 PolarHBondContact O-N 3.42Å; Q58-R60 PolarHBondContact O-N 2.92Å; Q58-Q61 WeakPolarHBondContact O-CB 3.46Å; Q58-Q61 PolarHBondContact O-N 3.47Å; Q58-Q62 PolarHBondContact O-N 3.17Å
59Q97.8Very high97.5Very high107 Ų107120.8 Ų120.850%0.556%0.56SS.*Hα-helixtrans-59.8-46.8176.2-88.3-169.153.600111.8Q55 E56 Q61 Q62 I63Q55-Q59 PolarHBondContact O-N 3.17Å; E56-Q59 PolarHBondContact O-N 2.84Å; Q59-Q61 VanDerWaalsContact C-N 3.25Å; Q59-Q61 PolarHBondContact O-N 2.85Å; Q59-Q62 WeakPolarHBondContact O-CB 3.26Å; Q59-Q62 PolarHBondContact O-N 3.21Å; Q59-Q62 VanDerWaalsContact O-N 3.11Å; Q59-I63 WeakPolarHBondContact O-CG1 3.25Å; Q59-I63 PolarHBondContact O-N 2.93Å
60R98Very high97.1Very high159 Ų159118.4 Ų118.460%0.655%0.551SS**Hα-helixtrans-57.8-39.9177.3-81.8174.4161.2-90.1-2.5111.8E56 L57 Q58 I63 M64E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CB 3.48Å; E56-R60 WeakPolarHBondContact O-CG 3.5Å; E56-R60 PolarHBondContact O-N 2.83Å; E56-R60 IonicContact OE1-NE 3.08Å; E56-R60 PolarHBondContact OE1-NE 2.88Å; E56-R60 VanDerWaalsContact OE1-NE 3.08Å; L57-R60 PolarHBondContact O-N 3.29Å; Q58-R60 PolarHBondContact O-N 2.92Å; R60-I63 PolarHBondContact O-N 2.87Å; R60-M64 VanDerWaalsContact O-CB 3.28Å; R60-M64 WeakPolarHBondContact O-CB 3.49Å; R60-M64 PolarHBondContact O-N 2.87Å
61Q98.1Very high96.6Very high127 Ų127118 Ų11859%0.59355%0.546SS*.Hα-helixtrans-64.2-44.3176-173.6-178.588.300111.4L57 Q58 Q59 M64 Q65L57-Q61 WeakPolarHBondContact O-CB 3.22Å; L57-Q61 PolarHBondContact O-N 2.82Å; Q58-Q61 WeakPolarHBondContact O-CB 3.46Å; Q58-Q61 PolarHBondContact O-N 3.47Å; Q59-Q61 VanDerWaalsContact C-N 3.25Å; Q59-Q61 PolarHBondContact O-N 2.85Å; Q61-M64 PolarHBondContact O-N 3.34Å; Q61-Q65 PolarHBondContact O-N 3.49Å
62Q97.9Very high95.9Very high129 Ų129117.4 Ų117.460%0.60354%0.544SS*.Hα-helixtrans-61.6-45.6175.5-72.9-171.5-14.400112Q58 Q59 M64 Q65 W66Q58-Q62 PolarHBondContact O-N 3.17Å; Q59-Q62 WeakPolarHBondContact O-CB 3.26Å; Q59-Q62 PolarHBondContact O-N 3.21Å; Q59-Q62 VanDerWaalsContact O-N 3.11Å; Q62-M64 VanDerWaalsContact C-N 3.32Å; Q62-M64 PolarHBondContact O-N 2.86Å; Q62-Q65 WeakPolarHBondContact O-CB 3.33Å; Q62-Q65 PolarHBondContact O-N 3.31Å; Q62-W66 WeakPolarHBondContact O-CB 3.28Å; Q62-W66 PolarHBondContact O-N 3.11Å
63I97.8Very high94.7Very high97 Ų97114.5 Ų114.550%0.49754%0.537SS..Hα-helixtrans-61.4-42.9177.7-67.6164.9000110.6Q59 R60 W66 Q67Q59-I63 WeakPolarHBondContact O-CG1 3.25Å; Q59-I63 PolarHBondContact O-N 2.93Å; R60-I63 PolarHBondContact O-N 2.87Å; I63-W66 PolarHBondContact O-N 3.24Å; I63-Q67 WeakPolarHBondContact O-CB 3.38Å; I63-Q67 PolarHBondContact O-N 3.44Å
64M97.4Very high93.5Very high127 Ų127113.5 Ų113.563%0.62654%0.535SS*.Hα-helixtrans-60.6-46176.3-177.9-134.8-66.500111.3R60 Q61 Q62 Q67 Q68R60-M64 VanDerWaalsContact O-CB 3.28Å; R60-M64 WeakPolarHBondContact O-CB 3.49Å; R60-M64 PolarHBondContact O-N 2.87Å; Q61-M64 PolarHBondContact O-N 3.34Å; Q62-M64 VanDerWaalsContact C-N 3.32Å; Q62-M64 PolarHBondContact O-N 2.86Å; M64-Q67 PolarHBondContact O-N 2.89Å; M64-Q68 PolarHBondContact O-N 3.13Å; M64-Q68 VanDerWaalsContact O-N 3.08Å
65Q97.3Very high91.7Very high119 Ų119113.9 Ų113.956%0.55654%0.535SS*.Hα-helixtrans-60.5-47.5177.2-168.596.78300111Q61 Q62 Q67 Q68 E69Q61-Q65 PolarHBondContact O-N 3.49Å; Q62-Q65 WeakPolarHBondContact O-CB 3.33Å; Q62-Q65 PolarHBondContact O-N 3.31Å; Q65-Q67 VanDerWaalsContact C-N 3.35Å; Q65-Q67 PolarHBondContact O-N 3.08Å; Q65-Q68 WeakPolarHBondContact O-CB 3.48Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.13Å; Q65-E69 PolarHBondContact O-N 3.45Å
66W96.3Very high89.7Confident163 Ų163113 Ų11362%0.61754%0.541SS*.Hα-helixtrans-62.1-40.7178.6179.278.6000112.3Q62 I63 Q68 E69 L70Q62-W66 WeakPolarHBondContact O-CB 3.28Å; Q62-W66 PolarHBondContact O-N 3.11Å; I63-W66 PolarHBondContact O-N 3.24Å; W66-Q68 VanDerWaalsContact C-N 3.28Å; W66-Q68 PolarHBondContact O-N 3.37Å; W66-E69 PolarHBondContact O-N 3.46Å; W66-L70 HydrophobicContact CD2-CD1 3.84Å; W66-L70 HydrophobicContact CE3-CD1 3.73Å; W66-L70 HydrophobicContact CH2-CD1 3.12Å; W66-L70 HydrophobicContact CZ2-CD1 3.21Å; W66-L70 HydrophobicContact CZ2-CG 4.41Å; W66-L70 HydrophobicContact CZ3-CD1 3.38Å; W66-L70 PolarHBondContact O-N 3.24Å
67Q95.3Very high87.5Confident113 Ų113115 Ų11553%0.52855%0.551SS.*Hα-helixtrans-61.8-37175-175.7175.276.500111.8I63 M64 Q65 L70 Q71I63-Q67 WeakPolarHBondContact O-CB 3.38Å; I63-Q67 PolarHBondContact O-N 3.44Å; M64-Q67 PolarHBondContact O-N 2.89Å; Q65-Q67 VanDerWaalsContact C-N 3.35Å; Q65-Q67 PolarHBondContact O-N 3.08Å; Q67-L70 WeakPolarHBondContact O-CB 3.38Å; Q67-L70 PolarHBondContact O-N 3.34Å; Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.08Å
68Q93.3Very high85.1Confident100 Ų100113.5 Ų113.547%0.46755%0.546SS..Hα-helixtrans-66.5-43.2175.4-174.1178.851.900111.8M64 Q65 W66 L70 Q71 Q72M64-Q68 PolarHBondContact O-N 3.13Å; M64-Q68 VanDerWaalsContact O-N 3.08Å; Q65-Q68 WeakPolarHBondContact O-CB 3.48Å; Q65-Q68 PolarHBondContact O-N 3.36Å; Q65-Q68 VanDerWaalsContact O-N 3.13Å; W66-Q68 VanDerWaalsContact C-N 3.28Å; W66-Q68 PolarHBondContact O-N 3.37Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.75Å; Q68-Q71 PolarHBondContact O-N 3.46Å; Q68-Q72 WeakPolarHBondContact O-CG 3.41Å; Q68-Q72 PolarHBondContact O-N 2.86Å
69E93.1Very high82.5Confident127 Ų127112.1 Ų112.159%0.59356%0.555SS**Hα-helixtrans-60.5-43.3175.7-173.7177.2170.700111.3Q65 W66 Q71 Q72 S73Q65-E69 PolarHBondContact O-N 3.45Å; W66-E69 PolarHBondContact O-N 3.46Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.18Å; E69-Q72 PolarHBondContact O-N 3.06Å; E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 2.95Å
70L91.2Very high80.1Confident82 Ų82114.6 Ų114.643%0.42957%0.57SS.*Hα-helixtrans-58.1-44.1173.1-112.8156.2000112.4W66 Q67 Q68 N74W66-L70 HydrophobicContact CD2-CD1 3.84Å; W66-L70 HydrophobicContact CE3-CD1 3.73Å; W66-L70 HydrophobicContact CH2-CD1 3.12Å; W66-L70 HydrophobicContact CZ2-CD1 3.21Å; W66-L70 HydrophobicContact CZ2-CG 4.41Å; W66-L70 HydrophobicContact CZ3-CD1 3.38Å; W66-L70 PolarHBondContact O-N 3.24Å; Q67-L70 WeakPolarHBondContact O-CB 3.38Å; Q67-L70 PolarHBondContact O-N 3.34Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 2.75Å; L70-N74 WeakPolarHBondContact O-CB 3.44Å; L70-N74 PolarHBondContact O-N 3.13Å
71Q87.6Confident77.9Confident99 Ų99113.8 Ų113.846%0.46358%0.577SS.*Hα-helixtrans-68-34.9176.3-74-179.212.600112.8Q67 Q68 E69 K75Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.08Å; Q68-Q71 PolarHBondContact O-N 3.46Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.18Å; Q71-K75 VanDerWaalsContact O-CB 3.25Å; Q71-K75 WeakPolarHBondContact O-CB 3.5Å; Q71-K75 WeakPolarHBondContact O-CD 3.39Å; Q71-K75 VanDerWaalsContact O-CG 3.26Å; Q71-K75 WeakPolarHBondContact O-CG 3.5Å; Q71-K75 PolarHBondContact O-N 3.46Å
72Q83.2Confident75Confident120 Ų120112.7 Ų112.756%0.56158%0.584SS**Hα-helixtrans-69.1-43.5176-72.9-1809.900111.4Q68 E69 N74 K75 S76Q68-Q72 WeakPolarHBondContact O-CG 3.41Å; Q68-Q72 PolarHBondContact O-N 2.86Å; E69-Q72 PolarHBondContact O-N 3.06Å; Q72-N74 VanDerWaalsContact C-N 3.35Å; Q72-K75 PolarHBondContact O-N 3.31Å; Q72-S76 PolarHBondContact O-OG 3.43Å
73S74.7Confident73.1Confident68 Ų68112.8 Ų112.848%0.47660%0.595SS.*Hα-helixtrans-65.4-37.6174.7-176.80000112E69 S76E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 2.95Å; S73-S76 PolarHBondContact O-OG 3.38Å
74N73.6Confident70.6Confident82 Ų82113.6 Ų113.644%0.43961%0.609SS.*Hα-helixtrans-72.1-41175.5-162.5-94.5000111.5L70 Q72 S76 Q77 T78L70-N74 WeakPolarHBondContact O-CB 3.44Å; L70-N74 PolarHBondContact O-N 3.13Å; Q72-N74 VanDerWaalsContact C-N 3.35Å; N74-S76 PolarHBondContact O-N 2.88Å; N74-S76 VanDerWaalsContact O-N 3.1Å; N74-Q77 CarbonylContact O-C 3.43Å; N74-Q77 WeakPolarHBondContact O-CA 3.39Å; N74-Q77 PolarHBondContact O-N 3.35Å; N74-T78 VanDerWaalsContact C-OG1 3.23Å; N74-T78 PolarHBondContact O-N 2.94Å; N74-T78 PolarHBondContact O-OG1 3.31Å; N74-T78 PolarHBondContact OD1-OG1 2.92Å
75K59.9Low69.1Low143 Ų143113.1 Ų113.162%0.62262%0.619SS**Hα-helixtrans-57.5-25.9-179.5-90.2164.6174.71550114.7Q71 Q72Q71-K75 VanDerWaalsContact O-CB 3.25Å; Q71-K75 WeakPolarHBondContact O-CB 3.5Å; Q71-K75 WeakPolarHBondContact O-CD 3.39Å; Q71-K75 VanDerWaalsContact O-CG 3.26Å; Q71-K75 WeakPolarHBondContact O-CG 3.5Å; Q71-K75 PolarHBondContact O-N 3.46Å; Q72-K75 PolarHBondContact O-N 3.31Å
76S56.4Low67Low96 Ų96110.4 Ų110.467%0.67162%0.623SS**THydrogen-bonded Turntrans-80.3-14.1171.641.10000113.8Q72 S73 N74Q72-S76 PolarHBondContact O-OG 3.43Å; S73-S76 PolarHBondContact O-OG 3.38Å; N74-S76 PolarHBondContact O-N 2.88Å; N74-S76 VanDerWaalsContact O-N 3.1Å
77Q52.8Low65.2Low141 Ų141110.7 Ų110.766%0.65964%0.635SS**THydrogen-bonded Turntrans-105.2-24.9173.9-62.3-172.41900113.8N74 A79N74-Q77 CarbonylContact O-C 3.43Å; N74-Q77 WeakPolarHBondContact O-CA 3.39Å; N74-Q77 PolarHBondContact O-N 3.35Å; Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.29Å
78T46.2Very low62.8Low67 Ų67110.7 Ų110.741%0.41165%0.647SS.*G310 helixtrans-74.9-10-176.6-180000114.3N74 L80 L81N74-T78 VanDerWaalsContact C-OG1 3.23Å; N74-T78 PolarHBondContact O-N 2.94Å; N74-T78 PolarHBondContact O-OG1 3.31Å; N74-T78 PolarHBondContact OD1-OG1 2.92Å; T78-L80 PolarHBondContact O-N 3Å; T78-L80 VanDerWaalsContact O-N 3.16Å; T78-L81 PolarHBondContact O-N 3.13Å
79A45.1Very low61Low89 Ų89112.3 Ų112.374%0.73666%0.663SS**G310 helixtrans-67.8-10.5179.300000114Q77Q77-A79 VanDerWaalsContact C-N 3.29Å; Q77-A79 PolarHBondContact O-N 3.29Å
80L47.1Very low59.8Low159 Ų159112.5 Ų112.583%0.83267%0.667SS**G310 helixtrans-107.8-8.4179.8-66.8-179.3000115.2T78T78-L80 PolarHBondContact O-N 3Å; T78-L80 VanDerWaalsContact O-N 3.16Å
81L50.8Low57.7Low142 Ų142118.4 Ų118.474%0.74369%0.685SS**  trans-121.874.6-179.7-61176000109.5T78T78-L81 PolarHBondContact O-N 3.13Å
82S39Very low56.6Low104 Ų104123 Ų12373%0.72771%0.706SS**  trans-55.4136.3167.7-82.40000110S84S82-S84 VanDerWaalsContact C-N 3.25Å; S82-S84 PolarHBondContact O-N 2.88Å
83P56.6Low55.6Low131 Ų131121.8 Ų121.885%0.85172%0.717SS**  trans-73.683.7174.930.4-31000108.4S85P83-S85 VanDerWaalsContact C-N 3.32Å; P83-S85 PolarHBondContact O-N 2.95Å
84S46Very low54.6Low113 Ų113127.1 Ų127.179%0.7974%0.739SS**  trans-69.996.3171.2-175.60000108.6S82 G86S82-S84 VanDerWaalsContact C-N 3.25Å; S82-S84 PolarHBondContact O-N 2.88Å; S84-G86 PolarHBondContact O-N 3.44Å
85S65.5Low53.6Low117 Ų117132.3 Ų132.382%0.81876%0.761SS**  trans-38.9125.6155.2166.60000111.7P83P83-S85 VanDerWaalsContact C-N 3.32Å; P83-S85 PolarHBondContact O-N 2.95Å
86G53.5Low52.9Low62 Ų62131 Ų13164%0.63977%0.77SS**  trans137.893158.100000116S84S84-G86 PolarHBondContact O-N 3.44Å
87L59.3Low52.5Low170 Ų170132.2 Ų132.289%0.8978%0.778SS**  trans49.4112.4140.2-52174.8000118.9
88C43.2Very low52.5Low113 Ų113134.6 Ų134.676%0.76479%0.789SS**  trans-120.291.5155.7-164.20000108.9I90C88-I90 HydrophobicContact CB-CG2 4.37Å; C88-I90 PolarHBondContact O-N 3.4Å; C88-I90 WeakPolarHBondContact SG-CG2 3.44Å
89T56.9Low52.1Low133 Ų133138.9 Ų138.982%0.81681%0.81SS**  trans-74.8110.2170.8-28.70000107.2
90I68.3Low52.1Low131 Ų131143.6 Ų143.667%0.67282%0.817SS**  trans-107.813.3-172.658.3166.4000114.4C88C88-I90 HydrophobicContact CB-CG2 4.37Å; C88-I90 PolarHBondContact O-N 3.4Å; C88-I90 WeakPolarHBondContact SG-CG2 3.44Å
91Y45.3Very low51.7Low206 Ų206144.4 Ų144.481%0.80882%0.816SS**  trans-124.582.3-179.1-93.7-87.6000111.5
92E65.5Low50.9Low195 Ų195144 Ų14491%0.91182%0.82SS**  trans-144.9142.8144.7-67.5-159.611800108.6
93A61.4Low51.2Low95 Ų95144.4 Ų144.479%0.78582%0.82SS**  trans8690.6178.600000117.1
94L53.7Low50.1Low180 Ų180146.9 Ų146.994%0.94282%0.82SS**  -160.274.9125.9-82.1-169.3000108.6
95E54.2Low49.6Very low192 Ų192151 Ų15190%0.89783%0.827SS**  trans-123.884.6160-160.3174.8-135.200106.5
96S45Very low47.9Very low116 Ų116152.6 Ų152.681%0.81183%0.826SS**  trans-177.9102.7163.3-84.20000110.8
97S48Very low47.4Very low120 Ų120155.1 Ų155.184%0.83983%0.832SS**  166.389.3120.6420000109.6
98E52.5Low46.2Very low191 Ų191154.7 Ų154.789%0.89383%0.83SS**  trans-72122.1149.353.1-177.4101.300107.5
99D37.8Very low45.7Very low157 Ų157154 Ų15484%0.8483%0.832SS**  trans-166.8102.9161.9-131.1-75.7000109.1
100E45Very low44.7Very low189 Ų189154.1 Ų154.188%0.88383%0.828SS**  trans-132.9108.4167.3-97.3-104.4113.900106.3
101E39.1Very low43.7Very low175 Ų175153.1 Ų153.182%0.81883%0.83SS**  trans169113.5142.8-105.7-175.871.900111.7
102T32.3Very low43Very low133 Ų133148.8 Ų148.882%0.81683%0.825SS**  169.4152.1111.8350000112.7
103P47Very low41.7Very low113 Ų113147.9 Ų147.973%0.73482%0.821SS**  trans-100.8165.6-15639.7-32.6000112.6
104E33.7Very low40.6Very low184 Ų184148.8 Ų148.886%0.8682%0.819SS**  trans179.3117.1144-79.4-140.2101.900110.5
105Q33.8Very low39.4Very low198 Ų198143.6 Ų143.693%0.92581%0.809SS**  trans-168.6114.5137.8-106.9171.516.400112
106N31.5Very low39Very low152 Ų152140 Ų14081%0.81380%0.802SS**  trans-63.3143.5173.8-100.1-61.7000113.4
107P43Very low38.4Very low115 Ų115141.8 Ų141.875%0.74780%0.802SS**  trans-123.1117.6151.334-18.8000110.7
108D33.4Very low38.5Very low160 Ų160140.4 Ų140.486%0.85679%0.791SS**  trans-163.9124.3156.1-152-101.7000112.3
109A32.2Very low37.6Very low98 Ų98139.6 Ų139.681%0.8179%0.787SS**  trans173.3100.1135.700000110.6
110D35.8Very low37.4Very low137 Ų137140.4 Ų140.473%0.73379%0.785SS**  trans-97.3151.4150.6-176.245.4000107.2
111P47.3Very low37.1Very low110 Ų110140.2 Ų140.271%0.71479%0.785SS**  -150.8147.892.132.9-11.7000115.8
112T31Very low36.7Very low115 Ų115140 Ų14071%0.70679%0.786SS**  163.696.6115.4-60.10000113.1
113Q37.3Very low36.6Very low175 Ų175139.6 Ų139.682%0.81879%0.787SS**  trans26.8165.5133.1-64.2-165.4-90.200123.8
114P39.2Very low36.4Very low115 Ų115139.5 Ų139.575%0.74779%0.786SS**  cis-133.5168.4-25.532-11.3000114.9
115G28.9Very low36.5Very low71 Ų71136.3 Ų136.373%0.73278%0.784SS**  trans-86.1-160.4166.500000113.4
116P44.3Very low36.4Very low116 Ų116132.6 Ų132.675%0.75378%0.778SS**  cis-133.3168.7-1.140.4-22.4000115.1
117D34.4Very low36.5Very low153 Ų153132.4 Ų132.482%0.81878%0.777SS**  166.8148125.8-96.8-58.8000112.5
118P48.5Very low36.7Very low91 Ų91132 Ų13259%0.59178%0.778SS**  trans-97.2174.9-173.337.4-28.3000112.1
119H34.1Very low37Very low174 Ų174131.7 Ų131.781%0.80678%0.776SS**  trans133.6135.5154.2-71.8-77.5000113.4
120E33.4Very low37.3Very low174 Ų174137.7 Ų137.781%0.81378%0.777SS**  trans80.894.4161.3-39.6-158.998.900117.6
121Q38.3Very low37.6Very low186 Ų186136.4 Ų136.487%0.86978%0.777SS**  -161.4104.2112.6-141.691.456.700110.1
122M31.3Very low37.1Very low171 Ų171135.3 Ų135.384%0.84277%0.772SS**PPolyproline II helixtrans-55.7127.3165.9-173.784.382.500110.1P124M122-P124 WeakPolarHBondContact O-CD 3.38Å
123C31Very low37.8Very low124 Ų124135.7 Ų135.784%0.83878%0.776SS**PPolyproline II helixtrans-75.8124.4164.3-63.30000109.7
124P41.4Very low37.8Very low110 Ų110135.5 Ų135.571%0.71478%0.775SS**PPolyproline II helixtrans-103.7121.6163.929.8-14.9000111.3M122M122-P124 WeakPolarHBondContact O-CD 3.38Å
125S36.6Very low38.2Very low117 Ų117138.4 Ų138.482%0.81878%0.779SS**  trans62.9111.2134.4-54.10000120.8
126C31.5Very low39Very low120 Ų120139.7 Ų139.781%0.81177%0.774SS**  171.2143125.956.70000106.7
127D33.2Very low39.3Very low148 Ų148138.8 Ų138.879%0.79177%0.768SS**  cis-157.4152.80.2-143.6-64.5000105.5D129D127-D129 PolarHBondContact O-N 3.29Å
128S48.7Very low40.3Very low107 Ų107137.5 Ų137.575%0.74877%0.769SS**  trans-78.2100.4177.3-67.20000108.9
129D37.9Very low40.7Very low154 Ų154139.5 Ų139.582%0.82477%0.773SS**  trans-158.397.7153.2-98.3-51000109.4D127 P131D127-D129 PolarHBondContact O-N 3.29Å; D129-P131 WeakPolarHBondContact O-CD 3.45Å
130R39.6Very low42.1Very low223 Ų223138.6 Ų138.684%0.84277%0.774SS**  trans-85.7106.9167.3178.8-179.3-177.1-140.41.9106.8S132R130-S132 PolarHBondContact O-N 3.48Å
131P41.1Very low43.9Very low110 Ų110133.3 Ų133.371%0.71475%0.751SS**  trans-69.7121159.628.5-28.8000106.8D129D129-P131 WeakPolarHBondContact O-CD 3.45Å
132S38.4Very low45.9Very low88 Ų88128.8 Ų128.862%0.61573%0.733SS**  trans-43.9149.8155.9-81.40000109.4R130 E134R130-S132 PolarHBondContact O-N 3.48Å; S132-E134 VanDerWaalsContact C-N 3.31Å; S132-E134 PolarHBondContact O-N 2.96Å
133P44.8Very low48.4Very low122 Ų122129.3 Ų129.379%0.79273%0.726SS**  trans-57.5102.7171.924.9-31.1000107.5Q135P133-Q135 PolarHBondContact O-N 3.25Å
134E37.8Very low51Low172 Ų172125 Ų12580%0.80470%0.702SS**  trans-58.8107.4176.4-164.416897.700105S132 P136S132-E134 VanDerWaalsContact C-N 3.31Å; S132-E134 PolarHBondContact O-N 2.96Å; E134-P136 WeakPolarHBondContact O-CD 3.36Å; E134-P136 VanDerWaalsContact O-N 3.14Å
135Q47.1Very low53.2Low176 Ų176125.6 Ų125.682%0.82269%0.693SS**PPolyproline II helixtrans-55.2123.4167.1-85.2-173.7-45.600105.6P133P133-Q135 PolarHBondContact O-N 3.25Å
136P45.8Very low55.6Low98 Ų98124.4 Ų124.464%0.63667%0.674SS**PPolyproline II helixtrans-55139.7176.622.6-31.1000107.5E134E134-P136 WeakPolarHBondContact O-CD 3.36Å; E134-P136 VanDerWaalsContact O-N 3.14Å
137P51Low58.5Low96 Ų96122.9 Ų122.962%0.62366%0.66SS**PPolyproline II helixtrans-49.3142.5178.221.3-32.2000108.2L139P137-L139 VanDerWaalsContact C-N 3.31Å; P137-L139 PolarHBondContact O-N 3.38Å
138P54.4Low61.3Low127 Ų127120.8 Ų120.883%0.82565%0.649SS**  trans-55.9106.5178.223.7-30.5000105.2D140P138-D140 VanDerWaalsContact C-N 3.26Å; P138-D140 PolarHBondContact O-N 2.93Å
139L57.8Low63.4Low132 Ų132120 Ų12069%0.69164%0.636SS**  trans-62.1107.6175.7-7793.1000103.1P137 L141P137-L139 VanDerWaalsContact C-N 3.31Å; P137-L139 PolarHBondContact O-N 3.38Å; L139-L141 HydrophobicContact CB-CD1 3.23Å; L139-L141 HydrophobicContact CD2-CD1 3.87Å; L139-L141 HydrophobicContact CG-CD1 4.19Å; L139-L141 PolarHBondContact O-N 2.89Å
140D64.3Low66Low155 Ų155116 Ų11683%0.82962%0.617SS**  trans-70.274.9171.9-149.4-38.8000105.3P138 D142P138-D140 VanDerWaalsContact C-N 3.26Å; P138-D140 PolarHBondContact O-N 2.93Å; D140-D142 PolarHBondContact O-N 2.97Å
141L69.7Low68.5Low63 Ų63109.7 Ų109.733%0.3360%0.596SS.*  trans-65.899.4168.5-94.865.6000103.7L139 W143 K146 I149L139-L141 HydrophobicContact CB-CD1 3.23Å; L139-L141 HydrophobicContact CD2-CD1 3.87Å; L139-L141 HydrophobicContact CG-CD1 4.19Å; L139-L141 PolarHBondContact O-N 2.89Å; L141-W143 PolarHBondContact O-N 3.14Å; L141-K146 HydrophobicContact CB-CB 4.46Å; L141-I149 HydrophobicContact CD2-CD1 3.41Å; L141-I149 VanDerWaalsContact CD2-CD1 3.41Å; L141-I149 HydrophobicContact CG-CD1 4.32Å
142D81.2Confident71Confident91 Ų91111 Ų11149%0.48759%0.593SS.*  trans-34.1130.6160.9166.8-110.5000109.2D140 G144 K145 K146D140-D142 PolarHBondContact O-N 2.97Å; D142-G144 CarbonylContact O-C 3.58Å; D142-G144 PolarHBondContact O-N 2.93Å; D142-G144 WeakPolarHBondContact OD1-CA 3.36Å; D142-G144 PolarHBondContact OD1-N 2.95Å; D142-G144 VanDerWaalsContact OD1-N 3.14Å; D142-K145 HydrophobicContact CB-CD 4.21Å; D142-K145 HydrophobicContact CB-CG 4.24Å; D142-K145 WeakPolarHBondContact O-CA 3.5Å; D142-K145 WeakPolarHBondContact O-CB 3.45Å; D142-K145 PolarHBondContact O-N 3.17Å; D142-K145 PolarHBondContact OD1-N 3.42Å; D142-K146 PolarHBondContact O-N 2.97Å
143W84.3Confident73.6Confident183 Ų183111.7 Ų111.769%0.69359%0.589SS**Hα-helixtrans-55.7-28.5-174.2-80.396.6000112L141 K146 V147L141-W143 PolarHBondContact O-N 3.14Å; W143-K146 HydrophobicContact CE3-CD 3.97Å; W143-K146 HydrophobicContact CZ3-CD 3.93Å; W143-K146 PolarHBondContact O-N 2.86Å; W143-V147 WeakPolarHBondContact O-CB 3.38Å; W143-V147 VanDerWaalsContact O-CG2 3.24Å; W143-V147 WeakPolarHBondContact O-CG2 3.41Å; W143-V147 PolarHBondContact O-N 3.04Å
144G85.8Confident75.7Confident32 Ų32109.5 Ų109.533%0.3357%0.57SS.*Hα-helixtrans-58.4-55.1169.200000112.1D142 K146 V147 D148D142-G144 CarbonylContact O-C 3.58Å; D142-G144 PolarHBondContact O-N 2.93Å; D142-G144 WeakPolarHBondContact OD1-CA 3.36Å; D142-G144 PolarHBondContact OD1-N 2.95Å; D142-G144 VanDerWaalsContact OD1-N 3.14Å; G144-K146 VanDerWaalsContact C-N 3.3Å; G144-K146 PolarHBondContact O-N 3.21Å; G144-V147 WeakPolarHBondContact O-CB 3.5Å; G144-V147 PolarHBondContact O-N 3.43Å; G144-V147 VanDerWaalsContact O-N 3.1Å; G144-D148 VanDerWaalsContact O-CG 3.24Å; G144-D148 PolarHBondContact O-N 2.92Å
145K86.9Confident77.9Confident123 Ų123105.6 Ų105.654%0.53556%0.555SS.*Hα-helixtrans-59.2-37.7176.1-63.5176.2-177170.90113.1D142 D148 I149D142-K145 HydrophobicContact CB-CD 4.21Å; D142-K145 HydrophobicContact CB-CG 4.24Å; D142-K145 WeakPolarHBondContact O-CA 3.5Å; D142-K145 WeakPolarHBondContact O-CB 3.45Å; D142-K145 PolarHBondContact O-N 3.17Å; D142-K145 PolarHBondContact OD1-N 3.42Å; K145-D148 PolarHBondContact O-N 3.45Å; K145-I149 WeakPolarHBondContact O-CB 3.41Å; K145-I149 WeakPolarHBondContact O-CD1 3.43Å; K145-I149 WeakPolarHBondContact O-CG1 3.41Å; K145-I149 PolarHBondContact O-N 2.85Å
146K87.4Confident79.6Confident93 Ų93101.5 Ų101.540%0.40454%0.536SS..Hα-helixtrans-65.2-42.7176.2-176.3178.6173.3-1750111L141 D142 W143 G144 D148 I149 V150L141-K146 HydrophobicContact CB-CB 4.46Å; D142-K146 PolarHBondContact O-N 2.97Å; W143-K146 HydrophobicContact CE3-CD 3.97Å; W143-K146 HydrophobicContact CZ3-CD 3.93Å; W143-K146 PolarHBondContact O-N 2.86Å; G144-K146 VanDerWaalsContact C-N 3.3Å; G144-K146 PolarHBondContact O-N 3.21Å; K146-D148 VanDerWaalsContact C-N 3.33Å; K146-I149 PolarHBondContact O-N 3.35Å; K146-V150 HydrophobicContact CG-CG2 4.46Å; K146-V150 WeakPolarHBondContact O-CB 2.99Å; K146-V150 WeakPolarHBondContact O-CG2 3.47Å; K146-V150 PolarHBondContact O-N 2.99Å
147V90.8Very high81.2Confident87 Ų8799.9 Ų99.953%0.52752%0.524SS..Hα-helixtrans-63.3-42.1174.2169.80000110.4W143 G144 I149 V150 Q151W143-V147 WeakPolarHBondContact O-CB 3.38Å; W143-V147 VanDerWaalsContact O-CG2 3.24Å; W143-V147 WeakPolarHBondContact O-CG2 3.41Å; W143-V147 PolarHBondContact O-N 3.04Å; G144-V147 WeakPolarHBondContact O-CB 3.5Å; G144-V147 PolarHBondContact O-N 3.43Å; G144-V147 VanDerWaalsContact O-N 3.1Å; V147-I149 PolarHBondContact O-N 2.97Å; V147-V150 PolarHBondContact O-N 2.93Å; V147-Q151 WeakPolarHBondContact O-CB 3.41Å; V147-Q151 PolarHBondContact O-N 3.48Å
148D92.3Very high82.6Confident105 Ų105100.7 Ų100.756%0.56152%0.523SS*.Hα-helixtrans-61.1-44.4175.9-64.9-33.7000111.7G144 K145 K146 Q151 Q152G144-D148 VanDerWaalsContact O-CG 3.24Å; G144-D148 PolarHBondContact O-N 2.92Å; K145-D148 PolarHBondContact O-N 3.45Å; K146-D148 VanDerWaalsContact C-N 3.33Å; D148-Q151 PolarHBondContact O-N 2.94Å; D148-Q152 VanDerWaalsContact O-CB 3.23Å; D148-Q152 WeakPolarHBondContact O-CB 3.34Å; D148-Q152 PolarHBondContact O-N 2.93Å
149I92.4Very high83.5Confident90 Ų90101.2 Ų101.246%0.46252%0.518SS..Hα-helixtrans-65.8-44177.2-71.1161.9000111L141 K145 K146 V147 Q152 L153L141-I149 HydrophobicContact CD2-CD1 3.41Å; L141-I149 VanDerWaalsContact CD2-CD1 3.41Å; L141-I149 HydrophobicContact CG-CD1 4.32Å; K145-I149 WeakPolarHBondContact O-CB 3.41Å; K145-I149 WeakPolarHBondContact O-CD1 3.43Å; K145-I149 WeakPolarHBondContact O-CG1 3.41Å; K145-I149 PolarHBondContact O-N 2.85Å; K146-I149 PolarHBondContact O-N 3.35Å; V147-I149 PolarHBondContact O-N 2.97Å; I149-Q152 PolarHBondContact O-N 3.29Å; I149-L153 WeakPolarHBondContact O-CB 3.42Å; I149-L153 PolarHBondContact O-N 3.31Å
150V93.8Very high83.7Confident70 Ų7098.5 Ų98.542%0.42450%0.504SS..Hα-helixtrans-64.1-44.1177.3168.90000110.2K146 V147 Q152 L153 I154K146-V150 HydrophobicContact CG-CG2 4.46Å; K146-V150 WeakPolarHBondContact O-CB 2.99Å; K146-V150 WeakPolarHBondContact O-CG2 3.47Å; K146-V150 PolarHBondContact O-N 2.99Å; V147-V150 PolarHBondContact O-N 2.93Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.43Å; V150-L153 PolarHBondContact O-N 3.49Å; V150-I154 HydrophobicContact CG1-CD1 3.77Å; V150-I154 HydrophobicContact CG1-CG1 4.4Å; V150-I154 WeakPolarHBondContact O-CB 3.38Å; V150-I154 VanDerWaalsContact O-CG1 3.23Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 3.24Å
151Q92.8Very high83.4Confident90 Ų9096.6 Ų96.642%0.42149%0.493SS..Hα-helixtrans-62.9-40176.2-174.762.679.400111.3V147 D148 L153 I154 N155V147-Q151 WeakPolarHBondContact O-CB 3.41Å; V147-Q151 PolarHBondContact O-N 3.48Å; D148-Q151 PolarHBondContact O-N 2.94Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-I154 PolarHBondContact O-N 3.27Å; Q151-N155 PolarHBondContact NE2-OD1 3.25Å; Q151-N155 WeakPolarHBondContact O-CB 3.32Å; Q151-N155 PolarHBondContact O-N 3.36Å; Q151-N155 PolarHBondContact O-ND2 3.38Å; Q151-N155 PolarHBondContact O-OD1 2.82Å
152Q93.3Very high82.7Confident137 Ų13795.9 Ų95.964%0.6450%0.502SS*.Hα-helixtrans-65.6-38.5175-173.3161.915.400111.8D148 I149 V150 N155 Q156D148-Q152 VanDerWaalsContact O-CB 3.23Å; D148-Q152 WeakPolarHBondContact O-CB 3.34Å; D148-Q152 PolarHBondContact O-N 2.93Å; I149-Q152 PolarHBondContact O-N 3.29Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.43Å; Q152-N155 PolarHBondContact O-N 3.48Å; Q152-Q156 WeakPolarHBondContact O-CB 3.19Å; Q152-Q156 PolarHBondContact O-N 3.48Å
153L92.6Very high81.1Confident103 Ų103100 Ų10054%0.53952%0.524SS..Hα-helixtrans-68.8-39.2175.7-165.271.1000111.8I149 V150 Q151 Q156 T157I149-L153 WeakPolarHBondContact O-CB 3.42Å; I149-L153 PolarHBondContact O-N 3.31Å; V150-L153 PolarHBondContact O-N 3.49Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.8Å; L153-T157 WeakPolarHBondContact O-CB 3.48Å; L153-T157 PolarHBondContact O-N 3.05Å; L153-T157 PolarHBondContact O-OG1 3.33Å
154I88.2Confident79.6Confident77 Ų7794.4 Ų94.440%0.39552%0.522SS..Hα-helixtrans-61.9-48.6172.8-69.7163.4000109.7V150 Q151 Q156 T157 L158V150-I154 HydrophobicContact CG1-CD1 3.77Å; V150-I154 HydrophobicContact CG1-CG1 4.4Å; V150-I154 WeakPolarHBondContact O-CB 3.38Å; V150-I154 VanDerWaalsContact O-CG1 3.23Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 3.24Å; Q151-I154 PolarHBondContact O-N 3.27Å; I154-Q156 VanDerWaalsContact C-N 3.32Å; I154-Q156 PolarHBondContact O-N 2.96Å; I154-T157 PolarHBondContact O-N 3.22Å; I154-L158 HydrophobicContact CG2-CD1 3.72Å; I154-L158 HydrophobicContact CG2-CG 4.26Å; I154-L158 WeakPolarHBondContact O-CB 3.48Å; I154-L158 VanDerWaalsContact O-CG 3.25Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 3.08Å
155N85.1Confident77.7Confident89 Ų8996.9 Ų96.948%0.47653%0.534SS..Hα-helixtrans-63.2-39.4179.2-68-13.8000111.6Q151 Q152 L159Q151-N155 PolarHBondContact NE2-OD1 3.25Å; Q151-N155 WeakPolarHBondContact O-CB 3.32Å; Q151-N155 PolarHBondContact O-N 3.36Å; Q151-N155 PolarHBondContact O-ND2 3.38Å; Q151-N155 PolarHBondContact O-OD1 2.82Å; Q152-N155 PolarHBondContact O-N 3.48Å; N155-L159 WeakPolarHBondContact O-CB 3.4Å; N155-L159 PolarHBondContact O-N 2.93Å; N155-L159 VanDerWaalsContact O-N 3.09Å
156Q82.1Confident76.1Confident90 Ų9096.2 Ų96.242%0.42155%0.545SS..Hα-helixtrans-63.2-49.9173.6-165.4-163.3109.200110.3Q152 L153 I154 L158 L159 L160Q152-Q156 WeakPolarHBondContact O-CB 3.19Å; Q152-Q156 PolarHBondContact O-N 3.48Å; L153-Q156 PolarHBondContact O-N 2.8Å; I154-Q156 VanDerWaalsContact C-N 3.32Å; I154-Q156 PolarHBondContact O-N 2.96Å; Q156-L158 PolarHBondContact O-N 3.37Å; Q156-L159 CarbonylContact O-C 3.58Å; Q156-L159 WeakPolarHBondContact O-CA 3.39Å; Q156-L159 WeakPolarHBondContact O-CB 3.49Å; Q156-L159 PolarHBondContact O-N 3.47Å; Q156-L159 VanDerWaalsContact O-N 3.07Å; Q156-L160 VanDerWaalsContact O-CG 3.3Å; Q156-L160 WeakPolarHBondContact O-CG 3.49Å; Q156-L160 PolarHBondContact O-N 3.26Å
157T79.4Confident74.2Confident65 Ų6596.4 Ų96.440%0.39956%0.558SS.*Hα-helixtrans-61.5-41.4-178.8-54.90000112.3L153 I154 L159 L160 N161L153-T157 WeakPolarHBondContact O-CB 3.48Å; L153-T157 PolarHBondContact O-N 3.05Å; L153-T157 PolarHBondContact O-OG1 3.33Å; I154-T157 PolarHBondContact O-N 3.22Å; T157-L159 VanDerWaalsContact C-N 3.29Å; T157-L159 PolarHBondContact O-N 2.95Å; T157-L160 PolarHBondContact O-N 2.95Å; T157-N161 PolarHBondContact O-N 3.49Å; T157-N161 PolarHBondContact O-OD1 3.27Å; T157-N161 VanDerWaalsContact O-OD1 3.12Å
158L79.6Confident72.3Confident112 Ų11299.3 Ų99.359%0.58657%0.57SS**Hα-helixtrans-65.9-34175.7-68.9172.2000111.9I154 Q156 N161I154-L158 HydrophobicContact CG2-CD1 3.72Å; I154-L158 HydrophobicContact CG2-CG 4.26Å; I154-L158 WeakPolarHBondContact O-CB 3.48Å; I154-L158 VanDerWaalsContact O-CG 3.25Å; I154-L158 WeakPolarHBondContact O-CG 3.47Å; I154-L158 PolarHBondContact O-N 3.08Å; Q156-L158 PolarHBondContact O-N 3.37Å; L158-N161 PolarHBondContact O-N 3.37Å
159L73.9Confident70.4Confident138 Ų138102 Ų10272%0.72358%0.583SS**Hα-helixtrans-71.8-30.6174.6-158.571.1000112N155 Q156 T157 N161 G162N155-L159 WeakPolarHBondContact O-CB 3.4Å; N155-L159 PolarHBondContact O-N 2.93Å; N155-L159 VanDerWaalsContact O-N 3.09Å; Q156-L159 CarbonylContact O-C 3.58Å; Q156-L159 WeakPolarHBondContact O-CA 3.39Å; Q156-L159 WeakPolarHBondContact O-CB 3.49Å; Q156-L159 PolarHBondContact O-N 3.47Å; Q156-L159 VanDerWaalsContact O-N 3.07Å; T157-L159 VanDerWaalsContact C-N 3.29Å; T157-L159 PolarHBondContact O-N 2.95Å; L159-N161 PolarHBondContact O-N 2.91Å; L159-G162 PolarHBondContact O-N 2.87Å
160L61.8Low68.2Low76 Ų76105.2 Ų105.240%0.39860%0.6SS.*Hα-helixtrans-68.8-24.2173.9-60.4171.8000112.4Q156 T157 C165Q156-L160 VanDerWaalsContact O-CG 3.3Å; Q156-L160 WeakPolarHBondContact O-CG 3.49Å; Q156-L160 PolarHBondContact O-N 3.26Å; T157-L160 PolarHBondContact O-N 2.95Å; L160-C165 WeakPolarHBondContact CA-SG 3.24Å; L160-C165 HydrophobicContact CD2-CB 4.39Å; L160-C165 WeakPolarHBondContact CD2-SG 3.49Å
161N58.2Low65.8Low114 Ų114108.6 Ų108.661%0.6162%0.615SS**THydrogen-bonded Turntrans-87.1-8.1-179.4-69.117000113.9T157 L158 L159T157-N161 PolarHBondContact O-N 3.49Å; T157-N161 PolarHBondContact O-OD1 3.27Å; T157-N161 VanDerWaalsContact O-OD1 3.12Å; L158-N161 PolarHBondContact O-N 3.37Å; L159-N161 PolarHBondContact O-N 2.91Å
162G54Low63.2Low49 Ų49110.5 Ų110.551%0.50564%0.636SS.*SBendtrans-109.697.317700000110.8L159 G164L159-G162 PolarHBondContact O-N 2.87Å; G162-G164 PolarHBondContact O-N 3.22Å
163D49.5Very low61Low177 Ų177107.5 Ų107.595%0.94764%0.641SS**SBendtrans19.287.7166.6-80.7-25.5000116.4
164G52.6Low58.7Low65 Ų65106.3 Ų106.367%0.6765%0.654SS**  trans132.659.7161.400000116.5G162 S166G162-G164 PolarHBondContact O-N 3.22Å; G164-S166 PolarHBondContact O-N 3.4Å
165C45.3Very low56.4Low84 Ų84107.7 Ų107.757%0.56868%0.677SS**  trans-69.593.6162.9-67.40000110.4L160L160-C165 WeakPolarHBondContact CA-SG 3.24Å; L160-C165 HydrophobicContact CD2-CB 4.39Å; L160-C165 WeakPolarHBondContact CD2-SG 3.49Å
166S52.3Low54.7Low110 Ų110107.7 Ų107.777%0.76970%0.698SS**  trans-95.5118.5158.5-68.80000109.2G164G164-S166 PolarHBondContact O-N 3.4Å
167S49.2Very low52.9Low97 Ų97106.9 Ų106.968%0.67871%0.714SS**SBendtrans99.220.1150.1-49.20000122.6
168L49.7Very low51.4Low147 Ų147110.2 Ų110.277%0.7773%0.734SS**SBendtrans-120.33.7168.1-68.5-179.4000116.7
169L52.2Low49.7Very low163 Ų163112.2 Ų112.285%0.85375%0.745SS**  trans-109.435.6168.3-67.6-176.9000112.8L171L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 3.01Å
170L46.8Very low48.7Very low156 Ų156108.9 Ų108.982%0.81773%0.733SS**  trans-8679.7160.2-101160.9000108
171L43Very low48Very low141 Ų141109.8 Ų109.874%0.73874%0.743SS**  trans-64.5128.3160.1-119.773.3000107.6L169 G173L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 3.01Å; L171-G173 PolarHBondContact O-N 3.47Å; L171-G173 VanDerWaalsContact O-N 3.09Å
172P39Very low47.4Very low131 Ų131111.4 Ų111.485%0.85175%0.751SS**SBendtrans-71.2108.2173.226.4-28000109
173G47.4Very low47.1Very low73 Ų73114.8 Ų114.875%0.75375%0.754SS**SBendtrans100.3109.216400000114.9L171L171-G173 PolarHBondContact O-N 3.47Å; L171-G173 VanDerWaalsContact O-N 3.09Å
174G42.6Very low47.2Very low79 Ų79110.4 Ų110.481%0.81474%0.737SS**  trans120.897.9158.600000114.5
175A41.4Very low47.1Very low106 Ų106111.9 Ų111.988%0.87674%0.737SS**  trans15.7108.8155.800000119.5
176G48.8Very low47.3Very low89 Ų89111.5 Ų111.592%0.91873%0.729SS**  66.9111127.500000119.9
177G44.8Very low47.5Very low73 Ų73115.1 Ų115.175%0.75373%0.726SS**  trans148.894.515500000114.3L179G177-L179 PolarHBondContact O-N 3.25Å
178T47.4Very low47.9Very low134 Ų134115.4 Ų115.482%0.82273%0.725SS**  trans-82.295.3169.457.30000108.7S180T178-S180 PolarHBondContact O-N 3.48Å; T178-S180 VanDerWaalsContact O-N 3.12Å
179L44.7Very low48Very low155 Ų155112.6 Ų112.681%0.81272%0.718SS**  trans-70.8107.8166.1-64.6-177.6000108G177G177-L179 PolarHBondContact O-N 3.25Å
180S51.2Low48.2Very low68 Ų68111.1 Ų111.148%0.47671%0.711SS.*  trans-60.7148178.4-103.70000111.5T178 L182 E183T178-S180 PolarHBondContact O-N 3.48Å; T178-S180 VanDerWaalsContact O-N 3.12Å; S180-L182 PolarHBondContact O-N 2.99Å; S180-E183 PolarHBondContact O-N 3.31Å
181P48.2Very low48.6Very low94 Ų94109.3 Ų109.361%0.6170%0.701SS**G310 helixtrans-56.5-15.3-178-24.232.4000115.7
182L45.3Very low49.1Very low148 Ų148107.1 Ų107.178%0.77570%0.695SS**G310 helixtrans-79.2-16.4-174.7-66.2158.5000113.9S180S180-L182 PolarHBondContact O-N 2.99Å
183E48.5Very low49.7Very low120 Ų120106.5 Ų106.556%0.56169%0.691SS**G310 helixtrans-84.5-13.3179.7-68.8-112.187.200113S180 S185S180-E183 PolarHBondContact O-N 3.31Å; E183-S185 PolarHBondContact O-N 3.49Å
184S50.8Low50Low86 Ų86110.3 Ų110.360%0.60169%0.693SS**G310 helixtrans-76.8-0.7-177.4-62.30000114.2W187S184-W187 PolarHBondContact O-NE1 3.31Å
185S49.8Very low50.6Low96 Ų96111.7 Ų111.767%0.67169%0.686SS**G310 helixtrans-108.85.9-178.7-170.40000114.1E183 P188E183-S185 PolarHBondContact O-N 3.49Å; S185-P188 WeakPolarHBondContact O-CD 3.45Å
186L49.6Very low50.9Low75 Ų75111 Ų11139%0.39367%0.673SS.*  trans-94.9-0.5-174.5-69.3166.5000114.4P188 S189 L190L186-P188 VanDerWaalsContact C-N 3.29Å; L186-S189 WeakPolarHBondContact O-CA 3.43Å; L186-S189 WeakPolarHBondContact O-CB 3.47Å; L186-S189 PolarHBondContact O-N 3.48Å; L186-S189 PolarHBondContact O-OG 3.45Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.86Å
187W57.4Low51Low187 Ų187113.2 Ų113.271%0.70867%0.671SS**THydrogen-bonded Turntrans-53.6-34.8178.2-51.676.9000114.6S184 S189S184-W187 PolarHBondContact O-NE1 3.31Å; W187-S189 VanDerWaalsContact C-N 3.28Å; W187-S189 PolarHBondContact O-N 2.97Å
188P57.3Low51.2Low102 Ų102114.9 Ų114.966%0.66267%0.671SS**THydrogen-bonded Turntrans-69.9-25174.8-18.332.6000113.4S185 L186S185-P188 WeakPolarHBondContact O-CD 3.45Å; L186-P188 VanDerWaalsContact C-N 3.29Å
189S51.7Low51.5Low89 Ų89112 Ų11262%0.62266%0.661SS**THydrogen-bonded Turntrans-90.3-16.8-174.5-33.30000113.4L186 W187 L191L186-S189 WeakPolarHBondContact O-CA 3.43Å; L186-S189 WeakPolarHBondContact O-CB 3.47Å; L186-S189 PolarHBondContact O-N 3.48Å; L186-S189 PolarHBondContact O-OG 3.45Å; W187-S189 VanDerWaalsContact C-N 3.28Å; W187-S189 PolarHBondContact O-N 2.97Å; S189-L191 VanDerWaalsContact C-N 3.33Å
190L55.5Low51.6Low132 Ų132110.7 Ų110.769%0.69166%0.659SS**SBendtrans-83.4-9.5179-68.3172.6000113L186L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.86Å
191L55.6Low51.6Low118 Ų118113.3 Ų113.362%0.61867%0.673SS**SBendtrans-80.5123.9173.6-60.6178000108.8S189S189-L191 VanDerWaalsContact C-N 3.33Å
192P53.2Low51.4Low95 Ų95114.8 Ų114.862%0.61768%0.68SS**  trans-52.9142170.7-20.229.8000109.6L194P192-L194 PolarHBondContact O-N 3.28Å
193P52.8Low51.6Low117 Ų117113 Ų11376%0.7668%0.679SS**  trans-57.5109.8175.121.6-29.8000108.8T195P193-T195 PolarHBondContact O-N 3.48Å
194L52.7Low51.7Low153 Ų153113.5 Ų113.580%0.80169%0.69SS**  trans-72.426.8-173.7-69.9173.4000113.6P192P192-L194 PolarHBondContact O-N 3.28Å
195T55.7Low51.7Low108 Ų108114.9 Ų114.966%0.66370%0.7SS**  trans-129.2101.4-178.952.70000111.4P193P193-T195 PolarHBondContact O-N 3.48Å
196P48.9Very low51.8Low92 Ų92115.6 Ų115.660%0.59771%0.705SS**  trans-63144.2148.126.2-29.4000108.7S198 A199P196-S198 PolarHBondContact O-N 3.44Å; P196-A199 PolarHBondContact O-N 3.22Å
197P50.8Low52.1Low136 Ų136120.5 Ų120.588%0.88372%0.724SS**THydrogen-bonded Turntrans-68.422.6-170.427.9-36000115.7
198S47.8Very low51.5Low108 Ų108116.5 Ų116.576%0.75572%0.724SS**THydrogen-bonded Turntrans-137.86.9178.7-59.70000114.8P196 T200P196-S198 PolarHBondContact O-N 3.44Å; S198-T200 PolarHBondContact O-N 2.98Å; S198-T200 VanDerWaalsContact O-N 3.14Å
199A53.4Low51Low73 Ų73115.7 Ų115.760%0.60372%0.719SS**  trans-74.7105.217600000110.8P196P196-A199 PolarHBondContact O-N 3.22Å
200T48.5Very low51Low127 Ų127120.7 Ų120.778%0.77973%0.733SS**  trans-98.2117.8170.9-57.50000109S198 T202S198-T200 PolarHBondContact O-N 2.98Å; S198-T200 VanDerWaalsContact O-N 3.14Å; T200-T202 PolarHBondContact O-N 2.93Å; T200-T202 VanDerWaalsContact O-N 3.13Å
201V50.1Low50.6Low124 Ų124118.6 Ų118.675%0.75273%0.734SS**  trans-72.5102175-179.90000108.4V204V201-V204 HydrophobicContact CG1-CG2 4.35Å
202T44.3Very low50.4Low125 Ų125120.3 Ų120.377%0.76775%0.75SS**  trans-99.6109.5173.8-146.20000108.3T200T200-T202 PolarHBondContact O-N 2.93Å; T200-T202 VanDerWaalsContact O-N 3.13Å
203S49Very low50.4Low109 Ų109119 Ų11976%0.76275%0.754SS**  trans76.6128.5178.879.10000118.1
204V51.6Low50.4Low131 Ų131119.5 Ų119.579%0.79476%0.76SS**  trans-117.2111165.6-172.40000105.1V201V201-V204 HydrophobicContact CG1-CG2 4.35Å
205S49.7Very low49.9Very low115 Ų115116.2 Ų116.280%0.80475%0.75SS**  trans-88.2108.8174.7-176.20000108.7F207S205-F207 PolarHBondContact O-N 3.13Å
206S53.3Low49.7Very low112 Ų112117.5 Ų117.578%0.78376%0.76SS**  trans-70.5109.4171.658.90000109.4
207F54.6Low49.7Very low177 Ų177121.1 Ų121.178%0.77677%0.769SS**  trans-92115.7168.2-176.7-100.8000108.9S205 P209S205-F207 PolarHBondContact O-N 3.13Å; F207-P209 HydrophobicContact CE1-CB 4.17Å
208S44.2Very low49.9Very low103 Ų103118 Ų11872%0.7276%0.762SS**  trans-88.3119.5167.9-79.70000109E210S208-E210 PolarHBondContact O-N 2.86Å; S208-E210 VanDerWaalsContact O-N 3.14Å
209P47.6Very low50.4Low86 Ų86121.3 Ų121.356%0.55877%0.765SS**  trans-79.410017630.9-29.6000109.1F207 A211F207-P209 HydrophobicContact CE1-CB 4.17Å; P209-A211 VanDerWaalsContact C-N 3.35Å; P209-A211 PolarHBondContact O-N 2.91Å
210E52.2Low50.4Low193 Ų193127.9 Ų127.990%0.90278%0.775SS**  trans-91.376.9161-160.986.689.900107.8S208S208-E210 PolarHBondContact O-N 2.86Å; S208-E210 VanDerWaalsContact O-N 3.14Å
211A46.3Very low51.3Low88 Ų88127.9 Ų127.973%0.72778%0.775SS**  trans-145105.9170.200000110.3P209 G213P209-A211 VanDerWaalsContact C-N 3.35Å; P209-A211 PolarHBondContact O-N 2.91Å; A211-G213 PolarHBondContact O-N 3.26Å
212T52.1Low51.9Low155 Ų155126.4 Ų126.495%0.95177%0.766SS**  trans-58.9114.6170-51.40000110.6
213G53Low53Low68 Ų68125.5 Ų125.570%0.70176%0.76SS**  trans131.9107154.100000117.6A211A211-G213 PolarHBondContact O-N 3.26Å
214S51.9Low53.9Low126 Ų126129.1 Ų129.188%0.88177%0.765SS**  trans83.298.3145.6-157.20000120.6
215S43.2Very low54.7Low85 Ų85129.9 Ų129.959%0.59476%0.764SS**  155.4135.2119.2-170.90000111.5Q217S215-Q217 VanDerWaalsContact C-N 3.27Å; S215-Q217 PolarHBondContact O-N 3.05Å; S215-Q217 VanDerWaalsContact O-N 3.13Å
216P50.5Low55.2Low134 Ų134132.4 Ų132.487%0.8776%0.762SS**  trans-89.250.5-17739.2-35.3000112
217Q50.1Low55.9Low168 Ų168131.9 Ų131.979%0.78576%0.755SS**SBendtrans-113.5120.1170.3-91.8166.5-19.300108.1S215 E219S215-Q217 VanDerWaalsContact C-N 3.27Å; S215-Q217 PolarHBondContact O-N 3.05Å; S215-Q217 VanDerWaalsContact O-N 3.13Å; Q217-E219 PolarHBondContact O-N 2.98Å
218G54Low55.4Low71 Ų71131.3 Ų131.373%0.73275%0.754SS**  trans-41.9133.1-169.900000113.8W220G218-W220 PolarHBondContact O-N 2.79Å
219E59.3Low55.7Low178 Ų178137.9 Ų137.983%0.83277%0.773SS**  trans-58.3115.7176.2-63.5176.116000109.4Q217Q217-E219 PolarHBondContact O-N 2.98Å
220W53.9Low56.1Low211 Ų211140.5 Ų140.580%0.79978%0.784SS**  trans-93.5116.1168.441.7-84.5000108G218 V222G218-W220 PolarHBondContact O-N 2.79Å; W220-V222 HydrophobicContact CE3-CG2 3.38Å; W220-V222 HydrophobicContact CH2-CG2 4.3Å; W220-V222 HydrophobicContact CZ3-CG2 3.11Å; W220-V222 PolarHBondContact O-N 3.46Å
221T65.6Low56.3Low126 Ų126137.7 Ų137.777%0.77378%0.778SS**  trans-75.2115173.9-48.30000108.9
222V63.8Low56.9Low93 Ų93140.5 Ų140.556%0.56478%0.78SS**  trans-73.1126.4169.8-175.30000108.9W220 E224W220-V222 HydrophobicContact CE3-CG2 3.38Å; W220-V222 HydrophobicContact CH2-CG2 4.3Å; W220-V222 HydrophobicContact CZ3-CG2 3.11Å; W220-V222 PolarHBondContact O-N 3.46Å; V222-E224 HydrophobicContact CG1-CG 4.23Å
223V66.8Low57.1Low106 Ų106139.6 Ų139.664%0.64277%0.77SS**  trans-111.7107.3170.8-175.80000107.4L225V223-L225 HydrophobicContact CG1-CD2 4.42Å; V223-L225 HydrophobicContact CG1-CG 4.22Å
224E68.7Low57.4Low185 Ų185144.1 Ų144.186%0.86478%0.775SS**  trans-79.1117171.3-64-173.3145.500108.7V222V222-E224 HydrophobicContact CG1-CG 4.23Å
225L68.6Low57.8Low148 Ų148145.3 Ų145.378%0.77577%0.768SS**  trans-103.5108.1178.1-73.5160.7000109V223V223-L225 HydrophobicContact CG1-CD2 4.42Å; V223-L225 HydrophobicContact CG1-CG 4.22Å
226E59.7Low58.8Low167 Ų167149.6 Ų149.678%0.7878%0.78SS**  trans-78121.6170.9-173.3170.492.100109.6H228E226-H228 IonicContact OE1-CD2 3.66Å; E226-H228 IonicContact OE1-CE1 3.89Å; E226-H228 IonicContact OE1-NE2 2.84Å; E226-H228 PolarHBondContact OE1-NE2 2.98Å
227T67.3Low59.4Low101 Ų101150.8 Ų150.862%0.6277%0.773SS**  trans-103114.1177.950.50000109.7H229T227-H229 PolarHBondContact O-CE1 3.29Å; T227-H229 PolarHBondContact O-ND1 3Å; T227-H229 VanDerWaalsContact O-ND1 3.17Å
228H45.9Very low60.2Low165 Ų165149.4 Ų149.476%0.76477%0.772SS**  trans-84.2127.3170.2-78-112000108.6E226E226-H228 IonicContact OE1-CD2 3.66Å; E226-H228 IonicContact OE1-CE1 3.89Å; E226-H228 IonicContact OE1-NE2 2.84Å; E226-H228 PolarHBondContact OE1-NE2 2.98Å
229H49.3Very low60.8Low242 Ų242156.5 Ų156.5100%1.1278%0.776SS**  trans-96.70-178-59.869.8000110.7T227T227-H229 PolarHBondContact O-CE1 3.29Å; T227-H229 PolarHBondContact O-ND1 3Å; T227-H229 VanDerWaalsContact O-ND1 3.17Å

Retrieved 229 of 229 residues in 86.9 ms (Link to these results)