A0A146MG44_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A146MG44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M44.2Very low51.8Low249 Ų249174.7 Ų174.7100%1.22788%0.875SS**  082.70-144.2175.8-73.900105.3
2E45.2Very low52Low187 Ų187169.4 Ų169.487%0.87486%0.862SS**  trans-85.2114.8-173.3-74.3163.6114.600109.8
3L55Low51.5Low174 Ų174168 Ų16891%0.91186%0.858SS**  trans-149.671.3157.3-76.3-177.9000108
4M56.6Low51.6Low180 Ų180166.7 Ų166.789%0.88785%0.854SS**  trans-146.882.1166.8-72.1-165.1-63.800108.1
5S59.7Low51.3Low109 Ų109165.6 Ų165.676%0.76285%0.851SS**  trans-165.39.1168.9-80.30000116.1E7S5-E7 PolarHBondContact O-N 3.46Å
6L53.1Low50.9Low172 Ų172164.9 Ų164.990%0.90185%0.849SS**THydrogen-bonded Turntrans-93.755.1-176.7-141.581.8000113.1
7E52.9Low50.6Low195 Ų195162.6 Ų162.691%0.91185%0.85SS**THydrogen-bonded Turntrans-130.9-1.3169.5-92.6-164.8125.900114.5S5S5-E7 PolarHBondContact O-N 3.46Å
8Q54.9Low50.1Low171 Ų171163.4 Ų163.480%0.79986%0.855SS**SBendtrans-98.28.7-163.9-142.9150.737.900116.6
9N52.5Low49.9Very low150 Ų150162.8 Ų162.880%0.80285%0.852SS**  trans-109.512.8-167.1-64.5-16.8000116
10M48.4Very low49.3Very low160 Ų160161.9 Ų161.979%0.78885%0.849SS**SBendtrans-92.6-5.2-176.2-167.1152.1154.900114.9
11F47.7Very low49.2Very low175 Ų175159 Ų15977%0.76884%0.842SS**  trans-127.3108.6178.8-62.4-74.4000111.3N13F11-N13 PolarHBondContact O-N 3.07Å
12P54.2Low49Very low111 Ų111153.2 Ų153.272%0.72182%0.82SS**  trans-75.8115.3170.428.8-28000109.4N14P12-N14 PolarHBondContact O-N 3.17Å
13N44.7Very low49.1Very low151 Ų151151.3 Ų151.381%0.80782%0.816SS**  trans-74113.9162-66.6-43.3000107.8F11F11-N13 PolarHBondContact O-N 3.07Å
14N53.6Low48.5Very low150 Ų150151.8 Ų151.880%0.80281%0.814SS**  trans-12699.7162.7-75.2-38000107.3P12P12-N14 PolarHBondContact O-N 3.17Å
15D46.1Very low48Very low150 Ų150150.5 Ų150.580%0.80281%0.81SS**  trans-74.5161.6155.6-75.5-51.7000109.6
16D46.3Very low47.7Very low154 Ų154150.6 Ų150.682%0.82481%0.811SS**  trans83.6107.1175.4-66.9-28.8000118.3
17C44.9Very low47.9Very low127 Ų127146.3 Ų146.386%0.85880%0.801SS**  -173.2105.6112.4-88.30000109.4N19C17-N19 PolarHBondContact O-N 2.8Å
18N42.5Very low48.2Very low176 Ų176142.5 Ų142.594%0.94179%0.792SS**  trans-58.4123.4155-105.7-23.6000108.5
19N45.6Very low48.4Very low152 Ų152138.8 Ų138.881%0.81379%0.791SS**  trans-146124.1154.9-155.57.5000109.5C17C17-N19 PolarHBondContact O-N 2.8Å
20D39Very low49.1Very low145 Ų145136.1 Ų136.178%0.77578%0.78SS**  trans-58.6144.2179.8-70.6-59.5000112.7
21S46.6Very low50.4Low100 Ų100133.9 Ų133.970%0.69977%0.767SS**  trans133.7111.7137.2-65.90000112.9
22V40.1Very low51.9Low129 Ų129130.1 Ų130.178%0.78276%0.759SS**  trans40.787.9134.7-173.30000114.5
23N47.2Very low53.1Low147 Ų147129 Ų12979%0.78675%0.746SS**  trans-133.7113.9145.1-79.8-54.1000108.9D25N23-D25 VanDerWaalsContact C-N 3.25Å; N23-D25 PolarHBondContact O-N 3.2Å
24Q41.2Very low55.1Low184 Ų184125.5 Ų125.586%0.8673%0.728SS**  trans-60.688.8160.8-67.5171.4-10.300107.7
25D47.8Very low56.8Low153 Ų153122 Ų12282%0.81871%0.712SS**  trans-10196.5162.9-93.1-27.4000108N23 A27N23-D25 VanDerWaalsContact C-N 3.25Å; N23-D25 PolarHBondContact O-N 3.2Å; D25-A27 PolarHBondContact O-N 2.8Å
26S51.6Low58.9Low110 Ų110120 Ų12077%0.76970%0.698SS**  trans-35.6108.3161-61.30000109.5P28S26-P28 VanDerWaalsContact O-N 3.14Å
27A59Low60.9Low83 Ų83119.6 Ų119.669%0.68669%0.685SS**  trans-49.4125.6149.800000105D25 A29D25-A27 PolarHBondContact O-N 2.8Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 2.91Å
28P57.9Low63Low114 Ų114119 Ų11974%0.7467%0.671SS**  trans-57108.1-179.821.9-30.4000105.8S26 V30S26-P28 VanDerWaalsContact O-N 3.14Å; P28-V30 PolarHBondContact O-N 3.43Å
29A60Low65.4Low94 Ų94116 Ų11678%0.77765%0.651SS**  trans-64.396.4175.700000104.3A27 H31A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 2.91Å; A29-H31 PolarHBondContact O-N 3.28Å
30V65.8Low67.6Low93 Ų93111.5 Ų111.556%0.56464%0.635SS**  trans-57.2111.1176.2-178.50000104.8P28 V32 D34 V35P28-V30 PolarHBondContact O-N 3.43Å; V30-V32 PolarHBondContact O-N 2.98Å; V30-D34 HydrophobicContact CG1-CB 4.02Å; V30-V35 HydrophobicContact CB-CG2 4.48Å; V30-V35 HydrophobicContact CG1-CG2 3.62Å
31H76.9Confident69.9Low113 Ų113113 Ų11352%0.52363%0.63SS.*  trans-61.6142.2-173.4-146.9-99.6000107.3A29 D33 D34 V35A29-H31 PolarHBondContact O-N 3.28Å; H31-D33 IonicContact CE1-OD2 3.67Å; H31-D33 PolarHBondContact CE1-OD2 3.45Å; H31-D33 IonicContact ND1-OD2 2.9Å; H31-D33 PolarHBondContact ND1-OD2 2.91Å; H31-D33 PolarHBondContact O-N 2.87Å; H31-D34 WeakPolarHBondContact O-CA 3.36Å; H31-D34 WeakPolarHBondContact O-CB 3.43Å; H31-D34 PolarHBondContact O-N 2.99Å; H31-V35 PolarHBondContact O-N 2.74Å
32V78.5Confident72Confident97 Ų97112.7 Ų112.759%0.58862%0.62SS**Hα-helixtrans-54.1-33.5177.61750000110.3V30 D34 V35 Q36V30-V32 PolarHBondContact O-N 2.98Å; V32-D34 VanDerWaalsContact C-N 3.33Å; V32-D34 PolarHBondContact O-N 2.76Å; V32-V35 PolarHBondContact O-N 2.91Å; V32-Q36 HydrophobicContact CG1-CG 4.33Å; V32-Q36 WeakPolarHBondContact O-CG 3.46Å; V32-Q36 PolarHBondContact O-N 3.15Å
33D80.7Confident74.4Confident86 Ų86111.5 Ų111.546%0.4661%0.609SS.*Hα-helixtrans-63.3-33.6173.9-58.4-41.5000113.7H31 R37H31-D33 IonicContact CE1-OD2 3.67Å; H31-D33 PolarHBondContact CE1-OD2 3.45Å; H31-D33 IonicContact ND1-OD2 2.9Å; H31-D33 PolarHBondContact ND1-OD2 2.91Å; H31-D33 PolarHBondContact O-N 2.87Å; D33-R37 WeakPolarHBondContact O-CB 3.44Å; D33-R37 PolarHBondContact O-N 3.45Å
34D86.1Confident76.4Confident78 Ų78110.8 Ų110.842%0.41760%0.599SS.*Hα-helixtrans-71.2-40.1175.8-68.3-35.6000110.9V30 H31 V32 R37 M38V30-D34 HydrophobicContact CG1-CB 4.02Å; H31-D34 WeakPolarHBondContact O-CA 3.36Å; H31-D34 WeakPolarHBondContact O-CB 3.43Å; H31-D34 PolarHBondContact O-N 2.99Å; V32-D34 VanDerWaalsContact C-N 3.33Å; V32-D34 PolarHBondContact O-N 2.76Å; D34-R37 PolarHBondContact O-N 2.83Å; D34-M38 WeakPolarHBondContact O-CB 3.36Å; D34-M38 PolarHBondContact O-N 2.88Å
35V88.1Confident78.4Confident78 Ų78104.9 Ų104.947%0.47357%0.573SS.*Hα-helixtrans-64-49.3175-177.50000110.4V30 H31 V32 R37 M38 E39V30-V35 HydrophobicContact CB-CG2 4.48Å; V30-V35 HydrophobicContact CG1-CG2 3.62Å; H31-V35 PolarHBondContact O-N 2.74Å; V32-V35 PolarHBondContact O-N 2.91Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.47Å; V35-M38 WeakPolarHBondContact O-CB 3.33Å; V35-M38 PolarHBondContact O-N 3.14Å; V35-M38 VanDerWaalsContact O-N 3.14Å; V35-E39 WeakPolarHBondContact O-CB 3.44Å; V35-E39 PolarHBondContact O-N 2.9Å
36Q90.3Very high80.3Confident108 Ų108102.2 Ų102.251%0.50556%0.558SS.*Hα-helixtrans-62.5-38.7177.9-72.3179.23.100111.8V32 M38 E39 A40V32-Q36 HydrophobicContact CG1-CG 4.33Å; V32-Q36 WeakPolarHBondContact O-CG 3.46Å; V32-Q36 PolarHBondContact O-N 3.15Å; Q36-M38 VanDerWaalsContact C-N 3.35Å; Q36-E39 PolarHBondContact O-N 3.22Å; Q36-A40 WeakPolarHBondContact O-CB 3.36Å; Q36-A40 PolarHBondContact O-N 3.08Å
37R90Very high82Confident145 Ų145101.9 Ų101.955%0.54755%0.548SS..Hα-helixtrans-65.8-38.7174.9-175-177.3-62.1-170.60.8111.7D33 D34 V35 R41D33-R37 WeakPolarHBondContact O-CB 3.44Å; D33-R37 PolarHBondContact O-N 3.45Å; D34-R37 PolarHBondContact O-N 2.83Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.47Å; R37-R41 VanDerWaalsContact O-CG 3.29Å; R37-R41 WeakPolarHBondContact O-CG 3.1Å; R37-R41 PolarHBondContact O-N 2.9Å; R37-R41 VanDerWaalsContact O-N 3.12Å
38M88Confident83.1Confident114 Ų114100.1 Ų100.156%0.56253%0.525SS*.Hα-helixtrans-65.7-47.3175.1-171.7-177.4-54.100110.9D34 V35 Q36 A40 R41 L42D34-M38 WeakPolarHBondContact O-CB 3.36Å; D34-M38 PolarHBondContact O-N 2.88Å; V35-M38 WeakPolarHBondContact O-CB 3.33Å; V35-M38 PolarHBondContact O-N 3.14Å; V35-M38 VanDerWaalsContact O-N 3.14Å; Q36-M38 VanDerWaalsContact C-N 3.35Å; M38-A40 PolarHBondContact O-N 3.12Å; M38-R41 WeakPolarHBondContact O-CB 3.36Å; M38-R41 PolarHBondContact O-N 3.4Å; M38-R41 VanDerWaalsContact O-N 3.15Å; M38-L42 HydrophobicContact CG-CD1 4.24Å; M38-L42 WeakPolarHBondContact O-CG 3.45Å; M38-L42 PolarHBondContact O-N 2.83Å
39E93.2Very high84.3Confident112 Ų11299.6 Ų99.652%0.52351%0.511SS..Hα-helixtrans-56.9-48.9175.7-176.6-176.2-166.900111.4V35 Q36 R41 L42 L43V35-E39 WeakPolarHBondContact O-CB 3.44Å; V35-E39 PolarHBondContact O-N 2.9Å; Q36-E39 PolarHBondContact O-N 3.22Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.07Å; E39-L42 PolarHBondContact O-N 3.47Å; E39-L42 VanDerWaalsContact O-N 3.08Å; E39-L43 HydrophobicContact CG-CD1 4.11Å; E39-L43 HydrophobicContact CG-CG 4.42Å; E39-L43 WeakPolarHBondContact O-CG 3.36Å; E39-L43 PolarHBondContact O-N 2.93Å
40A91.6Very high85.5Confident59 Ų59101.6 Ų101.649%0.48851%0.509SS..Hα-helixtrans-59.2-38.2177.100000112.4Q36 M38 K44Q36-A40 WeakPolarHBondContact O-CB 3.36Å; Q36-A40 PolarHBondContact O-N 3.08Å; M38-A40 PolarHBondContact O-N 3.12Å; A40-K44 WeakPolarHBondContact O-CB 3.29Å; A40-K44 PolarHBondContact O-N 3.3Å
41R87.3Confident86.2Confident176 Ų176101.4 Ų101.466%0.66451%0.508SS*.Hα-helixtrans-67.3-41.5174.3-73.8174.9-178.7-170.71111.8R37 M38 E39 K44 L45R37-R41 VanDerWaalsContact O-CG 3.29Å; R37-R41 WeakPolarHBondContact O-CG 3.1Å; R37-R41 PolarHBondContact O-N 2.9Å; R37-R41 VanDerWaalsContact O-N 3.12Å; M38-R41 WeakPolarHBondContact O-CB 3.36Å; M38-R41 PolarHBondContact O-N 3.4Å; M38-R41 VanDerWaalsContact O-N 3.15Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.07Å; R41-K44 PolarHBondContact O-N 3.33Å; R41-L45 WeakPolarHBondContact O-CB 3.37Å; R41-L45 PolarHBondContact O-N 2.93Å
42L90.1Very high85.9Confident94 Ų9499.3 Ų99.349%0.49252%0.517SS..Hα-helixtrans-67.5-41.5178.2-69.3174.7000112.1M38 E39 L45 L46M38-L42 HydrophobicContact CG-CD1 4.24Å; M38-L42 WeakPolarHBondContact O-CG 3.45Å; M38-L42 PolarHBondContact O-N 2.83Å; E39-L42 PolarHBondContact O-N 3.47Å; E39-L42 VanDerWaalsContact O-N 3.08Å; L42-L45 VanDerWaalsContact O-CB 3.31Å; L42-L45 WeakPolarHBondContact O-CB 3.31Å; L42-L45 PolarHBondContact O-N 3.27Å; L42-L46 WeakPolarHBondContact O-CG 3.41Å; L42-L46 PolarHBondContact O-N 3.22Å
43L91.8Very high85.5Confident103 Ų103101 Ų10154%0.53952%0.516SS..Hα-helixtrans-63.7-42.7175.1-71.9174.4000111.6E39 L45 L46 D47E39-L43 HydrophobicContact CG-CD1 4.11Å; E39-L43 HydrophobicContact CG-CG 4.42Å; E39-L43 WeakPolarHBondContact O-CG 3.36Å; E39-L43 PolarHBondContact O-N 2.93Å; L43-L45 VanDerWaalsContact C-N 3.31Å; L43-L45 PolarHBondContact O-N 3.31Å; L43-L46 PolarHBondContact O-N 3.41Å; L43-D47 PolarHBondContact O-N 3.23Å
44K87.8Confident84.6Confident132 Ų132100.5 Ų100.557%0.57452%0.519SS*.Hα-helixtrans-60.9-42.1172.8-172.6-173.5-179.3-154.40111.6A40 R41 L46 D47 E48A40-K44 WeakPolarHBondContact O-CB 3.29Å; A40-K44 PolarHBondContact O-N 3.3Å; R41-K44 PolarHBondContact O-N 3.33Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 2.91Å; K44-D47 PolarHBondContact O-N 3.04Å; K44-E48 WeakPolarHBondContact CE-OE1 3.5Å; K44-E48 IonicContact NZ-OE1 3.2Å; K44-E48 WeakPolarHBondContact O-CB 3.1Å; K44-E48 WeakPolarHBondContact O-CG 3.14Å; K44-E48 PolarHBondContact O-N 2.92Å
45L83.2Confident83.3Confident61 Ų6197.5 Ų97.532%0.31951%0.505SS..Hα-helixtrans-59.9-44.1176.3-159.779.1000111.2R41 L42 L43 E48 F49R41-L45 WeakPolarHBondContact O-CB 3.37Å; R41-L45 PolarHBondContact O-N 2.93Å; L42-L45 VanDerWaalsContact O-CB 3.31Å; L42-L45 WeakPolarHBondContact O-CB 3.31Å; L42-L45 PolarHBondContact O-N 3.27Å; L43-L45 VanDerWaalsContact C-N 3.31Å; L43-L45 PolarHBondContact O-N 3.31Å; L45-E48 PolarHBondContact O-N 3.49Å; L45-F49 HydrophobicContact CD2-CE2 3.94Å; L45-F49 HydrophobicContact CG-CD2 4.07Å; L45-F49 HydrophobicContact CG-CE2 3.82Å; L45-F49 WeakPolarHBondContact O-CD2 3.49Å; L45-F49 PolarHBondContact O-N 3.48Å
46L88Confident82.1Confident96 Ų9699 Ų9950%0.50351%0.505SS..Hα-helixtrans-64.5-42.1177.1-75.3170.4000112.3L42 L43 K44 F49 N50L42-L46 WeakPolarHBondContact O-CG 3.41Å; L42-L46 PolarHBondContact O-N 3.22Å; L43-L46 PolarHBondContact O-N 3.41Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 2.91Å; L46-F49 PolarHBondContact O-N 3.38Å; L46-N50 WeakPolarHBondContact O-CB 2.81Å; L46-N50 VanDerWaalsContact O-CG 3.28Å; L46-N50 PolarHBondContact O-N 2.93Å; L46-N50 PolarHBondContact O-ND2 2.86Å
47D87.4Confident80.6Confident104 Ų10495.2 Ų95.256%0.55650%0.495SS*.Hα-helixtrans-62-44.6174.7-170.748.9000111.2L43 K44 F49 N50 V51L43-D47 PolarHBondContact O-N 3.23Å; K44-D47 PolarHBondContact O-N 3.04Å; D47-F49 PolarHBondContact O-N 3.46Å; D47-N50 PolarHBondContact O-N 3Å; D47-V51 WeakPolarHBondContact O-CG2 3.3Å; D47-V51 PolarHBondContact O-N 3.38Å; D47-V51 VanDerWaalsContact O-N 3.16Å
48E83.1Confident79.1Confident45 Ų4594.7 Ų94.721%0.2151%0.51CS..Hα-helixtrans-58.7-43.9173.8-73.9175.3-173.400112.1K44 L45 V51 G52 K53K44-E48 WeakPolarHBondContact CE-OE1 3.5Å; K44-E48 IonicContact NZ-OE1 3.2Å; K44-E48 WeakPolarHBondContact O-CB 3.1Å; K44-E48 WeakPolarHBondContact O-CG 3.14Å; K44-E48 PolarHBondContact O-N 2.92Å; L45-E48 PolarHBondContact O-N 3.49Å; E48-V51 WeakPolarHBondContact O-CG2 3.14Å; E48-V51 PolarHBondContact O-N 3.44Å; E48-G52 PolarHBondContact O-N 2.86Å; E48-K53 HydrophobicContact CB-CB 4.09Å; E48-K53 HydrophobicContact CG-CD 4.29Å; E48-K53 WeakPolarHBondContact O-CA 3.35Å; E48-K53 WeakPolarHBondContact O-CB 3.47Å; E48-K53 PolarHBondContact O-N 3.34Å
49F82.6Confident77.8Confident103 Ų10395.4 Ų95.445%0.45252%0.516SS..Hα-helixtrans-62-43.1174.8-86.5-65.2000112.7L45 L46 D47 V51 G52 S55 F56L45-F49 HydrophobicContact CD2-CE2 3.94Å; L45-F49 HydrophobicContact CG-CD2 4.07Å; L45-F49 HydrophobicContact CG-CE2 3.82Å; L45-F49 WeakPolarHBondContact O-CD2 3.49Å; L45-F49 PolarHBondContact O-N 3.48Å; L46-F49 PolarHBondContact O-N 3.38Å; D47-F49 PolarHBondContact O-N 3.46Å; F49-V51 VanDerWaalsContact C-N 3.3Å; F49-V51 PolarHBondContact O-N 3.16Å; F49-G52 PolarHBondContact O-N 3.44Å; F49-S55 VanDerWaalsContact CE1-OG 3.3Å; F49-S55 WeakPolarHBondContact CE1-OG 3.4Å; F49-S55 WeakPolarHBondContact CE2-OG 3.37Å; F49-S55 WeakPolarHBondContact CZ-OG 3.45Å; F49-F56 HydrophobicContact CZ-CE2 4.13Å
50N84Confident76.4Confident136 Ų13691.6 Ų91.673%0.72750%0.502SS*.Hα-helixtrans-65.7-31.3-178.1-75.2-30.8000112.9L46 D47 G52L46-N50 WeakPolarHBondContact O-CB 2.81Å; L46-N50 VanDerWaalsContact O-CG 3.28Å; L46-N50 PolarHBondContact O-N 2.93Å; L46-N50 PolarHBondContact O-ND2 2.86Å; D47-N50 PolarHBondContact O-N 3Å; N50-G52 VanDerWaalsContact C-N 3.3Å
51V82.4Confident75.5Confident90 Ų9090.4 Ų90.455%0.54549%0.489SS..THydrogen-bonded Turntrans-89.27174.4-57.80000113.3D47 E48 F49 K53D47-V51 WeakPolarHBondContact O-CG2 3.3Å; D47-V51 PolarHBondContact O-N 3.38Å; D47-V51 VanDerWaalsContact O-N 3.16Å; E48-V51 WeakPolarHBondContact O-CG2 3.14Å; E48-V51 PolarHBondContact O-N 3.44Å; F49-V51 VanDerWaalsContact C-N 3.3Å; F49-V51 PolarHBondContact O-N 3.16Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 HydrophobicContact CG2-CB 4.33Å; V51-K53 HydrophobicContact CG2-CD 3.88Å; V51-K53 HydrophobicContact CG2-CG 3.9Å; V51-K53 PolarHBondContact O-N 2.92Å
52G70.6Confident75.1Confident69 Ų6987.9 Ų87.971%0.71148%0.48SS*.THydrogen-bonded Turntrans73.914.7178.800000114.8E48 F49 N50 S54E48-G52 PolarHBondContact O-N 2.86Å; F49-G52 PolarHBondContact O-N 3.44Å; N50-G52 VanDerWaalsContact C-N 3.3Å; G52-S54 PolarHBondContact O-N 3.46Å
53K69Low74.7Confident131 Ų13190.9 Ų90.957%0.5749%0.492SS*.  trans-72.3128169.9-73.7172.6-176.1172.80108E48 V51 S55E48-K53 HydrophobicContact CB-CB 4.09Å; E48-K53 HydrophobicContact CG-CD 4.29Å; E48-K53 WeakPolarHBondContact O-CA 3.35Å; E48-K53 WeakPolarHBondContact O-CB 3.47Å; E48-K53 PolarHBondContact O-N 3.34Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 HydrophobicContact CG2-CB 4.33Å; V51-K53 HydrophobicContact CG2-CD 3.88Å; V51-K53 HydrophobicContact CG2-CG 3.9Å; V51-K53 PolarHBondContact O-N 2.92Å; K53-S55 VanDerWaalsContact C-N 3.35Å; K53-S55 PolarHBondContact O-N 3.37Å
54S62.9Low74.4Confident76 Ų7691 Ų9153%0.53149%0.488SS..  trans-61.2102.4168.5-177.50000107.7G52 F56 G57G52-S54 PolarHBondContact O-N 3.46Å; S54-F56 PolarHBondContact O-N 3Å; S54-G57 PolarHBondContact O-N 3.43Å
55S58.8Low74.4Confident15 Ų1588.1 Ų88.111%0.10548%0.479CS..THydrogen-bonded Turntrans-61.2-10.7-177.366.40000113.1F49 K53 G57F49-S55 VanDerWaalsContact CE1-OG 3.3Å; F49-S55 WeakPolarHBondContact CE1-OG 3.4Å; F49-S55 WeakPolarHBondContact CE2-OG 3.37Å; F49-S55 WeakPolarHBondContact CZ-OG 3.45Å; K53-S55 VanDerWaalsContact C-N 3.35Å; K53-S55 PolarHBondContact O-N 3.37Å; S55-G57 VanDerWaalsContact C-N 3.34Å
56F62.2Low74.7Confident111 Ų11188.7 Ų88.749%0.48748%0.482SS..THydrogen-bonded Turntrans-90.74.7174.5-57.8-76.7000113.9F49 S54 C60 Y62F49-F56 HydrophobicContact CZ-CE2 4.13Å; S54-F56 PolarHBondContact O-N 3Å; F56-C60 HydrophobicContact CB-CB 3.57Å; F56-C60 WeakPolarHBondContact CB-SG 3.37Å; F56-C60 WeakPolarHBondContact O-CB 3.17Å; F56-Y62 HydrophobicContact CB-CD2 4.36Å; F56-Y62 HydrophobicContact CB-CE2 3.94Å; F56-Y62 AromaticContact CD1-CE2 3.71Å; F56-Y62 HydrophobicContact CD1-CE2 3.71Å; F56-Y62 HydrophobicContact CD2-CD2 4.19Å; F56-Y62 AromaticContact CD2-CE2 3.67Å; F56-Y62 HydrophobicContact CD2-CE2 3.67Å; F56-Y62 HydrophobicContact CE1-CE2 4.05Å; F56-Y62 HydrophobicContact CE2-CE2 4.02Å; F56-Y62 HydrophobicContact CG-CD2 4.23Å; F56-Y62 AromaticContact CG-CE2 3.5Å; F56-Y62 HydrophobicContact CG-CE2 3.5Å; F56-Y62 HydrophobicContact CZ-CE2 4.19Å
57G58.2Low74.7Confident28 Ų2886.8 Ų86.829%0.28948%0.477SS..  trans80.4159.7177.300000113.6S54 S55 N59 C60S54-G57 PolarHBondContact O-N 3.43Å; S55-G57 VanDerWaalsContact C-N 3.34Å; G57-N59 PolarHBondContact O-N 3.08Å; G57-N59 VanDerWaalsContact O-N 3.08Å; G57-C60 WeakPolarHBondContact O-CB 2.98Å; G57-C60 PolarHBondContact O-N 3.19Å
58P58.3Low75Confident133 Ų13382.5 Ų82.586%0.86445%0.453SS*.THydrogen-bonded Turntrans-64.9-14.6-178.527.4-35.3000113.4
59N61.8Low75.5Confident129 Ų12987 Ų8769%0.6947%0.468SS*.THydrogen-bonded Turntrans-99.510.6177.3-62.4-38.9000112.6G57 P61G57-N59 PolarHBondContact O-N 3.08Å; G57-N59 VanDerWaalsContact O-N 3.08Å; N59-P61 VanDerWaalsContact O-CD 3.29Å; N59-P61 WeakPolarHBondContact O-CD 3.29Å
60C62.8Low76.1Confident32 Ų3285.6 Ų85.622%0.21647%0.466CS..  trans-64.8120.7178.5-162.70000110.2F56 G57 Y62F56-C60 HydrophobicContact CB-CB 3.57Å; F56-C60 WeakPolarHBondContact CB-SG 3.37Å; F56-C60 WeakPolarHBondContact O-CB 3.17Å; G57-C60 WeakPolarHBondContact O-CB 2.98Å; G57-C60 PolarHBondContact O-N 3.19Å; C60-Y62 HydrophobicContact CB-CD2 4.25Å; C60-Y62 PolarHBondContact O-N 2.73Å; C60-Y62 VanDerWaalsContact O-N 3.09Å; C60-Y62 WeakPolarHBondContact SG-CD2 3.31Å; C60-Y62 WeakPolarHBondContact SG-CE2 3.41Å
61P73Confident76.7Confident34 Ų3481.5 Ų81.522%0.22144%0.442CS..THydrogen-bonded Turntrans-77.69.1-175.332.4-35.6000112.9N59 E63 K64 L65 L134N59-P61 VanDerWaalsContact O-CD 3.29Å; N59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-E63 PolarHBondContact O-N 3.09Å; P61-K64 CarbonylContact O-C 3.52Å; P61-K64 WeakPolarHBondContact O-CA 3.38Å; P61-K64 WeakPolarHBondContact O-CB 3.33Å; P61-K64 PolarHBondContact O-N 3.21Å; P61-L65 HydrophobicContact CB-CD1 4.24Å; P61-L65 HydrophobicContact CB-CG 4.19Å; P61-L65 HydrophobicContact CG-CD1 3.9Å; P61-L65 HydrophobicContact CG-CG 4.38Å; P61-L65 WeakPolarHBondContact O-CB 3.47Å; P61-L65 WeakPolarHBondContact O-CG 3.37Å; P61-L65 PolarHBondContact O-N 2.9Å; P61-L134 HydrophobicContact CB-CD1 3.58Å
62Y79.1Confident77.3Confident123 Ų12381.7 Ų81.748%0.48244%0.437SS..Hα-helixtrans-54.2-47-173.5-74.9-49.9000113.3F56 C60 K64 L65 D66F56-Y62 HydrophobicContact CB-CD2 4.36Å; F56-Y62 HydrophobicContact CB-CE2 3.94Å; F56-Y62 AromaticContact CD1-CE2 3.71Å; F56-Y62 HydrophobicContact CD1-CE2 3.71Å; F56-Y62 HydrophobicContact CD2-CD2 4.19Å; F56-Y62 AromaticContact CD2-CE2 3.67Å; F56-Y62 HydrophobicContact CD2-CE2 3.67Å; F56-Y62 HydrophobicContact CE1-CE2 4.05Å; F56-Y62 HydrophobicContact CE2-CE2 4.02Å; F56-Y62 HydrophobicContact CG-CD2 4.23Å; F56-Y62 AromaticContact CG-CE2 3.5Å; F56-Y62 HydrophobicContact CG-CE2 3.5Å; F56-Y62 HydrophobicContact CZ-CE2 4.19Å; C60-Y62 HydrophobicContact CB-CD2 4.25Å; C60-Y62 PolarHBondContact O-N 2.73Å; C60-Y62 VanDerWaalsContact O-N 3.09Å; C60-Y62 WeakPolarHBondContact SG-CD2 3.31Å; C60-Y62 WeakPolarHBondContact SG-CE2 3.41Å; Y62-K64 PolarHBondContact O-N 3.16Å; Y62-L65 HydrophobicContact CD1-CD1 4.49Å; Y62-L65 CarbonylContact O-C 3.59Å; Y62-L65 PolarHBondContact O-N 3.28Å; Y62-L65 VanDerWaalsContact O-N 3.16Å; Y62-D66 VanDerWaalsContact O-CB 3.31Å; Y62-D66 WeakPolarHBondContact O-CB 3.43Å; Y62-D66 PolarHBondContact O-N 3.29Å
63E81.3Confident78.5Confident157 Ų15781 Ų8173%0.73442%0.416SS*.Hα-helixtrans-59.6-37.9177.2-62.7-59.2144.500112P61 S67P61-E63 PolarHBondContact O-N 3.09Å; E63-S67 VanDerWaalsContact O-CB 3.32Å; E63-S67 WeakPolarHBondContact O-CB 3.36Å; E63-S67 PolarHBondContact O-N 2.95Å
64K85.2Confident79.8Confident105 Ų10578.7 Ų78.746%0.45741%0.407SS..Hα-helixtrans-72.5-40.1177.2-63.2179.9-179.4176.20111.5P61 Y62 S67 I68 L134P61-K64 CarbonylContact O-C 3.52Å; P61-K64 WeakPolarHBondContact O-CA 3.38Å; P61-K64 WeakPolarHBondContact O-CB 3.33Å; P61-K64 PolarHBondContact O-N 3.21Å; Y62-K64 PolarHBondContact O-N 3.16Å; K64-S67 WeakPolarHBondContact O-CB 3.42Å; K64-S67 PolarHBondContact O-N 3.29Å; K64-I68 VanDerWaalsContact O-CG1 3.29Å; K64-I68 WeakPolarHBondContact O-CG1 3.46Å; K64-I68 PolarHBondContact O-N 3.35Å; K64-L134 HydrophobicContact CB-CD1 4.07Å
65L89.3Confident81.4Confident73 Ų7376.1 Ų76.138%0.38239%0.387SS..Hα-helixtrans-66.5-40.7176.6-72.6173.5000111.1P61 Y62 I68 R69 L134P61-L65 HydrophobicContact CB-CD1 4.24Å; P61-L65 HydrophobicContact CB-CG 4.19Å; P61-L65 HydrophobicContact CG-CD1 3.9Å; P61-L65 HydrophobicContact CG-CG 4.38Å; P61-L65 WeakPolarHBondContact O-CB 3.47Å; P61-L65 WeakPolarHBondContact O-CG 3.37Å; P61-L65 PolarHBondContact O-N 2.9Å; Y62-L65 HydrophobicContact CD1-CD1 4.49Å; Y62-L65 CarbonylContact O-C 3.59Å; Y62-L65 PolarHBondContact O-N 3.28Å; Y62-L65 VanDerWaalsContact O-N 3.16Å; L65-I68 PolarHBondContact O-N 3.37Å; L65-R69 WeakPolarHBondContact O-CB 3.4Å; L65-R69 PolarHBondContact O-N 3.48Å; L65-L134 HydrophobicContact CD2-CD1 4.11Å; L65-L134 HydrophobicContact CD2-CD2 3.53Å; L65-L134 HydrophobicContact CD2-CG 4.48Å; L65-L134 HydrophobicContact CG-CD1 4.28Å
66D88.2Confident83Confident72 Ų7280.3 Ų80.339%0.38541%0.406SS..Hα-helixtrans-65.7-42.1174.8-166.370.3000110.3Y62 I68 R69 N70Y62-D66 VanDerWaalsContact O-CB 3.31Å; Y62-D66 WeakPolarHBondContact O-CB 3.43Å; Y62-D66 PolarHBondContact O-N 3.29Å; D66-I68 PolarHBondContact O-N 2.9Å; D66-R69 WeakPolarHBondContact O-CB 3.29Å; D66-R69 PolarHBondContact O-N 3.31Å; D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 PolarHBondContact O-N 2.81Å; D66-N70 PolarHBondContact O-ND2 2.75Å; D66-N70 PolarHBondContact OD2-ND2 2.95Å
67S89.2Confident84.7Confident57 Ų5782.1 Ų82.140%0.39941%0.41SS..Hα-helixtrans-58.3-45.9171.2-176.20000112.6E63 K64 N70 Q71E63-S67 VanDerWaalsContact O-CB 3.32Å; E63-S67 WeakPolarHBondContact O-CB 3.36Å; E63-S67 PolarHBondContact O-N 2.95Å; K64-S67 WeakPolarHBondContact O-CB 3.42Å; K64-S67 PolarHBondContact O-N 3.29Å; S67-N70 PolarHBondContact O-N 3.44Å; S67-Q71 WeakPolarHBondContact O-CG 3.32Å; S67-Q71 PolarHBondContact O-N 2.9Å
68I92.6Very high86.5Confident13 Ų1381.8 Ų81.87%0.06740%0.401CS..Hα-helixtrans-62-44.4175.7-73.7164.6000110.9K64 L65 D66 N70 Q71 Q72 L127 A130 I131 L134K64-I68 VanDerWaalsContact O-CG1 3.29Å; K64-I68 WeakPolarHBondContact O-CG1 3.46Å; K64-I68 PolarHBondContact O-N 3.35Å; L65-I68 PolarHBondContact O-N 3.37Å; D66-I68 PolarHBondContact O-N 2.9Å; I68-N70 VanDerWaalsContact C-N 3.34Å; I68-N70 PolarHBondContact O-N 3.31Å; I68-Q71 WeakPolarHBondContact O-CB 3.38Å; I68-Q71 PolarHBondContact O-N 3.41Å; I68-Q72 WeakPolarHBondContact O-CG 3.35Å; I68-Q72 PolarHBondContact O-N 2.95Å; I68-L127 HydrophobicContact CG2-CD1 3.91Å; I68-A130 HydrophobicContact CD1-CB 4.47Å; I68-A130 HydrophobicContact CG1-CB 3.82Å; I68-I131 HydrophobicContact CD1-CG1 4.22Å; I68-I131 HydrophobicContact CG1-CG1 4.46Å; I68-I131 HydrophobicContact CG2-CG1 4.19Å; I68-L134 HydrophobicContact CD1-CB 4Å; I68-L134 HydrophobicContact CD1-CD2 3.76Å; I68-L134 HydrophobicContact CD1-CG 4.32Å
69R94.5Very high88.2Confident139 Ų13979.5 Ų79.553%0.52538%0.379SS..Hα-helixtrans-58.1-48.3175.7178.3-168.1169.5-177.52.4110.6L65 D66 Q71 Q72 E73L65-R69 WeakPolarHBondContact O-CB 3.4Å; L65-R69 PolarHBondContact O-N 3.48Å; D66-R69 WeakPolarHBondContact O-CB 3.29Å; D66-R69 PolarHBondContact O-N 3.31Å; R69-Q71 VanDerWaalsContact C-N 3.3Å; R69-Q71 PolarHBondContact O-N 2.82Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3.12Å; R69-Q72 VanDerWaalsContact O-N 3.12Å; R69-E73 HydrophobicContact CG-CG 4.5Å; R69-E73 IonicContact CZ-OE1 3.55Å; R69-E73 IonicContact NE-OE1 3.21Å; R69-E73 PolarHBondContact NE-OE1 2.89Å; R69-E73 IonicContact NH2-OE1 2.8Å; R69-E73 PolarHBondContact NH2-OE1 3.24Å; R69-E73 WeakPolarHBondContact O-CG 3.33Å; R69-E73 PolarHBondContact O-N 3.38Å
70N94.6Very high89.8Confident74 Ų7479.6 Ų79.640%0.39637%0.373SS..Hα-helixtrans-59.9-41.9178.5-70.2-35.6000111.4D66 S67 I68 Q72 E73 E74D66-N70 WeakPolarHBondContact O-CB 3.44Å; D66-N70 PolarHBondContact O-N 2.81Å; D66-N70 PolarHBondContact O-ND2 2.75Å; D66-N70 PolarHBondContact OD2-ND2 2.95Å; S67-N70 PolarHBondContact O-N 3.44Å; I68-N70 VanDerWaalsContact C-N 3.34Å; I68-N70 PolarHBondContact O-N 3.31Å; N70-Q72 PolarHBondContact O-N 3.03Å; N70-E73 PolarHBondContact O-N 3.19Å; N70-E74 WeakPolarHBondContact O-CB 3.47Å; N70-E74 PolarHBondContact O-N 3.18Å
71Q95.8Very high91.3Very high50 Ų5082 Ų8223%0.23438%0.381CS..Hα-helixtrans-62.1-41.1174.3-72.9178.2-22.800112.5S67 I68 R69 E74 L75 L127S67-Q71 WeakPolarHBondContact O-CG 3.32Å; S67-Q71 PolarHBondContact O-N 2.9Å; I68-Q71 WeakPolarHBondContact O-CB 3.38Å; I68-Q71 PolarHBondContact O-N 3.41Å; R69-Q71 VanDerWaalsContact C-N 3.3Å; R69-Q71 PolarHBondContact O-N 2.82Å; Q71-E74 PolarHBondContact O-N 3Å; Q71-L75 PolarHBondContact O-N 3.06Å; Q71-L127 HydrophobicContact CB-CD1 4.03Å
72Q95.3Very high92.4Very high94 Ų9480.8 Ų80.844%0.43937%0.373SS..Hα-helixtrans-64.3-45175.3-71.5173.5-19.100111.8I68 R69 N70 E74 L75 M76 L127I68-Q72 WeakPolarHBondContact O-CG 3.35Å; I68-Q72 PolarHBondContact O-N 2.95Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3.12Å; R69-Q72 VanDerWaalsContact O-N 3.12Å; N70-Q72 PolarHBondContact O-N 3.03Å; Q72-E74 VanDerWaalsContact C-N 3.33Å; Q72-E74 PolarHBondContact O-N 3.24Å; Q72-L75 WeakPolarHBondContact O-CB 3.48Å; Q72-L75 PolarHBondContact O-N 3.29Å; Q72-M76 WeakPolarHBondContact O-CG 3.06Å; Q72-M76 PolarHBondContact O-N 3.48Å; Q72-L127 HydrophobicContact CG-CD1 3.95Å; Q72-L127 HydrophobicContact CG-CD2 3.95Å
73E96.8Very high93Very high55 Ų5578.1 Ų78.126%0.25737%0.367SS..Hα-helixtrans-64.7-38.1177.5-66.2-176.1-171.200111.9R69 N70 M76 R77R69-E73 HydrophobicContact CG-CG 4.5Å; R69-E73 IonicContact CZ-OE1 3.55Å; R69-E73 IonicContact NE-OE1 3.21Å; R69-E73 PolarHBondContact NE-OE1 2.89Å; R69-E73 IonicContact NH2-OE1 2.8Å; R69-E73 PolarHBondContact NH2-OE1 3.24Å; R69-E73 WeakPolarHBondContact O-CG 3.33Å; R69-E73 PolarHBondContact O-N 3.38Å; N70-E73 PolarHBondContact O-N 3.19Å; E73-M76 PolarHBondContact O-N 2.98Å; E73-R77 VanDerWaalsContact CB-NH1 3.26Å; E73-R77 WeakPolarHBondContact O-CG 3.43Å; E73-R77 PolarHBondContact O-N 3.35Å; E73-R77 IonicContact OE2-CZ 3.51Å; E73-R77 IonicContact OE2-NH1 2.7Å; E73-R77 IonicContact OE2-NH2 3.1Å; E73-R77 PolarHBondContact OE2-NH2 3.23Å
74E95.5Very high93.6Very high82 Ų8278.7 Ų78.738%0.38336%0.362SS..Hα-helixtrans-65.8-39.6175.9-163.3-177.8179.400112.1N70 Q71 Q72 M76 R77 L78 R123N70-E74 WeakPolarHBondContact O-CB 3.47Å; N70-E74 PolarHBondContact O-N 3.18Å; Q71-E74 PolarHBondContact O-N 3Å; Q72-E74 VanDerWaalsContact C-N 3.33Å; Q72-E74 PolarHBondContact O-N 3.24Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-R77 PolarHBondContact O-N 2.95Å; E74-L78 WeakPolarHBondContact O-CB 3.31Å; E74-L78 PolarHBondContact O-N 3.42Å; E74-R123 VanDerWaalsContact CD-CZ 3.46Å; E74-R123 IonicContact OE1-CZ 2.73Å; E74-R123 IonicContact OE1-NH1 2.88Å; E74-R123 PolarHBondContact OE1-NH1 3.24Å; E74-R123 IonicContact OE1-NH2 3.89Å; E74-R123 PolarHBondContact OE1-NH2 3.41Å; E74-R123 IonicContact OE2-CZ 2.9Å; E74-R123 IonicContact OE2-NH1 2.91Å; E74-R123 PolarHBondContact OE2-NH1 2.93Å
75L96.2Very high93.8Very high22 Ų2277.9 Ų77.912%0.11536%0.359CS..Hα-helixtrans-59.2-44.2171.2-86.9167.3000111.9Q71 Q72 L78 H79 L120 R123 L124 L127Q71-L75 PolarHBondContact O-N 3.06Å; Q72-L75 WeakPolarHBondContact O-CB 3.48Å; Q72-L75 PolarHBondContact O-N 3.29Å; L75-L78 PolarHBondContact O-N 3.31Å; L75-H79 PolarHBondContact O-N 3.03Å; L75-L120 HydrophobicContact CD2-CD2 4.49Å; L75-R123 HydrophobicContact CD2-CB 3.42Å; L75-R123 VanDerWaalsContact CD2-CB 3.42Å; L75-R123 HydrophobicContact CD2-CG 4.39Å; L75-R123 HydrophobicContact CG-CB 4.03Å; L75-L124 HydrophobicContact CD1-CD2 4.08Å; L75-L124 HydrophobicContact CD2-CD2 4.47Å; L75-L124 HydrophobicContact CD2-CG 4.41Å; L75-L127 HydrophobicContact CD1-CB 4.22Å; L75-L127 HydrophobicContact CD1-CD2 3.55Å; L75-L127 HydrophobicContact CD1-CG 4.49Å
76M94.2Very high93.8Very high103 Ų10376.1 Ų76.151%0.50735%0.349SS..Hα-helixtrans-63.6-43.8176.6-71.6-56.5-57.300112Q72 E73 E74 L78 H79 F80Q72-M76 WeakPolarHBondContact O-CG 3.06Å; Q72-M76 PolarHBondContact O-N 3.48Å; E73-M76 PolarHBondContact O-N 2.98Å; E74-M76 VanDerWaalsContact C-N 3.34Å; M76-L78 VanDerWaalsContact C-N 3.34Å; M76-L78 PolarHBondContact O-N 3.49Å; M76-H79 WeakPolarHBondContact O-CB 3.45Å; M76-H79 PolarHBondContact O-N 3.03Å; M76-F80 HydrophobicContact CE-CE2 3.89Å; M76-F80 HydrophobicContact CE-CZ 4.03Å; M76-F80 WeakPolarHBondContact O-CD2 3.36Å; M76-F80 PolarHBondContact O-N 3.4Å
77R96.6Very high93.8Very high150 Ų15078.5 Ų78.557%0.56636%0.359SS*.Hα-helixtrans-60.6-44.3175.2-70.6178-168.9100.15.2111.4E73 E74 H79 F80 E81E73-R77 VanDerWaalsContact CB-NH1 3.26Å; E73-R77 WeakPolarHBondContact O-CG 3.43Å; E73-R77 PolarHBondContact O-N 3.35Å; E73-R77 IonicContact OE2-CZ 3.51Å; E73-R77 IonicContact OE2-NH1 2.7Å; E73-R77 IonicContact OE2-NH2 3.1Å; E73-R77 PolarHBondContact OE2-NH2 3.23Å; E74-R77 PolarHBondContact O-N 2.95Å; R77-H79 VanDerWaalsContact C-N 3.35Å; R77-H79 PolarHBondContact O-N 3.3Å; R77-F80 PolarHBondContact O-N 3.48Å; R77-E81 PolarHBondContact O-N 3.21Å
78L96.6Very high93.7Very high20 Ų2079 Ų7911%0.10536%0.363CS..Hα-helixtrans-60.6-44.8176.9179.567.8000111.2E74 L75 M76 F80 E81 Q82 A119 L120 R123E74-L78 WeakPolarHBondContact O-CB 3.31Å; E74-L78 PolarHBondContact O-N 3.42Å; L75-L78 PolarHBondContact O-N 3.31Å; M76-L78 VanDerWaalsContact C-N 3.34Å; M76-L78 PolarHBondContact O-N 3.49Å; L78-F80 PolarHBondContact O-N 3Å; L78-E81 PolarHBondContact O-N 2.89Å; L78-E81 VanDerWaalsContact O-N 3.16Å; L78-Q82 HydrophobicContact CD1-CG 3.91Å; L78-Q82 HydrophobicContact CG-CG 4.04Å; L78-Q82 WeakPolarHBondContact O-CB 3.42Å; L78-Q82 VanDerWaalsContact O-CG 3.24Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.36Å; L78-A119 HydrophobicContact CD2-CB 4.08Å; L78-L120 HydrophobicContact CD2-CD2 4.13Å; L78-R123 VanDerWaalsContact CD2-CD 3.48Å
79H93.2Very high93.4Very high85 Ų8579.2 Ų79.239%0.39436%0.364SS..Hα-helixtrans-54.2-51.9178.2-176.9-71.7000111.2L75 M76 R77 E81 Q82 D83L75-H79 PolarHBondContact O-N 3.03Å; M76-H79 WeakPolarHBondContact O-CB 3.45Å; M76-H79 PolarHBondContact O-N 3.03Å; R77-H79 VanDerWaalsContact C-N 3.35Å; R77-H79 PolarHBondContact O-N 3.3Å; H79-E81 VanDerWaalsContact C-N 3.33Å; H79-E81 PolarHBondContact O-N 3.46Å; H79-Q82 PolarHBondContact O-N 3.5Å; H79-D83 IonicContact CE1-OD1 3.45Å; H79-D83 IonicContact CE1-OD2 3.8Å; H79-D83 PolarHBondContact CE1-OD2 2.7Å; H79-D83 IonicContact ND1-OD2 2.67Å; H79-D83 PolarHBondContact ND1-OD2 2.97Å; H79-D83 WeakPolarHBondContact O-CB 3.46Å; H79-D83 PolarHBondContact O-N 3.32Å
80F95.8Very high93Very high131 Ų13175.4 Ų75.458%0.57535%0.353SS*.Hα-helixtrans-63.5-37.3178.3-66.9-59.1000113M76 R77 L78 R84M76-F80 HydrophobicContact CE-CE2 3.89Å; M76-F80 HydrophobicContact CE-CZ 4.03Å; M76-F80 WeakPolarHBondContact O-CD2 3.36Å; M76-F80 PolarHBondContact O-N 3.4Å; R77-F80 PolarHBondContact O-N 3.48Å; L78-F80 PolarHBondContact O-N 3Å; F80-R84 WeakPolarHBondContact O-CB 3.2Å; F80-R84 PolarHBondContact O-N 2.73Å
81E95.3Very high92.5Very high82 Ų8279 Ų7938%0.38337%0.368SS..Hα-helixtrans-64.6-44176.2-169.4-169.3157.100111.6R77 L78 H79 R84 K85R77-E81 PolarHBondContact O-N 3.21Å; L78-E81 PolarHBondContact O-N 2.89Å; L78-E81 VanDerWaalsContact O-N 3.16Å; H79-E81 VanDerWaalsContact C-N 3.33Å; H79-E81 PolarHBondContact O-N 3.46Å; E81-R84 PolarHBondContact O-N 2.88Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 3.46Å; E81-K85 WeakPolarHBondContact OE1-CE 3.38Å; E81-K85 IonicContact OE1-NZ 2.65Å; E81-K85 PolarHBondContact OE1-NZ 2.91Å
82Q94.9Very high91.5Very high9 Ų981.1 Ų81.14%0.04239%0.385CS..Hα-helixtrans-65.6-45.4178.3-71178.2-24.200111.2L78 H79 R84 K85 M86 N116 L120L78-Q82 HydrophobicContact CD1-CG 3.91Å; L78-Q82 HydrophobicContact CG-CG 4.04Å; L78-Q82 WeakPolarHBondContact O-CB 3.42Å; L78-Q82 VanDerWaalsContact O-CG 3.24Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.36Å; H79-Q82 PolarHBondContact O-N 3.5Å; Q82-R84 VanDerWaalsContact C-N 3.28Å; Q82-R84 PolarHBondContact O-N 2.9Å; Q82-K85 WeakPolarHBondContact O-CB 3.47Å; Q82-K85 PolarHBondContact O-N 2.93Å; Q82-K85 VanDerWaalsContact O-N 3.13Å; Q82-M86 VanDerWaalsContact O-CG 3.32Å; Q82-M86 WeakPolarHBondContact O-CG 3.07Å; Q82-M86 PolarHBondContact O-N 2.91Å; Q82-N116 HydrophobicContact CG-CB 4.17Å; Q82-N116 PolarHBondContact NE2-O 3.04Å; Q82-L120 VanDerWaalsContact OE1-CG 3.3Å
83D92.7Very high90.1Very high68 Ų6878 Ų7836%0.36438%0.378SS..Hα-helixtrans-55.7-45174.2-76.1-16.7000111.3H79 K85 M86 M87H79-D83 IonicContact CE1-OD1 3.45Å; H79-D83 IonicContact CE1-OD2 3.8Å; H79-D83 PolarHBondContact CE1-OD2 2.7Å; H79-D83 IonicContact ND1-OD2 2.67Å; H79-D83 PolarHBondContact ND1-OD2 2.97Å; H79-D83 WeakPolarHBondContact O-CB 3.46Å; H79-D83 PolarHBondContact O-N 3.32Å; D83-K85 PolarHBondContact O-N 3.25Å; D83-M86 PolarHBondContact O-N 2.84Å; D83-M87 WeakPolarHBondContact O-CG 3.02Å; D83-M87 PolarHBondContact O-N 3.21Å
84R92.4Very high88.3Confident169 Ų16979 Ų7964%0.63839%0.391SS*.Hα-helixtrans-61.2-43.7176.7-169.1-178.569.2171.90.8112.2F80 E81 Q82 M86 M87 S88F80-R84 WeakPolarHBondContact O-CB 3.2Å; F80-R84 PolarHBondContact O-N 2.73Å; E81-R84 PolarHBondContact O-N 2.88Å; Q82-R84 VanDerWaalsContact C-N 3.28Å; Q82-R84 PolarHBondContact O-N 2.9Å; R84-M86 VanDerWaalsContact C-N 3.35Å; R84-M87 PolarHBondContact O-N 2.95Å; R84-S88 PolarHBondContact O-N 3.5Å; R84-S88 VanDerWaalsContact O-N 3.13Å
85K91Very high86.6Confident88 Ų8880.8 Ų80.838%0.38341%0.407SS..Hα-helixtrans-61.9-43.4175.3-71.7173.4-174.8167.50111.2E81 Q82 D83 S88 I89 T112E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-K85 PolarHBondContact O-N 3.46Å; E81-K85 WeakPolarHBondContact OE1-CE 3.38Å; E81-K85 IonicContact OE1-NZ 2.65Å; E81-K85 PolarHBondContact OE1-NZ 2.91Å; Q82-K85 WeakPolarHBondContact O-CB 3.47Å; Q82-K85 PolarHBondContact O-N 2.93Å; Q82-K85 VanDerWaalsContact O-N 3.13Å; D83-K85 PolarHBondContact O-N 3.25Å; K85-S88 PolarHBondContact O-N 3.43Å; K85-I89 WeakPolarHBondContact O-CG1 3.28Å; K85-I89 PolarHBondContact O-N 3.38Å; K85-I89 VanDerWaalsContact O-N 3.16Å; K85-T112 HydrophobicContact CB-CG2 4.4Å
86M89.1Confident84.6Confident35 Ų3585.3 Ų85.317%0.17243%0.431CS..Hα-helixtrans-65-41.8178.4-68-50-61.300112.1Q82 D83 R84 S88 I89 L90 L104 T112 N116Q82-M86 VanDerWaalsContact O-CG 3.32Å; Q82-M86 WeakPolarHBondContact O-CG 3.07Å; Q82-M86 PolarHBondContact O-N 2.91Å; D83-M86 PolarHBondContact O-N 2.84Å; R84-M86 VanDerWaalsContact C-N 3.35Å; M86-S88 VanDerWaalsContact C-N 3.32Å; M86-S88 PolarHBondContact O-N 3.35Å; M86-I89 PolarHBondContact O-N 3.38Å; M86-I89 HydrophobicContact SD-CD1 4.28Å; M86-L90 WeakPolarHBondContact O-CD1 3.18Å; M86-L90 PolarHBondContact O-N 3.42Å; M86-L104 HydrophobicContact CE-CD2 3.18Å; M86-T112 HydrophobicContact SD-CG2 4.01Å; M86-N116 PolarHBondContact SD-ND2 3.42Å
87M88Confident82.8Confident122 Ų12285.8 Ų85.860%0.60145%0.451SS*.Hα-helixtrans-59.4-42.6175-74.8-171-72.300111.8D83 R84 I89 L90 E91D83-M87 WeakPolarHBondContact O-CG 3.02Å; D83-M87 PolarHBondContact O-N 3.21Å; R84-M87 PolarHBondContact O-N 2.95Å; M87-I89 VanDerWaalsContact C-N 3.32Å; M87-I89 PolarHBondContact O-N 3.34Å; M87-L90 PolarHBondContact O-N 2.85Å; M87-E91 WeakPolarHBondContact O-CB 3.44Å; M87-E91 PolarHBondContact O-N 3.42Å
88S87.5Confident81Confident67 Ų6785.8 Ų85.847%0.46945%0.451SS..Hα-helixtrans-61-39.2175.6177.80000112.5R84 K85 M86 E91 T92R84-S88 PolarHBondContact O-N 3.5Å; R84-S88 VanDerWaalsContact O-N 3.13Å; K85-S88 PolarHBondContact O-N 3.43Å; M86-S88 VanDerWaalsContact C-N 3.32Å; M86-S88 PolarHBondContact O-N 3.35Å; S88-E91 PolarHBondContact O-N 3.27Å; S88-T92 WeakPolarHBondContact O-CG2 3.48Å; S88-T92 PolarHBondContact O-N 3.16Å; S88-T92 VanDerWaalsContact O-N 3.07Å; S88-T92 PolarHBondContact O-OG1 3.42Å
89I86.4Confident79.5Confident18 Ų1894.2 Ų94.29%0.09248%0.482CS..Hα-helixtrans-65.5-44.4175.5-67.8165.9000110.7K85 M86 M87 E91 T92 G93 A103 L104 T112K85-I89 WeakPolarHBondContact O-CG1 3.28Å; K85-I89 PolarHBondContact O-N 3.38Å; K85-I89 VanDerWaalsContact O-N 3.16Å; M86-I89 PolarHBondContact O-N 3.38Å; M86-I89 HydrophobicContact SD-CD1 4.28Å; M87-I89 VanDerWaalsContact C-N 3.32Å; M87-I89 PolarHBondContact O-N 3.34Å; I89-E91 PolarHBondContact O-N 2.85Å; I89-T92 PolarHBondContact O-OG1 3.05Å; I89-G93 PolarHBondContact O-N 2.88Å; I89-A103 HydrophobicContact CG2-CB 3.87Å; I89-A103 WeakPolarHBondContact O-CB 3.45Å; I89-L104 HydrophobicContact CG2-CD2 4.38Å; I89-T112 VanDerWaalsContact CD1-CB 3.46Å; I89-T112 HydrophobicContact CD1-CG2 3.59Å; I89-T112 VanDerWaalsContact CD1-OG1 3.22Å; I89-T112 WeakPolarHBondContact CD1-OG1 3.45Å
90L86Confident78.3Confident59 Ų5993.4 Ų93.431%0.30948%0.484SS..Hα-helixtrans-63-40.9177.7-9380.3000112.4M86 M87 G93 S94 P100 L104M86-L90 WeakPolarHBondContact O-CD1 3.18Å; M86-L90 PolarHBondContact O-N 3.42Å; M87-L90 PolarHBondContact O-N 2.85Å; L90-G93 PolarHBondContact O-N 2.91Å; L90-S94 PolarHBondContact O-N 3.34Å; L90-P100 HydrophobicContact CB-CB 4.48Å; L90-P100 HydrophobicContact CD2-CB 3.66Å; L90-P100 HydrophobicContact CG-CB 3.95Å; L90-L104 HydrophobicContact CD1-CD2 3.69Å; L90-L104 HydrophobicContact CD1-CG 4.2Å
91E83.1Confident77.5Confident149 Ų14990.9 Ų90.970%0.69648%0.479SS*.Hα-helixtrans-66.2-44.3-179.7-171.9177.7179.600111.6M87 S88 I89 G93 S94M87-E91 WeakPolarHBondContact O-CB 3.44Å; M87-E91 PolarHBondContact O-N 3.42Å; S88-E91 PolarHBondContact O-N 3.27Å; I89-E91 PolarHBondContact O-N 2.85Å; E91-G93 VanDerWaalsContact C-N 3.28Å; E91-G93 PolarHBondContact O-N 3.4Å; E91-S94 WeakPolarHBondContact O-CB 3.24Å; E91-S94 PolarHBondContact O-N 3.29Å
92T75.3Confident76.8Confident96 Ų9692.9 Ų92.959%0.58948%0.483SS*.Hα-helixtrans-63.4-32.9177.851.60000112.8S88 I89 S94S88-T92 WeakPolarHBondContact O-CG2 3.48Å; S88-T92 PolarHBondContact O-N 3.16Å; S88-T92 VanDerWaalsContact O-N 3.07Å; S88-T92 PolarHBondContact O-OG1 3.42Å; I89-T92 PolarHBondContact O-OG1 3.05Å; T92-S94 VanDerWaalsContact C-N 3.33Å
93G64.5Low76.3Confident28 Ų2892.6 Ų92.629%0.28948%0.482SS..G310 helixtrans-80.4-7.5174.700000115.1I89 L90 E91I89-G93 PolarHBondContact O-N 2.88Å; L90-G93 PolarHBondContact O-N 2.91Å; E91-G93 VanDerWaalsContact C-N 3.28Å; E91-G93 PolarHBondContact O-N 3.4Å
94S60.6Low75.9Confident76 Ų7692 Ų9253%0.53148%0.479SS..G310 helixtrans-89.1-0.8-175.7-171.40000114.2L90 E91 T92 L96L90-S94 PolarHBondContact O-N 3.34Å; E91-S94 WeakPolarHBondContact O-CB 3.24Å; E91-S94 PolarHBondContact O-N 3.29Å; T92-S94 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.93Å
95T58.6Low75.7Confident119 Ų11989.1 Ų89.173%0.7348%0.476SS*.G310 helixtrans-68.6-13.1179.554.30000113.9
96L55.1Low75.6Confident117 Ų11788.1 Ų88.161%0.61348%0.477SS*.SBendtrans-116.5136.2165.4-78.479.9000107.3S94 R98S94-L96 PolarHBondContact O-N 2.93Å; L96-R98 PolarHBondContact O-N 3.42Å
97A57Low75.7Confident114 Ų11491 Ų9194%0.94249%0.493SS*.SBendtrans-57.347.3-178.400000116.1
98R58Low75.8Confident150 Ų15090.6 Ų90.657%0.56649%0.49SS*.SBendtrans-136.7106.8-170.6-84.3171.3157.8-166.24.6108.3L96 R102L96-R98 PolarHBondContact O-N 3.42Å; R98-R102 VanDerWaalsContact CD-NH1 3.3Å; R98-R102 VanDerWaalsContact NH1-NH1 3.11Å
99R65.1Low76Confident197 Ų19787.4 Ų87.474%0.74347%0.467SS*.  trans9.2122.3171.7-76.4167.685.7152.20.8115.7V101 R102R99-V101 PolarHBondContact O-N 3Å; R99-R102 PolarHBondContact O-N 3.42Å
100P68.7Low76.3Confident67 Ų6794 Ų9444%0.43549%0.491SS..THydrogen-bonded Turntrans-53.4-26.2-179.221.3-33.2000113.8L90 R102 A103L90-P100 HydrophobicContact CB-CB 4.48Å; L90-P100 HydrophobicContact CD2-CB 3.66Å; L90-P100 HydrophobicContact CG-CB 3.95Å; P100-R102 PolarHBondContact O-N 3.32Å; P100-R102 VanDerWaalsContact O-N 3.13Å; P100-A103 WeakPolarHBondContact O-CB 3.41Å; P100-A103 PolarHBondContact O-N 2.9Å; P100-A103 VanDerWaalsContact O-N 3.13Å
101V78Confident76.7Confident78 Ų7896.8 Ų96.847%0.47350%0.501SS..Hα-helixtrans-54.8-27.9173.7-175.30000113.4R99 A103 L104 L105R99-V101 PolarHBondContact O-N 3Å; V101-A103 VanDerWaalsContact C-N 3.28Å; V101-A103 PolarHBondContact O-N 3.34Å; V101-L104 WeakPolarHBondContact O-CB 3.17Å; V101-L104 PolarHBondContact O-N 2.67Å; V101-L104 VanDerWaalsContact O-N 3.15Å; V101-L105 PolarHBondContact O-N 3.04Å
102R81.7Confident77.2Confident125 Ų12590.5 Ų90.547%0.47247%0.473SS..Hα-helixtrans-65.3-31.8179.1-69.6-164.7-179.7-158.8-0.8112.9R98 R99 P100 L104 L105 T106R98-R102 VanDerWaalsContact CD-NH1 3.3Å; R98-R102 VanDerWaalsContact NH1-NH1 3.11Å; R99-R102 PolarHBondContact O-N 3.42Å; P100-R102 PolarHBondContact O-N 3.32Å; P100-R102 VanDerWaalsContact O-N 3.13Å; R102-L104 PolarHBondContact O-N 3.43Å; R102-L105 WeakPolarHBondContact O-CB 3.5Å; R102-L105 PolarHBondContact O-N 3.13Å; R102-L105 VanDerWaalsContact O-N 3.08Å; R102-T106 PolarHBondContact O-N 2.9Å
103A82.7Confident78Confident3 Ų388.2 Ų88.23%0.02546%0.458CS..Hα-helixtrans-60.3-37.5175.200000111.2I89 P100 V101 L105 T106I89-A103 HydrophobicContact CG2-CB 3.87Å; I89-A103 WeakPolarHBondContact O-CB 3.45Å; P100-A103 WeakPolarHBondContact O-CB 3.41Å; P100-A103 PolarHBondContact O-N 2.9Å; P100-A103 VanDerWaalsContact O-N 3.13Å; V101-A103 VanDerWaalsContact C-N 3.28Å; V101-A103 PolarHBondContact O-N 3.34Å; A103-L105 PolarHBondContact O-N 3.43Å; A103-T106 WeakPolarHBondContact O-CB 3.38Å; A103-T106 WeakPolarHBondContact O-CG2 2.97Å; A103-T106 PolarHBondContact O-N 3.21Å; A103-T106 PolarHBondContact O-OG1 3.4Å
104L85.7Confident79.5Confident54 Ų5493.3 Ų93.328%0.28347%0.472SS..Hα-helixtrans-69.5-19.5177.8-54.7-178.1000113.5M86 I89 L90 V101 R102 R110M86-L104 HydrophobicContact CE-CD2 3.18Å; I89-L104 HydrophobicContact CG2-CD2 4.38Å; L90-L104 HydrophobicContact CD1-CD2 3.69Å; L90-L104 HydrophobicContact CD1-CG 4.2Å; V101-L104 WeakPolarHBondContact O-CB 3.17Å; V101-L104 PolarHBondContact O-N 2.67Å; V101-L104 VanDerWaalsContact O-N 3.15Å; R102-L104 PolarHBondContact O-N 3.43Å; L104-R110 WeakPolarHBondContact O-CG 3.43Å
105L87.3Confident81.2Confident110 Ų11092.2 Ų92.258%0.57647%0.468SS*.Hα-helixtrans-87.9-10.9177-60.2177.9000112.8V101 R102 A103 R110V101-L105 PolarHBondContact O-N 3.04Å; R102-L105 WeakPolarHBondContact O-CB 3.5Å; R102-L105 PolarHBondContact O-N 3.13Å; R102-L105 VanDerWaalsContact O-N 3.08Å; A103-L105 PolarHBondContact O-N 3.43Å; L105-R110 VanDerWaalsContact O-CZ 3.3Å; L105-R110 PolarHBondContact O-NE 2.84Å; L105-R110 VanDerWaalsContact O-NE 3.09Å; L105-R110 PolarHBondContact O-NH2 3.13Å
106T89Confident83Confident66 Ų6687.4 Ų87.441%0.40544%0.438SS..SBendtrans-61.8158.3170.168.20000110R102 A103 E108 G109 R110R102-T106 PolarHBondContact O-N 2.9Å; A103-T106 WeakPolarHBondContact O-CB 3.38Å; A103-T106 WeakPolarHBondContact O-CG2 2.97Å; A103-T106 PolarHBondContact O-N 3.21Å; A103-T106 PolarHBondContact O-OG1 3.4Å; T106-E108 PolarHBondContact O-N 3.18Å; T106-G109 PolarHBondContact O-N 2.96Å; T106-G109 PolarHBondContact OG1-N 3.24Å; T106-R110 WeakPolarHBondContact O-CG 3.29Å; T106-R110 PolarHBondContact O-N 2.86Å
107D91Very high84.9Confident97 Ų9786.1 Ų86.152%0.51943%0.431SS..Hα-helixtrans-59-39.9174.4-175.958.5000110.8R110 K111D107-R110 PolarHBondContact O-N 3.47Å; D107-K111 WeakPolarHBondContact O-CB 3.36Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.46Å; D107-K111 PolarHBondContact O-N 3Å; D107-K111 WeakPolarHBondContact OD2-CE 3.32Å; D107-K111 IonicContact OD2-NZ 2.9Å; D107-K111 PolarHBondContact OD2-NZ 2.98Å
108E90.2Very high86.8Confident113 Ų11384.6 Ų84.653%0.52841%0.407SS..Hα-helixtrans-62-52.6175.6-171.456.4-147.900111.7T106 R110 K111 T112T106-E108 PolarHBondContact O-N 3.18Å; E108-R110 PolarHBondContact O-N 3.49Å; E108-K111 PolarHBondContact O-N 3.41Å; E108-K111 VanDerWaalsContact O-N 3.08Å; E108-T112 PolarHBondContact O-N 2.9Å; E108-T112 PolarHBondContact O-OG1 3.46Å; E108-T112 PolarHBondContact OE1-OG1 3.17Å
109G91.6Very high88.7Confident0 Ų079.2 Ų79.20%039%0.394CS..Hα-helixtrans-56.5-38.8178.200000113.1T106 T113T106-G109 PolarHBondContact O-N 2.96Å; T106-G109 PolarHBondContact OG1-N 3.24Å; G109-T113 VanDerWaalsContact O-CB 3.29Å; G109-T113 WeakPolarHBondContact O-CB 3.48Å; G109-T113 PolarHBondContact O-N 2.88Å; G109-T113 PolarHBondContact O-OG1 3.29Å
110R93Very high90.1Very high155 Ų15572.2 Ų72.259%0.58537%0.371SS*.Hα-helixtrans-68.1-45.3175-76.6-173.5-96.6-169.2-6.5112.4L104 L105 T106 D107 E108 T113 K114L104-R110 WeakPolarHBondContact O-CG 3.43Å; L105-R110 VanDerWaalsContact O-CZ 3.3Å; L105-R110 PolarHBondContact O-NE 2.84Å; L105-R110 VanDerWaalsContact O-NE 3.09Å; L105-R110 PolarHBondContact O-NH2 3.13Å; T106-R110 WeakPolarHBondContact O-CG 3.29Å; T106-R110 PolarHBondContact O-N 2.86Å; D107-R110 PolarHBondContact O-N 3.47Å; E108-R110 PolarHBondContact O-N 3.49Å; R110-T113 PolarHBondContact O-N 3.22Å; R110-K114 VanDerWaalsContact O-CB 3.3Å; R110-K114 WeakPolarHBondContact O-CB 3.35Å; R110-K114 PolarHBondContact O-N 3.31Å
111K94.7Very high91.5Very high119 Ų11972.2 Ų72.252%0.51737%0.37SS..Hα-helixtrans-61.1-47177-77.9171.3174168.90111.7D107 E108 K114 A115D107-K111 WeakPolarHBondContact O-CB 3.36Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.46Å; D107-K111 PolarHBondContact O-N 3Å; D107-K111 WeakPolarHBondContact OD2-CE 3.32Å; D107-K111 IonicContact OD2-NZ 2.9Å; D107-K111 PolarHBondContact OD2-NZ 2.98Å; E108-K111 PolarHBondContact O-N 3.41Å; E108-K111 VanDerWaalsContact O-N 3.08Å; K111-K114 PolarHBondContact O-N 2.94Å; K111-A115 WeakPolarHBondContact O-CB 3.34Å; K111-A115 PolarHBondContact O-N 3.05Å
112T93.3Very high92.4Very high17 Ų1772.5 Ų72.510%0.10437%0.372CS..Hα-helixtrans-64.1-46.6178.1-46.90000111.6K85 M86 I89 E108 K114 A115 N116K85-T112 HydrophobicContact CB-CG2 4.4Å; M86-T112 HydrophobicContact SD-CG2 4.01Å; I89-T112 VanDerWaalsContact CD1-CB 3.46Å; I89-T112 HydrophobicContact CD1-CG2 3.59Å; I89-T112 VanDerWaalsContact CD1-OG1 3.22Å; I89-T112 WeakPolarHBondContact CD1-OG1 3.45Å; E108-T112 PolarHBondContact O-N 2.9Å; E108-T112 PolarHBondContact O-OG1 3.46Å; E108-T112 PolarHBondContact OE1-OG1 3.17Å; T112-K114 VanDerWaalsContact C-N 3.31Å; T112-K114 PolarHBondContact O-N 3.13Å; T112-A115 PolarHBondContact O-N 3.4Å; T112-N116 WeakPolarHBondContact O-CB 3.31Å; T112-N116 PolarHBondContact O-N 3.19Å; T112-N116 PolarHBondContact O-OD1 3.22Å
113T93Very high93.1Very high47 Ų4770.3 Ų70.329%0.28836%0.364SS..Hα-helixtrans-59.5-44.5178.5-580000111G109 R110 N116 I117G109-T113 VanDerWaalsContact O-CB 3.29Å; G109-T113 WeakPolarHBondContact O-CB 3.48Å; G109-T113 PolarHBondContact O-N 2.88Å; G109-T113 PolarHBondContact O-OG1 3.29Å; R110-T113 PolarHBondContact O-N 3.22Å; T113-N116 PolarHBondContact O-N 2.88Å; T113-I117 HydrophobicContact CG2-CD1 3.96Å; T113-I117 WeakPolarHBondContact O-CG1 3.42Å; T113-I117 PolarHBondContact O-N 3.07Å
114K95.8Very high93.7Very high135 Ų13574.8 Ų74.859%0.58739%0.387SS*.Hα-helixtrans-60.7-51.8176.4175.7168.4177.9155.60111.7R110 K111 T112 N116 I117 D118R110-K114 VanDerWaalsContact O-CB 3.3Å; R110-K114 WeakPolarHBondContact O-CB 3.35Å; R110-K114 PolarHBondContact O-N 3.31Å; K111-K114 PolarHBondContact O-N 2.94Å; T112-K114 VanDerWaalsContact C-N 3.31Å; T112-K114 PolarHBondContact O-N 3.13Å; K114-N116 PolarHBondContact O-N 3.21Å; K114-I117 PolarHBondContact O-N 3.47Å; K114-D118 WeakPolarHBondContact CG-OD2 3.5Å; K114-D118 WeakPolarHBondContact O-CB 3.3Å; K114-D118 VanDerWaalsContact O-CG 3.27Å; K114-D118 PolarHBondContact O-N 2.89Å
115A95.8Very high94.2Very high54 Ų5478 Ų7845%0.44640%0.401SS..Hα-helixtrans-58.9-36.5178.600000112.2K111 T112 A119K111-A115 WeakPolarHBondContact O-CB 3.34Å; K111-A115 PolarHBondContact O-N 3.05Å; T112-A115 PolarHBondContact O-N 3.4Å; A115-A119 WeakPolarHBondContact O-CB 3.17Å; A115-A119 PolarHBondContact O-N 3.33Å
116N95.3Very high94.6Very high17 Ų1775.5 Ų75.59%0.09139%0.392CS..Hα-helixtrans-65.2-48.2176.7-71.5-6000111.7Q82 M86 T112 T113 K114 A119 L120Q82-N116 HydrophobicContact CG-CB 4.17Å; Q82-N116 PolarHBondContact NE2-O 3.04Å; M86-N116 PolarHBondContact SD-ND2 3.42Å; T112-N116 WeakPolarHBondContact O-CB 3.31Å; T112-N116 PolarHBondContact O-N 3.19Å; T112-N116 PolarHBondContact O-OD1 3.22Å; T113-N116 PolarHBondContact O-N 2.88Å; K114-N116 PolarHBondContact O-N 3.21Å; N116-A119 PolarHBondContact O-N 3.25Å; N116-L120 WeakPolarHBondContact O-CB 3.48Å; N116-L120 VanDerWaalsContact O-CG 3.3Å; N116-L120 WeakPolarHBondContact O-CG 3.48Å; N116-L120 PolarHBondContact O-N 3.33Å
117I95.9Very high94.9Very high91 Ų9173.3 Ų73.347%0.46738%0.378SS..Hα-helixtrans-61.2-47.5177.5-68.3167.6000110.4T113 K114 A119 L120 V121T113-I117 HydrophobicContact CG2-CD1 3.96Å; T113-I117 WeakPolarHBondContact O-CG1 3.42Å; T113-I117 PolarHBondContact O-N 3.07Å; K114-I117 PolarHBondContact O-N 3.47Å; I117-A119 VanDerWaalsContact C-N 3.33Å; I117-A119 PolarHBondContact O-N 3.46Å; I117-L120 PolarHBondContact O-N 3.01Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 WeakPolarHBondContact O-CG2 3.35Å; I117-V121 PolarHBondContact O-N 3.01Å
118D97.4Very high95.1Very high82 Ų8272.4 Ų72.444%0.43938%0.379SS..Hα-helixtrans-57.4-47.4179.8-68.9-20.4000110.5K114 L120 V121 T122K114-D118 WeakPolarHBondContact CG-OD2 3.5Å; K114-D118 WeakPolarHBondContact O-CB 3.3Å; K114-D118 VanDerWaalsContact O-CG 3.27Å; K114-D118 PolarHBondContact O-N 2.89Å; D118-L120 PolarHBondContact O-N 3.49Å; D118-V121 PolarHBondContact O-N 3.18Å; D118-T122 PolarHBondContact O-N 3.33Å; D118-T122 PolarHBondContact O-OG1 3.16Å; D118-T122 VanDerWaalsContact O-OG1 3.1Å
119A96.9Very high95.3Very high36 Ų3674.3 Ų74.330%0.29838%0.382SS..Hα-helixtrans-63.7-40.2177.900000113.1L78 A115 N116 I117 R123L78-A119 HydrophobicContact CD2-CB 4.08Å; A115-A119 WeakPolarHBondContact O-CB 3.17Å; A115-A119 PolarHBondContact O-N 3.33Å; N116-A119 PolarHBondContact O-N 3.25Å; I117-A119 VanDerWaalsContact C-N 3.33Å; I117-A119 PolarHBondContact O-N 3.46Å; A119-R123 WeakPolarHBondContact O-CG 3.18Å; A119-R123 PolarHBondContact O-N 2.7Å
120L96Very high95.2Very high50 Ų5075.2 Ų75.226%0.26239%0.39SS..Hα-helixtrans-64.4-47.2177.1-75.3169.6000111.2L75 L78 Q82 N116 I117 D118 R123 L124L75-L120 HydrophobicContact CD2-CD2 4.49Å; L78-L120 HydrophobicContact CD2-CD2 4.13Å; Q82-L120 VanDerWaalsContact OE1-CG 3.3Å; N116-L120 WeakPolarHBondContact O-CB 3.48Å; N116-L120 VanDerWaalsContact O-CG 3.3Å; N116-L120 WeakPolarHBondContact O-CG 3.48Å; N116-L120 PolarHBondContact O-N 3.33Å; I117-L120 PolarHBondContact O-N 3.01Å; D118-L120 PolarHBondContact O-N 3.49Å; L120-R123 PolarHBondContact O-N 3.03Å; L120-L124 WeakPolarHBondContact O-CB 3.33Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 3.3Å
121V96.8Very high95.1Very high67 Ų6770.7 Ų70.741%0.40638%0.377SS..Hα-helixtrans-59.4-50.6179.6170.60000110.4I117 D118 R123 L124 E125I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 WeakPolarHBondContact O-CG2 3.35Å; I117-V121 PolarHBondContact O-N 3.01Å; D118-V121 PolarHBondContact O-N 3.18Å; V121-R123 VanDerWaalsContact C-N 3.3Å; V121-R123 PolarHBondContact O-N 3.03Å; V121-L124 PolarHBondContact O-N 3.27Å; V121-E125 HydrophobicContact CG1-CG 4.35Å; V121-E125 WeakPolarHBondContact O-CB 3.35Å; V121-E125 VanDerWaalsContact O-CG 3.31Å; V121-E125 WeakPolarHBondContact O-CG 3.4Å; V121-E125 PolarHBondContact O-N 2.92Å
122T97Very high94.8Very high84 Ų8469.2 Ų69.252%0.51537%0.372SS..Hα-helixtrans-58.1-40.9179.3-60.60000112.8D118 S126D118-T122 PolarHBondContact O-N 3.33Å; D118-T122 PolarHBondContact O-OG1 3.16Å; D118-T122 VanDerWaalsContact O-OG1 3.1Å; T122-S126 PolarHBondContact O-N 2.89Å; T122-S126 VanDerWaalsContact O-N 3.13Å; T122-S126 PolarHBondContact O-OG 3.39Å
123R95.7Very high94.4Very high79 Ų7971.2 Ų71.230%0.29838%0.382SS..Hα-helixtrans-72.8-39.1178.9-71.8-175.2-179.3-77.411112.6E74 L75 L78 A119 L120 V121 E125 S126 L127E74-R123 VanDerWaalsContact CD-CZ 3.46Å; E74-R123 IonicContact OE1-CZ 2.73Å; E74-R123 IonicContact OE1-NH1 2.88Å; E74-R123 PolarHBondContact OE1-NH1 3.24Å; E74-R123 IonicContact OE1-NH2 3.89Å; E74-R123 PolarHBondContact OE1-NH2 3.41Å; E74-R123 IonicContact OE2-CZ 2.9Å; E74-R123 IonicContact OE2-NH1 2.91Å; E74-R123 PolarHBondContact OE2-NH1 2.93Å; L75-R123 HydrophobicContact CD2-CB 3.42Å; L75-R123 VanDerWaalsContact CD2-CB 3.42Å; L75-R123 HydrophobicContact CD2-CG 4.39Å; L75-R123 HydrophobicContact CG-CB 4.03Å; L78-R123 VanDerWaalsContact CD2-CD 3.48Å; A119-R123 WeakPolarHBondContact O-CG 3.18Å; A119-R123 PolarHBondContact O-N 2.7Å; L120-R123 PolarHBondContact O-N 3.03Å; V121-R123 VanDerWaalsContact C-N 3.3Å; V121-R123 PolarHBondContact O-N 3.03Å; R123-E125 VanDerWaalsContact C-N 3.35Å; R123-S126 PolarHBondContact O-N 3.43Å; R123-L127 WeakPolarHBondContact O-CB 3.22Å; R123-L127 PolarHBondContact O-N 2.87Å
124L96.7Very high93.9Very high97 Ų9770.3 Ų70.351%0.50838%0.375SS..Hα-helixtrans-64.7-39.5175.3-75.3171.9000111.6L75 L120 V121 S126 L127 S128L75-L124 HydrophobicContact CD1-CD2 4.08Å; L75-L124 HydrophobicContact CD2-CD2 4.47Å; L75-L124 HydrophobicContact CD2-CG 4.41Å; L120-L124 WeakPolarHBondContact O-CB 3.33Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 3.3Å; V121-L124 PolarHBondContact O-N 3.27Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-L127 PolarHBondContact O-N 3.04Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 2.87Å
125E96.7Very high92.7Very high123 Ų12370.2 Ų70.258%0.57538%0.376SS*.Hα-helixtrans-60.3-44.6173-74172.8164.700111.4V121 R123 S128 Y129V121-E125 HydrophobicContact CG1-CG 4.35Å; V121-E125 WeakPolarHBondContact O-CB 3.35Å; V121-E125 VanDerWaalsContact O-CG 3.31Å; V121-E125 WeakPolarHBondContact O-CG 3.4Å; V121-E125 PolarHBondContact O-N 2.92Å; R123-E125 VanDerWaalsContact C-N 3.35Å; E125-S128 PolarHBondContact O-N 2.89Å; E125-Y129 WeakPolarHBondContact O-CB 3.5Å; E125-Y129 PolarHBondContact O-N 3.5Å
126S95.2Very high91.1Very high57 Ų5774 Ų7440%0.39938%0.38SS..Hα-helixtrans-63.6-44.2177.8-60.30000112.4T122 R123 L124 Y129 A130T122-S126 PolarHBondContact O-N 2.89Å; T122-S126 VanDerWaalsContact O-N 3.13Å; T122-S126 PolarHBondContact O-OG 3.39Å; R123-S126 PolarHBondContact O-N 3.43Å; L124-S126 VanDerWaalsContact C-N 3.34Å; S126-Y129 PolarHBondContact O-N 3.15Å; S126-A130 PolarHBondContact O-N 3.1Å
127L95.5Very high89.5Confident19 Ų1975.1 Ų75.110%0.09939%0.392CS..Hα-helixtrans-64.1-45.1175.7176.762.4000111.4I68 Q71 Q72 L75 R123 L124 Y129 A130 I131I68-L127 HydrophobicContact CG2-CD1 3.91Å; Q71-L127 HydrophobicContact CB-CD1 4.03Å; Q72-L127 HydrophobicContact CG-CD1 3.95Å; Q72-L127 HydrophobicContact CG-CD2 3.95Å; L75-L127 HydrophobicContact CD1-CB 4.22Å; L75-L127 HydrophobicContact CD1-CD2 3.55Å; L75-L127 HydrophobicContact CD1-CG 4.49Å; R123-L127 WeakPolarHBondContact O-CB 3.22Å; R123-L127 PolarHBondContact O-N 2.87Å; L124-L127 PolarHBondContact O-N 3.04Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 2.61Å; L127-A130 PolarHBondContact O-N 3.13Å; L127-I131 HydrophobicContact CD1-CD1 3.88Å; L127-I131 HydrophobicContact CD1-CG1 4.16Å; L127-I131 HydrophobicContact CD2-CD1 4.46Å; L127-I131 HydrophobicContact CG-CD1 3.83Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.37Å
128S94.8Very high87.7Confident78 Ų7875 Ų7555%0.54539%0.392SS..Hα-helixtrans-57.4-45.4176.3-179.40000111.2L124 E125 A130 I131 H132L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 2.87Å; E125-S128 PolarHBondContact O-N 2.89Å; S128-A130 PolarHBondContact O-N 3.13Å; S128-I131 PolarHBondContact O-N 3.46Å; S128-H132 VanDerWaalsContact O-CB 3.28Å; S128-H132 WeakPolarHBondContact O-CB 3.37Å; S128-H132 PolarHBondContact O-N 3.31Å
129Y93.2Very high85.7Confident153 Ų15380 Ų8060%0.641%0.405SS*.Hα-helixtrans-62.8-42.1176.3-177.9-102.4000112.7E125 S126 L127 H132 N133E125-Y129 WeakPolarHBondContact O-CB 3.5Å; E125-Y129 PolarHBondContact O-N 3.5Å; S126-Y129 PolarHBondContact O-N 3.15Å; L127-Y129 VanDerWaalsContact C-N 3.31Å; L127-Y129 PolarHBondContact O-N 2.61Å; Y129-H132 PolarHBondContact O-N 3.2Å; Y129-N133 WeakPolarHBondContact CE1-ND2 3.46Å; Y129-N133 WeakPolarHBondContact O-CB 3.5Å; Y129-N133 PolarHBondContact O-N 2.64Å; Y129-N133 PolarHBondContact OH-ND2 3.4Å
130A91.6Very high83.6Confident19 Ų1983.6 Ų83.616%0.15743%0.425CS..Hα-helixtrans-64-44.5177.200000112.1I68 S126 L127 S128 N133 L134I68-A130 HydrophobicContact CD1-CB 4.47Å; I68-A130 HydrophobicContact CG1-CB 3.82Å; S126-A130 PolarHBondContact O-N 3.1Å; L127-A130 PolarHBondContact O-N 3.13Å; S128-A130 PolarHBondContact O-N 3.13Å; A130-N133 PolarHBondContact O-N 3.22Å; A130-L134 PolarHBondContact O-N 3.03Å
131I89.6Confident81.4Confident60 Ų6093.1 Ų93.131%0.30846%0.458SS..Hα-helixtrans-63.4-45.3175.8-67.7168.6000110.5I68 L127 S128 N133 L134 H135I68-I131 HydrophobicContact CD1-CG1 4.22Å; I68-I131 HydrophobicContact CG1-CG1 4.46Å; I68-I131 HydrophobicContact CG2-CG1 4.19Å; L127-I131 HydrophobicContact CD1-CD1 3.88Å; L127-I131 HydrophobicContact CD1-CG1 4.16Å; L127-I131 HydrophobicContact CD2-CD1 4.46Å; L127-I131 HydrophobicContact CG-CD1 3.83Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.37Å; S128-I131 PolarHBondContact O-N 3.46Å; I131-N133 VanDerWaalsContact C-N 3.34Å; I131-N133 PolarHBondContact O-N 3.08Å; I131-L134 VanDerWaalsContact O-CB 3.31Å; I131-L134 WeakPolarHBondContact O-CB 3.38Å; I131-L134 PolarHBondContact O-N 3.42Å; I131-H135 PolarHBondContact O-CD2 2.96Å; I131-H135 PolarHBondContact O-N 3.36Å
132H87.7Confident78.8Confident89 Ų8999 Ų9941%0.41250%0.502SS..Hα-helixtrans-54.2-52.7174.9178.2-85.8000110.2S128 Y129 L134 H135 Y136S128-H132 VanDerWaalsContact O-CB 3.28Å; S128-H132 WeakPolarHBondContact O-CB 3.37Å; S128-H132 PolarHBondContact O-N 3.31Å; Y129-H132 PolarHBondContact O-N 3.2Å; H132-L134 VanDerWaalsContact C-N 3.26Å; H132-L134 PolarHBondContact O-N 2.94Å; H132-H135 WeakPolarHBondContact O-CB 3.4Å; H132-H135 PolarHBondContact O-N 3.39Å; H132-Y136 AromaticContact CD2-CE2 3.52Å; H132-Y136 AromaticContact CE1-CD2 3.45Å; H132-Y136 VanDerWaalsContact CE1-CD2 3.45Å; H132-Y136 WeakPolarHBondContact CE1-CD2 3.31Å; H132-Y136 AromaticContact CE1-CE2 3.02Å; H132-Y136 WeakPolarHBondContact CE1-CE2 3.3Å; H132-Y136 AromaticContact CE1-CZ 3.7Å; H132-Y136 AromaticContact CG-CE2 3.74Å; H132-Y136 AromaticContact ND1-CD2 3.53Å; H132-Y136 AromaticContact ND1-CE2 3.45Å; H132-Y136 WeakPolarHBondContact ND1-CE2 3.43Å; H132-Y136 AromaticContact NE2-CD2 3.95Å; H132-Y136 AromaticContact NE2-CE2 3.07Å; H132-Y136 WeakPolarHBondContact NE2-CE2 3.47Å; H132-Y136 AromaticContact NE2-CZ 3.57Å; H132-Y136 PolarHBondContact NE2-OH 2.85Å; H132-Y136 WeakPolarHBondContact O-CD2 3.29Å; H132-Y136 PolarHBondContact O-N 3.4Å
133N85.2Confident77.9Confident59 Ų5999.8 Ų99.832%0.31650%0.501SS..Hα-helixtrans-63.2-28.4-179.9-73.9-14000114.4Y129 A130 I131 H135 Y136 A137Y129-N133 WeakPolarHBondContact CE1-ND2 3.46Å; Y129-N133 WeakPolarHBondContact O-CB 3.5Å; Y129-N133 PolarHBondContact O-N 2.64Å; Y129-N133 PolarHBondContact OH-ND2 3.4Å; A130-N133 PolarHBondContact O-N 3.22Å; I131-N133 VanDerWaalsContact C-N 3.34Å; I131-N133 PolarHBondContact O-N 3.08Å; N133-H135 VanDerWaalsContact C-N 3.33Å; N133-Y136 PolarHBondContact O-N 3.42Å; N133-A137 WeakPolarHBondContact O-CB 3.47Å; N133-A137 PolarHBondContact O-N 3.08Å
134L83.3Confident77Confident28 Ų28100.8 Ų100.815%0.14751%0.512CS..Hα-helixtrans-62.2-41.7171.4-176.372.4000111.2P61 K64 L65 I68 A130 I131 H132P61-L134 HydrophobicContact CB-CD1 3.58Å; K64-L134 HydrophobicContact CB-CD1 4.07Å; L65-L134 HydrophobicContact CD2-CD1 4.11Å; L65-L134 HydrophobicContact CD2-CD2 3.53Å; L65-L134 HydrophobicContact CD2-CG 4.48Å; L65-L134 HydrophobicContact CG-CD1 4.28Å; I68-L134 HydrophobicContact CD1-CB 4Å; I68-L134 HydrophobicContact CD1-CD2 3.76Å; I68-L134 HydrophobicContact CD1-CG 4.32Å; A130-L134 PolarHBondContact O-N 3.03Å; I131-L134 VanDerWaalsContact O-CB 3.31Å; I131-L134 WeakPolarHBondContact O-CB 3.38Å; I131-L134 PolarHBondContact O-N 3.42Å; H132-L134 VanDerWaalsContact C-N 3.26Å; H132-L134 PolarHBondContact O-N 2.94Å
135H71.2Confident75.9Confident133 Ų133101.1 Ų101.162%0.61651%0.512SS*.Hα-helixtrans-66.6-37.2178.1-75.7-76.8000113.1I131 H132 N133I131-H135 PolarHBondContact O-CD2 2.96Å; I131-H135 PolarHBondContact O-N 3.36Å; H132-H135 WeakPolarHBondContact O-CB 3.4Å; H132-H135 PolarHBondContact O-N 3.39Å; N133-H135 VanDerWaalsContact C-N 3.33Å
136Y62.1Low74.7Confident132 Ų13299.8 Ų99.852%0.51851%0.508SS..Hα-helixtrans-78.3-28.3179-69.7-88.9000113.3H132 N133 N138 R139H132-Y136 AromaticContact CD2-CE2 3.52Å; H132-Y136 AromaticContact CE1-CD2 3.45Å; H132-Y136 VanDerWaalsContact CE1-CD2 3.45Å; H132-Y136 WeakPolarHBondContact CE1-CD2 3.31Å; H132-Y136 AromaticContact CE1-CE2 3.02Å; H132-Y136 WeakPolarHBondContact CE1-CE2 3.3Å; H132-Y136 AromaticContact CE1-CZ 3.7Å; H132-Y136 AromaticContact CG-CE2 3.74Å; H132-Y136 AromaticContact ND1-CD2 3.53Å; H132-Y136 AromaticContact ND1-CE2 3.45Å; H132-Y136 WeakPolarHBondContact ND1-CE2 3.43Å; H132-Y136 AromaticContact NE2-CD2 3.95Å; H132-Y136 AromaticContact NE2-CE2 3.07Å; H132-Y136 WeakPolarHBondContact NE2-CE2 3.47Å; H132-Y136 AromaticContact NE2-CZ 3.57Å; H132-Y136 PolarHBondContact NE2-OH 2.85Å; H132-Y136 WeakPolarHBondContact O-CD2 3.29Å; H132-Y136 PolarHBondContact O-N 3.4Å; N133-Y136 PolarHBondContact O-N 3.42Å; Y136-N138 PolarHBondContact O-N 2.91Å; Y136-R139 PolarHBondContact O-N 2.81Å
137A61.3Low73.4Confident42 Ų42102.4 Ų102.435%0.34752%0.515SS..Hα-helixtrans-65.3-24.2177.500000113.4N133N133-A137 WeakPolarHBondContact O-CB 3.47Å; N133-A137 PolarHBondContact O-N 3.08Å
138N58.3Low71.9Confident88 Ų88108 Ų10847%0.47154%0.543SS..THydrogen-bonded Turntrans-98.97-177.7-70.9-27.8000113.9Y136 P140Y136-N138 PolarHBondContact O-N 2.91Å; N138-P140 WeakPolarHBondContact O-CD 3.09Å
139R55.9Low70.3Confident186 Ų186110.1 Ų110.170%0.70254%0.542SS*.SBendtrans-83.8119.8174.5-159.2-173.4-79.2-137.22.6109.2Y136 R141Y136-R139 PolarHBondContact O-N 2.81Å; R139-R141 PolarHBondContact O-N 3.09Å
140P52.5Low68.5Low112 Ų112106.8 Ų106.873%0.72754%0.538SS*.PPolyproline II helixtrans-58.7133.4173.323.1-30.7000109.2N138 S142N138-P140 WeakPolarHBondContact O-CD 3.09Å; P140-S142 PolarHBondContact O-N 2.65Å
141R48.9Very low66.6Low251 Ų251114.2 Ų114.295%0.94757%0.57SS**PPolyproline II helixtrans-62.8119168.1-68.1-175.8176.4179.7-0.9106.7R139R139-R141 PolarHBondContact O-N 3.09Å
142S43.3Very low64.5Low190 Ų190119.1 Ų119.1100%1.32959%0.594SS**  trans-61.40170.763.10000111P140P140-S142 PolarHBondContact O-N 2.65Å

Retrieved 142 of 142 residues in 387.8 ms (Link to these results)