A0A096M571_POEFO Loading...

Nucleolar protein 12

AlphaFold DB , UniProt , Accession A0A096M571, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.2Low53.3Low235 Ų235158.7 Ų158.7100%1.15884%0.841SS**  0138.70-67178.788.700109.5
2K51.3Low53.3Low202 Ų202154.3 Ų154.388%0.87883%0.832SS**  trans126.590.7157.1-68.4165.2-177.7178.90112.8
3N54.9Low53.4Low161 Ų161157.3 Ų157.386%0.86183%0.833SS**  trans-60.5154.4155-70.9-13.7000110.4
4P61.1Low53.6Low113 Ų113161.2 Ų161.273%0.73484%0.839SS**  trans-127.5112.5137.626.6-9.6000110.2
5K54.2Low54.3Low195 Ų195155.1 Ų155.185%0.84882%0.822SS**  90.298.993.1-79.4-179-175.6-177.80111.4
6H50.6Low54.6Low171 Ų171158.4 Ų158.479%0.79283%0.827SS**  trans-50.4134158.6-69.5-77.3000110.3
7N52.5Low54.7Low155 Ų155157.8 Ų157.883%0.82982%0.817SS**  trans-125.688.2158.2-133.22.1000107.5N9N7-N9 PolarHBondContact O-N 3.46Å
8N54Low55.4Low141 Ų141159 Ų15975%0.75481%0.814SS**  trans-8197.7168.9-73.6-19.6000107.3
9N52Low55.4Low140 Ų140158.1 Ų158.175%0.74982%0.82SS**  trans-153.1106.1158.6-108.4-24.8000109.1N7N7-N9 PolarHBondContact O-N 3.46Å
10T47.7Very low55.5Low130 Ų130153.9 Ų153.980%0.79882%0.817SS**  -175.991.1128.229.20000107.1S12T10-S12 PolarHBondContact O-N 3.16Å
11A54.7Low55.8Low103 Ų103149.7 Ų149.785%0.85180%0.8SS**  trans-57.888.1154.600000107.9K13A11-K13 PolarHBondContact O-N 3.25Å; A11-K13 VanDerWaalsContact O-N 3.11Å
12S53.4Low56.3Low105 Ų105147.7 Ų147.773%0.73479%0.785SS**  trans-81.492.6174.149.80000108.3T10T10-S12 PolarHBondContact O-N 3.16Å
13K54.9Low56.9Low194 Ų194146.6 Ų146.684%0.84378%0.78SS**  trans20.6108.8145.9-58.6179.6-178178.50114.5A11 A15A11-K13 PolarHBondContact O-N 3.25Å; A11-K13 VanDerWaalsContact O-N 3.11Å; K13-A15 PolarHBondContact O-N 3.35Å
14K56Low57.5Low212 Ų212150.1 Ų150.192%0.92278%0.782SS**  trans-55.599.9163.9-70.3-162.2178.3-175.70109.1K16K14-K16 PolarHBondContact O-N 3.1Å
15A63.5Low57.9Low70 Ų70153.5 Ų153.558%0.57979%0.787SS**  trans-64.8121.6170.600000108K13 F17K13-A15 PolarHBondContact O-N 3.35Å; A15-F17 WeakPolarHBondContact O-CD2 3.33Å; A15-F17 PolarHBondContact O-N 3.2Å
16K59.9Low58.8Low208 Ų208151.7 Ų151.790%0.90479%0.787SS**  trans-66.497.1172.9-64.4-172.3-178.5-178.90107.9K14 K18K14-K16 PolarHBondContact O-N 3.1Å; K16-K18 PolarHBondContact O-N 3.31Å
17F56.3Low60.1Low148 Ų148152.8 Ų152.865%0.64979%0.79SS**  trans-64130.8171.9-74.6-83.4000109A15A15-F17 WeakPolarHBondContact O-CD2 3.33Å; A15-F17 PolarHBondContact O-N 3.2Å
18K67.6Low61.2Low179 Ų179151 Ų15178%0.77879%0.788SS**  trans-62132.2173.9-69.1-178.8178-179.40108.7K16 G20 S21K16-K18 PolarHBondContact O-N 3.31Å; K18-G20 PolarHBondContact O-N 3.07Å; K18-S21 PolarHBondContact O-N 3.35Å; K18-S21 VanDerWaalsContact O-N 3.16Å; K18-S21 PolarHBondContact O-OG 3.28Å
19P55.5Low62.3Low142 Ų142149.4 Ų149.492%0.92278%0.783SS**THydrogen-bonded Turntrans-66.9101177.628.7-32.5000108.1
20G57.4Low63.7Low74 Ų74147.9 Ų147.976%0.76378%0.779SS**THydrogen-bonded Turntrans145.5-23.3-173.300000113.7K18 K22K18-G20 PolarHBondContact O-N 3.07Å; G20-K22 PolarHBondContact O-N 3.22Å
21S60.7Low65.4Low66 Ų66148.8 Ų148.846%0.46278%0.776SS.*  trans-85.556.8171.271.60000110.8K18 K23K18-S21 PolarHBondContact O-N 3.35Å; K18-S21 VanDerWaalsContact O-N 3.16Å; K18-S21 PolarHBondContact O-OG 3.28Å; S21-K23 PolarHBondContact O-N 3.01Å; S21-K23 VanDerWaalsContact O-N 3.1Å
22K64.5Low67Low192 Ų192151.3 Ų151.384%0.83577%0.768SS**  trans-59.4118.2161-71-175.3-179.4179.80105.2G20 R24G20-K22 PolarHBondContact O-N 3.22Å; K22-R24 VanDerWaalsContact C-N 3.32Å; K22-R24 PolarHBondContact O-N 3.29Å
23K64.2Low68.8Low180 Ų180152 Ų15278%0.78376%0.763SS**  trans-53.4102.4173-68.3-178.5-179.4-177.60105.7S21 E25S21-K23 PolarHBondContact O-N 3.01Å; S21-K23 VanDerWaalsContact O-N 3.1Å; K23-E25 PolarHBondContact O-N 3.22Å
24R66.1Low70.5Confident235 Ų235148.2 Ų148.289%0.88775%0.752SS**  trans-58.4111.3171-69.5-175.9177.5-169.1-1.5103.7K22 N26K22-R24 VanDerWaalsContact C-N 3.32Å; K22-R24 PolarHBondContact O-N 3.29Å; R24-N26 PolarHBondContact O-N 3.19Å; R24-N26 VanDerWaalsContact O-N 3.12Å
25E70.9Confident72.2Confident183 Ų183146 Ų14686%0.85574%0.742SS**PPolyproline II helixtrans-50.1126.4179-68.1175.8178.500107K23 K27K23-E25 PolarHBondContact O-N 3.22Å; E25-K27 PolarHBondContact O-N 3.06Å
26N73.4Confident73.5Confident158 Ų158147.8 Ų147.885%0.84574%0.742SS**PPolyproline II helixtrans-54.1133.7-176.2-64.4-37.7000107.8R24 C28R24-N26 PolarHBondContact O-N 3.19Å; R24-N26 VanDerWaalsContact O-N 3.12Å; N26-C28 PolarHBondContact O-N 2.95Å; N26-C28 VanDerWaalsContact O-N 3.17Å
27K76.8Confident75Confident193 Ų193144.3 Ų144.384%0.83972%0.724SS**PPolyproline II helixtrans-50.6126.3178.9-62.7176.5-178.4178.50108.7E25 V29E25-K27 PolarHBondContact O-N 3.06Å; K27-V29 PolarHBondContact O-N 3.48Å
28C75.8Confident76.7Confident117 Ų117143.4 Ų143.479%0.79172%0.721SS**  trans-67.2103.8174-175.70000108N26 V30N26-C28 PolarHBondContact O-N 2.95Å; N26-C28 VanDerWaalsContact O-N 3.17Å; C28-V30 PolarHBondContact O-N 3.28Å
29V77Confident77.8Confident109 Ų109138.5 Ų138.566%0.66170%0.704SS**  trans-84.4104.3175.1-174.20000107.1K27 M31K27-V29 PolarHBondContact O-N 3.48Å; V29-M31 HydrophobicContact CG1-CG 3.79Å; V29-M31 HydrophobicContact CG1-SD 3.71Å; V29-M31 PolarHBondContact O-N 3.07Å; V29-M31 VanDerWaalsContact O-N 3.13Å
30V82.1Confident79.5Confident108 Ų108139 Ų13966%0.65569%0.688SS**  trans-78.595172.5-178.40000107.5C28C28-V30 PolarHBondContact O-N 3.28Å
31M82.9Confident81.2Confident148 Ų148139.5 Ų139.573%0.72967%0.673SS**PPolyproline II helixtrans-92.6136.1167.8-66.7-49.9-47.400109.3V29V29-M31 HydrophobicContact CG1-CG 3.79Å; V29-M31 HydrophobicContact CG1-SD 3.71Å; V29-M31 PolarHBondContact O-N 3.07Å; V29-M31 VanDerWaalsContact O-N 3.13Å
32F87.4Confident82.8Confident156 Ų156141.4 Ų141.468%0.68468%0.682SS**PPolyproline II helixtrans-79.4138.1168.5-64.1-75.5000109D34F32-D34 PolarHBondContact O-N 3.14Å
33D92.4Very high84.2Confident120 Ų120132.5 Ų132.564%0.64264%0.644SS**PPolyproline II helixtrans-66.1124.1165.5-93-30.6000109.2K35 D36 R37D33-K35 PolarHBondContact O-N 3.33Å; D33-D36 HydrophobicContact CB-CB 4.29Å; D33-D36 PolarHBondContact O-N 3.13Å; D33-R37 WeakPolarHBondContact O-CB 3.35Å; D33-R37 PolarHBondContact O-N 3.17Å
34D90.9Very high85.6Confident114 Ų114129.5 Ų129.561%0.6163%0.632SS**Hα-helixtrans-61.9-28-175.6-77.2-39000112.7F32 Q38F32-D34 PolarHBondContact O-N 3.14Å; D34-Q38 WeakPolarHBondContact O-CB 3.42Å; D34-Q38 VanDerWaalsContact O-CG 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.26Å; D34-Q38 PolarHBondContact O-N 3.07Å
35K90.9Very high87Confident166 Ų166124.4 Ų124.472%0.72262%0.617SS**Hα-helixtrans-68.1-50.3175.9-65.3176.8-176.6171.80111.2D33 R37 Q38 D39D33-K35 PolarHBondContact O-N 3.33Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 3.45Å; K35-Q38 WeakPolarHBondContact O-CB 3.26Å; K35-Q38 PolarHBondContact O-N 3.26Å; K35-Q38 VanDerWaalsContact O-N 3.08Å; K35-D39 PolarHBondContact O-N 3.34Å
36D91.1Very high88.2Confident108 Ų108121.1 Ų121.158%0.57860%0.601SS**Hα-helixtrans-63.4-36.3176.4-72.1-4.6000111D33 D39 Y40D33-D36 HydrophobicContact CB-CB 4.29Å; D33-D36 PolarHBondContact O-N 3.13Å; D36-D39 PolarHBondContact O-N 3.1Å; D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.33Å
37R90.8Very high89.2Confident135 Ų135116.2 Ų116.251%0.50957%0.57SS.*Hα-helixtrans-62.4-43.9172.3-176.3176.9176.1-82.9-2.4111.7D33 K35 Y40 L41D33-R37 WeakPolarHBondContact O-CB 3.35Å; D33-R37 PolarHBondContact O-N 3.17Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 3.45Å; R37-Y40 PolarHBondContact O-N 2.74Å; R37-L41 HydrophobicContact CG-CD1 4.07Å; R37-L41 WeakPolarHBondContact O-CB 3.38Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.36Å; R37-L41 PolarHBondContact O-N 3.41Å
38Q91.6Very high90.1Very high128 Ų128111.9 Ų111.960%0.59855%0.551SS**Hα-helixtrans-65.5-43.8176.5-79-177.15.600112.1D34 K35 Y40 L41 T42D34-Q38 WeakPolarHBondContact O-CB 3.42Å; D34-Q38 VanDerWaalsContact O-CG 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.26Å; D34-Q38 PolarHBondContact O-N 3.07Å; K35-Q38 WeakPolarHBondContact O-CB 3.26Å; K35-Q38 PolarHBondContact O-N 3.26Å; K35-Q38 VanDerWaalsContact O-N 3.08Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 2.99Å; Q38-L41 PolarHBondContact O-N 3.39Å; Q38-T42 WeakPolarHBondContact O-CB 3.45Å; Q38-T42 WeakPolarHBondContact O-CG2 3.42Å; Q38-T42 PolarHBondContact O-N 3.04Å; Q38-T42 PolarHBondContact O-OG1 3.34Å
39D91.9Very high91.1Very high77 Ų77109 Ų10941%0.41253%0.527SS..Hα-helixtrans-65.1-36.2175-98.7-40.8000111.6K35 D36 G43 K46K35-D39 PolarHBondContact O-N 3.34Å; D36-D39 PolarHBondContact O-N 3.1Å; D39-G43 WeakPolarHBondContact O-CA 3.4Å; D39-G43 PolarHBondContact O-N 3.48Å; D39-K46 IonicContact OD1-NZ 2.65Å; D39-K46 PolarHBondContact OD1-NZ 3.21Å
40Y90.5Very high92Very high153 Ų153109.1 Ų109.160%0.652%0.521SS*.Hα-helixtrans-63.9-46.8172.6-177.5-97.7000111D36 R37 Q38 R47D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.33Å; R37-Y40 PolarHBondContact O-N 2.74Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 2.99Å; Y40-R47 PolarHBondContact O-NH1 2.76Å; Y40-R47 PolarHBondContact O-NH2 3.22Å
41L94.1Very high92.7Very high83 Ų83111.6 Ų111.644%0.43552%0.518SS..Hα-helixtrans-72.2-33.1-178.3-71173000113.7R37 Q38 F44R37-L41 HydrophobicContact CG-CD1 4.07Å; R37-L41 WeakPolarHBondContact O-CB 3.38Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.36Å; R37-L41 PolarHBondContact O-N 3.41Å; Q38-L41 PolarHBondContact O-N 3.39Å; L41-F44 WeakPolarHBondContact O-CD2 3.36Å; L41-F44 WeakPolarHBondContact O-CE2 3.47Å
42T93.2Very high93.3Very high107 Ų107112.1 Ų112.166%0.65651%0.512SS*.Hα-helixtrans-99.5-24.4-17762.10000112.9Q38 F44Q38-T42 WeakPolarHBondContact O-CB 3.45Å; Q38-T42 WeakPolarHBondContact O-CG2 3.42Å; Q38-T42 PolarHBondContact O-N 3.04Å; Q38-T42 PolarHBondContact O-OG1 3.34Å; T42-F44 PolarHBondContact O-N 3.12Å
43G94.3Very high93.8Very high4 Ų4110.6 Ų110.64%0.04151%0.505CS..THydrogen-bonded Turntrans-76.220.1-174.100000116.1D39 H45 K46 R47D39-G43 WeakPolarHBondContact O-CA 3.4Å; D39-G43 PolarHBondContact O-N 3.48Å; G43-H45 PolarHBondContact O-N 3.09Å; G43-K46 WeakPolarHBondContact O-CB 3.49Å; G43-K46 PolarHBondContact O-N 3.36Å; G43-K46 VanDerWaalsContact O-N 3.09Å; G43-R47 PolarHBondContact O-N 3.48Å
44F94.6Very high94Very high118 Ų118107.4 Ų107.452%0.51850%0.496SS..Hα-helixtrans-57.3-35.8177.2-74.6-79.5000112.9L41 T42 K48L41-F44 WeakPolarHBondContact O-CD2 3.36Å; L41-F44 WeakPolarHBondContact O-CE2 3.47Å; T42-F44 PolarHBondContact O-N 3.12Å; F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 2.92Å; F44-K48 PolarHBondContact O-N 3.47Å
45H94.8Very high94.3Very high127 Ų127104.2 Ų104.259%0.58849%0.485SS*.Hα-helixtrans-67.5-43.1175.8-167.373.3000111.6G43 K48 I49G43-H45 PolarHBondContact O-N 3.09Å; H45-K48 PolarHBondContact O-N 3.03Å; H45-I49 VanDerWaalsContact CD2-CD1 3.47Å; H45-I49 WeakPolarHBondContact CD2-CD1 3.44Å; H45-I49 VanDerWaalsContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact O-CG1 3.5Å; H45-I49 PolarHBondContact O-N 3.13Å
46K94.8Very high94.6Very high115 Ų11599.9 Ų99.950%0.547%0.472SS..Hα-helixtrans-56.1-54.2174.2-59.5178.9-179.5174.10110.3D39 G43 K48 I49 E50D39-K46 IonicContact OD1-NZ 2.65Å; D39-K46 PolarHBondContact OD1-NZ 3.21Å; G43-K46 WeakPolarHBondContact O-CB 3.49Å; G43-K46 PolarHBondContact O-N 3.36Å; G43-K46 VanDerWaalsContact O-N 3.09Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.09Å; K46-I49 WeakPolarHBondContact O-CB 3.04Å; K46-I49 PolarHBondContact O-N 2.83Å; K46-E50 WeakPolarHBondContact O-CG 3.34Å; K46-E50 PolarHBondContact O-N 2.92Å
47R94.5Very high94.8Very high54 Ų5499.9 Ų99.920%0.20447%0.469CS..Hα-helixtrans-60.7-33177.3-69.4-167.9-64.2-81.15.3114.2Y40 G43 E50 R51Y40-R47 PolarHBondContact O-NH1 2.76Å; Y40-R47 PolarHBondContact O-NH2 3.22Å; G43-R47 PolarHBondContact O-N 3.48Å; R47-E50 WeakPolarHBondContact CA-OE2 3.13Å; R47-R51 WeakPolarHBondContact O-CB 3.13Å; R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 2.88Å; R47-R51 VanDerWaalsContact O-N 3.09Å; R47-R51 PolarHBondContact O-NE 3.45Å
48K97.2Very high95.1Very high103 Ų10398.4 Ų98.445%0.44847%0.468SS..Hα-helixtrans-70.5-40.1176.7-177178.6-68.1177.40110.7F44 H45 K46 R52F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 2.92Å; F44-K48 PolarHBondContact O-N 3.47Å; H45-K48 PolarHBondContact O-N 3.03Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.09Å; K48-R52 VanDerWaalsContact O-CG 3.27Å; K48-R52 WeakPolarHBondContact O-CG 3.3Å; K48-R52 PolarHBondContact O-N 3.33Å
49I95.9Very high95.3Very high56 Ų5697.1 Ų97.129%0.28746%0.464SS..Hα-helixtrans-67.2-46.4174.9-70.8170.6000110.2H45 K46 R51 R52 K53H45-I49 VanDerWaalsContact CD2-CD1 3.47Å; H45-I49 WeakPolarHBondContact CD2-CD1 3.44Å; H45-I49 VanDerWaalsContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact O-CG1 3.5Å; H45-I49 PolarHBondContact O-N 3.13Å; K46-I49 WeakPolarHBondContact O-CB 3.04Å; K46-I49 PolarHBondContact O-N 2.83Å; I49-R51 PolarHBondContact O-N 3.25Å; I49-R52 CarbonylContact O-C 3.38Å; I49-R52 WeakPolarHBondContact O-CB 3.29Å; I49-R52 PolarHBondContact O-N 2.99Å; I49-R52 VanDerWaalsContact O-N 3.08Å; I49-K53 HydrophobicContact CG2-CD 3.88Å; I49-K53 HydrophobicContact CG2-CG 4.1Å; I49-K53 WeakPolarHBondContact O-CG 2.99Å; I49-K53 PolarHBondContact O-N 3.02Å
50E95.1Very high95.5Very high111 Ų11199.5 Ų99.552%0.51947%0.471SS..Hα-helixtrans-55.7-50.1178-74.3159.9-162.200111.7K46 R47 R52 K53 A54K46-E50 WeakPolarHBondContact O-CG 3.34Å; K46-E50 PolarHBondContact O-N 2.92Å; R47-E50 WeakPolarHBondContact CA-OE2 3.13Å; E50-R52 VanDerWaalsContact C-N 3.28Å; E50-R52 PolarHBondContact O-N 2.88Å; E50-K53 PolarHBondContact O-N 3.02Å; E50-K53 VanDerWaalsContact O-N 3.13Å; E50-A54 WeakPolarHBondContact O-CB 3.47Å; E50-A54 PolarHBondContact O-N 3.03Å
51R97.5Very high95.9Very high160 Ų16098.5 Ų98.560%0.60447%0.469SS*.Hα-helixtrans-58.4-39.5175.6-77.1178.6-79.8163.6-13.2112.8R47 I49 A55R47-R51 WeakPolarHBondContact O-CB 3.13Å; R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 2.88Å; R47-R51 VanDerWaalsContact O-N 3.09Å; R47-R51 PolarHBondContact O-NE 3.45Å; I49-R51 PolarHBondContact O-N 3.25Å; R51-A55 WeakPolarHBondContact O-CB 3.25Å; R51-A55 PolarHBondContact O-N 3.22Å; R51-A55 VanDerWaalsContact O-N 3.08Å
52R96.5Very high96Very high160 Ų16099.8 Ų99.860%0.60447%0.472SS*.Hα-helixtrans-67.2-41.9176.1-73.5171.7179.4179.5-1.3111.8K48 I49 E50 V56K48-R52 VanDerWaalsContact O-CG 3.27Å; K48-R52 WeakPolarHBondContact O-CG 3.3Å; K48-R52 PolarHBondContact O-N 3.33Å; I49-R52 CarbonylContact O-C 3.38Å; I49-R52 WeakPolarHBondContact O-CB 3.29Å; I49-R52 PolarHBondContact O-N 2.99Å; I49-R52 VanDerWaalsContact O-N 3.08Å; E50-R52 VanDerWaalsContact C-N 3.28Å; E50-R52 PolarHBondContact O-N 2.88Å; R52-V56 VanDerWaalsContact O-CG2 3.26Å; R52-V56 WeakPolarHBondContact O-CG2 3.43Å; R52-V56 PolarHBondContact O-N 3.16Å
53K97.4Very high96.1Very high123 Ų12399 Ų9954%0.53546%0.462SS..Hα-helixtrans-63.6-48.2177.1-74.1-179.2174.9-176.50110.6I49 E50 A55 V56 E57I49-K53 HydrophobicContact CG2-CD 3.88Å; I49-K53 HydrophobicContact CG2-CG 4.1Å; I49-K53 WeakPolarHBondContact O-CG 2.99Å; I49-K53 PolarHBondContact O-N 3.02Å; E50-K53 PolarHBondContact O-N 3.02Å; E50-K53 VanDerWaalsContact O-N 3.13Å; K53-A55 PolarHBondContact O-N 3.25Å; K53-V56 PolarHBondContact O-N 3.03Å; K53-V56 VanDerWaalsContact O-N 3.08Å; K53-E57 WeakPolarHBondContact O-CB 3.46Å; K53-E57 WeakPolarHBondContact O-CG 3.45Å; K53-E57 PolarHBondContact O-N 3.49Å
54A96.8Very high96.3Very high54 Ų54106 Ų10645%0.44649%0.491SS..Hα-helixtrans-56.6-47.1176.900000112E50 V56 E57 E58E50-A54 WeakPolarHBondContact O-CB 3.47Å; E50-A54 PolarHBondContact O-N 3.03Å; A54-V56 VanDerWaalsContact C-N 3.33Å; A54-V56 PolarHBondContact O-N 3.07Å; A54-E57 PolarHBondContact O-N 2.83Å; A54-E58 WeakPolarHBondContact O-CB 3.49Å; A54-E58 PolarHBondContact O-N 3.21Å
55A95.9Very high96.3Very high47 Ų47105.3 Ų105.339%0.38849%0.49SS..Hα-helixtrans-62.7-38.7176.600000112.6R51 K53 I59R51-A55 WeakPolarHBondContact O-CB 3.25Å; R51-A55 PolarHBondContact O-N 3.22Å; R51-A55 VanDerWaalsContact O-N 3.08Å; K53-A55 PolarHBondContact O-N 3.25Å; A55-I59 WeakPolarHBondContact O-CD1 3.41Å; A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.26Å; A55-I59 PolarHBondContact O-N 3.43Å; A55-I59 VanDerWaalsContact O-N 3.12Å
56V97.3Very high96.4Very high74 Ų74104.5 Ų104.545%0.44849%0.486SS..Hα-helixtrans-67.8-40.6176.2168.60000111.4R52 K53 A54 I59 K60R52-V56 VanDerWaalsContact O-CG2 3.26Å; R52-V56 WeakPolarHBondContact O-CG2 3.43Å; R52-V56 PolarHBondContact O-N 3.16Å; K53-V56 PolarHBondContact O-N 3.03Å; K53-V56 VanDerWaalsContact O-N 3.08Å; A54-V56 VanDerWaalsContact C-N 3.33Å; A54-V56 PolarHBondContact O-N 3.07Å; V56-I59 PolarHBondContact O-N 3.24Å; V56-K60 HydrophobicContact CG1-CD 4.16Å; V56-K60 WeakPolarHBondContact O-CB 3.11Å; V56-K60 VanDerWaalsContact O-CG 3.29Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.06Å
57E97.1Very high96.4Very high108 Ų108103.5 Ų103.551%0.50548%0.484SS..Hα-helixtrans-66.6-41.3177.6-74.4169.8-162.200111.8K53 A54 I59 K60 K61K53-E57 WeakPolarHBondContact O-CB 3.46Å; K53-E57 WeakPolarHBondContact O-CG 3.45Å; K53-E57 PolarHBondContact O-N 3.49Å; A54-E57 PolarHBondContact O-N 2.83Å; E57-I59 PolarHBondContact O-N 3.2Å; E57-K60 PolarHBondContact O-N 3.1Å; E57-K61 WeakPolarHBondContact O-CG 3.37Å; E57-K61 PolarHBondContact O-N 2.97Å
58E96.6Very high96.4Very high105 Ų105103.4 Ų103.449%0.49149%0.491SS..Hα-helixtrans-60.6-44.9174.3-167.9-168.3154.800111.5A54 K60 K61 K62A54-E58 WeakPolarHBondContact O-CB 3.49Å; A54-E58 PolarHBondContact O-N 3.21Å; E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 2.87Å; E58-K61 PolarHBondContact O-N 3.17Å; E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 2.72Å; E58-K62 WeakPolarHBondContact OE1-CE 3.5Å; E58-K62 IonicContact OE1-NZ 2.69Å; E58-K62 PolarHBondContact OE1-NZ 2.97Å
59I95.6Very high96.3Very high101 Ų101105.2 Ų105.252%0.51850%0.495SS..Hα-helixtrans-62.2-43.2175.5-68.3165.7000110.9A55 V56 E57 K61 K62 I63A55-I59 WeakPolarHBondContact O-CD1 3.41Å; A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.26Å; A55-I59 PolarHBondContact O-N 3.43Å; A55-I59 VanDerWaalsContact O-N 3.12Å; V56-I59 PolarHBondContact O-N 3.24Å; E57-I59 PolarHBondContact O-N 3.2Å; I59-K61 VanDerWaalsContact C-N 3.35Å; I59-K61 PolarHBondContact O-N 2.64Å; I59-K62 PolarHBondContact O-N 2.98Å; I59-I63 HydrophobicContact CG2-CD1 3.9Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.24Å
60K96.8Very high96.2Very high126 Ų126106.1 Ų106.155%0.54850%0.503SS..Hα-helixtrans-62.7-40.2177.4-76.3175178.5-176.80112.2V56 E57 E58 I63 K64V56-K60 HydrophobicContact CG1-CD 4.16Å; V56-K60 WeakPolarHBondContact O-CB 3.11Å; V56-K60 VanDerWaalsContact O-CG 3.29Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.06Å; E57-K60 PolarHBondContact O-N 3.1Å; E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 2.87Å; K60-I63 PolarHBondContact O-N 3.23Å; K60-K64 WeakPolarHBondContact O-CG 3.26Å; K60-K64 PolarHBondContact O-N 2.81Å
61K97.1Very high96.2Very high132 Ų132108.5 Ų108.557%0.57451%0.507SS*.Hα-helixtrans-61.4-49.9176.3-75.8179.8179.4-1740110.9E57 E58 I59 I63 K64 E65E57-K61 WeakPolarHBondContact O-CG 3.37Å; E57-K61 PolarHBondContact O-N 2.97Å; E58-K61 PolarHBondContact O-N 3.17Å; I59-K61 VanDerWaalsContact C-N 3.35Å; I59-K61 PolarHBondContact O-N 2.64Å; K61-I63 VanDerWaalsContact C-N 3.31Å; K61-I63 PolarHBondContact O-N 3.11Å; K61-K64 PolarHBondContact O-N 2.69Å; K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.84Å
62K97Very high96Very high111 Ų111105.1 Ų105.148%0.48350%0.498SS..Hα-helixtrans-56.7-43.2176.5-69.1178-175.1172.50112.4E58 I59 K64 E65 E66E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 2.72Å; E58-K62 WeakPolarHBondContact OE1-CE 3.5Å; E58-K62 IonicContact OE1-NZ 2.69Å; E58-K62 PolarHBondContact OE1-NZ 2.97Å; I59-K62 PolarHBondContact O-N 2.98Å; K62-K64 PolarHBondContact O-N 3.34Å; K62-E65 PolarHBondContact O-N 3.33Å; K62-E66 VanDerWaalsContact O-CG 3.32Å; K62-E66 WeakPolarHBondContact O-CG 3.44Å; K62-E66 PolarHBondContact O-N 3.15Å
63I96.1Very high95.9Very high90 Ų90102.8 Ų102.846%0.46249%0.494SS..Hα-helixtrans-63.1-42.3176.8-67.5166.2000111.5I59 K60 K61 Q67I59-I63 HydrophobicContact CG2-CD1 3.9Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.24Å; K60-I63 PolarHBondContact O-N 3.23Å; K61-I63 VanDerWaalsContact C-N 3.31Å; K61-I63 PolarHBondContact O-N 3.11Å; I63-Q67 VanDerWaalsContact O-CG 3.3Å; I63-Q67 WeakPolarHBondContact O-CG 3.42Å; I63-Q67 PolarHBondContact O-N 3.12Å
64K97.3Very high95.7Very high150 Ų150105.2 Ų105.265%0.65250%0.5SS*.Hα-helixtrans-66.4-41.7178.6-75.9-177.7174.5-168.50112.1K60 K61 K62 Q67 S68K60-K64 WeakPolarHBondContact O-CG 3.26Å; K60-K64 PolarHBondContact O-N 2.81Å; K61-K64 PolarHBondContact O-N 2.69Å; K62-K64 PolarHBondContact O-N 3.34Å; K64-Q67 PolarHBondContact O-N 3.44Å; K64-S68 PolarHBondContact O-N 2.72Å
65E96Very high95.6Very high104 Ų104108.3 Ų108.349%0.48651%0.505SS..Hα-helixtrans-61.5-47177.3-73.4163.2-160.700111.1K61 K62 Q67 S68 R69K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.84Å; K62-E65 PolarHBondContact O-N 3.33Å; E65-Q67 VanDerWaalsContact C-N 3.33Å; E65-Q67 PolarHBondContact O-N 3.08Å; E65-S68 PolarHBondContact O-N 3.39Å; E65-S68 VanDerWaalsContact O-N 3.17Å; E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 2.8Å
66E95Very high95.5Very high110 Ų110112.4 Ų112.451%0.51451%0.514SS..Hα-helixtrans-60.9-41.4174.8-69.7-62151.700111.9K62 S68 R69 V70K62-E66 VanDerWaalsContact O-CG 3.32Å; K62-E66 WeakPolarHBondContact O-CG 3.44Å; K62-E66 PolarHBondContact O-N 3.15Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.02Å; E66-R69 PolarHBondContact O-N 2.84Å; E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 2.76Å; E66-V70 VanDerWaalsContact O-N 3.09Å
67Q94.8Very high95.2Very high95 Ų95115.1 Ų115.144%0.44452%0.522SS..Hα-helixtrans-65.8-35.5175-74.8179.3-2.700113.2I63 K64 E65 R71I63-Q67 VanDerWaalsContact O-CG 3.3Å; I63-Q67 WeakPolarHBondContact O-CG 3.42Å; I63-Q67 PolarHBondContact O-N 3.12Å; K64-Q67 PolarHBondContact O-N 3.44Å; E65-Q67 VanDerWaalsContact C-N 3.33Å; E65-Q67 PolarHBondContact O-N 3.08Å; Q67-R71 WeakPolarHBondContact O-CG 3.45Å; Q67-R71 PolarHBondContact O-N 3.06Å; Q67-R71 PolarHBondContact O-NE 3.09Å
68S94.5Very high94.9Very high51 Ų51116.7 Ų116.736%0.35752%0.524SS..Hα-helixtrans-66.8-47.5176.3-158.90000110.1K64 E65 E66 V70 R71 E72K64-S68 PolarHBondContact O-N 2.72Å; E65-S68 PolarHBondContact O-N 3.39Å; E65-S68 VanDerWaalsContact O-N 3.17Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.02Å; S68-V70 PolarHBondContact O-N 3.4Å; S68-R71 WeakPolarHBondContact O-CB 3.45Å; S68-R71 PolarHBondContact O-N 3.13Å; S68-R71 VanDerWaalsContact O-N 3.08Å; S68-E72 WeakPolarHBondContact O-CB 3.2Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 2.8Å; S68-E72 PolarHBondContact OG-OE1 3.3Å
69R95.6Very high94.8Very high142 Ų142113.7 Ų113.754%0.53651%0.513SS..Hα-helixtrans-55.7-49.5177.7-75.4-178.7177.5-175.3-2.5112.3E65 E66 R71 E72 E73E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 2.8Å; E66-R69 PolarHBondContact O-N 2.84Å; R69-R71 VanDerWaalsContact C-N 3.27Å; R69-R71 PolarHBondContact O-N 2.89Å; R69-E72 PolarHBondContact O-N 3.27Å; R69-E73 WeakPolarHBondContact O-CB 3.3Å; R69-E73 WeakPolarHBondContact O-CG 3.33Å; R69-E73 PolarHBondContact O-N 2.85Å
70V94.8Very high94.7Very high74 Ų74114.9 Ų114.945%0.44851%0.514SS..Hα-helixtrans-61.1-37.1178.6171.70000111.9E66 S68 R74E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 2.76Å; E66-V70 VanDerWaalsContact O-N 3.09Å; S68-V70 PolarHBondContact O-N 3.4Å; V70-R74 WeakPolarHBondContact O-CB 3.32Å; V70-R74 PolarHBondContact O-N 3.08Å
71R94.8Very high94.3Very high161 Ų161113.5 Ų113.561%0.60851%0.511SS*.Hα-helixtrans-70.1-42.8176.2-74.4-178-128.1175.8-0.9111.8Q67 S68 R69 R74 H75Q67-R71 WeakPolarHBondContact O-CG 3.45Å; Q67-R71 PolarHBondContact O-N 3.06Å; Q67-R71 PolarHBondContact O-NE 3.09Å; S68-R71 WeakPolarHBondContact O-CB 3.45Å; S68-R71 PolarHBondContact O-N 3.13Å; S68-R71 VanDerWaalsContact O-N 3.08Å; R69-R71 VanDerWaalsContact C-N 3.27Å; R69-R71 PolarHBondContact O-N 2.89Å; R71-R74 PolarHBondContact O-N 3.22Å; R71-H75 VanDerWaalsContact O-CB 3.3Å; R71-H75 WeakPolarHBondContact O-CB 3.39Å; R71-H75 PolarHBondContact O-N 3.22Å
72E94.2Very high94Very high89 Ų89110.6 Ų110.642%0.41650%0.502SS..Hα-helixtrans-65.2-41.6178.6-73.7166.2-142.100111.7S68 R69 H75 K76S68-E72 WeakPolarHBondContact O-CB 3.2Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 2.8Å; S68-E72 PolarHBondContact OG-OE1 3.3Å; R69-E72 PolarHBondContact O-N 3.27Å; E72-H75 PolarHBondContact O-N 3.08Å; E72-K76 WeakPolarHBondContact O-CB 3.48Å; E72-K76 WeakPolarHBondContact O-CG 3.45Å; E72-K76 PolarHBondContact O-N 3.2Å
73E93.2Very high93.7Very high111 Ų111111.8 Ų111.852%0.51951%0.507SS..Hα-helixtrans-60-51174.3-74.3168.1-176.100110.7R69 H75 K76 E77R69-E73 WeakPolarHBondContact O-CB 3.3Å; R69-E73 WeakPolarHBondContact O-CG 3.33Å; R69-E73 PolarHBondContact O-N 2.85Å; E73-H75 VanDerWaalsContact C-N 3.29Å; E73-H75 PolarHBondContact O-N 3.05Å; E73-K76 PolarHBondContact O-N 2.96Å; E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å
74R94.1Very high93.4Very high175 Ų175111.1 Ų111.166%0.6650%0.502SS*.Hα-helixtrans-58.7-41.3175.6-171.9-168.3-59.2-175.4-2.2112.3V70 R71 E77 Y78V70-R74 WeakPolarHBondContact O-CB 3.32Å; V70-R74 PolarHBondContact O-N 3.08Å; R71-R74 PolarHBondContact O-N 3.22Å; R74-E77 PolarHBondContact O-N 2.99Å; R74-Y78 WeakPolarHBondContact O-CB 3.29Å; R74-Y78 PolarHBondContact O-N 3.36Å
75H93.9Very high93Very high118 Ų118112 Ų11255%0.54650%0.501SS..Hα-helixtrans-69.2-37.9179.3-176.267.5000111.8R71 E72 E73 Y78 T79R71-H75 VanDerWaalsContact O-CB 3.3Å; R71-H75 WeakPolarHBondContact O-CB 3.39Å; R71-H75 PolarHBondContact O-N 3.22Å; E72-H75 PolarHBondContact O-N 3.08Å; E73-H75 VanDerWaalsContact C-N 3.29Å; E73-H75 PolarHBondContact O-N 3.05Å; H75-Y78 PolarHBondContact O-N 3.12Å; H75-T79 WeakPolarHBondContact O-CB 3.37Å; H75-T79 WeakPolarHBondContact O-CG2 3.49Å; H75-T79 PolarHBondContact O-N 2.69Å; H75-T79 PolarHBondContact O-OG1 3.03Å
76K94.4Very high92.6Very high133 Ų133113.6 Ų113.658%0.57851%0.508SS*.Hα-helixtrans-63.8-42.4173.3-76170.1-174.9173.80111.7E72 E73 T79 K80E72-K76 WeakPolarHBondContact O-CB 3.48Å; E72-K76 WeakPolarHBondContact O-CG 3.45Å; E72-K76 PolarHBondContact O-N 3.2Å; E73-K76 PolarHBondContact O-N 2.96Å; K76-T79 VanDerWaalsContact CA-OG1 3.28Å; K76-T79 WeakPolarHBondContact CA-OG1 3.43Å; K76-T79 PolarHBondContact O-OG1 2.96Å; K76-K80 VanDerWaalsContact O-CB 3.27Å; K76-K80 WeakPolarHBondContact O-CB 3.38Å; K76-K80 PolarHBondContact O-N 3.42Å
77E91.3Very high92.1Very high132 Ų132114.2 Ų114.262%0.61751%0.511SS*.Hα-helixtrans-62.7-47.9174.5-72.3173.617700111E73 R74 T79 K80 M81E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å; R74-E77 PolarHBondContact O-N 2.99Å; E77-T79 PolarHBondContact O-N 2.74Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.47Å; E77-M81 WeakPolarHBondContact O-CG 3.39Å; E77-M81 PolarHBondContact O-N 3.45Å
78Y90.8Very high91.5Very high141 Ų141112.5 Ų112.555%0.55351%0.513SS*.Hα-helixtrans-59.8-46.6177.4179.1-104.4000112.5R74 H75 K80 M81 L82R74-Y78 WeakPolarHBondContact O-CB 3.29Å; R74-Y78 PolarHBondContact O-N 3.36Å; H75-Y78 PolarHBondContact O-N 3.12Å; Y78-K80 VanDerWaalsContact C-N 3.29Å; Y78-K80 PolarHBondContact O-N 3.05Å; Y78-M81 PolarHBondContact O-N 2.88Å; Y78-L82 HydrophobicContact CD1-CD1 4.1Å; Y78-L82 HydrophobicContact CE1-CD1 3.42Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.42Å; Y78-L82 HydrophobicContact CE1-CG 4.08Å; Y78-L82 PolarHBondContact O-N 3.4Å
79T92.9Very high90.7Very high42 Ų42116.2 Ų116.226%0.25853%0.528SS..Hα-helixtrans-66.3-32.1177.247.40000112.2H75 K76 E77 L82 K83H75-T79 WeakPolarHBondContact O-CB 3.37Å; H75-T79 WeakPolarHBondContact O-CG2 3.49Å; H75-T79 PolarHBondContact O-N 2.69Å; H75-T79 PolarHBondContact O-OG1 3.03Å; K76-T79 VanDerWaalsContact CA-OG1 3.28Å; K76-T79 WeakPolarHBondContact CA-OG1 3.43Å; K76-T79 PolarHBondContact O-OG1 2.96Å; E77-T79 PolarHBondContact O-N 2.74Å; T79-L82 PolarHBondContact O-N 2.78Å; T79-K83 WeakPolarHBondContact O-CB 3.33Å; T79-K83 VanDerWaalsContact O-CG 3.27Å; T79-K83 WeakPolarHBondContact O-CG 3.32Å; T79-K83 PolarHBondContact O-N 3.48Å
80K93.3Very high89.8Confident125 Ų125111.5 Ų111.554%0.54352%0.52SS..Hα-helixtrans-63.6-46.6172.2-168.6179.8-174.4-94.30111.3K76 E77 Y78 L82 K83 E84K76-K80 VanDerWaalsContact O-CB 3.27Å; K76-K80 WeakPolarHBondContact O-CB 3.38Å; K76-K80 PolarHBondContact O-N 3.42Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.47Å; Y78-K80 VanDerWaalsContact C-N 3.29Å; Y78-K80 PolarHBondContact O-N 3.05Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.41Å; K80-K83 PolarHBondContact O-N 3.3Å; K80-E84 WeakPolarHBondContact CE-OE1 3.35Å; K80-E84 IonicContact NZ-OE1 2.82Å; K80-E84 PolarHBondContact NZ-OE1 3.49Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.47Å
81M90.2Very high88.9Confident98 Ų98112.7 Ų112.748%0.48352%0.524SS..Hα-helixtrans-61.4-37.3176.6-65.5-60-56.700112.5E77 Y78 R85E77-M81 WeakPolarHBondContact O-CG 3.39Å; E77-M81 PolarHBondContact O-N 3.45Å; Y78-M81 PolarHBondContact O-N 2.88Å; M81-R85 WeakPolarHBondContact O-CG 3.42Å; M81-R85 PolarHBondContact O-N 3.26Å
82L90.1Very high87.8Confident71 Ų71107.4 Ų107.437%0.37251%0.514SS..Hα-helixtrans-66.8-44.4174.5-71.6-175.9000111.7Y78 T79 K80 R85 E86Y78-L82 HydrophobicContact CD1-CD1 4.1Å; Y78-L82 HydrophobicContact CE1-CD1 3.42Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.42Å; Y78-L82 HydrophobicContact CE1-CG 4.08Å; Y78-L82 PolarHBondContact O-N 3.4Å; T79-L82 PolarHBondContact O-N 2.78Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.41Å; L82-R85 WeakPolarHBondContact O-CB 3.2Å; L82-R85 PolarHBondContact O-N 3.08Å; L82-E86 WeakPolarHBondContact O-CB 3.45Å; L82-E86 PolarHBondContact O-N 3.03Å
83K91.1Very high86.7Confident135 Ų135109 Ų10959%0.58752%0.522SS*.Hα-helixtrans-62.6-42.1176.7-74.3176179.2-169.50112.7T79 K80 R85 E86 E87T79-K83 WeakPolarHBondContact O-CB 3.33Å; T79-K83 VanDerWaalsContact O-CG 3.27Å; T79-K83 WeakPolarHBondContact O-CG 3.32Å; T79-K83 PolarHBondContact O-N 3.48Å; K80-K83 PolarHBondContact O-N 3.3Å; K83-R85 VanDerWaalsContact C-N 3.25Å; K83-R85 PolarHBondContact O-N 3.37Å; K83-E86 PolarHBondContact O-N 2.92Å; K83-E87 WeakPolarHBondContact O-CB 3.4Å; K83-E87 PolarHBondContact O-N 3.46Å
84E89.5Confident85.7Confident77 Ų77108.1 Ų108.136%0.3652%0.521SS..Hα-helixtrans-61.8-35.4176.2-73.3171-174.500111.6K80 A88K80-E84 WeakPolarHBondContact CE-OE1 3.35Å; K80-E84 IonicContact NZ-OE1 2.82Å; K80-E84 PolarHBondContact NZ-OE1 3.49Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.47Å; E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 2.9Å
85R89.4Confident84.7Confident168 Ų168106.8 Ų106.863%0.63452%0.522SS*.Hα-helixtrans-71.3-41173.9-72.5173.9177.8-174.6-2.3112.4M81 L82 K83 A88 L89M81-R85 WeakPolarHBondContact O-CG 3.42Å; M81-R85 PolarHBondContact O-N 3.26Å; L82-R85 WeakPolarHBondContact O-CB 3.2Å; L82-R85 PolarHBondContact O-N 3.08Å; K83-R85 VanDerWaalsContact C-N 3.25Å; K83-R85 PolarHBondContact O-N 3.37Å; R85-A88 PolarHBondContact O-N 3.48Å; R85-L89 WeakPolarHBondContact O-CG 3.34Å; R85-L89 PolarHBondContact O-N 3.17Å
86E86.4Confident83.6Confident138 Ų138106.5 Ų106.565%0.64552%0.524SS*.Hα-helixtrans-65-43.4177.8-171.6177.6-177.300111.1L82 K83 L89 A90L82-E86 WeakPolarHBondContact O-CB 3.45Å; L82-E86 PolarHBondContact O-N 3.03Å; K83-E86 PolarHBondContact O-N 2.92Å; E86-L89 PolarHBondContact O-N 2.86Å; E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.23Å
87E84.8Confident82.5Confident122 Ų122105.2 Ų105.257%0.5752%0.52SS*.Hα-helixtrans-61.3-45.8174-173.6173.1-16300111.1K83 L89 A90 D91K83-E87 WeakPolarHBondContact O-CB 3.4Å; K83-E87 PolarHBondContact O-N 3.46Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.43Å; E87-A90 PolarHBondContact O-N 3.05Å; E87-D91 WeakPolarHBondContact O-CB 3.35Å; E87-D91 VanDerWaalsContact O-CG 3.31Å; E87-D91 PolarHBondContact O-N 2.82Å
88A81.9Confident81.6Confident59 Ų59104.5 Ų104.549%0.48852%0.52SS..Hα-helixtrans-63.4-31175.900000113.6E84 R85 A92E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 2.9Å; R85-A88 PolarHBondContact O-N 3.48Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 2.81Å
89L78.1Confident80.6Confident129 Ų12999.8 Ų99.868%0.67551%0.511SS*.Hα-helixtrans-75.4-39.8174.1-75.9176.1000111.8R85 E86 E87 A92 E93R85-L89 WeakPolarHBondContact O-CG 3.34Å; R85-L89 PolarHBondContact O-N 3.17Å; E86-L89 PolarHBondContact O-N 2.86Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.43Å; L89-A92 PolarHBondContact O-N 2.82Å; L89-E93 WeakPolarHBondContact O-CB 3.37Å; L89-E93 PolarHBondContact O-N 3.04Å
90A77.4Confident79.5Confident43 Ų43101 Ų10136%0.35552%0.518SS..Hα-helixtrans-63.6-46.2175.800000111.3E86 E87 A92 E93 D94E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.23Å; E87-A90 PolarHBondContact O-N 3.05Å; A90-A92 PolarHBondContact O-N 2.87Å; A90-E93 PolarHBondContact O-N 2.95Å; A90-E93 VanDerWaalsContact O-N 3.11Å; A90-D94 PolarHBondContact O-N 3.13Å
91D74.4Confident78.3Confident99 Ų99100.7 Ų100.753%0.52952%0.521SS..Hα-helixtrans-59.6-36.8175.8-70.5-15.6000111.7E87 E95E87-D91 WeakPolarHBondContact O-CB 3.35Å; E87-D91 VanDerWaalsContact O-CG 3.31Å; E87-D91 PolarHBondContact O-N 2.82Å; D91-E95 WeakPolarHBondContact O-CB 3.33Å; D91-E95 PolarHBondContact O-N 3.38Å
92A72.7Confident77.5Confident50 Ų50100.7 Ų100.741%0.41353%0.531SS..Hα-helixtrans-73.9-32.1176.900000113A88 L89 A90 L96A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 2.81Å; L89-A92 PolarHBondContact O-N 2.82Å; A90-A92 PolarHBondContact O-N 2.87Å; A92-L96 VanDerWaalsContact O-CB 3.27Å; A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 3.47Å
93E70.9Confident76.4Confident122 Ų122101.4 Ų101.457%0.5754%0.538SS*.Hα-helixtrans-69.4-44.1174-169.4164-140.500110.4L89 A90 E95 L96 E97L89-E93 WeakPolarHBondContact O-CB 3.37Å; L89-E93 PolarHBondContact O-N 3.04Å; A90-E93 PolarHBondContact O-N 2.95Å; A90-E93 VanDerWaalsContact O-N 3.11Å; E93-E95 PolarHBondContact O-N 3.44Å; E93-L96 CarbonylContact O-C 3.59Å; E93-L96 PolarHBondContact O-N 3.17Å; E93-E97 WeakPolarHBondContact O-CG 3.44Å; E93-E97 PolarHBondContact O-N 3.09Å
94D73.3Confident75.2Confident93 Ų9396.1 Ų96.150%0.49752%0.517SS..Hα-helixtrans-60.8-44.7174.1-72.3-13.8000111.5A90 L96 E97 D98A90-D94 PolarHBondContact O-N 3.13Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 3.33Å; D94-E97 PolarHBondContact O-N 3.09Å; D94-D98 PolarHBondContact O-N 2.88Å
95E73.1Confident74.4Confident148 Ų14899 Ų9969%0.69253%0.53SS*.Hα-helixtrans-63.4-37.4175.3-175175.9-174.600112D91 E93 A99D91-E95 WeakPolarHBondContact O-CB 3.33Å; D91-E95 PolarHBondContact O-N 3.38Å; E93-E95 PolarHBondContact O-N 3.44Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.41Å; E95-A99 PolarHBondContact O-N 2.91Å
96L70.3Confident73.6Confident111 Ų11194.7 Ų94.758%0.58153%0.527SS*.Hα-helixtrans-69.5-41.6176.3-178.464.6000111.7A92 E93 D94 A99 V100A92-L96 VanDerWaalsContact O-CB 3.27Å; A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 3.47Å; E93-L96 CarbonylContact O-C 3.59Å; E93-L96 PolarHBondContact O-N 3.17Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 3.19Å; L96-V100 HydrophobicContact CD1-CG2 4.26Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CB 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3.23Å
97E70.1Confident73.3Confident106 Ų10690.4 Ų90.450%0.49551%0.509SS..Hα-helixtrans-61-46.2175.5-76-171.5177.100110.9E93 D94 A99 V100 I101E93-E97 WeakPolarHBondContact O-CG 3.44Å; E93-E97 PolarHBondContact O-N 3.09Å; D94-E97 PolarHBondContact O-N 3.09Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.08Å; E97-V100 PolarHBondContact O-N 3.17Å; E97-I101 WeakPolarHBondContact O-CB 3.4Å; E97-I101 WeakPolarHBondContact O-CD1 3.4Å; E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 3.43Å
98D73.2Confident73.1Confident117 Ų11791.2 Ų91.263%0.62651%0.513SS*.Hα-helixtrans-61.4-42.3175-81.9-13.3000111.8D94 I101 S102D94-D98 PolarHBondContact O-N 2.88Å; D98-I101 PolarHBondContact O-N 3.05Å; D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 3.33Å; D98-S102 PolarHBondContact O-N 3.3Å; D98-S102 PolarHBondContact O-OG 3.29Å
99A70.1Confident73.3Confident43 Ų4394.3 Ų94.336%0.35551%0.513SS..Hα-helixtrans-64-43.1175.500000111.6E95 L96 E97 S102 T103E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.41Å; E95-A99 PolarHBondContact O-N 2.91Å; L96-A99 PolarHBondContact O-N 3.19Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.08Å; A99-S102 WeakPolarHBondContact CA-OG 3.32Å; A99-S102 PolarHBondContact O-N 2.85Å; A99-S102 PolarHBondContact O-OG 3.4Å; A99-T103 WeakPolarHBondContact O-CB 3.27Å; A99-T103 VanDerWaalsContact O-CG2 3.27Å; A99-T103 WeakPolarHBondContact O-CG2 3.47Å; A99-T103 PolarHBondContact O-N 3.01Å; A99-T103 PolarHBondContact O-OG1 3.17Å
100V68.7Low73.6Confident68 Ų6894.5 Ų94.541%0.41252%0.515SS..Hα-helixtrans-64.1-44.6176.5169.70000110.3L96 E97 S102 T103 T104L96-V100 HydrophobicContact CD1-CG2 4.26Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CB 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3.23Å; E97-V100 PolarHBondContact O-N 3.17Å; V100-S102 VanDerWaalsContact C-N 3.32Å; V100-S102 PolarHBondContact O-N 3.46Å; V100-T103 PolarHBondContact O-N 3.37Å; V100-T103 PolarHBondContact O-OG1 2.89Å; V100-T104 HydrophobicContact CG1-CG2 3.99Å; V100-T104 VanDerWaalsContact O-CB 3.23Å; V100-T104 WeakPolarHBondContact O-CB 3.39Å; V100-T104 WeakPolarHBondContact O-CG2 3.49Å; V100-T104 PolarHBondContact O-N 3.46Å; V100-T104 PolarHBondContact O-OG1 3.19Å
101I69.6Low74.1Confident117 Ų11796.2 Ų96.260%0.652%0.516SS*.Hα-helixtrans-64.3-38.2177.3-66.3162000111E97 D98E97-I101 WeakPolarHBondContact O-CB 3.4Å; E97-I101 WeakPolarHBondContact O-CD1 3.4Å; E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 3.43Å; D98-I101 PolarHBondContact O-N 3.05Å
102S71.6Confident74.8Confident98 Ų9897.7 Ų97.769%0.68553%0.531SS*.Hα-helixtrans-72.6-30.317973.30000113.9D98 A99 V100D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 3.33Å; D98-S102 PolarHBondContact O-N 3.3Å; D98-S102 PolarHBondContact O-OG 3.29Å; A99-S102 WeakPolarHBondContact CA-OG 3.32Å; A99-S102 PolarHBondContact O-N 2.85Å; A99-S102 PolarHBondContact O-OG 3.4Å; V100-S102 VanDerWaalsContact C-N 3.32Å; V100-S102 PolarHBondContact O-N 3.46Å
103T67.3Low75.5Confident86 Ų86102.8 Ų102.853%0.52855%0.551SS.*Hα-helixtrans-92.6-23.8-178.553.80000113.2A99 V100A99-T103 WeakPolarHBondContact O-CB 3.27Å; A99-T103 VanDerWaalsContact O-CG2 3.27Å; A99-T103 WeakPolarHBondContact O-CG2 3.47Å; A99-T103 PolarHBondContact O-N 3.01Å; A99-T103 PolarHBondContact O-OG1 3.17Å; V100-T103 PolarHBondContact O-N 3.37Å; V100-T103 PolarHBondContact O-OG1 2.89Å
104T67.4Low76.2Confident24 Ų24102.3 Ų102.315%0.14755%0.548CS..  trans-88.8110.7-179.957.40000111.1V100 S106 T119 I121V100-T104 HydrophobicContact CG1-CG2 3.99Å; V100-T104 VanDerWaalsContact O-CB 3.23Å; V100-T104 WeakPolarHBondContact O-CB 3.39Å; V100-T104 WeakPolarHBondContact O-CG2 3.49Å; V100-T104 PolarHBondContact O-N 3.46Å; V100-T104 PolarHBondContact O-OG1 3.19Å; T104-S106 PolarHBondContact O-N 3.32Å; T104-T119 HydrophobicContact CG2-CG2 4.12Å; T104-I121 HydrophobicContact CG2-CG1 4.17Å
105E72Confident76.8Confident137 Ų137101.2 Ų101.264%0.6455%0.545SS*.EExtended strand (participates in β ladder)trans-74.5114.1166.6-169.5177173.400107.9V107 T120E105-V107 HydrophobicContact CG-CG2 4.2Å; E105-T120 PolarHBondContact O-N 3.33Å; E105-T120 PolarHBondContact O-OG1 2.84Å
106S71.8Confident77.5Confident79 Ų7996.6 Ų96.655%0.55253%0.527SS*.EExtended strand (participates in β ladder)trans-99.6119.9173.657.90000109.5T104T104-S106 PolarHBondContact O-N 3.32Å
107V79.7Confident78.2Confident47 Ų4795.2 Ų95.229%0.28552%0.523SS..EExtended strand (participates in β ladder)trans-109.7119.1179-173.80000108.7E105 Y109 V118E105-V107 HydrophobicContact CG-CG2 4.2Å; V107-Y109 HydrophobicContact CB-CE2 3.77Å; V107-Y109 HydrophobicContact CG1-CD2 4.15Å; V107-Y109 HydrophobicContact CG1-CE1 3.97Å; V107-Y109 HydrophobicContact CG1-CE2 3.51Å; V107-Y109 VanDerWaalsContact CG1-CZ 3.4Å; V107-V118 PolarHBondContact N-O 2.81Å; V107-V118 PolarHBondContact O-N 3.19Å
108Q80.8Confident78.7Confident139 Ų13993.2 Ų93.265%0.6552%0.518SS*.EExtended strand (participates in β ladder)trans-92118.9178.1-168.7176.116.500109.9T115Q108-T115 HydrophobicContact CG-CG2 3.41Å; Q108-T115 VanDerWaalsContact CG-CG2 3.41Å
109Y85.9Confident78.9Confident124 Ų12491.4 Ų91.449%0.48651%0.511SS..EExtended strand (participates in β ladder)trans-106.9113.9177.7-63.8-84.1000110V107 H111 V116 V118V107-Y109 HydrophobicContact CB-CE2 3.77Å; V107-Y109 HydrophobicContact CG1-CD2 4.15Å; V107-Y109 HydrophobicContact CG1-CE1 3.97Å; V107-Y109 HydrophobicContact CG1-CE2 3.51Å; V107-Y109 VanDerWaalsContact CG1-CZ 3.4Å; Y109-H111 PolarHBondContact O-ND1 2.86Å; Y109-V116 PolarHBondContact N-O 3.31Å; Y109-V116 PolarHBondContact O-N 2.83Å; Y109-V118 HydrophobicContact CD2-CB 4.45Å; Y109-V118 HydrophobicContact CD2-CG2 4.03Å; Y109-V118 HydrophobicContact CE2-CB 4.2Å; Y109-V118 HydrophobicContact CE2-CG2 4.12Å
110D86.2Confident79Confident134 Ų13492.7 Ų92.772%0.71752%0.515SS*.EExtended strand (participates in β ladder)trans-85.6118.8179-158.427.9000110.8T115D110-T115 PolarHBondContact OD1-OG1 2.72Å
111H86.4Confident79.2Confident79 Ų7994.6 Ų94.637%0.36652%0.522SS..EExtended strand (participates in β ladder)trans-110.3156.8177.8-57.673.1000109.3Y109 N113 H114Y109-H111 PolarHBondContact O-ND1 2.86Å; H111-N113 PolarHBondContact O-N 3.42Å; H111-H114 CarbonylContact C-O 3.6Å; H111-H114 VanDerWaalsContact CA-O 3.27Å; H111-H114 WeakPolarHBondContact CA-O 3.5Å; H111-H114 WeakPolarHBondContact CB-O 3.23Å; H111-H114 PolarHBondContact N-O 2.92Å; H111-H114 PolarHBondContact O-N 3.45Å
112P89.8Confident78.8Confident130 Ų13093 Ų9384%0.84452%0.521SS*.THydrogen-bonded Turntrans-59.4-20.2-167.4-25.233.4000116.3
113N86.5Confident78.4Confident157 Ų15795.7 Ų95.784%0.8453%0.528SS*.THydrogen-bonded Turntrans-127.30.2-178.3-66.3-42.4000113.6H111H111-N113 PolarHBondContact O-N 3.42Å
114H86.9Confident78.2Confident111 Ų11196.8 Ų96.851%0.51453%0.53SS..EExtended strand (participates in β ladder)trans-170.2157.9-177.760.3-73.3000110.5H111 V116H111-H114 CarbonylContact C-O 3.6Å; H111-H114 VanDerWaalsContact CA-O 3.27Å; H111-H114 WeakPolarHBondContact CA-O 3.5Å; H111-H114 WeakPolarHBondContact CB-O 3.23Å; H111-H114 PolarHBondContact N-O 2.92Å; H111-H114 PolarHBondContact O-N 3.45Å; H114-V116 VanDerWaalsContact CD2-CG2 3.4Å; H114-V116 WeakPolarHBondContact CD2-CG2 3.47Å
115T85.3Confident78Confident70 Ų70100.6 Ų100.643%0.42955%0.549SS..EExtended strand (participates in β ladder)trans-110.3132.5174.9-46.50000109.3Q108 D110Q108-T115 HydrophobicContact CG-CG2 3.41Å; Q108-T115 VanDerWaalsContact CG-CG2 3.41Å; D110-T115 PolarHBondContact OD1-OG1 2.72Å
116V88.9Confident77.6Confident51 Ų51101 Ų10131%0.30956%0.555SS.*EExtended strand (participates in β ladder)trans-112121.9179.2-177.40000108.5Y109 H114 V118Y109-V116 PolarHBondContact N-O 3.31Å; Y109-V116 PolarHBondContact O-N 2.83Å; H114-V116 VanDerWaalsContact CD2-CG2 3.4Å; H114-V116 WeakPolarHBondContact CD2-CG2 3.47Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å
117T83.1Confident77.2Confident83 Ų83100.9 Ų100.951%0.50955%0.554SS.*EExtended strand (participates in β ladder)trans-98.9120172.3-51.40000108.8
118V82.4Confident76.1Confident64 Ų64100.7 Ų100.739%0.38856%0.562SS.*EExtended strand (participates in β ladder)trans-106.7115.6175.9-177.20000107.9V107 Y109 V116 T120V107-V118 PolarHBondContact N-O 2.81Å; V107-V118 PolarHBondContact O-N 3.19Å; Y109-V118 HydrophobicContact CD2-CB 4.45Å; Y109-V118 HydrophobicContact CD2-CG2 4.03Å; Y109-V118 HydrophobicContact CE2-CB 4.2Å; Y109-V118 HydrophobicContact CE2-CG2 4.12Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å; V118-T120 HydrophobicContact CG1-CG2 4.37Å
119T76.9Confident75Confident79 Ų7998 Ų9849%0.48556%0.564SS.*EExtended strand (participates in β ladder)trans-98.8112.8175.9-50.10000108.4T104T104-T119 HydrophobicContact CG2-CG2 4.12Å
120T72.4Confident73.7Confident70 Ų7098.3 Ų98.343%0.42957%0.569SS.*EExtended strand (participates in β ladder)trans-93.8129.2177.349.60000110.2E105 V118E105-T120 PolarHBondContact O-N 3.33Å; E105-T120 PolarHBondContact O-OG1 2.84Å; V118-T120 HydrophobicContact CG1-CG2 4.37Å
121I73Confident72.4Confident107 Ų10797.6 Ų97.655%0.54956%0.564SS.*  trans-100.7105174.5-47.7171.7000106.9T104 D123 L124T104-I121 HydrophobicContact CG2-CG1 4.17Å; I121-D123 VanDerWaalsContact C-N 3.32Å; I121-D123 PolarHBondContact O-N 3.04Å; I121-L124 HydrophobicContact CG2-CB 4.33Å
122S60.8Low71Confident85 Ų85102.3 Ų102.359%0.59458%0.584SS**THydrogen-bonded Turntrans-60.6-34-166.7-35.10000114.5
123D62.3Low69.1Low153 Ų153106.4 Ų106.482%0.81858%0.583SS**THydrogen-bonded Turntrans-12327.2-165.6-61.3-18.6000113.5I121 D125I121-D123 VanDerWaalsContact C-N 3.32Å; I121-D123 PolarHBondContact O-N 3.04Å; D123-D125 PolarHBondContact O-N 3.28Å
124L64.1Low67.2Low110 Ų110103.8 Ų103.858%0.57658%0.575SS**  trans-77.490174.9-155.275.7000109.7I121 L126I121-L124 HydrophobicContact CG2-CB 4.33Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 HydrophobicContact CD2-CD2 3.76Å; L124-L126 HydrophobicContact CD2-CG 4.5Å; L124-L126 HydrophobicContact CG-CD2 4.16Å; L124-L126 PolarHBondContact O-N 2.65Å
125D61.9Low64.9Low103 Ų103103 Ų10355%0.55159%0.587SS**  trans-67.591.3173.5-169.614.1000110.2D123 S127D123-D125 PolarHBondContact O-N 3.28Å; D125-S127 PolarHBondContact O-N 3.19Å; D125-S127 WeakPolarHBondContact OD1-CB 3.36Å; D125-S127 PolarHBondContact OD1-N 3.37Å
126L64.4Low62.8Low146 Ų146106 Ų10676%0.76461%0.606SS**  trans-72.2-3.3176-64.1175.9000112.6L124 G128L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 HydrophobicContact CD2-CD2 3.76Å; L124-L126 HydrophobicContact CD2-CG 4.5Å; L124-L126 HydrophobicContact CG-CD2 4.16Å; L124-L126 PolarHBondContact O-N 2.65Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.86Å
127S62.5Low60.4Low76 Ų76108.2 Ų108.253%0.53162%0.623SS.*SBendtrans-66.691165.3-173.10000107.6D125 A129D125-S127 PolarHBondContact O-N 3.19Å; D125-S127 WeakPolarHBondContact OD1-CB 3.36Å; D125-S127 PolarHBondContact OD1-N 3.37Å; S127-A129 PolarHBondContact O-N 3.42Å
128G57.2Low58.3Low43 Ų43112.6 Ų112.644%0.44364%0.643SS.*THydrogen-bonded Turntrans-62.135.5-169.600000117.7L126L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.86Å
129A59Low56Low84 Ų84113.8 Ų113.869%0.69466%0.66SS**THydrogen-bonded Turntrans-86.5-25.4177.600000113.5S127S127-A129 PolarHBondContact O-N 3.42Å
130H56.6Low53.8Low130 Ų130117.4 Ų117.460%0.60268%0.677SS**SBendtrans-95-30.1-177112.3-84.8000114F132 R133H130-F132 PolarHBondContact O-N 3.19Å; H130-R133 PolarHBondContact O-N 2.88Å
131L60Low52Low118 Ų118122.3 Ų122.362%0.61870%0.695SS**THydrogen-bonded Turntrans-67.8-16.9-176.3-77.1156.7000114.2
132F57.3Low50.1Low178 Ų178125.4 Ų125.478%0.78171%0.707SS**THydrogen-bonded Turntrans-113.411.2-178.7-66.2-72.5000114.1H130 P134H130-F132 PolarHBondContact O-N 3.19Å; F132-P134 VanDerWaalsContact O-CD 3.23Å; F132-P134 WeakPolarHBondContact O-CD 3.48Å
133R48.7Very low48.8Very low217 Ų217131 Ų13182%0.81972%0.72SS**  trans-76.3113.7175-169.9171.8-166.9150.52.8108.7H130 A135H130-R133 PolarHBondContact O-N 2.88Å; R133-A135 PolarHBondContact O-N 3Å
134P48.1Very low47.6Very low102 Ų102132 Ų13266%0.66272%0.72SS**  trans-66.6122.1172.8-4.421.2000106.8F132 T136F132-P134 VanDerWaalsContact O-CD 3.23Å; F132-P134 WeakPolarHBondContact O-CD 3.48Å; P134-T136 VanDerWaalsContact C-N 3.3Å; P134-T136 PolarHBondContact O-N 3.2Å
135A38.7Very low45.9Very low94 Ų94133.8 Ų133.878%0.77773%0.73SS**  trans-6499162.200000106.6R133 S137R133-A135 PolarHBondContact O-N 3Å; A135-S137 PolarHBondContact O-N 3.04Å
136T41.2Very low44.5Very low133 Ų133135.6 Ų135.682%0.81674%0.74SS**  trans-67.389.1167.852.10000107.6P134P134-T136 VanDerWaalsContact C-N 3.3Å; P134-T136 PolarHBondContact O-N 3.2Å
137S36.8Very low43Very low97 Ų97136.4 Ų136.468%0.67875%0.745SS**  trans-98.6114.2152.354.70000106.9A135 A139A135-S137 PolarHBondContact O-N 3.04Å; S137-A139 PolarHBondContact O-N 3.43Å
138D39.4Very low41.7Very low175 Ų175142.5 Ų142.594%0.93676%0.762SS**  trans-49109164.7-61.5-65.1000109.6
139A33.8Very low40.6Very low89 Ų89148.6 Ų148.674%0.73678%0.779SS**  trans-153.196.8164.600000108.5S137S137-A139 PolarHBondContact O-N 3.43Å
140D32.4Very low39.6Very low156 Ų156152.6 Ų152.683%0.83478%0.783SS**  trans-9.8128.7155.5-132.8-8.8000116.4
141E34.7Very low38.5Very low173 Ų173152.4 Ų152.481%0.80879%0.787SS**  trans-10.1126.2168.2-6517817200119
142E32Very low37.1Very low172 Ų172152.8 Ų152.880%0.80479%0.789SS**  trans-53.1141.1155.5-60.8176.4166.100112.1
143K33Very low35.9Very low202 Ų202153.8 Ų153.888%0.87879%0.793SS**  trans-130115.8140.5-74.2-137.6174.1-160.10109.6
144E37.1Very low35.6Very low175 Ų175152.3 Ų152.382%0.81880%0.796SS**  trans-57.6147.1162.9-57.6-157.2170.400111.8
145D29.9Very low35.1Very low146 Ų146156.5 Ų156.578%0.78181%0.806SS**  -167165122.3-145.6-15.7000110.6
146D31.3Very low35.5Very low141 Ų141161 Ų16175%0.75481%0.811SS**  trans102.181.5161-63.6-29.1000117.5
147N33.5Very low35.8Very low163 Ų163162.2 Ų162.287%0.87281%0.808SS**  trans-119.5105.1142.5-102.9-35.3000109.9
148K34.3Very low36.3Very low204 Ų204165.8 Ų165.889%0.88781%0.811SS**  trans-178.5111.8132.5-102.3166-174.3178.30112.6
149E35.4Very low36.4Very low172 Ų172169.5 Ų169.580%0.80481%0.812SS**  trans-74.5145.6158.9-82.3-17916000112
150E38Very low37.1Very low168 Ų168173.1 Ų173.179%0.78582%0.818SS**  trans48.9133.1142.3-55.9-172.2165.400118.4
151D31.9Very low38.5Very low126 Ų126170.2 Ų170.267%0.67482%0.816SS**  -173.3147.654.7-152.211.7000113.4
152N30.8Very low39.6Very low125 Ų125170 Ų17067%0.66882%0.817SS**  trans45.3115.4147.9-77.1-36.7000122.9
153K33.2Very low41.1Very low200 Ų200167.1 Ų167.187%0.8781%0.813SS**  173.9151.4104.2-96.6165-172174.20114.2
154E42Very low42.7Very low185 Ų185167.8 Ų167.886%0.86482%0.816SS**  trans-44.4130.2175.9-61.9165.2147.700114.1
155E38.1Very low44Very low191 Ų191167.8 Ų167.889%0.89381%0.813SS**  trans-157.7118.6137.2-110.5174.9-15800109.2E157E155-E157 PolarHBondContact O-N 3.26Å
156E47.4Very low45.6Very low188 Ų188166.3 Ų166.388%0.87981%0.812SS**  trans-57.2125.2162.2-69.7-178.6131.600108.7
157E47.3Very low47.2Very low158 Ų158170.7 Ų170.774%0.73882%0.817SS**  169139.4126.2-92.2-173-173.800113E155E155-E157 PolarHBondContact O-N 3.26Å
158K47Very low48.9Very low172 Ų172169.5 Ų169.575%0.74881%0.811SS**  trans74.771.1163-60.2159.2-164.1161.90117.9L160K158-L160 PolarHBondContact O-N 2.98Å; K158-L160 VanDerWaalsContact O-N 3.09Å
159R40.5Very low50.7Low253 Ų253165.5 Ų165.596%0.95580%0.799SS**  trans-67.5101.5150.6-67.8-173.8179-152-1.7109.4A161R159-A161 PolarHBondContact O-N 3.46Å; R159-A161 VanDerWaalsContact O-N 3.12Å
160L50Low52.6Low166 Ų166166 Ų16687%0.86981%0.805SS**  trans-58.4112.9167-67.2171.4000108.9K158 M162K158-L160 PolarHBondContact O-N 2.98Å; K158-L160 VanDerWaalsContact O-N 3.09Å; L160-M162 PolarHBondContact O-N 2.76Å
161A60.3Low54.4Low95 Ų95161.3 Ų161.379%0.78578%0.784SS**PPolyproline II helixtrans-68.1123.7-179.400000110.6R159R159-A161 PolarHBondContact O-N 3.46Å; R159-A161 VanDerWaalsContact O-N 3.12Å
162M57.6Low56.9Low169 Ų169159.7 Ų159.783%0.83378%0.775SS**PPolyproline II helixtrans-52.7139.4174.2-72.5-95.2-101.600111.3L160 K164L160-M162 PolarHBondContact O-N 2.76Å; M162-K164 PolarHBondContact O-N 2.84Å
163P64.3Low59.5Low111 Ų111162.6 Ų162.672%0.72178%0.782SS**PPolyproline II helixtrans-61.4124.6-179.723.6-31.9000110.6K165P163-K165 PolarHBondContact O-N 2.88Å
164K65.8Low62.2Low215 Ų215161.2 Ų161.294%0.93578%0.776SS**SBendtrans-69.88.8-179.6-67.9177.7177.3172.10114.5M162M162-K164 PolarHBondContact O-N 2.84Å
165K66.1Low64.4Low175 Ų175156.2 Ų156.276%0.76176%0.755SS**SBendtrans-114.9128-179.7-64.1-178.1-178.7178.90107.8P163 R167P163-K165 PolarHBondContact O-N 2.88Å; K165-R167 PolarHBondContact O-N 2.94Å; K165-R167 VanDerWaalsContact O-N 3.15Å
166P62.2Low66.7Low116 Ų116152 Ų15275%0.75373%0.73SS**  trans-60.3124.1173.626.9-32000107.4D168P166-D168 PolarHBondContact O-N 2.94Å
167R66.4Low68.6Low232 Ų232146.5 Ų146.588%0.87571%0.713SS**  trans-55.2130166.1-153.1173.3-172.3-134.23105.9K165 L169K165-R167 PolarHBondContact O-N 2.94Å; K165-R167 VanDerWaalsContact O-N 3.15Å; R167-L169 VanDerWaalsContact C-N 3.25Å; R167-L169 PolarHBondContact O-N 2.8Å
168D68.1Low70.7Confident138 Ų138144 Ų14474%0.73870%0.704SS**  trans-63.290.7-178.7-77.4-34.5000109.1P166 I170P166-D168 PolarHBondContact O-N 2.94Å; D168-I170 PolarHBondContact O-N 3.06Å
169L72.6Confident72.7Confident121 Ų121138.8 Ų138.863%0.63469%0.687SS**  trans-55.4132.1170.6-68.4151.8000106.6R167 M171 R176R167-L169 VanDerWaalsContact C-N 3.25Å; R167-L169 PolarHBondContact O-N 2.8Å; L169-M171 HydrophobicContact CB-CG 3.89Å; L169-M171 PolarHBondContact O-N 2.82Å; L169-R176 PolarHBondContact O-NH2 3.12Å
170I74.5Confident74.8Confident181 Ų181131 Ų13193%0.92867%0.667SS**  trans-67.879.7177.3-55.6172.6000107.2D168D168-I170 PolarHBondContact O-N 3.06Å
171M75.6Confident76.7Confident71 Ų71125.4 Ų125.435%0.3565%0.645SS.*  trans-107.9137.8177.1-62-154.7-63.700108L169 I175 R176L169-M171 HydrophobicContact CB-CG 3.89Å; L169-M171 PolarHBondContact O-N 2.82Å; M171-I175 HydrophobicContact CE-CG2 4.49Å; M171-I175 HydrophobicContact SD-CG2 3.93Å; M171-R176 HydrophobicContact CB-CG 3.86Å; M171-R176 HydrophobicContact CE-CG 4.16Å; M171-R176 PolarHBondContact O-NE 3.06Å; M171-R176 VanDerWaalsContact O-NE 3.11Å
172N85.3Confident78Confident91 Ų91125.8 Ų125.849%0.48763%0.634SS.*  trans-60.6154.2175.468.214.3000110.9K174 I175 R176N172-K174 PolarHBondContact O-N 3.21Å; N172-K174 VanDerWaalsContact O-N 3.16Å; N172-I175 PolarHBondContact O-N 3Å; N172-I175 WeakPolarHBondContact OD1-CB 3.42Å; N172-I175 WeakPolarHBondContact OD1-CD1 3.45Å; N172-I175 WeakPolarHBondContact OD1-CG1 3.28Å; N172-I175 PolarHBondContact OD1-N 3.21Å; N172-R176 PolarHBondContact O-N 2.96Å; N172-R176 VanDerWaalsContact O-N 3.17Å
173K86.1Confident79.2Confident186 Ų186120.9 Ų120.981%0.80962%0.616SS**Hα-helixtrans-57.1-33.9-176.6-65.7177.9-179.5175.90112.3S177K173-S177 PolarHBondContact O-N 3.1Å; K173-S177 PolarHBondContact O-OG 3.32Å
174K88.8Confident79.9Confident172 Ų172117.7 Ų117.775%0.74860%0.596SS**Hα-helixtrans-64.6-50.3178.7-66.1-176.2179.6-179.80111.6N172 R176 S177 L178N172-K174 PolarHBondContact O-N 3.21Å; N172-K174 VanDerWaalsContact O-N 3.16Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.37Å; K174-S177 PolarHBondContact O-N 2.92Å; K174-S177 PolarHBondContact O-OG 3.28Å; K174-L178 PolarHBondContact O-N 2.86Å
175I89.1Confident80.2Confident80 Ų80111.5 Ų111.541%0.4158%0.579SS.*Hα-helixtrans-63.2-41178.9-68164.4000110.8M171 N172 S177 L178 T179M171-I175 HydrophobicContact CE-CG2 4.49Å; M171-I175 HydrophobicContact SD-CG2 3.93Å; N172-I175 PolarHBondContact O-N 3Å; N172-I175 WeakPolarHBondContact OD1-CB 3.42Å; N172-I175 WeakPolarHBondContact OD1-CD1 3.45Å; N172-I175 WeakPolarHBondContact OD1-CG1 3.28Å; N172-I175 PolarHBondContact OD1-N 3.21Å; I175-S177 PolarHBondContact O-N 3.16Å; I175-L178 PolarHBondContact O-N 3.45Å; I175-T179 PolarHBondContact O-N 2.91Å; I175-T179 PolarHBondContact O-OG1 3.21Å
176R85.6Confident80.5Confident102 Ų102107.5 Ų107.539%0.38557%0.569SS.*Hα-helixtrans-59.8-45.3175.4-68.2179.3176.5175.90.8112.1L169 M171 N172 K174 T179 T180L169-R176 PolarHBondContact O-NH2 3.12Å; M171-R176 HydrophobicContact CB-CG 3.86Å; M171-R176 HydrophobicContact CE-CG 4.16Å; M171-R176 PolarHBondContact O-NE 3.06Å; M171-R176 VanDerWaalsContact O-NE 3.11Å; N172-R176 PolarHBondContact O-N 2.96Å; N172-R176 VanDerWaalsContact O-N 3.17Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.37Å; R176-T179 WeakPolarHBondContact CA-OG1 3.46Å; R176-T179 PolarHBondContact O-OG1 3.18Å; R176-T180 WeakPolarHBondContact O-CG2 3.27Å; R176-T180 PolarHBondContact O-N 3.37Å; R176-T180 VanDerWaalsContact O-N 3.07Å; R176-T180 PolarHBondContact O-OG1 2.89Å
177S87.9Confident80.8Confident72 Ų72104.4 Ų104.450%0.50355%0.551SS.*Hα-helixtrans-65.4-39.3178.271.50000112.5K173 K174 I175 T180 A181K173-S177 PolarHBondContact O-N 3.1Å; K173-S177 PolarHBondContact O-OG 3.32Å; K174-S177 PolarHBondContact O-N 2.92Å; K174-S177 PolarHBondContact O-OG 3.28Å; I175-S177 PolarHBondContact O-N 3.16Å; S177-T180 WeakPolarHBondContact CA-OG1 3.41Å; S177-T180 PolarHBondContact O-OG1 3.39Å; S177-A181 WeakPolarHBondContact O-CB 3.46Å; S177-A181 PolarHBondContact O-N 3.29Å
178L91.3Very high80.7Confident105 Ų105100.6 Ų100.655%0.5554%0.54SS..Hα-helixtrans-66.5-47.1177.3-170.8100.9000111.4K174 I175 T180 A181 L182K174-L178 PolarHBondContact O-N 2.86Å; I175-L178 PolarHBondContact O-N 3.45Å; L178-T180 PolarHBondContact O-N 3.19Å; L178-A181 PolarHBondContact O-N 3.3Å; L178-L182 HydrophobicContact CD2-CD1 3.85Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 2.86Å
179T88.1Confident80.3Confident64 Ų64104.7 Ų104.739%0.39355%0.545SS..Hα-helixtrans-64.9-38.3-179.728.30000112.6I175 R176 S183I175-T179 PolarHBondContact O-N 2.91Å; I175-T179 PolarHBondContact O-OG1 3.21Å; R176-T179 WeakPolarHBondContact CA-OG1 3.46Å; R176-T179 PolarHBondContact O-OG1 3.18Å; T179-S183 WeakPolarHBondContact O-CB 3.03Å; T179-S183 PolarHBondContact O-N 2.8Å; T179-S183 PolarHBondContact O-OG 2.66Å
180T85.6Confident79.7Confident88 Ų88109.2 Ų109.254%0.5455%0.554SS.*Hα-helixtrans-65.8-41.9173.250.40000112.1R176 S177 L178 S183 S184R176-T180 WeakPolarHBondContact O-CG2 3.27Å; R176-T180 PolarHBondContact O-N 3.37Å; R176-T180 VanDerWaalsContact O-N 3.07Å; R176-T180 PolarHBondContact O-OG1 2.89Å; S177-T180 WeakPolarHBondContact CA-OG1 3.41Å; S177-T180 PolarHBondContact O-OG1 3.39Å; L178-T180 PolarHBondContact O-N 3.19Å; T180-S183 WeakPolarHBondContact CA-OG 3.29Å; T180-S183 PolarHBondContact O-OG 3.22Å; T180-S184 WeakPolarHBondContact O-CB 3.27Å; T180-S184 PolarHBondContact O-N 3.45Å
181A88.7Confident78.9Confident50 Ų50108.3 Ų108.341%0.41354%0.539SS..Hα-helixtrans-61.7-49.4174.500000111.9S177 L178 S183 S184 C185S177-A181 WeakPolarHBondContact O-CB 3.46Å; S177-A181 PolarHBondContact O-N 3.29Å; L178-A181 PolarHBondContact O-N 3.3Å; A181-S183 PolarHBondContact O-N 2.95Å; A181-S184 PolarHBondContact O-N 2.94Å; A181-S184 PolarHBondContact O-OG 3.03Å; A181-C185 PolarHBondContact O-N 3.49Å; A181-C185 PolarHBondContact O-SG 2.91Å; A181-C185 VanDerWaalsContact O-SG 3.34Å
182L88.6Confident77.9Confident103 Ų103114.1 Ų114.154%0.53956%0.562SS.*Hα-helixtrans-62.1-43.9-179.9-69.8172.8000112.5L178 S184 C185 T186L178-L182 HydrophobicContact CD2-CD1 3.85Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 2.86Å; L182-S184 VanDerWaalsContact C-N 3.33Å; L182-S184 PolarHBondContact O-N 2.91Å; L182-C185 PolarHBondContact O-N 3.11Å; L182-T186 WeakPolarHBondContact O-CG2 3.21Å; L182-T186 PolarHBondContact O-N 3.18Å; L182-T186 VanDerWaalsContact O-N 3.09Å; L182-T186 PolarHBondContact O-OG1 3Å; L182-T186 VanDerWaalsContact O-OG1 3.12Å
183S82.8Confident76.5Confident65 Ų65113.2 Ų113.246%0.45558%0.575SS.*Hα-helixtrans-66.9-32.9176.657.60000112.8T179 T180 A181 T186 S187T179-S183 WeakPolarHBondContact O-CB 3.03Å; T179-S183 PolarHBondContact O-N 2.8Å; T179-S183 PolarHBondContact O-OG 2.66Å; T180-S183 WeakPolarHBondContact CA-OG 3.29Å; T180-S183 PolarHBondContact O-OG 3.22Å; A181-S183 PolarHBondContact O-N 2.95Å; S183-T186 WeakPolarHBondContact CA-OG1 3.42Å; S183-T186 PolarHBondContact O-OG1 2.83Å; S183-T186 VanDerWaalsContact O-OG1 3.1Å; S183-S187 VanDerWaalsContact O-CB 3.3Å; S183-S187 WeakPolarHBondContact O-CB 3.19Å; S183-S187 PolarHBondContact O-N 2.85Å; S183-S187 PolarHBondContact O-OG 3.25Å
184S78.7Confident75.1Confident45 Ų45113.6 Ų113.632%0.31558%0.576SS.*Hα-helixtrans-69.2-38.6174.582.70000112.6T180 A181 L182 S187 K188T180-S184 WeakPolarHBondContact O-CB 3.27Å; T180-S184 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 2.94Å; A181-S184 PolarHBondContact O-OG 3.03Å; L182-S184 VanDerWaalsContact C-N 3.33Å; L182-S184 PolarHBondContact O-N 2.91Å; S184-S187 PolarHBondContact O-OG 3.31Å; S184-S187 VanDerWaalsContact O-OG 3.13Å; S184-K188 WeakPolarHBondContact O-CB 3.22Å; S184-K188 VanDerWaalsContact O-CG 3.26Å; S184-K188 WeakPolarHBondContact O-CG 3.23Å; S184-K188 PolarHBondContact O-N 3.45Å; S184-K188 VanDerWaalsContact O-N 3.09Å
185C73.1Confident73.4Confident85 Ų85110.6 Ų110.657%0.57457%0.565SS**Hα-helixtrans-68.5-42.9178.5-70.40000111.8A181 L182 R189A181-C185 PolarHBondContact O-N 3.49Å; A181-C185 PolarHBondContact O-SG 2.91Å; A181-C185 VanDerWaalsContact O-SG 3.34Å; L182-C185 PolarHBondContact O-N 3.11Å; C185-R189 PolarHBondContact O-N 3.42Å
186T71.7Confident71.6Confident90 Ų90115.8 Ų115.855%0.55259%0.588SS**Hα-helixtrans-68.8-42.2178.4560000112.1L182 S183 R189 R190L182-T186 WeakPolarHBondContact O-CG2 3.21Å; L182-T186 PolarHBondContact O-N 3.18Å; L182-T186 VanDerWaalsContact O-N 3.09Å; L182-T186 PolarHBondContact O-OG1 3Å; L182-T186 VanDerWaalsContact O-OG1 3.12Å; S183-T186 WeakPolarHBondContact CA-OG1 3.42Å; S183-T186 PolarHBondContact O-OG1 2.83Å; S183-T186 VanDerWaalsContact O-OG1 3.1Å; T186-R189 PolarHBondContact O-N 2.98Å; T186-R190 WeakPolarHBondContact O-CG 3.44Å; T186-R190 PolarHBondContact O-N 3.3Å
187S69.5Low69.9Low52 Ų52114.3 Ų114.336%0.36460%0.604SS.*Hα-helixtrans-68-37.2178.761.30000113.4S183 S184 R189 R190 R191S183-S187 VanDerWaalsContact O-CB 3.3Å; S183-S187 WeakPolarHBondContact O-CB 3.19Å; S183-S187 PolarHBondContact O-N 2.85Å; S183-S187 PolarHBondContact O-OG 3.25Å; S184-S187 PolarHBondContact O-OG 3.31Å; S184-S187 VanDerWaalsContact O-OG 3.13Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 3.35Å; S187-R190 PolarHBondContact O-N 3.44Å; S187-R191 WeakPolarHBondContact O-CG 3.4Å; S187-R191 PolarHBondContact O-N 3.25Å
188K63.8Low68Low151 Ų151121.6 Ų121.666%0.65762%0.62SS**Hα-helixtrans-63.8-37.5173.9-75.9179.8-178.81770112.2S184 R190 R191 K192S184-K188 WeakPolarHBondContact O-CB 3.22Å; S184-K188 VanDerWaalsContact O-CG 3.26Å; S184-K188 WeakPolarHBondContact O-CG 3.23Å; S184-K188 PolarHBondContact O-N 3.45Å; S184-K188 VanDerWaalsContact O-N 3.09Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 2.87Å; K188-R191 PolarHBondContact O-N 2.74Å; K188-K192 PolarHBondContact O-N 2.79Å
189R60.2Low65.7Low224 Ų224122.7 Ų122.785%0.84563%0.627SS**Hα-helixtrans-64.1-33.4174.9-159.4174.9178.4-167.4-0.7111.9C185 T186 S187C185-R189 PolarHBondContact O-N 3.42Å; T186-R189 PolarHBondContact O-N 2.98Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 3.35Å
190R59.5Low63.9Low216 Ų216131.2 Ų131.282%0.81565%0.652SS**Hα-helixtrans-79.4-28.6175.5-58.9-160.183.3-168.56.4114.3T186 S187 K188T186-R190 WeakPolarHBondContact O-CG 3.44Å; T186-R190 PolarHBondContact O-N 3.3Å; S187-R190 PolarHBondContact O-N 3.44Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 2.87Å
191R58.3Low62.2Low162 Ų162139 Ų13961%0.61167%0.671SS**Hα-helixtrans-81.9-25.1-179.5-72.7-172.9-178.7-171.12.3114.5S187 K188 G193 K194 Q195S187-R191 WeakPolarHBondContact O-CG 3.4Å; S187-R191 PolarHBondContact O-N 3.25Å; K188-R191 PolarHBondContact O-N 2.74Å; R191-G193 PolarHBondContact O-N 3.25Å; R191-K194 PolarHBondContact O-N 2.82Å; R191-Q195 PolarHBondContact O-N 3.01Å
192K53.4Low59.8Low193 Ų193140.2 Ų140.284%0.83969%0.689SS**THydrogen-bonded Turntrans-63-15.6-179.8-156164.2-176.8176.80113.9K188K188-K192 PolarHBondContact O-N 2.79Å
193G55.8Low57.4Low73 Ų73146.6 Ų146.675%0.75371%0.706SS**THydrogen-bonded Turntrans-94.6-5173.800000116.3R191R191-G193 PolarHBondContact O-N 3.25Å
194K57.2Low55.2Low194 Ų194155 Ų15584%0.84373%0.728SS**THydrogen-bonded Turntrans-133.5-1.3-172.4-84.3-164.2175.7-176.40117R191R191-K194 PolarHBondContact O-N 2.82Å
195Q52.9Low53.5Low108 Ų108158.2 Ų158.251%0.50575%0.747SS.*  trans-103-1.3-172.4-142.6173.7-11.200115.7R191 G197R191-Q195 PolarHBondContact O-N 3.01Å; Q195-G197 PolarHBondContact O-N 3.31Å; Q195-G197 VanDerWaalsContact O-N 3.17Å
196E50.2Low52.1Low190 Ų190161.5 Ų161.589%0.88876%0.759SS**THydrogen-bonded Turntrans-76.91.7-179.7-149171.3176.500114
197G51.1Low50.8Low70 Ų70166.5 Ų166.572%0.72277%0.773SS**THydrogen-bonded Turntrans-121.93.5-171.400000117.7Q195Q195-G197 PolarHBondContact O-N 3.31Å; Q195-G197 VanDerWaalsContact O-N 3.17Å
198R47.9Very low49.5Very low225 Ų225175.8 Ų175.885%0.84980%0.8SS**SBendtrans-129.65.5-171.3-85-165.7-178.3-151.71.5118.6
199D43.7Very low48.6Very low129 Ų129174.7 Ų174.769%0.6981%0.809SS**  trans-120.654.7178.4-64.4-38.2000112.5
200R48.9Very low47.5Very low243 Ų243167.4 Ų167.492%0.91780%0.803SS**  trans-120.535.8170.6-75.3-148.9-172-146.83.5114.1
201R50.5Low46.8Very low251 Ų251163.5 Ų163.595%0.94780%0.803SS**SBendtrans-148.9103159.8-64.9-165.8-154.2-80.12.4109.6
202G38Very low45.9Very low76 Ų76162.3 Ų162.378%0.78481%0.814SS**SBendtrans138.6107.116400000115.3
203R37.3Very low45.3Very low237 Ų237161.9 Ų161.989%0.89482%0.815SS**  trans73.5105151.4-153.3177.3-75-90.45.9117.7
204W37.6Very low44.7Very low242 Ų242161.3 Ų161.392%0.91781%0.809SS**  trans-71.3136.1157.1-76.813.9000109.8
205P42.9Very low43.8Very low111 Ų111158.4 Ų158.472%0.72181%0.807SS**  trans-104124.8148.130.8-19.2000109K207P205-K207 PolarHBondContact O-N 2.88Å
206D44.4Very low43.3Very low155 Ų155162 Ų16283%0.82982%0.823SS**  trans-52.6110.6161.2-85.9-43.2000109.1
207K44.8Very low43.3Very low194 Ų194163.5 Ų163.584%0.84382%0.821SS**  trans-157.8114.3160.5-103.6160.9-165.6-166.20108.2P205P205-K207 PolarHBondContact O-N 2.88Å
208R41.7Very low43.6Very low248 Ų248164.1 Ų164.194%0.93683%0.828SS**PPolyproline II helixtrans-52.5132.1174.7-61.3176.4175.7-171.5-2.2109.8
209P44Very low44Very low128 Ų128157.1 Ų157.183%0.83183%0.826SS**PPolyproline II helixtrans-83.9124.4173.531.2-27.6000109.7
210G37.5Very low44.8Very low71 Ų71161.9 Ų161.973%0.73283%0.834SS**PPolyproline II helixtrans-64.3143.116300000110.7T212G210-T212 PolarHBondContact O-N 3.21Å
211V44.5Very low46Very low133 Ų133153.6 Ų153.681%0.80681%0.81SS**  trans-41.1118.7172.7172.70000111.9
212T40.1Very low47.3Very low138 Ų138144.7 Ų144.785%0.84779%0.786SS**  trans-146.9141.8142.643.50000109G210G210-T212 PolarHBondContact O-N 3.21Å
213E39.9Very low49Very low183 Ų183149.5 Ų149.586%0.85579%0.786SS**  trans-82.2146.4-154.9-60.5174.5144.900113.6
214G44.5Very low50.8Low62 Ų62145.4 Ų145.464%0.63977%0.774SS**  trans56.284135.500000120.1
215V38Very low52.7Low132 Ų132138.7 Ų138.780%0.875%0.753SS**  trans-134.889.5141.3-174.90000108.9R217V215-R217 PolarHBondContact O-N 3.28Å; V215-R217 VanDerWaalsContact O-N 3.1Å
216H42Very low54.4Low183 Ų183141 Ų14185%0.84775%0.748SS**  trans-67.5102.9173-70.2-76.7000110.2G218H216-G218 PolarHBondContact O-N 2.8Å; H216-G218 VanDerWaalsContact O-N 3.14Å
217R50.9Low55.9Low223 Ų223143 Ų14384%0.84274%0.743SS**  trans-78.590.4161.1-68.2-168.6-179.2-170.90.6108.5V215 G219V215-R217 PolarHBondContact O-N 3.28Å; V215-R217 VanDerWaalsContact O-N 3.1Å; R217-G219 PolarHBondContact O-N 3.11Å
218G55.8Low57.3Low83 Ų83142.9 Ų142.986%0.85674%0.738SS**THydrogen-bonded Turntrans-55.6124.7171.200000110.6H216H216-G218 PolarHBondContact O-N 2.8Å; H216-G218 VanDerWaalsContact O-N 3.14Å
219G58Low58.6Low78 Ų78137.9 Ų137.980%0.80473%0.725SS**THydrogen-bonded Turntrans137.6-9.2167.400000117.4R217R217-G219 PolarHBondContact O-N 3.11Å
220R59.5Low59.9Low229 Ų229137.1 Ų137.186%0.86472%0.718SS**  trans-113.878177.2-78.4-177.5175.9168-0.2112.4
221T74.9Confident61.1Low68 Ų68136.2 Ų136.242%0.41771%0.708SS.*  trans-65.5133161.963.20000109
222S76.9Confident62Low64 Ų64138.4 Ų138.445%0.44871%0.707SS.*  trans-68.7155.317584.80000111.5K224 Q225 R226S222-K224 PolarHBondContact O-N 3.36Å; S222-K224 VanDerWaalsContact O-N 3.13Å; S222-K224 PolarHBondContact OG-N 2.94Å; S222-Q225 WeakPolarHBondContact O-CB 3.19Å; S222-Q225 PolarHBondContact O-N 3.43Å; S222-Q225 PolarHBondContact OG-N 3.33Å; S222-R226 PolarHBondContact O-N 2.87Å
223K73.8Confident63Low177 Ų177140.8 Ų140.877%0.7771%0.706SS**Hα-helixtrans-54.3-33.1176.7-173.2167.3-176.4165.20112.6R227K223-R227 PolarHBondContact O-N 3.31Å
224K75Confident63.9Low152 Ų152137.1 Ų137.166%0.66170%0.696SS**Hα-helixtrans-70.5-37.8176.4-170.4176.8-178.8-179.50112.1S222 R228S222-K224 PolarHBondContact O-N 3.36Å; S222-K224 VanDerWaalsContact O-N 3.13Å; S222-K224 PolarHBondContact OG-N 2.94Å; K224-R228 PolarHBondContact O-N 3.21Å
225Q78.5Confident64.4Low100 Ų100141 Ų14147%0.46770%0.702SS.*Hα-helixtrans-69.3-40.8178.4-169.8171.1-17.900111.7S222 R228 Q229S222-Q225 WeakPolarHBondContact O-CB 3.19Å; S222-Q225 PolarHBondContact O-N 3.43Å; S222-Q225 PolarHBondContact OG-N 3.33Å; Q225-R228 PolarHBondContact O-N 3.2Å; Q225-Q229 PolarHBondContact O-N 2.98Å
226R78.1Confident65Low161 Ų161142.6 Ų142.661%0.60870%0.701SS**Hα-helixtrans-60.5-47.8173.6-170-177.7-60.6-163.3-1.1112S222 R228 Q229 T230S222-R226 PolarHBondContact O-N 2.87Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 2.63Å; R226-Q229 PolarHBondContact O-N 2.97Å; R226-Q229 VanDerWaalsContact O-N 3.1Å; R226-T230 HydrophobicContact CG-CG2 4.48Å; R226-T230 PolarHBondContact O-N 2.82Å; R226-T230 PolarHBondContact O-OG1 3.3Å
227R74.7Confident65.6Low195 Ų195142 Ų14274%0.73670%0.703SS**Hα-helixtrans-58.7-34.3177.3-96.4-176.3155.5-172.5-6.6113.5K223 G231K223-R227 PolarHBondContact O-N 3.31Å; R227-G231 WeakPolarHBondContact O-CA 3.27Å; R227-G231 PolarHBondContact O-N 2.93Å; R227-G231 VanDerWaalsContact O-N 3.07Å
228R74Confident65.6Low192 Ų192142.8 Ų142.873%0.72572%0.724SS**Hα-helixtrans-72.3-32.5176.8-79.2-177.5143.9-168-7.5112.9K224 Q225 R226K224-R228 PolarHBondContact O-N 3.21Å; Q225-R228 PolarHBondContact O-N 3.2Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 2.63Å
229Q70.1Confident66.1Low143 Ų143145.8 Ų145.867%0.66872%0.717SS**Hα-helixtrans-76.8-42.5177.4-73.2-171.9-12.400112.2Q225 R226Q225-Q229 PolarHBondContact O-N 2.98Å; R226-Q229 PolarHBondContact O-N 2.97Å; R226-Q229 VanDerWaalsContact O-N 3.1Å
230T70.4Confident66.5Low113 Ų113149.4 Ų149.469%0.69371%0.713SS**Hα-helixtrans-90.5-1.5-17766.20000113.8R226R226-T230 HydrophobicContact CG-CG2 4.48Å; R226-T230 PolarHBondContact O-N 2.82Å; R226-T230 PolarHBondContact O-OG1 3.3Å
231G63.8Low66.9Low51 Ų51144.9 Ų144.953%0.52670%0.704SS.*THydrogen-bonded Turntrans-102.84.8-171.400000115.4R227 K233R227-G231 WeakPolarHBondContact O-CA 3.27Å; R227-G231 PolarHBondContact O-N 2.93Å; R227-G231 VanDerWaalsContact O-N 3.07Å; G231-K233 PolarHBondContact O-N 2.82Å
232K63.8Low66.4Low179 Ų179149.5 Ų149.578%0.77872%0.721SS**  trans-79.9106.3171.1-68.2-170.6176.8-172.40107.8T234K232-T234 PolarHBondContact O-N 3.02Å
233K61Low65.8Low189 Ų189154.8 Ų154.882%0.82274%0.738SS**  trans-61.7117.4164.7-67.3-177.6175.3-173.70106.6G231 D235G231-K233 PolarHBondContact O-N 2.82Å; K233-D235 PolarHBondContact O-N 2.93Å
234T57.6Low65.2Low106 Ų106153.3 Ų153.365%0.6574%0.736SS**  trans-72.3107.8161.242.90000105.9K232 H236K232-T234 PolarHBondContact O-N 3.02Å; T234-H236 PolarHBondContact O-N 3.19Å; T234-H236 VanDerWaalsContact O-N 3.16Å
235D55.3Low64.5Low142 Ų142153.4 Ų153.476%0.75974%0.741SS**  trans-64.5112.8165.5-63.4-35000106.3K233 L237K233-D235 PolarHBondContact O-N 2.93Å; D235-L237 PolarHBondContact O-N 2.9Å
236H51.6Low63.5Low167 Ų167157.5 Ų157.577%0.77376%0.762SS**  trans-77115.9169.4-68-32.8000106.7T234T234-H236 PolarHBondContact O-N 3.19Å; T234-H236 VanDerWaalsContact O-N 3.16Å
237L54.9Low62.2Low170 Ų170157.3 Ų157.389%0.8978%0.775SS**  trans-84.1132166.7-76.2163.4000107.5D235D235-L237 PolarHBondContact O-N 2.9Å
238D49.8Very low61.1Low240 Ų240153.8 Ų153.8100%1.28378%0.779SS**  trans-56.50178.1-64.9-47000113.6

Retrieved 238 of 238 residues in 54.3 ms (Link to these results)