A0A061HZD8_CRIGR Loading...

HAUS augmin-like complex subunit 7

AlphaFold DB , UniProt , Accession A0A061HZD8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Haus7, Length 368 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M33.4Very low33.2Very low243 Ų243129.6 Ų129.6100%1.19783%0.834SS**  092.20-74.6172.216800106
2A33.9Very low32.7Very low104 Ų104125.3 Ų125.386%0.8683%0.831SS**  69.5137.997.300000112.3
3E34.3Very low33.2Very low148 Ų148127.8 Ų127.869%0.69283%0.832SS**  cis-177.9153.5-20-160.2-156.6161.300103.6
4K37.7Very low33.5Very low177 Ų177127 Ų12777%0.7783%0.831SS**  trans69.6145.4163.3-73.5163.5176.9131.20118.3
5G29.3Very low34Very low73 Ų73123.2 Ų123.275%0.75382%0.823SS**  cis-177.21757.600000111.9
6A32.8Very low34.2Very low100 Ų100123.3 Ų123.383%0.82681%0.814SS**  trans-37.6148-172.400000119.9
7A30.2Very low34.6Very low97 Ų97122.4 Ų122.480%0.80281%0.81SS**  -162120.4128.300000111.3
8T33.1Very low34.8Very low132 Ų132126.8 Ų126.881%0.8181%0.809SS**  trans-61.7131.6167.2-32.50000110.3
9V33.3Very low35.2Very low138 Ų138129.4 Ų129.484%0.83680%0.803SS**  trans-122.7115.2161.21730000108.4
10V36.5Very low35.6Very low137 Ų137131.6 Ų131.683%0.8380%0.803SS**  trans-70.7138.8167.2167.40000109
11G30.4Very low36.3Very low77 Ų77131.3 Ų131.379%0.79480%0.797SS**  trans163.2104.3165.700000111.7
12G27.4Very low37.3Very low78 Ų78123.6 Ų123.680%0.80476%0.763SS**  trans171.663177.600000112.8
13D38.8Very low38.5Very low157 Ų157121.8 Ų121.884%0.8474%0.744SS**  trans-47.7130.3160.9-175.934.5000111.2
14S37.3Very low40.5Very low117 Ų117118 Ų11882%0.81873%0.729SS**  trans-168.9100.6153.5-87.90000108.9
15G41.5Very low42.8Very low70 Ų70115 Ų11572%0.72272%0.72SS**  trans-63.2138.5166.100000111.3
16D37.5Very low45.7Very low125 Ų125120.3 Ų120.367%0.66872%0.718SS**  trans-164.395.8135.3-128.5-10000108Y19D16-Y19 WeakPolarHBondContact OD1-CD2 3.41Å
17S41.5Very low48.6Very low108 Ų108116 Ų11676%0.75568%0.681SS**  trans-128.216.7177.7176.40000111.4
18Y37.8Very low51.6Low202 Ų202112.2 Ų112.279%0.79265%0.648SS**SBendtrans-107.5-5.5-179-91.1-85.3000113.8
19Y41.7Very low54.6Low175 Ų175112 Ų11269%0.68664%0.636SS**Hα-helixtrans-96.7-17.2-177.8-80.1-75.8000115.5D16D16-Y19 WeakPolarHBondContact OD1-CD2 3.41Å
20E43.4Very low57.6Low174 Ų174107 Ų10781%0.81361%0.609SS**Hα-helixtrans-76.6-34.1177.5-68.8-140.8162.800112.8C23 D24E20-C23 PolarHBondContact O-N 3.41Å; E20-D24 PolarHBondContact O-N 2.91Å
21D50.9Low60.5Low125 Ų125100.4 Ų100.467%0.66857%0.569SS**Hα-helixtrans-71.8-36.6-175.3-16037.3000112.8C23 D24 D25D21-C23 VanDerWaalsContact C-N 3.33Å; D21-C23 PolarHBondContact O-N 3.2Å; D21-D24 PolarHBondContact O-N 3.43Å; D21-D25 PolarHBondContact O-N 3.23Å; D21-D25 VanDerWaalsContact O-N 3.1Å
22V54.7Low63.7Low81 Ų8198.9 Ų98.949%0.49154%0.544SS..Hα-helixtrans-71.4-31178.4-177.40000111.8R26V22-R26 PolarHBondContact O-N 3.35Å
23C58.4Low67Low67 Ų6799.8 Ų99.845%0.45353%0.527SS..Hα-helixtrans-70.5-41.2176.5-154.50000110.2E20 D21 R26 V27E20-C23 PolarHBondContact O-N 3.41Å; D21-C23 VanDerWaalsContact C-N 3.33Å; D21-C23 PolarHBondContact O-N 3.2Å; C23-R26 PolarHBondContact O-N 3.32Å; C23-V27 VanDerWaalsContact O-CG2 3.25Å; C23-V27 WeakPolarHBondContact O-CG2 3.34Å; C23-V27 PolarHBondContact O-N 3.24Å
24D75.1Confident69.8Low69 Ų6992.5 Ų92.537%0.36949%0.488SS..Hα-helixtrans-63-43.8177.1-159.122.5000111.6E20 D21 R26 V27 V28E20-D24 PolarHBondContact O-N 2.91Å; D21-D24 PolarHBondContact O-N 3.43Å; D24-R26 VanDerWaalsContact C-N 3.35Å; D24-R26 PolarHBondContact O-N 3.47Å; D24-V27 PolarHBondContact O-N 2.89Å; D24-V27 VanDerWaalsContact O-N 3.16Å; D24-V28 WeakPolarHBondContact O-CB 3.29Å; D24-V28 VanDerWaalsContact O-CG2 3.23Å; D24-V28 WeakPolarHBondContact O-CG2 3.35Å; D24-V28 PolarHBondContact O-N 3.42Å
25D86.3Confident72.6Confident112 Ų11286.9 Ų86.960%0.59945%0.449SS*.Hα-helixtrans-61.1-39.1179.7-170.557.4000113.2D21 V28 K29D21-D25 PolarHBondContact O-N 3.23Å; D21-D25 VanDerWaalsContact O-N 3.1Å; D25-V28 PolarHBondContact O-N 3.49Å; D25-K29 WeakPolarHBondContact O-CB 3.43Å; D25-K29 PolarHBondContact O-N 2.63Å
26R90.1Very high75.1Confident186 Ų18688.1 Ų88.170%0.70244%0.436SS*.Hα-helixtrans-66-40.7176.3-70.2-177.4-176.4-162.82.4112.4V22 C23 D24 K29 A30V22-R26 PolarHBondContact O-N 3.35Å; C23-R26 PolarHBondContact O-N 3.32Å; D24-R26 VanDerWaalsContact C-N 3.35Å; D24-R26 PolarHBondContact O-N 3.47Å; R26-K29 PolarHBondContact O-N 2.77Å; R26-A30 WeakPolarHBondContact O-CB 3.47Å; R26-A30 PolarHBondContact O-N 2.95Å
27V93.9Very high77.9Confident8 Ų884.3 Ų84.35%0.04841%0.414CS..Hα-helixtrans-67-45.5177.8-179.10000110.5C23 D24 K29 A30 A31 L58 P126 Q127 L130C23-V27 VanDerWaalsContact O-CG2 3.25Å; C23-V27 WeakPolarHBondContact O-CG2 3.34Å; C23-V27 PolarHBondContact O-N 3.24Å; D24-V27 PolarHBondContact O-N 2.89Å; D24-V27 VanDerWaalsContact O-N 3.16Å; V27-K29 VanDerWaalsContact C-N 3.29Å; V27-K29 PolarHBondContact O-N 3.26Å; V27-A30 PolarHBondContact O-N 2.9Å; V27-A31 PolarHBondContact O-N 3.44Å; V27-L58 HydrophobicContact CG1-CD1 3.59Å; V27-L58 HydrophobicContact CG1-CD2 4.14Å; V27-P126 HydrophobicContact CG1-CB 3.55Å; V27-Q127 VanDerWaalsContact CG2-CD 3.48Å; V27-Q127 HydrophobicContact CG2-CG 3.57Å; V27-L130 HydrophobicContact CG1-CD1 3.83Å; V27-L130 WeakPolarHBondContact O-CD1 3.21Å
28V94.8Very high80.5Confident18 Ų1879.1 Ų79.111%0.10938%0.378CS..Hα-helixtrans-59-43.8177.6170.90000110.2D24 D25 A31 V32 P54 L58D24-V28 WeakPolarHBondContact O-CB 3.29Å; D24-V28 VanDerWaalsContact O-CG2 3.23Å; D24-V28 WeakPolarHBondContact O-CG2 3.35Å; D24-V28 PolarHBondContact O-N 3.42Å; D25-V28 PolarHBondContact O-N 3.49Å; V28-A31 PolarHBondContact O-N 2.94Å; V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 3.42Å; V28-V32 VanDerWaalsContact O-N 3.08Å; V28-P54 HydrophobicContact CG1-CB 3.22Å; V28-P54 HydrophobicContact CG1-CG 4.41Å; V28-L58 HydrophobicContact CG2-CD2 3.92Å
29K95.2Very high83.1Confident129 Ų12973.5 Ų73.556%0.56136%0.357SS*.Hα-helixtrans-60.6-47.6174.1-172.3-176178.9-163.60112.2D25 R26 V27 A31 V32 E33D25-K29 WeakPolarHBondContact O-CB 3.43Å; D25-K29 PolarHBondContact O-N 2.63Å; R26-K29 PolarHBondContact O-N 2.77Å; V27-K29 VanDerWaalsContact C-N 3.29Å; V27-K29 PolarHBondContact O-N 3.26Å; K29-A31 VanDerWaalsContact C-N 3.27Å; K29-A31 PolarHBondContact O-N 3.46Å; K29-V32 PolarHBondContact O-N 3.09Å; K29-E33 WeakPolarHBondContact CE-OE1 3.47Å; K29-E33 IonicContact NZ-OE1 3.85Å; K29-E33 WeakPolarHBondContact O-CG 3.4Å; K29-E33 PolarHBondContact O-N 3.48Å
30A96.6Very high85.5Confident31 Ų3168 Ų6826%0.25635%0.354SS..Hα-helixtrans-60.2-37.4177.500000112.1R26 V27 E33 V34 L130R26-A30 WeakPolarHBondContact O-CB 3.47Å; R26-A30 PolarHBondContact O-N 2.95Å; V27-A30 PolarHBondContact O-N 2.9Å; A30-E33 PolarHBondContact O-N 3.25Å; A30-V34 WeakPolarHBondContact O-CG2 3.43Å; A30-V34 PolarHBondContact O-N 3Å; A30-L130 HydrophobicContact CB-CD1 4.02Å
31A97.3Very high87.7Confident0 Ų061.5 Ų61.50%033%0.326CS..Hα-helixtrans-64.5-42.6175.800000112.2V27 V28 K29 E33 V34 F35 I57 L58 L61 L130V27-A31 PolarHBondContact O-N 3.44Å; V28-A31 PolarHBondContact O-N 2.94Å; K29-A31 VanDerWaalsContact C-N 3.27Å; K29-A31 PolarHBondContact O-N 3.46Å; A31-E33 VanDerWaalsContact C-N 3.34Å; A31-V34 PolarHBondContact O-N 2.91Å; A31-F35 VanDerWaalsContact O-CB 3.26Å; A31-F35 WeakPolarHBondContact O-CB 3.41Å; A31-F35 PolarHBondContact O-N 3.3Å; A31-I57 HydrophobicContact CB-CG2 4.23Å; A31-I57 WeakPolarHBondContact O-CG2 3.26Å; A31-L58 HydrophobicContact CB-CB 4.01Å; A31-L58 HydrophobicContact CB-CD1 3.82Å; A31-L61 HydrophobicContact CB-CD1 4.45Å; A31-L61 WeakPolarHBondContact O-CD1 3.5Å; A31-L130 HydrophobicContact CB-CD1 3.91Å; A31-L130 HydrophobicContact CB-CD2 3.97Å
32V96.6Very high89.7Confident45 Ų4563.9 Ų63.927%0.27333%0.33SS..Hα-helixtrans-62.1-43.1174.4174.30000110.8V28 K29 F35 E36 P54 I57V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 3.42Å; V28-V32 VanDerWaalsContact O-N 3.08Å; K29-V32 PolarHBondContact O-N 3.09Å; V32-F35 PolarHBondContact O-N 3.45Å; V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.47Å; V32-E36 PolarHBondContact O-N 3.41Å; V32-P54 HydrophobicContact CG2-CB 3.79Å; V32-P54 HydrophobicContact CG2-CG 4.19Å; V32-I57 HydrophobicContact CG2-CD1 4.21Å
33E96.9Very high91.5Very high97 Ų9760 Ų6045%0.45331%0.307SS..Hα-helixtrans-60.7-49.1177.1-71.6173.7-174.500111.7K29 A30 A31 F35 E36 K37K29-E33 WeakPolarHBondContact CE-OE1 3.47Å; K29-E33 IonicContact NZ-OE1 3.85Å; K29-E33 WeakPolarHBondContact O-CG 3.4Å; K29-E33 PolarHBondContact O-N 3.48Å; A30-E33 PolarHBondContact O-N 3.25Å; A31-E33 VanDerWaalsContact C-N 3.34Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.94Å; E33-E36 PolarHBondContact O-N 3.31Å; E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.03Å
34V97.4Very high93.2Very high3 Ų359.7 Ų59.72%0.01830%0.304CS..Hα-helixtrans-60.1-40.7175.9170.70000111.4A30 A31 K37 L38 L61 L130 M133 D134 L137A30-V34 WeakPolarHBondContact O-CG2 3.43Å; A30-V34 PolarHBondContact O-N 3Å; A31-V34 PolarHBondContact O-N 2.91Å; V34-K37 WeakPolarHBondContact O-CB 3.39Å; V34-K37 PolarHBondContact O-N 2.88Å; V34-L38 HydrophobicContact CG1-CD1 4.23Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.42Å; V34-L61 HydrophobicContact CB-CD1 4.21Å; V34-L61 HydrophobicContact CG1-CD1 3.94Å; V34-L130 HydrophobicContact CB-CD2 4.35Å; V34-L130 HydrophobicContact CG2-CB 4.48Å; V34-L130 HydrophobicContact CG2-CD2 4.28Å; V34-M133 HydrophobicContact CG1-CB 3.96Å; V34-D134 HydrophobicContact CG2-CB 3.98Å; V34-L137 HydrophobicContact CG1-CD1 3.94Å
35F96.7Very high94.1Very high0 Ų059.6 Ų59.60%030%0.301CS..Hα-helixtrans-65.6-44.1178.7-171.9-109.3000112.9A31 V32 E33 K37 L38 K39 L46 I51 I57 L60 L61A31-F35 VanDerWaalsContact O-CB 3.26Å; A31-F35 WeakPolarHBondContact O-CB 3.41Å; A31-F35 PolarHBondContact O-N 3.3Å; V32-F35 PolarHBondContact O-N 3.45Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.94Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.08Å; F35-L38 WeakPolarHBondContact O-CB 3.36Å; F35-L38 PolarHBondContact O-N 2.9Å; F35-K39 HydrophobicContact CD1-CD 4.49Å; F35-K39 HydrophobicContact CE1-CD 4.34Å; F35-K39 PolarHBondContact O-N 3.48Å; F35-L46 HydrophobicContact CD2-CD1 4.14Å; F35-L46 HydrophobicContact CD2-CD2 4.33Å; F35-L46 HydrophobicContact CE2-CD1 3.92Å; F35-L46 HydrophobicContact CE2-CD2 3.63Å; F35-L46 HydrophobicContact CE2-CG 4.4Å; F35-L46 HydrophobicContact CZ-CD1 4.46Å; F35-L46 HydrophobicContact CZ-CD2 4.4Å; F35-I51 HydrophobicContact CZ-CB 4.33Å; F35-I57 HydrophobicContact CB-CG2 3.45Å; F35-I57 VanDerWaalsContact CB-CG2 3.45Å; F35-I57 HydrophobicContact CD1-CD1 3.65Å; F35-I57 HydrophobicContact CD1-CG1 4.04Å; F35-I57 HydrophobicContact CD1-CG2 4.26Å; F35-I57 HydrophobicContact CD2-CG1 4.5Å; F35-I57 HydrophobicContact CD2-CG2 3.95Å; F35-I57 HydrophobicContact CE1-CD1 3.93Å; F35-I57 HydrophobicContact CE1-CG1 4.13Å; F35-I57 HydrophobicContact CG-CD1 4.17Å; F35-I57 HydrophobicContact CG-CG1 4.21Å; F35-I57 HydrophobicContact CG-CG2 3.66Å; F35-I57 HydrophobicContact CZ-CG1 4.46Å; F35-L60 HydrophobicContact CD2-CD2 4.45Å; F35-L60 HydrophobicContact CE2-CD2 3.89Å; F35-L61 HydrophobicContact CB-CD1 4.27Å
36E95Very high94.3Very high95 Ų9554.9 Ų54.944%0.44428%0.275SS..Hα-helixtrans-65.3-36.1173.4-69.7-55.3129.300111.2V32 E33 L38 K39 G40V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.47Å; V32-E36 PolarHBondContact O-N 3.41Å; E33-E36 PolarHBondContact O-N 3.31Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 3.22Å; E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 IonicContact OE1-NZ 2.75Å; E36-K39 PolarHBondContact OE1-NZ 3.45Å; E36-G40 PolarHBondContact O-N 3.37Å
37K95.6Very high94.1Very high45 Ų4551.7 Ų51.720%0.19627%0.272CS..Hα-helixtrans-60.2-43.8172.4-74.7-176171.4-164.30111.4E33 V34 F35 G40 V41 D134 L137 D138 R141E33-K37 WeakPolarHBondContact O-CB 3.39Å; E33-K37 VanDerWaalsContact O-CG 3.28Å; E33-K37 WeakPolarHBondContact O-CG 3.33Å; E33-K37 PolarHBondContact O-N 3.03Å; V34-K37 WeakPolarHBondContact O-CB 3.39Å; V34-K37 PolarHBondContact O-N 2.88Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.08Å; K37-G40 PolarHBondContact O-N 3.42Å; K37-V41 PolarHBondContact O-N 3.36Å; K37-D134 WeakPolarHBondContact CD-OD1 3.43Å; K37-D134 WeakPolarHBondContact CE-OD1 3.41Å; K37-D134 IonicContact NZ-OD1 2.79Å; K37-D134 PolarHBondContact NZ-OD1 2.74Å; K37-D134 IonicContact NZ-OD2 3.69Å; K37-D134 PolarHBondContact NZ-OD2 3.43Å; K37-L137 HydrophobicContact CB-CD1 3.9Å; K37-D138 IonicContact NZ-OD1 2.56Å; K37-D138 PolarHBondContact NZ-OD1 2.83Å; K37-D138 IonicContact NZ-OD2 3.85Å; K37-D138 PolarHBondContact NZ-OD2 3.16Å; K37-R141 VanDerWaalsContact CD-NH1 3.28Å; K37-R141 VanDerWaalsContact CG-NH1 3.35Å; K37-R141 VanDerWaalsContact CG-NH2 3.26Å; K37-R141 PolarHBondContact O-NH2 3.37Å
38L95.8Very high93.4Very high0 Ų054.2 Ų54.20%030%0.3CS..Hα-helixtrans-62.5-41.5175.8-77.6163.3000112.8V34 F35 E36 G40 V41 K42 C43 L46 L61 I71 W74 M75 M133 L137V34-L38 HydrophobicContact CG1-CD1 4.23Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.42Å; F35-L38 WeakPolarHBondContact O-CB 3.36Å; F35-L38 PolarHBondContact O-N 2.9Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 3.22Å; L38-G40 VanDerWaalsContact C-N 3.34Å; L38-V41 WeakPolarHBondContact O-CG2 3.32Å; L38-V41 PolarHBondContact O-N 2.85Å; L38-K42 PolarHBondContact O-N 3.37Å; L38-C43 HydrophobicContact CB-CB 4.28Å; L38-C43 HydrophobicContact CD2-CB 4.14Å; L38-C43 WeakPolarHBondContact O-CB 3.13Å; L38-C43 PolarHBondContact O-N 3.27Å; L38-C43 VanDerWaalsContact O-N 3.11Å; L38-L46 HydrophobicContact CB-CD1 3.51Å; L38-L61 HydrophobicContact CD1-CD2 3.8Å; L38-I71 HydrophobicContact CD1-CG2 4.19Å; L38-I71 HydrophobicContact CD2-CG2 4Å; L38-W74 HydrophobicContact CD2-CZ3 4.21Å; L38-M75 HydrophobicContact CD2-CG 4.3Å; L38-M75 HydrophobicContact CD2-SD 3.87Å; L38-M133 HydrophobicContact CD1-CE 4.3Å; L38-L137 HydrophobicContact CD2-CD1 4.23Å; L38-L137 HydrophobicContact CD2-CD2 3.74Å; L38-L137 HydrophobicContact CD2-CG 4.49Å; L38-L137 HydrophobicContact CG-CD1 3.92Å; L38-L137 HydrophobicContact CG-CD2 4.19Å
39K93Very high93Very high83 Ų8356.3 Ų56.336%0.36131%0.31SS..Hα-helixtrans-61.9-42.9172.4-72.9179.8-177.2162.40111.6F35 E36 V41 K42 L46F35-K39 HydrophobicContact CD1-CD 4.49Å; F35-K39 HydrophobicContact CE1-CD 4.34Å; F35-K39 PolarHBondContact O-N 3.48Å; E36-K39 PolarHBondContact O-N 3.22Å; E36-K39 IonicContact OE1-NZ 2.75Å; E36-K39 PolarHBondContact OE1-NZ 3.45Å; K39-V41 PolarHBondContact O-N 3.33Å; K39-K42 WeakPolarHBondContact O-CA 3.43Å; K39-K42 PolarHBondContact O-N 2.95Å; K39-L46 HydrophobicContact CG-CD1 3.96Å
40G91.1Very high92.4Very high60 Ų6060.5 Ų60.562%0.61932%0.324SS*.Hα-helixtrans-60-3317900000113.5E36 K37 L38 K42E36-G40 PolarHBondContact O-N 3.37Å; K37-G40 PolarHBondContact O-N 3.42Å; L38-G40 VanDerWaalsContact C-N 3.34Å; G40-K42 VanDerWaalsContact C-N 3.3Å
41V91.3Very high92Very high37 Ų3760.4 Ų60.422%0.22432%0.319CS..THydrogen-bonded Turntrans-89.28.7174.4-60.90000113.6K37 L38 K39 C43 W74 L137 M140 R141K37-V41 PolarHBondContact O-N 3.36Å; L38-V41 WeakPolarHBondContact O-CG2 3.32Å; L38-V41 PolarHBondContact O-N 2.85Å; K39-V41 PolarHBondContact O-N 3.33Å; V41-C43 PolarHBondContact O-N 2.9Å; V41-W74 HydrophobicContact CB-CH2 4.28Å; V41-W74 HydrophobicContact CG2-CH2 3.64Å; V41-W74 HydrophobicContact CG2-CZ3 3.98Å; V41-L137 HydrophobicContact CG2-CD2 3.91Å; V41-M140 HydrophobicContact CG2-CE 4.36Å; V41-R141 HydrophobicContact CG1-CG 4.28Å
42K91.5Very high91.5Very high175 Ų17566.4 Ų66.476%0.76136%0.356SS*.THydrogen-bonded Turntrans5350179.9-58.4179.3-179.5177.60112.5L38 K39 G40 P44L38-K42 PolarHBondContact O-N 3.37Å; K39-K42 WeakPolarHBondContact O-CA 3.43Å; K39-K42 PolarHBondContact O-N 2.95Å; G40-K42 VanDerWaalsContact C-N 3.3Å; K42-P44 WeakPolarHBondContact O-CD 3.24Å
43C93.4Very high91.3Very high1 Ų170 Ų701%0.00737%0.369CS..  trans-56.9117.9173177.90000110L38 V41 F45 L46 W74L38-C43 HydrophobicContact CB-CB 4.28Å; L38-C43 HydrophobicContact CD2-CB 4.14Å; L38-C43 WeakPolarHBondContact O-CB 3.13Å; L38-C43 PolarHBondContact O-N 3.27Å; L38-C43 VanDerWaalsContact O-N 3.11Å; V41-C43 PolarHBondContact O-N 2.9Å; C43-F45 PolarHBondContact O-N 2.96Å; C43-F45 VanDerWaalsContact O-N 3.17Å; C43-L46 HydrophobicContact CB-CD1 4.27Å; C43-L46 HydrophobicContact CB-CG 4.08Å; C43-L46 PolarHBondContact O-N 3.36Å; C43-W74 HydrophobicContact CB-CE3 4.04Å; C43-W74 HydrophobicContact CB-CH2 3.84Å; C43-W74 HydrophobicContact CB-CZ2 4.47Å; C43-W74 HydrophobicContact CB-CZ3 3.59Å
44P93.6Very high91.2Very high60 Ų6067.9 Ų67.939%0.3936%0.364SS..G310 helixtrans-67.6-21.7-171.227.5-35.3000112.5K42 L46 D47 W74K42-P44 WeakPolarHBondContact O-CD 3.24Å; P44-L46 VanDerWaalsContact C-N 3.27Å; P44-L46 PolarHBondContact O-N 3.11Å; P44-D47 WeakPolarHBondContact O-CB 3.35Å; P44-D47 PolarHBondContact O-N 3.34Å; P44-W74 HydrophobicContact CG-CG 4.41Å
45F93.1Very high90.9Very high67 Ų6773.8 Ų73.829%0.29439%0.39SS..G310 helixtrans-67.6-34.3176.7-63.4-80.6000110.4C43 D47 L49 Y67 D70 I71 W74C43-F45 PolarHBondContact O-N 2.96Å; C43-F45 VanDerWaalsContact O-N 3.17Å; F45-D47 PolarHBondContact O-N 2.93Å; F45-L49 VanDerWaalsContact O-CD1 3.27Å; F45-L49 WeakPolarHBondContact O-CD1 3.34Å; F45-Y67 HydrophobicContact CB-CE2 4.21Å; F45-Y67 WeakPolarHBondContact CB-OH 3.48Å; F45-Y67 PolarHBondContact O-OH 3.04Å; F45-D70 HydrophobicContact CD1-CB 3.86Å; F45-D70 HydrophobicContact CE1-CB 3.57Å; F45-D70 HydrophobicContact CZ-CB 4.01Å; F45-I71 HydrophobicContact CB-CG1 3.9Å; F45-I71 HydrophobicContact CG-CG1 4.35Å; F45-W74 HydrophobicContact CD2-CB 4.06Å; F45-W74 HydrophobicContact CD2-CG 4.28Å; F45-W74 HydrophobicContact CE2-CB 3.57Å; F45-W74 AromaticContact CE2-CG 3.92Å; F45-W74 HydrophobicContact CE2-CG 3.92Å
46L91.8Very high90.8Very high13 Ų1376.3 Ų76.37%0.06841%0.405CS..G310 helixtrans-76.3-10.6-179-58.4-170.1000113.4F35 L38 K39 C43 P44 G48 L49 L60 Y67 I71F35-L46 HydrophobicContact CD2-CD1 4.14Å; F35-L46 HydrophobicContact CD2-CD2 4.33Å; F35-L46 HydrophobicContact CE2-CD1 3.92Å; F35-L46 HydrophobicContact CE2-CD2 3.63Å; F35-L46 HydrophobicContact CE2-CG 4.4Å; F35-L46 HydrophobicContact CZ-CD1 4.46Å; F35-L46 HydrophobicContact CZ-CD2 4.4Å; L38-L46 HydrophobicContact CB-CD1 3.51Å; K39-L46 HydrophobicContact CG-CD1 3.96Å; C43-L46 HydrophobicContact CB-CD1 4.27Å; C43-L46 HydrophobicContact CB-CG 4.08Å; C43-L46 PolarHBondContact O-N 3.36Å; P44-L46 VanDerWaalsContact C-N 3.27Å; P44-L46 PolarHBondContact O-N 3.11Å; L46-G48 PolarHBondContact O-N 3.36Å; L46-L49 PolarHBondContact O-N 2.96Å; L46-L49 VanDerWaalsContact O-N 3.1Å; L46-L60 HydrophobicContact CD2-CD2 4.48Å; L46-Y67 PolarHBondContact N-OH 2.88Å; L46-I71 HydrophobicContact CD2-CD1 4.22Å
47D85.4Confident90.8Very high119 Ų11972 Ų7264%0.63639%0.385SS*.THydrogen-bonded Turntrans-63.1121.4179.6-72.3-25.7000110.6P44 F45P44-D47 WeakPolarHBondContact O-CB 3.35Å; P44-D47 PolarHBondContact O-N 3.34Å; F45-D47 PolarHBondContact O-N 2.93Å
48G80.3Confident90.8Very high61 Ų6171 Ų7163%0.62938%0.381SS*.THydrogen-bonded Turntrans84.21.1-178.500000115.4L46 Y50L46-G48 PolarHBondContact O-N 3.36Å; G48-Y50 WeakPolarHBondContact O-CD2 3.45Å; G48-Y50 WeakPolarHBondContact O-CE2 3.49Å
49L85.6Confident90.8Very high61 Ų6175.2 Ų75.232%0.31940%0.402SS..  trans-89.8112.6171.2-82.6142.6000111.7F45 L46 I51 Y67F45-L49 VanDerWaalsContact O-CD1 3.27Å; F45-L49 WeakPolarHBondContact O-CD1 3.34Å; L46-L49 PolarHBondContact O-N 2.96Å; L46-L49 VanDerWaalsContact O-N 3.1Å; L49-I51 VanDerWaalsContact C-N 3.31Å; L49-I51 HydrophobicContact CB-CG1 4.47Å; L49-I51 HydrophobicContact CD2-CD1 3.72Å; L49-I51 HydrophobicContact CD2-CG1 4.07Å; L49-I51 PolarHBondContact O-N 3.12Å; L49-Y67 HydrophobicContact CD1-CE1 4.18Å; L49-Y67 HydrophobicContact CD1-CE2 3.86Å; L49-Y67 WeakPolarHBondContact CD1-OH 3.09Å
50Y83.4Confident90.9Very high217 Ų21772.5 Ų72.585%0.85139%0.391SS*.  trans-94.654.1176.5-57.4-81.8000111.2G48G48-Y50 WeakPolarHBondContact O-CD2 3.45Å; G48-Y50 WeakPolarHBondContact O-CE2 3.49Å
51I87.6Confident91.1Very high29 Ų2969.7 Ų69.715%0.14936%0.361CS..  trans-86.9122.6175.3-56.1173.1000108.6F35 L49 T56 I57 L60F35-I51 HydrophobicContact CZ-CB 4.33Å; L49-I51 VanDerWaalsContact C-N 3.31Å; L49-I51 HydrophobicContact CB-CG1 4.47Å; L49-I51 HydrophobicContact CD2-CD1 3.72Å; L49-I51 HydrophobicContact CD2-CG1 4.07Å; L49-I51 PolarHBondContact O-N 3.12Å; I51-T56 HydrophobicContact CD1-CG2 4.4Å; I51-T56 HydrophobicContact CG2-CG2 3.83Å; I51-I57 HydrophobicContact CG2-CG1 3.66Å; I51-L60 HydrophobicContact CD1-CD2 3.95Å
52T85.9Confident91.4Very high127 Ų12768.3 Ų68.378%0.77935%0.354SS*.  trans-122.3-17.2177.652.20000112.9P54T52-P54 WeakPolarHBondContact O-CD 3.25Å
53E93.8Very high91.5Very high119 Ų11966.9 Ų66.956%0.55634%0.343SS*.  trans-79.4121-178.4-172168.1-17100111.1K55 T56 I57E53-K55 VanDerWaalsContact C-N 3.3Å; E53-K55 PolarHBondContact O-N 3.49Å; E53-T56 PolarHBondContact O-N 2.85Å; E53-T56 VanDerWaalsContact O-N 3.11Å; E53-I57 PolarHBondContact O-N 3.43Å; E53-I57 VanDerWaalsContact O-N 3.12Å
54P93.3Very high91.6Very high54 Ų5470.2 Ų70.235%0.35137%0.365SS..Hα-helixtrans-59.2-34.8-174.2-28.536.6000114.7V28 V32 T52 I57 L58V28-P54 HydrophobicContact CG1-CB 3.22Å; V28-P54 HydrophobicContact CG1-CG 4.41Å; V32-P54 HydrophobicContact CG2-CB 3.79Å; V32-P54 HydrophobicContact CG2-CG 4.19Å; T52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-I57 PolarHBondContact O-N 2.66Å; P54-L58 PolarHBondContact O-N 2.89Å
55K92.3Very high91.6Very high127 Ų12769.7 Ų69.755%0.55236%0.363SS*.Hα-helixtrans-67.7-38.7177.6-67.9-171.8176.1-171.20112E53 I57 L58 E59E53-K55 VanDerWaalsContact C-N 3.3Å; E53-K55 PolarHBondContact O-N 3.49Å; K55-I57 VanDerWaalsContact C-N 3.34Å; K55-L58 WeakPolarHBondContact O-CB 3.41Å; K55-L58 PolarHBondContact O-N 3.11Å; K55-E59 WeakPolarHBondContact O-CG 3.45Å; K55-E59 PolarHBondContact O-N 3.13Å
56T93.9Very high91.5Very high53 Ų5374.4 Ų74.433%0.32538%0.383SS..Hα-helixtrans-67.4-37175.3-48.20000111.6I51 E53 E59 L60I51-T56 HydrophobicContact CD1-CG2 4.4Å; I51-T56 HydrophobicContact CG2-CG2 3.83Å; E53-T56 PolarHBondContact O-N 2.85Å; E53-T56 VanDerWaalsContact O-N 3.11Å; T56-E59 PolarHBondContact O-N 3.48Å; T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.37Å
57I95.6Very high91.6Very high5 Ų576.6 Ų76.63%0.02639%0.391CS..Hα-helixtrans-61.5-46.4173.1-66.4170.4000110.3A31 V32 F35 I51 E53 P54 K55 E59 L60 L61A31-I57 HydrophobicContact CB-CG2 4.23Å; A31-I57 WeakPolarHBondContact O-CG2 3.26Å; V32-I57 HydrophobicContact CG2-CD1 4.21Å; F35-I57 HydrophobicContact CB-CG2 3.45Å; F35-I57 VanDerWaalsContact CB-CG2 3.45Å; F35-I57 HydrophobicContact CD1-CD1 3.65Å; F35-I57 HydrophobicContact CD1-CG1 4.04Å; F35-I57 HydrophobicContact CD1-CG2 4.26Å; F35-I57 HydrophobicContact CD2-CG1 4.5Å; F35-I57 HydrophobicContact CD2-CG2 3.95Å; F35-I57 HydrophobicContact CE1-CD1 3.93Å; F35-I57 HydrophobicContact CE1-CG1 4.13Å; F35-I57 HydrophobicContact CG-CD1 4.17Å; F35-I57 HydrophobicContact CG-CG1 4.21Å; F35-I57 HydrophobicContact CG-CG2 3.66Å; F35-I57 HydrophobicContact CZ-CG1 4.46Å; I51-I57 HydrophobicContact CG2-CG1 3.66Å; E53-I57 PolarHBondContact O-N 3.43Å; E53-I57 VanDerWaalsContact O-N 3.12Å; P54-I57 PolarHBondContact O-N 2.66Å; K55-I57 VanDerWaalsContact C-N 3.34Å; I57-E59 VanDerWaalsContact C-N 3.35Å; I57-E59 PolarHBondContact O-N 2.92Å; I57-L60 WeakPolarHBondContact O-CB 3.34Å; I57-L60 PolarHBondContact O-N 3.48Å; I57-L61 HydrophobicContact CG2-CD1 4Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 2.95Å; I57-L61 VanDerWaalsContact O-N 3.1Å
58L95.5Very high92Very high22 Ų2271.2 Ų71.212%0.11536%0.362CS..Hα-helixtrans-59-46.2176.4178.662.3000111.6V27 V28 A31 P54 K55 L60 L61 C62 P126 L130V27-L58 HydrophobicContact CG1-CD1 3.59Å; V27-L58 HydrophobicContact CG1-CD2 4.14Å; V28-L58 HydrophobicContact CG2-CD2 3.92Å; A31-L58 HydrophobicContact CB-CB 4.01Å; A31-L58 HydrophobicContact CB-CD1 3.82Å; P54-L58 PolarHBondContact O-N 2.89Å; K55-L58 WeakPolarHBondContact O-CB 3.41Å; K55-L58 PolarHBondContact O-N 3.11Å; L58-L60 VanDerWaalsContact C-N 3.35Å; L58-L60 PolarHBondContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 2.74Å; L58-C62 HydrophobicContact CD1-CB 4.2Å; L58-C62 VanDerWaalsContact O-CB 3.26Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 3.06Å; L58-P126 HydrophobicContact CD1-CB 4.16Å; L58-L130 HydrophobicContact CD1-CD1 4.05Å
59E94.7Very high92.7Very high90 Ų9069.3 Ų69.342%0.42134%0.337SS..Hα-helixtrans-62.5-41177.5-72.1-171.9165.500112.5K55 T56 I57 L61 R63K55-E59 WeakPolarHBondContact O-CG 3.45Å; K55-E59 PolarHBondContact O-N 3.13Å; T56-E59 PolarHBondContact O-N 3.48Å; I57-E59 VanDerWaalsContact C-N 3.35Å; I57-E59 PolarHBondContact O-N 2.92Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.48Å; E59-R63 VanDerWaalsContact O-CB 3.27Å; E59-R63 WeakPolarHBondContact O-CB 3.35Å; E59-R63 PolarHBondContact O-N 2.85Å; E59-R63 IonicContact OE1-CZ 3.22Å; E59-R63 IonicContact OE1-NH1 2.69Å; E59-R63 PolarHBondContact OE1-NH1 3.41Å; E59-R63 IonicContact OE1-NH2 3.34Å; E59-R63 PolarHBondContact OE1-NH2 3.45Å; E59-R63 IonicContact OE2-NH1 3.51Å
60L95.6Very high93.1Very high26 Ų2667.9 Ų67.914%0.13633%0.33CS..Hα-helixtrans-58.4-45.4177.5-174.370.7000112.2F35 L46 I51 T56 I57 L58 Y67F35-L60 HydrophobicContact CD2-CD2 4.45Å; F35-L60 HydrophobicContact CE2-CD2 3.89Å; L46-L60 HydrophobicContact CD2-CD2 4.48Å; I51-L60 HydrophobicContact CD1-CD2 3.95Å; T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.37Å; I57-L60 WeakPolarHBondContact O-CB 3.34Å; I57-L60 PolarHBondContact O-N 3.48Å; L58-L60 VanDerWaalsContact C-N 3.35Å; L58-L60 PolarHBondContact O-N 3.1Å; L60-Y67 HydrophobicContact CD1-CD1 3.32Å; L60-Y67 HydrophobicContact CD1-CE1 3.57Å; L60-Y67 HydrophobicContact CD1-CG 4.31Å; L60-Y67 HydrophobicContact CD2-CE1 4.07Å; L60-Y67 HydrophobicContact CG-CD1 4.1Å; L60-Y67 HydrophobicContact CG-CE1 4.08Å
61L96.4Very high93.7Very high0 Ų057.6 Ų57.60%029%0.29CS..Hα-helixtrans-84.6-30.3-174-62.9178.2000112.9A31 V34 F35 L38 I57 L58 E59 R68 L130 M133A31-L61 HydrophobicContact CB-CD1 4.45Å; A31-L61 WeakPolarHBondContact O-CD1 3.5Å; V34-L61 HydrophobicContact CB-CD1 4.21Å; V34-L61 HydrophobicContact CG1-CD1 3.94Å; F35-L61 HydrophobicContact CB-CD1 4.27Å; L38-L61 HydrophobicContact CD1-CD2 3.8Å; I57-L61 HydrophobicContact CG2-CD1 4Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 2.95Å; I57-L61 VanDerWaalsContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 2.74Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.48Å; L61-R68 WeakPolarHBondContact O-CD 3.25Å; L61-R68 PolarHBondContact O-NE 3.49Å; L61-L130 HydrophobicContact CB-CD2 4.17Å; L61-L130 HydrophobicContact CD1-CD2 4.04Å; L61-M133 HydrophobicContact CB-SD 4.34Å; L61-M133 HydrophobicContact CD2-CE 3.91Å; L61-M133 HydrophobicContact CD2-SD 4.35Å
62C96.1Very high94.1Very high9 Ų956.2 Ų56.26%0.06128%0.282CS..Hα-helixtrans-110.6-15.4-169.7-64.40000115L58 P126 Q129L58-C62 HydrophobicContact CD1-CB 4.2Å; L58-C62 VanDerWaalsContact O-CB 3.26Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 3.06Å; C62-P126 HydrophobicContact CB-CB 4.17Å; C62-P126 HydrophobicContact CB-CG 4.44Å; C62-Q129 VanDerWaalsContact CA-OE1 3.3Å; C62-Q129 PolarHBondContact O-NE2 3.02Å; C62-Q129 PolarHBondContact O-OE1 2.93Å; C62-Q129 VanDerWaalsContact O-OE1 3.09Å
63R95.3Very high94.5Very high144 Ų14452 Ų5254%0.54325%0.254SS..SBendtrans-93147.7177.3-70.5-166.4168.8150.98.2112.6E59 S65 R68E59-R63 VanDerWaalsContact O-CB 3.27Å; E59-R63 WeakPolarHBondContact O-CB 3.35Å; E59-R63 PolarHBondContact O-N 2.85Å; E59-R63 IonicContact OE1-CZ 3.22Å; E59-R63 IonicContact OE1-NH1 2.69Å; E59-R63 PolarHBondContact OE1-NH1 3.41Å; E59-R63 IonicContact OE1-NH2 3.34Å; E59-R63 PolarHBondContact OE1-NH2 3.45Å; E59-R63 IonicContact OE2-NH1 3.51Å; R63-S65 PolarHBondContact O-N 2.97Å; R63-S65 VanDerWaalsContact O-N 3.09Å; R63-R68 WeakPolarHBondContact O-CD 3.21Å
64P95.4Very high94.6Very high71 Ų7148.3 Ų48.346%0.46124%0.235SC..  trans-59.4117.4175.5-20.733.5000110.4M121 G122 R123P64-M121 WeakPolarHBondContact CA-O 3.46Å; P64-M121 VanDerWaalsContact CB-O 3.26Å; P64-M121 WeakPolarHBondContact CB-O 3.06Å; P64-M121 WeakPolarHBondContact CG-O 3.19Å; P64-G122 WeakPolarHBondContact CD-O 3.13Å; P64-G122 WeakPolarHBondContact CG-O 3.36Å; P64-R123 HydrophobicContact CG-CG 4.11Å
65S93.2Very high94.7Very high49 Ų4945.8 Ų45.834%0.34322%0.218SC..  trans-155.2154175.270.70000110R63 Y67 R68 L69R63-S65 PolarHBondContact O-N 2.97Å; R63-S65 VanDerWaalsContact O-N 3.09Å; S65-Y67 PolarHBondContact O-N 2.98Å; S65-R68 PolarHBondContact O-N 2.73Å; S65-R68 VanDerWaalsContact OG-CB 3.26Å; S65-R68 WeakPolarHBondContact OG-CB 3.18Å; S65-R68 PolarHBondContact OG-N 3.45Å; S65-L69 PolarHBondContact O-N 2.98Å
66K91.4Very high94.8Very high167 Ų16739.8 Ų39.873%0.72619%0.192SC*.Hα-helixtrans-56.4-43172.4176.1174.3176.7170.50110.9R68 L69 D70K66-R68 PolarHBondContact O-N 2.88Å; K66-L69 WeakPolarHBondContact O-CB 3.26Å; K66-L69 PolarHBondContact O-N 3.25Å; K66-L69 VanDerWaalsContact O-N 3.11Å; K66-D70 VanDerWaalsContact O-CG 3.29Å; K66-D70 PolarHBondContact O-N 3.32Å
67Y93Very high94.8Very high59 Ų5938.9 Ų38.923%0.23119%0.185CC..Hα-helixtrans-63.8-41.9-175.9-171-87.5000112.6F45 L46 L49 L60 S65 L69 D70 I71F45-Y67 HydrophobicContact CB-CE2 4.21Å; F45-Y67 WeakPolarHBondContact CB-OH 3.48Å; F45-Y67 PolarHBondContact O-OH 3.04Å; L46-Y67 PolarHBondContact N-OH 2.88Å; L49-Y67 HydrophobicContact CD1-CE1 4.18Å; L49-Y67 HydrophobicContact CD1-CE2 3.86Å; L49-Y67 WeakPolarHBondContact CD1-OH 3.09Å; L60-Y67 HydrophobicContact CD1-CD1 3.32Å; L60-Y67 HydrophobicContact CD1-CE1 3.57Å; L60-Y67 HydrophobicContact CD1-CG 4.31Å; L60-Y67 HydrophobicContact CD2-CE1 4.07Å; L60-Y67 HydrophobicContact CG-CD1 4.1Å; L60-Y67 HydrophobicContact CG-CE1 4.08Å; S65-Y67 PolarHBondContact O-N 2.98Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 2.87Å; Y67-D70 PolarHBondContact O-N 2.88Å; Y67-I71 HydrophobicContact CD1-CD1 3.87Å; Y67-I71 HydrophobicContact CE1-CD1 3.45Å; Y67-I71 VanDerWaalsContact CE1-CD1 3.45Å; Y67-I71 HydrophobicContact CE1-CG1 4.19Å; Y67-I71 PolarHBondContact O-N 2.9Å; Y67-I71 VanDerWaalsContact O-N 3.09Å
68R94.6Very high94.7Very high5 Ų543.2 Ų43.22%0.01920%0.201CC..Hα-helixtrans-58.7-44.1171179.4-176.8174.9-77.9-2112L61 R63 S65 K66 D70 I71 L72 L119 L120 G122L61-R68 WeakPolarHBondContact O-CD 3.25Å; L61-R68 PolarHBondContact O-NE 3.49Å; R63-R68 WeakPolarHBondContact O-CD 3.21Å; S65-R68 PolarHBondContact O-N 2.73Å; S65-R68 VanDerWaalsContact OG-CB 3.26Å; S65-R68 WeakPolarHBondContact OG-CB 3.18Å; S65-R68 PolarHBondContact OG-N 3.45Å; K66-R68 PolarHBondContact O-N 2.88Å; R68-D70 VanDerWaalsContact C-N 3.31Å; R68-D70 PolarHBondContact O-N 3.34Å; R68-I71 PolarHBondContact O-N 2.94Å; R68-L72 HydrophobicContact CG-CD1 4.29Å; R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.4Å; R68-L119 PolarHBondContact NH2-O 3.44Å; R68-L120 PolarHBondContact NH1-O 2.93Å; R68-G122 VanDerWaalsContact CZ-CA 3.43Å
69L94.1Very high94.5Very high21 Ų2143 Ų4311%0.1120%0.201CC..Hα-helixtrans-65.4-37.1-180-172.965.9000111.8S65 K66 Y67 L72 E73 V95 I99 M102S65-L69 PolarHBondContact O-N 2.98Å; K66-L69 WeakPolarHBondContact O-CB 3.26Å; K66-L69 PolarHBondContact O-N 3.25Å; K66-L69 VanDerWaalsContact O-N 3.11Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 2.87Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-E73 VanDerWaalsContact O-CB 3.28Å; L69-E73 WeakPolarHBondContact O-CB 3.33Å; L69-E73 PolarHBondContact O-N 3.31Å; L69-V95 HydrophobicContact CD2-CG1 3.74Å; L69-I99 HydrophobicContact CD1-CG1 4.19Å; L69-M102 HydrophobicContact CD1-CE 4.33Å; L69-M102 HydrophobicContact CD1-SD 4.04Å
70D93.6Very high94.4Very high32 Ų3240.3 Ų40.317%0.17119%0.192CC..Hα-helixtrans-66.5-38.1176.2-64.3-23.2000111.3F45 K66 Y67 R68 W74F45-D70 HydrophobicContact CD1-CB 3.86Å; F45-D70 HydrophobicContact CE1-CB 3.57Å; F45-D70 HydrophobicContact CZ-CB 4.01Å; K66-D70 VanDerWaalsContact O-CG 3.29Å; K66-D70 PolarHBondContact O-N 3.32Å; Y67-D70 PolarHBondContact O-N 2.88Å; R68-D70 VanDerWaalsContact C-N 3.31Å; R68-D70 PolarHBondContact O-N 3.34Å; D70-W74 WeakPolarHBondContact O-CB 3.15Å; D70-W74 PolarHBondContact O-N 3.5Å
71I96.1Very high94.1Very high1 Ų143.4 Ų43.41%0.00521%0.213CC..Hα-helixtrans-61.4-50.8171.3-69.8166.1000111.1L38 F45 L46 Y67 R68 E73 W74 M75 M133L38-I71 HydrophobicContact CD1-CG2 4.19Å; L38-I71 HydrophobicContact CD2-CG2 4Å; F45-I71 HydrophobicContact CB-CG1 3.9Å; F45-I71 HydrophobicContact CG-CG1 4.35Å; L46-I71 HydrophobicContact CD2-CD1 4.22Å; Y67-I71 HydrophobicContact CD1-CD1 3.87Å; Y67-I71 HydrophobicContact CE1-CD1 3.45Å; Y67-I71 VanDerWaalsContact CE1-CD1 3.45Å; Y67-I71 HydrophobicContact CE1-CG1 4.19Å; Y67-I71 PolarHBondContact O-N 2.9Å; Y67-I71 VanDerWaalsContact O-N 3.09Å; R68-I71 PolarHBondContact O-N 2.94Å; I71-E73 VanDerWaalsContact C-N 3.34Å; I71-E73 PolarHBondContact O-N 3.4Å; I71-W74 WeakPolarHBondContact O-CB 3.33Å; I71-W74 PolarHBondContact O-N 3.16Å; I71-M75 HydrophobicContact CG2-SD 3.84Å; I71-M75 WeakPolarHBondContact O-CG 3.49Å; I71-M75 PolarHBondContact O-N 3.5Å; I71-M133 HydrophobicContact CG2-CE 3.85Å
72L96.1Very high93.7Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-64-40.8-178.7-73.1172.7000111.5R68 L69 W74 M75 C76 M102 L120 F132 M133R68-L72 HydrophobicContact CG-CD1 4.29Å; R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 2.8Å; L72-W74 VanDerWaalsContact C-N 3.29Å; L72-W74 PolarHBondContact O-N 3.47Å; L72-M75 HydrophobicContact CD2-SD 4.43Å; L72-M75 PolarHBondContact O-N 3.45Å; L72-C76 WeakPolarHBondContact O-CB 3.49Å; L72-C76 PolarHBondContact O-N 3.3Å; L72-C76 PolarHBondContact O-SG 2.76Å; L72-M102 HydrophobicContact CB-CE 3.31Å; L72-L120 HydrophobicContact CD1-CD1 4.17Å; L72-F132 HydrophobicContact CD2-CD1 4.48Å; L72-F132 HydrophobicContact CD2-CE1 4.15Å; L72-M133 HydrophobicContact CD2-CE 3.91Å; L72-M133 HydrophobicContact CD2-CG 3.76Å; L72-M133 HydrophobicContact CD2-SD 4.14Å; L72-M133 HydrophobicContact CG-CE 4.44Å
73E94.8Very high93.4Very high37 Ų3746.8 Ų46.817%0.17324%0.236CC..Hα-helixtrans-55-49173.6171.9177.4-140.900110.7L69 I71 M75 C76 I77 F87 K98 M102L69-E73 VanDerWaalsContact O-CB 3.28Å; L69-E73 WeakPolarHBondContact O-CB 3.33Å; L69-E73 PolarHBondContact O-N 3.31Å; I71-E73 VanDerWaalsContact C-N 3.34Å; I71-E73 PolarHBondContact O-N 3.4Å; E73-M75 PolarHBondContact O-N 3.35Å; E73-C76 PolarHBondContact O-N 3.34Å; E73-I77 HydrophobicContact CG-CD1 3.67Å; E73-I77 HydrophobicContact CG-CG1 4.27Å; E73-I77 WeakPolarHBondContact O-CG1 3.34Å; E73-I77 PolarHBondContact O-N 2.99Å; E73-F87 HydrophobicContact CG-CD2 3.65Å; E73-F87 HydrophobicContact CG-CE2 3.95Å; E73-F87 WeakPolarHBondContact OE1-CB 3.4Å; E73-F87 WeakPolarHBondContact OE1-CD2 3.45Å; E73-K98 VanDerWaalsContact OE1-CE 3.23Å; E73-K98 WeakPolarHBondContact OE1-CE 3.49Å; E73-K98 IonicContact OE1-NZ 3.05Å; E73-K98 PolarHBondContact OE1-NZ 3.32Å; E73-K98 VanDerWaalsContact OE1-NZ 3.16Å; E73-K98 WeakPolarHBondContact OE2-CE 3.5Å; E73-K98 IonicContact OE2-NZ 3.02Å; E73-K98 PolarHBondContact OE2-NZ 3.35Å; E73-M102 VanDerWaalsContact N-CE 3.35Å
74W95.6Very high93.1Very high43 Ų4345 Ų4516%0.16323%0.234CC..Hα-helixtrans-61.2-44-179.9174.479.1000112.4L38 V41 C43 P44 F45 D70 I71 L72 C76 I77 W78 M140L38-W74 HydrophobicContact CD2-CZ3 4.21Å; V41-W74 HydrophobicContact CB-CH2 4.28Å; V41-W74 HydrophobicContact CG2-CH2 3.64Å; V41-W74 HydrophobicContact CG2-CZ3 3.98Å; C43-W74 HydrophobicContact CB-CE3 4.04Å; C43-W74 HydrophobicContact CB-CH2 3.84Å; C43-W74 HydrophobicContact CB-CZ2 4.47Å; C43-W74 HydrophobicContact CB-CZ3 3.59Å; P44-W74 HydrophobicContact CG-CG 4.41Å; F45-W74 HydrophobicContact CD2-CB 4.06Å; F45-W74 HydrophobicContact CD2-CG 4.28Å; F45-W74 HydrophobicContact CE2-CB 3.57Å; F45-W74 AromaticContact CE2-CG 3.92Å; F45-W74 HydrophobicContact CE2-CG 3.92Å; D70-W74 WeakPolarHBondContact O-CB 3.15Å; D70-W74 PolarHBondContact O-N 3.5Å; I71-W74 WeakPolarHBondContact O-CB 3.33Å; I71-W74 PolarHBondContact O-N 3.16Å; L72-W74 VanDerWaalsContact C-N 3.29Å; L72-W74 PolarHBondContact O-N 3.47Å; W74-C76 VanDerWaalsContact C-N 3.34Å; W74-C76 PolarHBondContact O-N 3.01Å; W74-I77 PolarHBondContact O-N 2.84Å; W74-W78 WeakPolarHBondContact O-CB 3.41Å; W74-W78 PolarHBondContact O-N 3.36Å; W74-M140 HydrophobicContact CE3-CE 4.36Å; W74-M140 HydrophobicContact CH2-CE 3.56Å; W74-M140 HydrophobicContact CZ2-CE 4.29Å; W74-M140 HydrophobicContact CZ3-CE 3.61Å
75M95.8Very high92.7Very high0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-59.9-45.3174.7-65.3167.463.500111.2L38 I71 L72 E73 W78 V79 M133 L136 L137 M140L38-M75 HydrophobicContact CD2-CG 4.3Å; L38-M75 HydrophobicContact CD2-SD 3.87Å; I71-M75 HydrophobicContact CG2-SD 3.84Å; I71-M75 WeakPolarHBondContact O-CG 3.49Å; I71-M75 PolarHBondContact O-N 3.5Å; L72-M75 HydrophobicContact CD2-SD 4.43Å; L72-M75 PolarHBondContact O-N 3.45Å; E73-M75 PolarHBondContact O-N 3.35Å; M75-W78 WeakPolarHBondContact O-CB 3.39Å; M75-W78 PolarHBondContact O-N 2.84Å; M75-V79 WeakPolarHBondContact O-CG2 3.44Å; M75-V79 PolarHBondContact O-N 2.78Å; M75-M133 HydrophobicContact CE-CB 4.11Å; M75-M133 HydrophobicContact CE-CE 4.47Å; M75-M133 HydrophobicContact CE-CG 4.5Å; M75-M133 VanDerWaalsContact CE-O 3.27Å; M75-M133 WeakPolarHBondContact CE-O 3.41Å; M75-M133 HydrophobicContact SD-CE 3.8Å; M75-L136 HydrophobicContact CB-CD2 3.62Å; M75-L136 HydrophobicContact CB-CG 4.22Å; M75-L136 HydrophobicContact CE-CB 3.84Å; M75-L136 HydrophobicContact CE-CD2 3.88Å; M75-L136 HydrophobicContact CE-CG 4.06Å; M75-L137 HydrophobicContact CE-CD1 4.18Å; M75-L137 HydrophobicContact CE-CD2 4.01Å; M75-L137 HydrophobicContact CE-CG 3.58Å; M75-M140 HydrophobicContact CB-SD 3.88Å; M75-M140 HydrophobicContact CG-SD 3.92Å
76C94.9Very high92.3Very high1 Ų149.5 Ų49.51%0.00725%0.246CC..Hα-helixtrans-63.9-43177.9-69.40000112.8L72 E73 W74 W78 V79 C80 L83 M102 L105L72-C76 WeakPolarHBondContact O-CB 3.49Å; L72-C76 PolarHBondContact O-N 3.3Å; L72-C76 PolarHBondContact O-SG 2.76Å; E73-C76 PolarHBondContact O-N 3.34Å; W74-C76 VanDerWaalsContact C-N 3.34Å; W74-C76 PolarHBondContact O-N 3.01Å; C76-W78 VanDerWaalsContact C-N 3.28Å; C76-W78 PolarHBondContact O-N 3.47Å; C76-V79 PolarHBondContact O-N 2.82Å; C76-C80 PolarHBondContact O-N 2.88Å; C76-L83 HydrophobicContact CB-CD1 3.97Å; C76-M102 HydrophobicContact CB-CG 4.45Å; C76-L105 HydrophobicContact CB-CD2 3.75Å
77I93.4Very high92.2Very high35 Ų3542.2 Ų42.218%0.17921%0.214CC..Hα-helixtrans-62.4-39.8175.1-70.5170.3000110.3E73 W74 V79 C80 P81 L83 Q84 F87E73-I77 HydrophobicContact CG-CD1 3.67Å; E73-I77 HydrophobicContact CG-CG1 4.27Å; E73-I77 WeakPolarHBondContact O-CG1 3.34Å; E73-I77 PolarHBondContact O-N 2.99Å; W74-I77 PolarHBondContact O-N 2.84Å; I77-V79 PolarHBondContact O-N 3.44Å; I77-C80 CarbonylContact O-C 3.39Å; I77-C80 PolarHBondContact O-N 2.81Å; I77-P81 VanDerWaalsContact O-CA 3.27Å; I77-P81 WeakPolarHBondContact O-CA 3.05Å; I77-P81 VanDerWaalsContact O-N 3.1Å; I77-L83 HydrophobicContact CG1-CB 4.4Å; I77-Q84 HydrophobicContact CD1-CB 4.46Å; I77-Q84 HydrophobicContact CG1-CB 4.46Å; I77-Q84 HydrophobicContact CG2-CB 3.99Å; I77-Q84 HydrophobicContact CG2-CG 4.48Å; I77-F87 HydrophobicContact CD1-CD2 4.03Å; I77-F87 HydrophobicContact CG1-CD2 3.92Å; I77-F87 HydrophobicContact CG1-CE2 4.14Å
78W92.5Very high91.8Very high95 Ų9542.8 Ų42.836%0.3623%0.227SC..Hα-helixtrans-63.9-43.1-179.7-158.5102.9000111.3W74 M75 C76 M140 L143 A144W74-W78 WeakPolarHBondContact O-CB 3.41Å; W74-W78 PolarHBondContact O-N 3.36Å; M75-W78 WeakPolarHBondContact O-CB 3.39Å; M75-W78 PolarHBondContact O-N 2.84Å; C76-W78 VanDerWaalsContact C-N 3.28Å; C76-W78 PolarHBondContact O-N 3.47Å; W78-M140 HydrophobicContact CB-CE 3.75Å; W78-M140 HydrophobicContact CB-CG 4.47Å; W78-M140 HydrophobicContact CB-SD 4.39Å; W78-M140 HydrophobicContact CD2-CB 4.19Å; W78-M140 HydrophobicContact CD2-CE 3.7Å; W78-M140 HydrophobicContact CD2-CG 4.08Å; W78-M140 HydrophobicContact CE3-CB 3.55Å; W78-M140 HydrophobicContact CE3-CE 4.15Å; W78-M140 HydrophobicContact CE3-CG 3.52Å; W78-M140 HydrophobicContact CG-CE 3.52Å; W78-M140 HydrophobicContact CG-CG 4.5Å; W78-M140 HydrophobicContact CH2-CB 4.4Å; W78-M140 WeakPolarHBondContact CH2-O 3.2Å; W78-M140 HydrophobicContact CZ3-CB 3.7Å; W78-M140 HydrophobicContact CZ3-CG 4.16Å; W78-M140 WeakPolarHBondContact CZ3-O 3.37Å; W78-L143 HydrophobicContact CH2-CB 4.21Å; W78-L143 HydrophobicContact CZ3-CB 3.77Å; W78-A144 HydrophobicContact CH2-CB 3.68Å; W78-A144 HydrophobicContact CZ2-CB 4.08Å
79V91.6Very high91.2Very high17 Ų1747.6 Ų47.610%0.10326%0.262CS..Hα-helixtrans-72.3-37.4176.6175.80000112.1M75 C76 I77 L109 L136 M139 M140M75-V79 WeakPolarHBondContact O-CG2 3.44Å; M75-V79 PolarHBondContact O-N 2.78Å; C76-V79 PolarHBondContact O-N 2.82Å; I77-V79 PolarHBondContact O-N 3.44Å; V79-L109 HydrophobicContact CG1-CD1 3.81Å; V79-L136 HydrophobicContact CB-CD1 4.35Å; V79-L136 HydrophobicContact CG2-CD1 3.76Å; V79-L136 HydrophobicContact CG2-CG 4.3Å; V79-M139 HydrophobicContact CG1-CG 4.36Å; V79-M139 HydrophobicContact CG1-SD 3.74Å; V79-M140 HydrophobicContact CG2-CG 3.47Å; V79-M140 VanDerWaalsContact CG2-CG 3.47Å
80C92.2Very high90.5Very high35 Ų3549 Ų4924%0.23627%0.269CS..  trans-133.190.4-179.8-171.90000111.2C76 I77 S82 L83 L105C76-C80 PolarHBondContact O-N 2.88Å; I77-C80 CarbonylContact O-C 3.39Å; I77-C80 PolarHBondContact O-N 2.81Å; C80-S82 PolarHBondContact O-N 2.82Å; C80-S82 PolarHBondContact SG-OG 3.23Å; C80-L83 HydrophobicContact CB-CD1 4.16Å; C80-L83 HydrophobicContact CB-CG 4.22Å; C80-L83 WeakPolarHBondContact O-CB 3.43Å; C80-L83 PolarHBondContact O-N 3.21Å; C80-L105 HydrophobicContact CB-CD1 3.88Å; C80-L105 HydrophobicContact CB-CD2 4.17Å
81P90.1Very high89.3Confident91 Ų9156.5 Ų56.559%0.59130%0.3SS*.THydrogen-bonded Turntrans-57.6-27.8-175.8-29.436.4000114.6I77 L83 Q84I77-P81 VanDerWaalsContact O-CA 3.27Å; I77-P81 WeakPolarHBondContact O-CA 3.05Å; I77-P81 VanDerWaalsContact O-N 3.1Å; P81-L83 PolarHBondContact O-N 3.42Å; P81-L83 VanDerWaalsContact O-N 3.1Å; P81-Q84 VanDerWaalsContact O-CB 3.27Å; P81-Q84 WeakPolarHBondContact O-CB 3.39Å; P81-Q84 PolarHBondContact O-N 3.17Å
82S87.9Confident87.7Confident72 Ų7260.2 Ų60.250%0.50334%0.339SS..THydrogen-bonded Turntrans-60.9-18.6176.972.90000114.2C80 Q84C80-S82 PolarHBondContact O-N 2.82Å; C80-S82 PolarHBondContact SG-OG 3.23Å; S82-Q84 VanDerWaalsContact C-N 3.27Å; S82-Q84 PolarHBondContact O-N 3.27Å
83L89.6Confident85.9Confident7 Ų766.7 Ų66.74%0.03738%0.379CS..Hα-helixtrans-70.9-22.6174.2-70179.9000112.8C76 I77 C80 P81 D85 K86 F87 E101 L105C76-L83 HydrophobicContact CB-CD1 3.97Å; I77-L83 HydrophobicContact CG1-CB 4.4Å; C80-L83 HydrophobicContact CB-CD1 4.16Å; C80-L83 HydrophobicContact CB-CG 4.22Å; C80-L83 WeakPolarHBondContact O-CB 3.43Å; C80-L83 PolarHBondContact O-N 3.21Å; P81-L83 PolarHBondContact O-N 3.42Å; P81-L83 VanDerWaalsContact O-N 3.1Å; L83-D85 PolarHBondContact O-N 3.16Å; L83-K86 HydrophobicContact CD2-CD 4.1Å; L83-K86 PolarHBondContact O-N 3.39Å; L83-F87 HydrophobicContact CB-CD2 4.22Å; L83-F87 HydrophobicContact CB-CE2 3.83Å; L83-F87 HydrophobicContact CB-CZ 4.05Å; L83-F87 HydrophobicContact CD1-CE2 4.21Å; L83-F87 HydrophobicContact CD1-CZ 4.01Å; L83-F87 HydrophobicContact CD2-CE1 4.4Å; L83-F87 HydrophobicContact CD2-CZ 4.19Å; L83-F87 HydrophobicContact CG-CZ 4.33Å; L83-F87 WeakPolarHBondContact O-CB 3.1Å; L83-F87 VanDerWaalsContact O-CG 3.3Å; L83-F87 WeakPolarHBondContact O-CG 3.16Å; L83-F87 PolarHBondContact O-N 2.95Å; L83-E101 HydrophobicContact CD2-CB 4.41Å; L83-L105 HydrophobicContact CD1-CB 4.36Å; L83-L105 HydrophobicContact CD1-CD2 3.65Å; L83-L105 HydrophobicContact CD1-CG 4.48Å
84Q89.2Confident85.1Confident106 Ų10666 Ų6650%0.49538%0.379SS..Hα-helixtrans-60.2-46.8-177.8-17417117.700112I77 P81 S82 K86 S88I77-Q84 HydrophobicContact CD1-CB 4.46Å; I77-Q84 HydrophobicContact CG1-CB 4.46Å; I77-Q84 HydrophobicContact CG2-CB 3.99Å; I77-Q84 HydrophobicContact CG2-CG 4.48Å; P81-Q84 VanDerWaalsContact O-CB 3.27Å; P81-Q84 WeakPolarHBondContact O-CB 3.39Å; P81-Q84 PolarHBondContact O-N 3.17Å; S82-Q84 VanDerWaalsContact C-N 3.27Å; S82-Q84 PolarHBondContact O-N 3.27Å; Q84-K86 VanDerWaalsContact C-N 3.35Å; Q84-S88 VanDerWaalsContact O-CB 3.25Å; Q84-S88 WeakPolarHBondContact O-CB 3.31Å; Q84-S88 PolarHBondContact O-N 3.36Å; Q84-S88 PolarHBondContact O-OG 3.36Å
85D86.7Confident84.5Confident124 Ų12467.7 Ų67.766%0.66339%0.394SS*.Hα-helixtrans-67-40179.6-66.6-33.5000111.2L83 S88 S89L83-D85 PolarHBondContact O-N 3.16Å; D85-S88 PolarHBondContact O-N 2.97Å; D85-S89 PolarHBondContact O-N 2.94Å
86K85.8Confident84.2Confident92 Ų9273.3 Ų73.340%0.442%0.424SS..Hα-helixtrans-61.5-50.1176.8-69.6-179.6165.4-167.60111.7L83 Q84 S88 S89 L90 E101L83-K86 HydrophobicContact CD2-CD 4.1Å; L83-K86 PolarHBondContact O-N 3.39Å; Q84-K86 VanDerWaalsContact C-N 3.35Å; K86-S88 VanDerWaalsContact C-N 3.34Å; K86-S88 PolarHBondContact O-N 3.2Å; K86-S89 WeakPolarHBondContact O-CB 3.24Å; K86-S89 PolarHBondContact O-N 3.46Å; K86-L90 VanDerWaalsContact O-CD1 3.32Å; K86-L90 WeakPolarHBondContact O-CD1 3.38Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 2.93Å; K86-E101 IonicContact NZ-OE2 2.65Å; K86-E101 PolarHBondContact NZ-OE2 3.27Å
87F88.1Confident83.9Confident13 Ų1376.1 Ų76.16%0.05744%0.441CS..Hα-helixtrans-67.3-35.9179.2-63.5-20.9000112.3E73 I77 L83 S89 L90 K98 E101 M102E73-F87 HydrophobicContact CG-CD2 3.65Å; E73-F87 HydrophobicContact CG-CE2 3.95Å; E73-F87 WeakPolarHBondContact OE1-CB 3.4Å; E73-F87 WeakPolarHBondContact OE1-CD2 3.45Å; I77-F87 HydrophobicContact CD1-CD2 4.03Å; I77-F87 HydrophobicContact CG1-CD2 3.92Å; I77-F87 HydrophobicContact CG1-CE2 4.14Å; L83-F87 HydrophobicContact CB-CD2 4.22Å; L83-F87 HydrophobicContact CB-CE2 3.83Å; L83-F87 HydrophobicContact CB-CZ 4.05Å; L83-F87 HydrophobicContact CD1-CE2 4.21Å; L83-F87 HydrophobicContact CD1-CZ 4.01Å; L83-F87 HydrophobicContact CD2-CE1 4.4Å; L83-F87 HydrophobicContact CD2-CZ 4.19Å; L83-F87 HydrophobicContact CG-CZ 4.33Å; L83-F87 WeakPolarHBondContact O-CB 3.1Å; L83-F87 VanDerWaalsContact O-CG 3.3Å; L83-F87 WeakPolarHBondContact O-CG 3.16Å; L83-F87 PolarHBondContact O-N 2.95Å; F87-S89 PolarHBondContact O-N 3.25Å; F87-L90 HydrophobicContact CD1-CD1 4.32Å; F87-L90 PolarHBondContact O-N 2.92Å; F87-L90 VanDerWaalsContact O-N 3.08Å; F87-K98 HydrophobicContact CD1-CB 4.48Å; F87-K98 HydrophobicContact CD1-CG 3.82Å; F87-K98 HydrophobicContact CE1-CB 4.42Å; F87-K98 HydrophobicContact CE1-CG 3.73Å; F87-K98 HydrophobicContact CG-CG 4.3Å; F87-K98 HydrophobicContact CZ-CG 4.12Å; F87-E101 HydrophobicContact CE1-CB 3.83Å; F87-E101 HydrophobicContact CE1-CG 4.49Å; F87-E101 HydrophobicContact CZ-CB 4.38Å; F87-M102 HydrophobicContact CE2-CG 4.41Å; F87-M102 HydrophobicContact CZ-CG 3.74Å; F87-M102 HydrophobicContact CZ-SD 4.48Å
88S84.9Confident83.8Confident71 Ų7175.6 Ų75.650%0.49744%0.438SS..Hα-helixtrans-63.3-31.7175.3-62.10000112.7Q84 D85 K86 L90Q84-S88 VanDerWaalsContact O-CB 3.25Å; Q84-S88 WeakPolarHBondContact O-CB 3.31Å; Q84-S88 PolarHBondContact O-N 3.36Å; Q84-S88 PolarHBondContact O-OG 3.36Å; D85-S88 PolarHBondContact O-N 2.97Å; K86-S88 VanDerWaalsContact C-N 3.34Å; K86-S88 PolarHBondContact O-N 3.2Å; S88-L90 VanDerWaalsContact C-N 3.31Å
89S81.5Confident83.8Confident106 Ų10671.5 Ų71.574%0.74142%0.422SS*.Hα-helixtrans-73.6-17.9175.1-172.70000113.7D85 K86 F87 K91D85-S89 PolarHBondContact O-N 2.94Å; K86-S89 WeakPolarHBondContact O-CB 3.24Å; K86-S89 PolarHBondContact O-N 3.46Å; F87-S89 PolarHBondContact O-N 3.25Å; S89-K91 PolarHBondContact O-N 2.99Å
90L79.8Confident83.9Confident52 Ų5276.2 Ų76.227%0.27244%0.443SS..  trans-95.734.4-170.4-77.3161000113.4K86 F87 S88 G92 A94 V97K86-L90 VanDerWaalsContact O-CD1 3.32Å; K86-L90 WeakPolarHBondContact O-CD1 3.38Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 2.93Å; F87-L90 HydrophobicContact CD1-CD1 4.32Å; F87-L90 PolarHBondContact O-N 2.92Å; F87-L90 VanDerWaalsContact O-N 3.08Å; S88-L90 VanDerWaalsContact C-N 3.31Å; L90-G92 PolarHBondContact O-N 3.38Å; L90-A94 HydrophobicContact CB-CB 4.04Å; L90-A94 HydrophobicContact CD2-CB 3.44Å; L90-A94 VanDerWaalsContact CD2-CB 3.44Å; L90-A94 HydrophobicContact CG-CB 4.32Å; L90-V97 HydrophobicContact CD1-CG1 4.04Å; L90-V97 HydrophobicContact CD2-CB 4.07Å; L90-V97 HydrophobicContact CD2-CG1 3.8Å
91K69.6Low84Confident188 Ų18876.4 Ų76.482%0.81744%0.441SS*.THydrogen-bonded Turntrans-63.5129.9-176.3-81.2179.7179.1175.30113.2S89S89-K91 PolarHBondContact O-N 2.99Å
92G61.4Low84.2Confident79 Ų7972.1 Ų72.181%0.81441%0.413SS*.THydrogen-bonded Turntrans107.8-34.4154.800000117.2L90L90-G92 PolarHBondContact O-N 3.38Å
93T58.1Low84.7Confident137 Ų13768.9 Ų68.984%0.8439%0.39SS*.THydrogen-bonded Turntrans-152.65.4-172.6170000115.1
94A77.8Confident85Confident23 Ų2373.7 Ų73.719%0.1941%0.411CS..  trans-105.138.2-170.500000114L90 D96 V97 K98L90-A94 HydrophobicContact CB-CB 4.04Å; L90-A94 HydrophobicContact CD2-CB 3.44Å; L90-A94 VanDerWaalsContact CD2-CB 3.44Å; L90-A94 HydrophobicContact CG-CB 4.32Å; A94-D96 PolarHBondContact O-N 2.98Å; A94-V97 HydrophobicContact CB-CB 4.14Å; A94-V97 HydrophobicContact CB-CG2 4.14Å; A94-V97 PolarHBondContact O-N 3.35Å; A94-K98 PolarHBondContact O-N 3.39Å
95V84.2Confident85.3Confident77 Ų7769.5 Ų69.547%0.46739%0.392SS..Hα-helixtrans-58.4-39.7177.5173.40000110.9L69 V97 K98 I99L69-V95 HydrophobicContact CD2-CG1 3.74Å; V95-V97 PolarHBondContact O-N 2.98Å; V95-K98 WeakPolarHBondContact O-CB 3.15Å; V95-K98 PolarHBondContact O-N 3.49Å; V95-I99 HydrophobicContact CG1-CD1 3.74Å; V95-I99 HydrophobicContact CG1-CG1 4.42Å; V95-I99 WeakPolarHBondContact O-CD1 3.25Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.17Å; V95-I99 PolarHBondContact O-N 3.37Å
96D88.1Confident85.7Confident118 Ų11863.7 Ų63.763%0.63136%0.361SS*.Hα-helixtrans-64.4-41178.1-57.7-35.1000112.1A94 K98 I99 Q100A94-D96 PolarHBondContact O-N 2.98Å; D96-K98 VanDerWaalsContact C-N 3.34Å; D96-I99 PolarHBondContact O-N 2.92Å; D96-Q100 WeakPolarHBondContact O-CB 3.42Å; D96-Q100 PolarHBondContact O-N 2.93Å
97V88.9Confident86.2Confident60 Ų6063.3 Ų63.336%0.36436%0.36SS..Hα-helixtrans-66.5-39176.2-177.30000110.7L90 A94 V95 Q100 E101L90-V97 HydrophobicContact CD1-CG1 4.04Å; L90-V97 HydrophobicContact CD2-CB 4.07Å; L90-V97 HydrophobicContact CD2-CG1 3.8Å; A94-V97 HydrophobicContact CB-CB 4.14Å; A94-V97 HydrophobicContact CB-CG2 4.14Å; A94-V97 PolarHBondContact O-N 3.35Å; V95-V97 PolarHBondContact O-N 2.98Å; V97-Q100 WeakPolarHBondContact O-CB 3.09Å; V97-Q100 PolarHBondContact O-N 2.97Å; V97-E101 PolarHBondContact O-N 2.87Å
98K90.9Very high86.6Confident25 Ų2567.8 Ų67.811%0.10939%0.385CS..Hα-helixtrans-63-46.4175.3-175.1-179.7175-174.10111.1E73 F87 A94 V95 D96 Q100 E101 M102E73-K98 VanDerWaalsContact OE1-CE 3.23Å; E73-K98 WeakPolarHBondContact OE1-CE 3.49Å; E73-K98 IonicContact OE1-NZ 3.05Å; E73-K98 PolarHBondContact OE1-NZ 3.32Å; E73-K98 VanDerWaalsContact OE1-NZ 3.16Å; E73-K98 WeakPolarHBondContact OE2-CE 3.5Å; E73-K98 IonicContact OE2-NZ 3.02Å; E73-K98 PolarHBondContact OE2-NZ 3.35Å; F87-K98 HydrophobicContact CD1-CB 4.48Å; F87-K98 HydrophobicContact CD1-CG 3.82Å; F87-K98 HydrophobicContact CE1-CB 4.42Å; F87-K98 HydrophobicContact CE1-CG 3.73Å; F87-K98 HydrophobicContact CG-CG 4.3Å; F87-K98 HydrophobicContact CZ-CG 4.12Å; A94-K98 PolarHBondContact O-N 3.39Å; V95-K98 WeakPolarHBondContact O-CB 3.15Å; V95-K98 PolarHBondContact O-N 3.49Å; D96-K98 VanDerWaalsContact C-N 3.34Å; K98-Q100 VanDerWaalsContact C-N 3.29Å; K98-Q100 PolarHBondContact O-N 3.33Å; K98-E101 PolarHBondContact O-N 2.9Å; K98-M102 HydrophobicContact CG-SD 3.99Å; K98-M102 WeakPolarHBondContact O-CG 3.46Å; K98-M102 PolarHBondContact O-N 3.08Å
99I93.5Very high87Confident8 Ų866.7 Ų66.74%0.04137%0.373CS..Hα-helixtrans-58.1-44.2173.9-70.7159.1000110.1L69 V95 D96 E101 M102 V103 Q117 L120 M121L69-I99 HydrophobicContact CD1-CG1 4.19Å; V95-I99 HydrophobicContact CG1-CD1 3.74Å; V95-I99 HydrophobicContact CG1-CG1 4.42Å; V95-I99 WeakPolarHBondContact O-CD1 3.25Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.17Å; V95-I99 PolarHBondContact O-N 3.37Å; D96-I99 PolarHBondContact O-N 2.92Å; I99-E101 PolarHBondContact O-N 3.34Å; I99-M102 PolarHBondContact O-N 3.06Å; I99-V103 HydrophobicContact CG2-CG2 4.21Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.48Å; I99-V103 PolarHBondContact O-N 3.24Å; I99-Q117 HydrophobicContact CG2-CB 4.26Å; I99-Q117 HydrophobicContact CG2-CG 4.44Å; I99-L120 HydrophobicContact CG2-CB 3.96Å; I99-M121 HydrophobicContact CD1-CG 3.6Å; I99-M121 HydrophobicContact CD1-SD 4.19Å; I99-M121 HydrophobicContact CG1-CG 4.49Å; I99-M121 HydrophobicContact CG2-CG 4.47Å
100Q93.8Very high87.7Confident116 Ų11670 Ų7054%0.54238%0.379SS..Hα-helixtrans-60.5-44.1178.5-173.7-178.6-2.300112.6D96 V97 K98 M102 V103 K104D96-Q100 WeakPolarHBondContact O-CB 3.42Å; D96-Q100 PolarHBondContact O-N 2.93Å; V97-Q100 WeakPolarHBondContact O-CB 3.09Å; V97-Q100 PolarHBondContact O-N 2.97Å; K98-Q100 VanDerWaalsContact C-N 3.29Å; K98-Q100 PolarHBondContact O-N 3.33Å; Q100-M102 VanDerWaalsContact C-N 3.32Å; Q100-M102 PolarHBondContact O-N 2.9Å; Q100-V103 PolarHBondContact O-N 3.06Å; Q100-K104 WeakPolarHBondContact O-CB 3.46Å; Q100-K104 PolarHBondContact O-N 2.86Å
101E94.1Very high88.4Confident40 Ų4068.9 Ų68.919%0.18737%0.373CS..Hα-helixtrans-66.4-34.6175.9-71.8-68.1116.400111.9L83 K86 F87 V97 K98 I99 K104 L105L83-E101 HydrophobicContact CD2-CB 4.41Å; K86-E101 IonicContact NZ-OE2 2.65Å; K86-E101 PolarHBondContact NZ-OE2 3.27Å; F87-E101 HydrophobicContact CE1-CB 3.83Å; F87-E101 HydrophobicContact CE1-CG 4.49Å; F87-E101 HydrophobicContact CZ-CB 4.38Å; V97-E101 PolarHBondContact O-N 2.87Å; K98-E101 PolarHBondContact O-N 2.9Å; I99-E101 PolarHBondContact O-N 3.34Å; E101-K104 PolarHBondContact O-N 3.47Å; E101-L105 PolarHBondContact O-N 3.19Å
102M95.4Very high89.7Confident0 Ų060.6 Ų60.60%034%0.339CS..Hα-helixtrans-69.8-39.6175.4-65.5167.677.400112L69 L72 E73 C76 F87 K98 I99 Q100 K104 L105 G106 L120L69-M102 HydrophobicContact CD1-CE 4.33Å; L69-M102 HydrophobicContact CD1-SD 4.04Å; L72-M102 HydrophobicContact CB-CE 3.31Å; E73-M102 VanDerWaalsContact N-CE 3.35Å; C76-M102 HydrophobicContact CB-CG 4.45Å; F87-M102 HydrophobicContact CE2-CG 4.41Å; F87-M102 HydrophobicContact CZ-CG 3.74Å; F87-M102 HydrophobicContact CZ-SD 4.48Å; K98-M102 HydrophobicContact CG-SD 3.99Å; K98-M102 WeakPolarHBondContact O-CG 3.46Å; K98-M102 PolarHBondContact O-N 3.08Å; I99-M102 PolarHBondContact O-N 3.06Å; Q100-M102 VanDerWaalsContact C-N 3.32Å; Q100-M102 PolarHBondContact O-N 2.9Å; M102-K104 VanDerWaalsContact C-N 3.34Å; M102-L105 PolarHBondContact O-N 3.36Å; M102-G106 PolarHBondContact O-N 2.92Å; M102-L120 HydrophobicContact CB-CD1 4.06Å; M102-L120 HydrophobicContact CB-CG 4.21Å; M102-L120 HydrophobicContact CE-CD1 4.21Å
103V96.6Very high91.2Very high5 Ų560.1 Ų60.13%0.0332%0.32CS..Hα-helixtrans-63-42.9172.1170.80000110.2I99 Q100 L105 G106 H107 P114 Q117 L120I99-V103 HydrophobicContact CG2-CG2 4.21Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.48Å; I99-V103 PolarHBondContact O-N 3.24Å; Q100-V103 PolarHBondContact O-N 3.06Å; V103-L105 PolarHBondContact O-N 3.35Å; V103-G106 CarbonylContact O-C 3.6Å; V103-G106 PolarHBondContact O-N 2.65Å; V103-H107 WeakPolarHBondContact O-CB 3.34Å; V103-H107 PolarHBondContact O-N 2.69Å; V103-P114 WeakPolarHBondContact CG1-O 3.29Å; V103-Q117 HydrophobicContact CG2-CG 4.18Å; V103-L120 HydrophobicContact CG2-CB 4.29Å; V103-L120 HydrophobicContact CG2-CD2 3.71Å; V103-L120 HydrophobicContact CG2-CG 3.89Å
104K95.9Very high92.8Very high107 Ų10757 Ų5747%0.46530%0.302SS..Hα-helixtrans-59.4-48.2175.8-175.9-178.2177.6-178.70111.5Q100 E101 M102 G106 H107 D108Q100-K104 WeakPolarHBondContact O-CB 3.46Å; Q100-K104 PolarHBondContact O-N 2.86Å; E101-K104 PolarHBondContact O-N 3.47Å; M102-K104 VanDerWaalsContact C-N 3.34Å; K104-G106 VanDerWaalsContact C-N 3.34Å; K104-G106 PolarHBondContact O-N 2.8Å; K104-H107 PolarHBondContact O-N 2.91Å; K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.48Å
105L95.8Very high93.5Very high19 Ų1962.6 Ų62.610%0.09933%0.329CS..Hα-helixtrans-58.7-47.2174.4177.766.9000110.9C76 C80 L83 E101 M102 V103 H107 D108 L109C76-L105 HydrophobicContact CB-CD2 3.75Å; C80-L105 HydrophobicContact CB-CD1 3.88Å; C80-L105 HydrophobicContact CB-CD2 4.17Å; L83-L105 HydrophobicContact CD1-CB 4.36Å; L83-L105 HydrophobicContact CD1-CD2 3.65Å; L83-L105 HydrophobicContact CD1-CG 4.48Å; E101-L105 PolarHBondContact O-N 3.19Å; M102-L105 PolarHBondContact O-N 3.36Å; V103-L105 PolarHBondContact O-N 3.35Å; L105-H107 VanDerWaalsContact C-N 3.26Å; L105-H107 PolarHBondContact O-N 2.87Å; L105-D108 PolarHBondContact O-N 2.75Å; L105-L109 HydrophobicContact CD1-CD1 3.8Å; L105-L109 HydrophobicContact CD1-CG 4.05Å; L105-L109 HydrophobicContact CD2-CD1 4.39Å; L105-L109 HydrophobicContact CG-CD1 3.79Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.46Å; L105-L109 PolarHBondContact O-N 2.74Å
106G96.1Very high94Very high1 Ų159.9 Ų59.91%0.0131%0.312CS..Hα-helixtrans-58.1-39177.500000112.6M102 V103 K104 L109 M110 L111 C112M102-G106 PolarHBondContact O-N 2.92Å; V103-G106 CarbonylContact O-C 3.6Å; V103-G106 PolarHBondContact O-N 2.65Å; K104-G106 VanDerWaalsContact C-N 3.34Å; K104-G106 PolarHBondContact O-N 2.8Å; G106-L109 CarbonylContact O-C 3.58Å; G106-L109 PolarHBondContact O-N 3.34Å; G106-M110 PolarHBondContact O-N 3.1Å; G106-L111 PolarHBondContact O-N 3.31Å; G106-C112 VanDerWaalsContact C-SG 3.56Å; G106-C112 PolarHBondContact O-N 3.23Å
107H96.5Very high94.3Very high85 Ų8558.8 Ų58.839%0.39430%0.303SS..Hα-helixtrans-68.2-46.8175.8179.961000112.9V103 K104 L105 L109 M110 C112V103-H107 WeakPolarHBondContact O-CB 3.34Å; V103-H107 PolarHBondContact O-N 2.69Å; K104-H107 PolarHBondContact O-N 2.91Å; L105-H107 VanDerWaalsContact C-N 3.26Å; L105-H107 PolarHBondContact O-N 2.87Å; H107-L109 PolarHBondContact O-N 2.78Å; H107-M110 WeakPolarHBondContact O-CA 3.35Å; H107-M110 PolarHBondContact O-N 3.37Å; H107-C112 WeakPolarHBondContact CA-O 3.23Å; H107-C112 PolarHBondContact ND1-O 3.37Å
108D95.1Very high94.6Very high106 Ų10659.6 Ų59.657%0.56731%0.305SS*.Hα-helixtrans-60.5-31.3177.6-68.2-17.2000111.3K104 L105 M110K104-D108 VanDerWaalsContact O-CG 3.25Å; K104-D108 PolarHBondContact O-N 3.48Å; L105-D108 PolarHBondContact O-N 2.75Å; D108-M110 VanDerWaalsContact C-N 3.33Å
109L94.6Very high94.9Very high48 Ų4858.5 Ų58.525%0.25130%0.3SS..THydrogen-bonded Turntrans-87.12.7174.8-62.9177.2000114.1V79 L105 G106 H107 L111 L136 M139V79-L109 HydrophobicContact CG1-CD1 3.81Å; L105-L109 HydrophobicContact CD1-CD1 3.8Å; L105-L109 HydrophobicContact CD1-CG 4.05Å; L105-L109 HydrophobicContact CD2-CD1 4.39Å; L105-L109 HydrophobicContact CG-CD1 3.79Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.46Å; L105-L109 PolarHBondContact O-N 2.74Å; G106-L109 CarbonylContact O-C 3.58Å; G106-L109 PolarHBondContact O-N 3.34Å; H107-L109 PolarHBondContact O-N 2.78Å; L109-L111 HydrophobicContact CB-CD1 4.06Å; L109-L111 HydrophobicContact CB-CG 3.85Å; L109-L111 HydrophobicContact CD1-CD1 4.25Å; L109-L111 PolarHBondContact O-N 3.17Å; L109-L136 HydrophobicContact CD1-CD1 4.12Å; L109-M139 HydrophobicContact CB-CE 4.14Å; L109-M139 HydrophobicContact CD1-CE 4.25Å; L109-M139 HydrophobicContact CD1-SD 3.68Å; L109-M139 HydrophobicContact CD2-CE 3.94Å; L109-M139 HydrophobicContact CD2-SD 3.61Å; L109-M139 HydrophobicContact CG-CE 4.33Å; L109-M139 HydrophobicContact CG-SD 4.13Å
110M95.9Very high94.9Very high176 Ų17658.1 Ų58.187%0.86730%0.298SS*.THydrogen-bonded Turntrans58.728.9-177.3-53.9-175.7174.900114.8G106 H107 D108G106-M110 PolarHBondContact O-N 3.1Å; H107-M110 WeakPolarHBondContact O-CA 3.35Å; H107-M110 PolarHBondContact O-N 3.37Å; D108-M110 VanDerWaalsContact C-N 3.33Å
111L94.8Very high94.9Very high29 Ų2955.1 Ų55.115%0.15229%0.285CS..SBendtrans-94-25.1178.6-54.8-177.8000113G106 L109 F132 Q135 L136G106-L111 PolarHBondContact O-N 3.31Å; L109-L111 HydrophobicContact CB-CD1 4.06Å; L109-L111 HydrophobicContact CB-CG 3.85Å; L109-L111 HydrophobicContact CD1-CD1 4.25Å; L109-L111 PolarHBondContact O-N 3.17Å; L111-F132 HydrophobicContact CB-CD2 3.76Å; L111-F132 HydrophobicContact CB-CE2 3.77Å; L111-F132 HydrophobicContact CD1-CE2 4.32Å; L111-Q135 HydrophobicContact CD2-CB 3.7Å; L111-Q135 HydrophobicContact CD2-CG 4.46Å; L111-L136 HydrophobicContact CD1-CB 4.23Å; L111-L136 HydrophobicContact CD1-CD1 3.9Å
112C95.7Very high94.9Very high13 Ų1353.5 Ų53.59%0.08828%0.279CS..SBendtrans-148.9170.6177.170.50000112.3G106 H107 D116 L119 F132G106-C112 VanDerWaalsContact C-SG 3.56Å; G106-C112 PolarHBondContact O-N 3.23Å; H107-C112 WeakPolarHBondContact CA-O 3.23Å; H107-C112 PolarHBondContact ND1-O 3.37Å; C112-D116 HydrophobicContact CB-CB 3.92Å; C112-L119 HydrophobicContact CB-CD2 3.64Å; C112-F132 HydrophobicContact CB-CD2 4.35Å; C112-F132 HydrophobicContact CB-CE2 4.33Å
113T93.9Very high94.8Very high70 Ų7061.6 Ų61.643%0.42931%0.31SS..  trans-87.2162.6173.468.40000111.3D115 D116T113-D115 PolarHBondContact O-N 3Å; T113-D115 VanDerWaalsContact O-N 3.17Å; T113-D116 WeakPolarHBondContact CB-OD2 3.33Å; T113-D116 PolarHBondContact N-OD2 3Å; T113-D116 PolarHBondContact O-N 3.49Å; T113-D116 PolarHBondContact OG1-OD2 2.96Å
114P91.9Very high94.7Very high72 Ų7264.1 Ų64.147%0.46832%0.321SS..THydrogen-bonded Turntrans-61.4-22179.6-23.835000114.6V103V103-P114 WeakPolarHBondContact CG1-O 3.29Å
115D92.6Very high94.6Very high140 Ų14061.7 Ų61.775%0.74932%0.317SS*.THydrogen-bonded Turntrans-100.52.6-177.1-59.8-52.1000113T113 Q117T113-D115 PolarHBondContact O-N 3Å; T113-D115 VanDerWaalsContact O-N 3.17Å; D115-Q117 PolarHBondContact O-N 3.24Å
116D94.1Very high94.6Very high20 Ų2063 Ų6311%0.10733%0.327CS..THydrogen-bonded Turntrans-77.944.2-178.3-80.8-42.1000113.2C112 T113 D118 L119 K128C112-D116 HydrophobicContact CB-CB 3.92Å; T113-D116 WeakPolarHBondContact CB-OD2 3.33Å; T113-D116 PolarHBondContact N-OD2 3Å; T113-D116 PolarHBondContact O-N 3.49Å; T113-D116 PolarHBondContact OG1-OD2 2.96Å; D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.37Å; D116-L119 HydrophobicContact CB-CB 4.05Å; D116-L119 HydrophobicContact CB-CD2 4.36Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 PolarHBondContact O-N 3.34Å; D116-K128 IonicContact OD1-NZ 2.63Å; D116-K128 PolarHBondContact OD1-NZ 3.41Å; D116-K128 IonicContact OD2-NZ 2.74Å
117Q94.9Very high94.6Very high95 Ų9567 Ų6744%0.44435%0.345SS..Hα-helixtrans-63-35.6176.4-65.3174.220.400112I99 V103 D115 L119 L120 M121I99-Q117 HydrophobicContact CG2-CB 4.26Å; I99-Q117 HydrophobicContact CG2-CG 4.44Å; V103-Q117 HydrophobicContact CG2-CG 4.18Å; D115-Q117 PolarHBondContact O-N 3.24Å; Q117-L119 PolarHBondContact O-N 3.01Å; Q117-L120 PolarHBondContact O-N 2.92Å; Q117-L120 VanDerWaalsContact O-N 3.08Å; Q117-M121 WeakPolarHBondContact O-CG 3.24Å; Q117-M121 PolarHBondContact O-N 3Å
118D95.1Very high94.5Very high76 Ų7666 Ų6641%0.40634%0.34SS..Hα-helixtrans-63.1-26177.6-78-25.4000112.8D116 M121 G122 R123 E124D116-D118 VanDerWaalsContact C-N 3.27Å; D116-D118 PolarHBondContact O-N 3.37Å; D118-M121 VanDerWaalsContact OD1-CE 3.25Å; D118-M121 WeakPolarHBondContact OD1-CE 3.36Å; D118-G122 PolarHBondContact O-N 2.87Å; D118-G122 VanDerWaalsContact O-N 3.08Å; D118-R123 HydrophobicContact CB-CB 4.03Å; D118-R123 PolarHBondContact O-N 2.96Å; D118-E124 HydrophobicContact CB-CG 3.94Å; D118-E124 PolarHBondContact O-N 3.5Å
119L96Very high94.6Very high2 Ų261.1 Ų61.11%0.0131%0.314CS..Hα-helixtrans-64.1-47172.5-172.167.1000110.8R68 C112 D116 Q117 G122 E124 K128 Q129 F132R68-L119 PolarHBondContact NH2-O 3.44Å; C112-L119 HydrophobicContact CB-CD2 3.64Å; D116-L119 HydrophobicContact CB-CB 4.05Å; D116-L119 HydrophobicContact CB-CD2 4.36Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 PolarHBondContact O-N 3.34Å; Q117-L119 PolarHBondContact O-N 3.01Å; L119-G122 PolarHBondContact O-N 2.97Å; L119-E124 HydrophobicContact CB-CG 4.14Å; L119-E124 HydrophobicContact CD1-CB 4.11Å; L119-E124 HydrophobicContact CD1-CG 4.34Å; L119-K128 HydrophobicContact CD1-CB 4.25Å; L119-K128 HydrophobicContact CD1-CD 4.15Å; L119-K128 HydrophobicContact CD1-CG 3.76Å; L119-Q129 HydrophobicContact CD1-CB 4.42Å; L119-Q129 HydrophobicContact CD1-CG 4.03Å; L119-F132 HydrophobicContact CD1-CB 4.39Å; L119-F132 HydrophobicContact CD2-CB 3.98Å; L119-F132 HydrophobicContact CD2-CD2 3.68Å; L119-F132 HydrophobicContact CD2-CE2 4.34Å; L119-F132 HydrophobicContact CD2-CG 3.84Å; L119-F132 HydrophobicContact CG-CB 4.36Å; L119-F132 HydrophobicContact CG-CG 4.34Å
120L94.9Very high94.8Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-79.7-21.4-179.1-76.5-61.6000112.2R68 L72 I99 M102 V103 Q117 F132R68-L120 PolarHBondContact NH1-O 2.93Å; L72-L120 HydrophobicContact CD1-CD1 4.17Å; I99-L120 HydrophobicContact CG2-CB 3.96Å; M102-L120 HydrophobicContact CB-CD1 4.06Å; M102-L120 HydrophobicContact CB-CG 4.21Å; M102-L120 HydrophobicContact CE-CD1 4.21Å; V103-L120 HydrophobicContact CG2-CB 4.29Å; V103-L120 HydrophobicContact CG2-CD2 3.71Å; V103-L120 HydrophobicContact CG2-CG 3.89Å; Q117-L120 PolarHBondContact O-N 2.92Å; Q117-L120 VanDerWaalsContact O-N 3.08Å; L120-F132 HydrophobicContact CD1-CE1 3.77Å; L120-F132 HydrophobicContact CD1-CZ 3.89Å; L120-F132 HydrophobicContact CD2-CZ 4.29Å
121M93.3Very high94.8Very high53 Ų5356 Ų5626%0.26129%0.286SS..Hα-helixtrans-81.8-16.6172.5-73.9-153.5-72.400114.4P64 I99 Q117 D118 R123P64-M121 WeakPolarHBondContact CA-O 3.46Å; P64-M121 VanDerWaalsContact CB-O 3.26Å; P64-M121 WeakPolarHBondContact CB-O 3.06Å; P64-M121 WeakPolarHBondContact CG-O 3.19Å; I99-M121 HydrophobicContact CD1-CG 3.6Å; I99-M121 HydrophobicContact CD1-SD 4.19Å; I99-M121 HydrophobicContact CG1-CG 4.49Å; I99-M121 HydrophobicContact CG2-CG 4.47Å; Q117-M121 WeakPolarHBondContact O-CG 3.24Å; Q117-M121 PolarHBondContact O-N 3Å; D118-M121 VanDerWaalsContact OD1-CE 3.25Å; D118-M121 WeakPolarHBondContact OD1-CE 3.36Å; M121-R123 HydrophobicContact CB-CG 4.21Å
122G94.1Very high94.9Very high6 Ų654.9 Ų54.96%0.06228%0.28CS..THydrogen-bonded Turntrans82.329-17700000113.9P64 R68 D118 L119 Q129P64-G122 WeakPolarHBondContact CD-O 3.13Å; P64-G122 WeakPolarHBondContact CG-O 3.36Å; R68-G122 VanDerWaalsContact CZ-CA 3.43Å; D118-G122 PolarHBondContact O-N 2.87Å; D118-G122 VanDerWaalsContact O-N 3.08Å; L119-G122 PolarHBondContact O-N 2.97Å; G122-Q129 VanDerWaalsContact CA-OE1 3.29Å; G122-Q129 PolarHBondContact O-NE2 3.45Å
123R93.8Very high95.1Very high170 Ų17054.3 Ų54.364%0.64228%0.276SS*.  trans-104.3-14.6178.3-62.5-179.1-176.2-87.30.1113.1P64 D118 M121P64-R123 HydrophobicContact CG-CG 4.11Å; D118-R123 HydrophobicContact CB-CB 4.03Å; D118-R123 PolarHBondContact O-N 2.96Å; M121-R123 HydrophobicContact CB-CG 4.21Å
124E94.4Very high95.2Very high59 Ų5952.9 Ų52.928%0.27627%0.266SS..SBendtrans-71.5170.9174.6-90.1-69.5-172.100113.8D118 L119 K128 Q129D118-E124 HydrophobicContact CB-CG 3.94Å; D118-E124 PolarHBondContact O-N 3.5Å; L119-E124 HydrophobicContact CB-CG 4.14Å; L119-E124 HydrophobicContact CD1-CB 4.11Å; L119-E124 HydrophobicContact CD1-CG 4.34Å; E124-K128 HydrophobicContact CG-CD 4.38Å; E124-K128 IonicContact OE1-NZ 3.69Å; E124-K128 PolarHBondContact OE1-NZ 3.31Å; E124-Q129 HydrophobicContact CB-CG 4.02Å; E124-Q129 PolarHBondContact O-NE2 3.1Å
125C94Very high95.4Very high56 Ų5652.9 Ų52.938%0.37826%0.26SS..  trans-61.8137.817670.10000111.5Q127 K128 Q129C125-Q127 PolarHBondContact O-N 3.02Å; C125-Q127 VanDerWaalsContact O-N 3.12Å; C125-K128 PolarHBondContact O-N 3.15Å; C125-K128 VanDerWaalsContact O-N 3.09Å; C125-K128 WeakPolarHBondContact SG-CB 3.25Å; C125-Q129 PolarHBondContact O-N 3.49Å; C125-Q129 VanDerWaalsContact O-N 3.16Å
126P95.3Very high95.6Very high47 Ų4746.3 Ų46.331%0.30523%0.225SC..Hα-helixtrans-54-35.1-176.5-3137.1000114.4V27 L58 C62 K128 Q129 L130V27-P126 HydrophobicContact CG1-CB 3.55Å; L58-P126 HydrophobicContact CD1-CB 4.16Å; C62-P126 HydrophobicContact CB-CB 4.17Å; C62-P126 HydrophobicContact CB-CG 4.44Å; P126-K128 PolarHBondContact O-N 3.21Å; P126-Q129 PolarHBondContact O-N 3.35Å; P126-L130 WeakPolarHBondContact O-CB 3.4Å; P126-L130 WeakPolarHBondContact O-CG 3.25Å; P126-L130 PolarHBondContact O-N 3.08Å
127Q95.3Very high95.7Very high85 Ų8545.4 Ų45.440%0.39722%0.22SC..Hα-helixtrans-59-48.6178.1-62.484.6-11.800111.6V27 C125 L130 Q131V27-Q127 VanDerWaalsContact CG2-CD 3.48Å; V27-Q127 HydrophobicContact CG2-CG 3.57Å; C125-Q127 PolarHBondContact O-N 3.02Å; C125-Q127 VanDerWaalsContact O-N 3.12Å; Q127-L130 PolarHBondContact O-N 3.43Å; Q127-Q131 WeakPolarHBondContact O-CB 3.43Å; Q127-Q131 PolarHBondContact O-N 3.5Å
128K95.3Very high95.6Very high64 Ų6443.9 Ų43.928%0.27822%0.215SC..Hα-helixtrans-67.1-40.4-180-170.3-175.9170.8-173.40110.9D116 L119 E124 C125 P126 Q131 F132D116-K128 IonicContact OD1-NZ 2.63Å; D116-K128 PolarHBondContact OD1-NZ 3.41Å; D116-K128 IonicContact OD2-NZ 2.74Å; L119-K128 HydrophobicContact CD1-CB 4.25Å; L119-K128 HydrophobicContact CD1-CD 4.15Å; L119-K128 HydrophobicContact CD1-CG 3.76Å; E124-K128 HydrophobicContact CG-CD 4.38Å; E124-K128 IonicContact OE1-NZ 3.69Å; E124-K128 PolarHBondContact OE1-NZ 3.31Å; C125-K128 PolarHBondContact O-N 3.15Å; C125-K128 VanDerWaalsContact O-N 3.09Å; C125-K128 WeakPolarHBondContact SG-CB 3.25Å; P126-K128 PolarHBondContact O-N 3.21Å; K128-Q131 PolarHBondContact O-N 3.25Å; K128-F132 PolarHBondContact O-N 2.6Å
129Q97.3Very high95.4Very high3 Ų342.6 Ų42.61%0.01421%0.207CC..Hα-helixtrans-61.6-47.4176.3-64.6-169.650.400112.4C62 L119 G122 E124 C125 P126 F132 M133C62-Q129 VanDerWaalsContact CA-OE1 3.3Å; C62-Q129 PolarHBondContact O-NE2 3.02Å; C62-Q129 PolarHBondContact O-OE1 2.93Å; C62-Q129 VanDerWaalsContact O-OE1 3.09Å; L119-Q129 HydrophobicContact CD1-CB 4.42Å; L119-Q129 HydrophobicContact CD1-CG 4.03Å; G122-Q129 VanDerWaalsContact CA-OE1 3.29Å; G122-Q129 PolarHBondContact O-NE2 3.45Å; E124-Q129 HydrophobicContact CB-CG 4.02Å; E124-Q129 PolarHBondContact O-NE2 3.1Å; C125-Q129 PolarHBondContact O-N 3.49Å; C125-Q129 VanDerWaalsContact O-N 3.16Å; P126-Q129 PolarHBondContact O-N 3.35Å; Q129-F132 PolarHBondContact O-N 3.38Å; Q129-M133 WeakPolarHBondContact O-CG 3.32Å; Q129-M133 PolarHBondContact O-N 2.79Å; Q129-M133 VanDerWaalsContact O-N 3.08Å
130L97.8Very high95.1Very high3 Ų342.6 Ų42.62%0.01621%0.207CC..Hα-helixtrans-66.7-40.9179.8-68.8169.4000111.4V27 A30 A31 V34 L58 L61 P126 Q127 F132 M133 D134V27-L130 HydrophobicContact CG1-CD1 3.83Å; V27-L130 WeakPolarHBondContact O-CD1 3.21Å; A30-L130 HydrophobicContact CB-CD1 4.02Å; A31-L130 HydrophobicContact CB-CD1 3.91Å; A31-L130 HydrophobicContact CB-CD2 3.97Å; V34-L130 HydrophobicContact CB-CD2 4.35Å; V34-L130 HydrophobicContact CG2-CB 4.48Å; V34-L130 HydrophobicContact CG2-CD2 4.28Å; L58-L130 HydrophobicContact CD1-CD1 4.05Å; L61-L130 HydrophobicContact CB-CD2 4.17Å; L61-L130 HydrophobicContact CD1-CD2 4.04Å; P126-L130 WeakPolarHBondContact O-CB 3.4Å; P126-L130 WeakPolarHBondContact O-CG 3.25Å; P126-L130 PolarHBondContact O-N 3.08Å; Q127-L130 PolarHBondContact O-N 3.43Å; L130-F132 VanDerWaalsContact C-N 3.33Å; L130-F132 PolarHBondContact O-N 3.11Å; L130-M133 PolarHBondContact O-N 2.89Å; L130-D134 VanDerWaalsContact O-CB 3.26Å; L130-D134 WeakPolarHBondContact O-CB 3.12Å; L130-D134 PolarHBondContact O-N 2.74Å
131Q96.9Very high94.7Very high113 Ų11346.4 Ų46.453%0.52822%0.221SC..Hα-helixtrans-58.8-44.1174.9-176.9178.515.100111.9Q127 K128 D134 Q135Q127-Q131 WeakPolarHBondContact O-CB 3.43Å; Q127-Q131 PolarHBondContact O-N 3.5Å; K128-Q131 PolarHBondContact O-N 3.25Å; Q131-D134 PolarHBondContact O-N 3.35Å; Q131-Q135 WeakPolarHBondContact O-CB 3.5Å; Q131-Q135 VanDerWaalsContact O-CG 3.29Å; Q131-Q135 WeakPolarHBondContact O-CG 3.26Å; Q131-Q135 PolarHBondContact O-N 2.9Å
132F97.4Very high94.3Very high5 Ų547.7 Ų47.72%0.02224%0.235CC..Hα-helixtrans-60-48.7175.9173.1-91.6000111.9L72 L111 C112 L119 L120 K128 Q129 L130 D134 Q135 L136L72-F132 HydrophobicContact CD2-CD1 4.48Å; L72-F132 HydrophobicContact CD2-CE1 4.15Å; L111-F132 HydrophobicContact CB-CD2 3.76Å; L111-F132 HydrophobicContact CB-CE2 3.77Å; L111-F132 HydrophobicContact CD1-CE2 4.32Å; C112-F132 HydrophobicContact CB-CD2 4.35Å; C112-F132 HydrophobicContact CB-CE2 4.33Å; L119-F132 HydrophobicContact CD1-CB 4.39Å; L119-F132 HydrophobicContact CD2-CB 3.98Å; L119-F132 HydrophobicContact CD2-CD2 3.68Å; L119-F132 HydrophobicContact CD2-CE2 4.34Å; L119-F132 HydrophobicContact CD2-CG 3.84Å; L119-F132 HydrophobicContact CG-CB 4.36Å; L119-F132 HydrophobicContact CG-CG 4.34Å; L120-F132 HydrophobicContact CD1-CE1 3.77Å; L120-F132 HydrophobicContact CD1-CZ 3.89Å; L120-F132 HydrophobicContact CD2-CZ 4.29Å; K128-F132 PolarHBondContact O-N 2.6Å; Q129-F132 PolarHBondContact O-N 3.38Å; L130-F132 VanDerWaalsContact C-N 3.33Å; L130-F132 PolarHBondContact O-N 3.11Å; F132-D134 VanDerWaalsContact C-N 3.31Å; F132-D134 PolarHBondContact O-N 2.88Å; F132-Q135 PolarHBondContact O-N 2.89Å; F132-L136 HydrophobicContact CE1-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CD2 4.48Å; F132-L136 WeakPolarHBondContact O-CB 3.46Å; F132-L136 PolarHBondContact O-N 3.48Å
133M97.9Very high93.7Very high1 Ų151.1 Ų51.11%0.00525%0.252CS..Hα-helixtrans-62.7-39.9178.1-67.8-174.18000111.8V34 L38 L61 I71 L72 M75 Q129 L130 L136 L137V34-M133 HydrophobicContact CG1-CB 3.96Å; L38-M133 HydrophobicContact CD1-CE 4.3Å; L61-M133 HydrophobicContact CB-SD 4.34Å; L61-M133 HydrophobicContact CD2-CE 3.91Å; L61-M133 HydrophobicContact CD2-SD 4.35Å; I71-M133 HydrophobicContact CG2-CE 3.85Å; L72-M133 HydrophobicContact CD2-CE 3.91Å; L72-M133 HydrophobicContact CD2-CG 3.76Å; L72-M133 HydrophobicContact CD2-SD 4.14Å; L72-M133 HydrophobicContact CG-CE 4.44Å; M75-M133 HydrophobicContact CE-CB 4.11Å; M75-M133 HydrophobicContact CE-CE 4.47Å; M75-M133 HydrophobicContact CE-CG 4.5Å; M75-M133 VanDerWaalsContact CE-O 3.27Å; M75-M133 WeakPolarHBondContact CE-O 3.41Å; M75-M133 HydrophobicContact SD-CE 3.8Å; Q129-M133 WeakPolarHBondContact O-CG 3.32Å; Q129-M133 PolarHBondContact O-N 2.79Å; Q129-M133 VanDerWaalsContact O-N 3.08Å; L130-M133 PolarHBondContact O-N 2.89Å; M133-L136 PolarHBondContact O-N 2.87Å; M133-L137 VanDerWaalsContact O-CG 3.3Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.49Å
134D97.4Very high92.6Very high40 Ų4044.6 Ų44.621%0.21423%0.234CC..Hα-helixtrans-62.6-48.4179.2-162.961.2000112.1V34 K37 L130 Q131 F132 L136 L137 D138V34-D134 HydrophobicContact CG2-CB 3.98Å; K37-D134 WeakPolarHBondContact CD-OD1 3.43Å; K37-D134 WeakPolarHBondContact CE-OD1 3.41Å; K37-D134 IonicContact NZ-OD1 2.79Å; K37-D134 PolarHBondContact NZ-OD1 2.74Å; K37-D134 IonicContact NZ-OD2 3.69Å; K37-D134 PolarHBondContact NZ-OD2 3.43Å; L130-D134 VanDerWaalsContact O-CB 3.26Å; L130-D134 WeakPolarHBondContact O-CB 3.12Å; L130-D134 PolarHBondContact O-N 2.74Å; Q131-D134 PolarHBondContact O-N 3.35Å; F132-D134 VanDerWaalsContact C-N 3.31Å; F132-D134 PolarHBondContact O-N 2.88Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 3.44Å; D134-L137 PolarHBondContact O-N 3.32Å; D134-D138 PolarHBondContact O-N 3.37Å
135Q96.8Very high91.1Very high73 Ų7346.8 Ų46.834%0.34125%0.252SS..Hα-helixtrans-63.4-39.4177.2-70.6173.1-14.200111.9L111 Q131 F132 D138 M139L111-Q135 HydrophobicContact CD2-CB 3.7Å; L111-Q135 HydrophobicContact CD2-CG 4.46Å; Q131-Q135 WeakPolarHBondContact O-CB 3.5Å; Q131-Q135 VanDerWaalsContact O-CG 3.29Å; Q131-Q135 WeakPolarHBondContact O-CG 3.26Å; Q131-Q135 PolarHBondContact O-N 2.9Å; F132-Q135 PolarHBondContact O-N 2.89Å; Q135-D138 PolarHBondContact O-N 2.87Å; Q135-M139 PolarHBondContact O-N 3.43Å
136L95.6Very high89Confident2 Ų246.5 Ų46.51%0.0126%0.259CS..Hα-helixtrans-65.1-40176.2-167.363.5000111.2M75 V79 L109 L111 F132 M133 D134 M139 M140M75-L136 HydrophobicContact CB-CD2 3.62Å; M75-L136 HydrophobicContact CB-CG 4.22Å; M75-L136 HydrophobicContact CE-CB 3.84Å; M75-L136 HydrophobicContact CE-CD2 3.88Å; M75-L136 HydrophobicContact CE-CG 4.06Å; V79-L136 HydrophobicContact CB-CD1 4.35Å; V79-L136 HydrophobicContact CG2-CD1 3.76Å; V79-L136 HydrophobicContact CG2-CG 4.3Å; L109-L136 HydrophobicContact CD1-CD1 4.12Å; L111-L136 HydrophobicContact CD1-CB 4.23Å; L111-L136 HydrophobicContact CD1-CD1 3.9Å; F132-L136 HydrophobicContact CE1-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CD2 4.48Å; F132-L136 WeakPolarHBondContact O-CB 3.46Å; F132-L136 PolarHBondContact O-N 3.48Å; M133-L136 PolarHBondContact O-N 2.87Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 3.44Å; L136-M139 WeakPolarHBondContact O-CB 3.38Å; L136-M139 PolarHBondContact O-N 3.48Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 3.23Å
137L95.5Very high86.6Confident0 Ų047.9 Ų47.90%027%0.269CS..Hα-helixtrans-65.9-39.2174.8-74162.4000113V34 K37 L38 V41 M75 M133 D134 M139 M140 R141V34-L137 HydrophobicContact CG1-CD1 3.94Å; K37-L137 HydrophobicContact CB-CD1 3.9Å; L38-L137 HydrophobicContact CD2-CD1 4.23Å; L38-L137 HydrophobicContact CD2-CD2 3.74Å; L38-L137 HydrophobicContact CD2-CG 4.49Å; L38-L137 HydrophobicContact CG-CD1 3.92Å; L38-L137 HydrophobicContact CG-CD2 4.19Å; V41-L137 HydrophobicContact CG2-CD2 3.91Å; M75-L137 HydrophobicContact CE-CD1 4.18Å; M75-L137 HydrophobicContact CE-CD2 4.01Å; M75-L137 HydrophobicContact CE-CG 3.58Å; M133-L137 VanDerWaalsContact O-CG 3.3Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.49Å; D134-L137 PolarHBondContact O-N 3.32Å; L137-M139 VanDerWaalsContact C-N 3.29Å; L137-M139 PolarHBondContact O-N 2.91Å; L137-M140 HydrophobicContact CD2-SD 3.94Å; L137-M140 WeakPolarHBondContact O-CB 3.45Å; L137-M140 PolarHBondContact O-N 2.97Å; L137-R141 PolarHBondContact O-N 2.94Å
138D93.2Very high83.9Confident64 Ų6448.8 Ų48.834%0.34228%0.284SS..Hα-helixtrans-67.4-34.4177.4-74.8-8.5000111.2K37 D134 Q135 R141 S142K37-D138 IonicContact NZ-OD1 2.56Å; K37-D138 PolarHBondContact NZ-OD1 2.83Å; K37-D138 IonicContact NZ-OD2 3.85Å; K37-D138 PolarHBondContact NZ-OD2 3.16Å; D134-D138 PolarHBondContact O-N 3.37Å; Q135-D138 PolarHBondContact O-N 2.87Å; D138-R141 PolarHBondContact O-N 3.43Å; D138-R141 IonicContact OD1-NH1 3.99Å; D138-R141 PolarHBondContact OD1-NH1 3.41Å; D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 2.84Å; D138-S142 PolarHBondContact O-OG 3.28Å
139M90.6Very high81.3Confident49 Ų4950 Ų5024%0.24130%0.297CS..Hα-helixtrans-63.9-46169.4-169.9172.5-63.500111.6V79 L109 Q135 L136 L137 R141 S142 L143V79-M139 HydrophobicContact CG1-CG 4.36Å; V79-M139 HydrophobicContact CG1-SD 3.74Å; L109-M139 HydrophobicContact CB-CE 4.14Å; L109-M139 HydrophobicContact CD1-CE 4.25Å; L109-M139 HydrophobicContact CD1-SD 3.68Å; L109-M139 HydrophobicContact CD2-CE 3.94Å; L109-M139 HydrophobicContact CD2-SD 3.61Å; L109-M139 HydrophobicContact CG-CE 4.33Å; L109-M139 HydrophobicContact CG-SD 4.13Å; Q135-M139 PolarHBondContact O-N 3.43Å; L136-M139 WeakPolarHBondContact O-CB 3.38Å; L136-M139 PolarHBondContact O-N 3.48Å; L137-M139 VanDerWaalsContact C-N 3.29Å; L137-M139 PolarHBondContact O-N 2.91Å; M139-R141 VanDerWaalsContact C-N 3.29Å; M139-R141 PolarHBondContact O-N 3.46Å; M139-S142 WeakPolarHBondContact O-CB 3.3Å; M139-S142 PolarHBondContact O-N 2.83Å; M139-S142 VanDerWaalsContact O-N 3.11Å; M139-L143 HydrophobicContact CG-CD1 3.7Å; M139-L143 WeakPolarHBondContact O-CD1 3.45Å; M139-L143 PolarHBondContact O-N 3.02Å
140M90.6Very high78.5Confident2 Ų253.9 Ų53.91%0.0132%0.324CS..Hα-helixtrans-54.4-46.5175-67.6170.960.400111.3V41 W74 M75 W78 V79 L136 L137 S142 L143 A144V41-M140 HydrophobicContact CG2-CE 4.36Å; W74-M140 HydrophobicContact CE3-CE 4.36Å; W74-M140 HydrophobicContact CH2-CE 3.56Å; W74-M140 HydrophobicContact CZ2-CE 4.29Å; W74-M140 HydrophobicContact CZ3-CE 3.61Å; M75-M140 HydrophobicContact CB-SD 3.88Å; M75-M140 HydrophobicContact CG-SD 3.92Å; W78-M140 HydrophobicContact CB-CE 3.75Å; W78-M140 HydrophobicContact CB-CG 4.47Å; W78-M140 HydrophobicContact CB-SD 4.39Å; W78-M140 HydrophobicContact CD2-CB 4.19Å; W78-M140 HydrophobicContact CD2-CE 3.7Å; W78-M140 HydrophobicContact CD2-CG 4.08Å; W78-M140 HydrophobicContact CE3-CB 3.55Å; W78-M140 HydrophobicContact CE3-CE 4.15Å; W78-M140 HydrophobicContact CE3-CG 3.52Å; W78-M140 HydrophobicContact CG-CE 3.52Å; W78-M140 HydrophobicContact CG-CG 4.5Å; W78-M140 HydrophobicContact CH2-CB 4.4Å; W78-M140 WeakPolarHBondContact CH2-O 3.2Å; W78-M140 HydrophobicContact CZ3-CB 3.7Å; W78-M140 HydrophobicContact CZ3-CG 4.16Å; W78-M140 WeakPolarHBondContact CZ3-O 3.37Å; V79-M140 HydrophobicContact CG2-CG 3.47Å; V79-M140 VanDerWaalsContact CG2-CG 3.47Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 3.23Å; L137-M140 HydrophobicContact CD2-SD 3.94Å; L137-M140 WeakPolarHBondContact O-CB 3.45Å; L137-M140 PolarHBondContact O-N 2.97Å; M140-S142 PolarHBondContact O-N 3.33Å; M140-L143 PolarHBondContact O-N 2.75Å; M140-A144 WeakPolarHBondContact O-CB 3.33Å; M140-A144 PolarHBondContact O-N 3.47Å
141R87.1Confident75.8Confident80 Ų8059.7 Ų59.730%0.30237%0.365SS..Hα-helixtrans-64.4-38.6177.3-72.2-175.5-178.6118.84.1113.7K37 V41 L137 D138 M139 L143 A144 T145K37-R141 VanDerWaalsContact CD-NH1 3.28Å; K37-R141 VanDerWaalsContact CG-NH1 3.35Å; K37-R141 VanDerWaalsContact CG-NH2 3.26Å; K37-R141 PolarHBondContact O-NH2 3.37Å; V41-R141 HydrophobicContact CG1-CG 4.28Å; L137-R141 PolarHBondContact O-N 2.94Å; D138-R141 PolarHBondContact O-N 3.43Å; D138-R141 IonicContact OD1-NH1 3.99Å; D138-R141 PolarHBondContact OD1-NH1 3.41Å; M139-R141 VanDerWaalsContact C-N 3.29Å; M139-R141 PolarHBondContact O-N 3.46Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-A144 PolarHBondContact O-N 3.43Å; R141-T145 WeakPolarHBondContact O-CB 3.4Å; R141-T145 PolarHBondContact O-N 2.95Å; R141-T145 PolarHBondContact O-OG1 3.29Å
142S84.9Confident73.4Confident80 Ų8057.4 Ų57.456%0.55936%0.362SS*.Hα-helixtrans-62-44.4178.7-60.10000110.6D138 M139 M140 T145 G146D138-S142 WeakPolarHBondContact O-CB 3.37Å; D138-S142 PolarHBondContact O-N 2.84Å; D138-S142 PolarHBondContact O-OG 3.28Å; M139-S142 WeakPolarHBondContact O-CB 3.3Å; M139-S142 PolarHBondContact O-N 2.83Å; M139-S142 VanDerWaalsContact O-N 3.11Å; M140-S142 PolarHBondContact O-N 3.33Å; S142-T145 PolarHBondContact O-N 3.22Å; S142-G146 PolarHBondContact O-N 2.95Å; S142-G146 VanDerWaalsContact O-N 3.15Å
143L80.1Confident70.8Confident77 Ų7760 Ų6040%0.40338%0.376SS..Hα-helixtrans-65.4-41.2172.9-85.287000112W78 M139 M140 R141 T145 G146 C147W78-L143 HydrophobicContact CH2-CB 4.21Å; W78-L143 HydrophobicContact CZ3-CB 3.77Å; M139-L143 HydrophobicContact CG-CD1 3.7Å; M139-L143 WeakPolarHBondContact O-CD1 3.45Å; M139-L143 PolarHBondContact O-N 3.02Å; M140-L143 PolarHBondContact O-N 2.75Å; R141-L143 VanDerWaalsContact C-N 3.32Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.36Å; L143-G146 PolarHBondContact O-N 3.49Å; L143-C147 WeakPolarHBondContact O-CB 3.44Å; L143-C147 PolarHBondContact O-N 3.35Å; L143-C147 PolarHBondContact O-SG 2.89Å
144A72Confident68.5Low33 Ų3367.2 Ų67.227%0.27341%0.407SS..Hα-helixtrans-62.4-35.7177.900000112.7W78 M140 R141 C147 S148W78-A144 HydrophobicContact CH2-CB 3.68Å; W78-A144 HydrophobicContact CZ2-CB 4.08Å; M140-A144 WeakPolarHBondContact O-CB 3.33Å; M140-A144 PolarHBondContact O-N 3.47Å; R141-A144 PolarHBondContact O-N 3.43Å; A144-C147 CarbonylContact O-C 3.1Å; A144-C147 PolarHBondContact O-N 2.92Å; A144-S148 PolarHBondContact O-N 3.06Å; A144-S148 PolarHBondContact O-OG 3.48Å; A144-S148 VanDerWaalsContact O-OG 3.1Å
145T62.8Low66.3Low105 Ų10572.6 Ų72.664%0.64443%0.431SS*.Hα-helixtrans-72.5-36.7178.8-510000111R141 S142 L143 C147R141-T145 WeakPolarHBondContact O-CB 3.4Å; R141-T145 PolarHBondContact O-N 2.95Å; R141-T145 PolarHBondContact O-OG1 3.29Å; S142-T145 PolarHBondContact O-N 3.22Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.36Å; T145-C147 VanDerWaalsContact C-N 3.26Å; T145-C147 PolarHBondContact O-N 3.38Å
146G50.2Low64Low51 Ų5174.2 Ų74.253%0.52644%0.438SS..Hα-helixtrans-65.7-27.3168.800000113.5S142 L143S142-G146 PolarHBondContact O-N 2.95Å; S142-G146 VanDerWaalsContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 3.49Å
147C43.1Very low61.8Low76 Ų7678.5 Ų78.551%0.51446%0.461SS..Hα-helixtrans-92.7-10.6-178.8-69.40000115L143 A144 T145 T149 S150L143-C147 WeakPolarHBondContact O-CB 3.44Å; L143-C147 PolarHBondContact O-N 3.35Å; L143-C147 PolarHBondContact O-SG 2.89Å; A144-C147 CarbonylContact O-C 3.1Å; A144-C147 PolarHBondContact O-N 2.92Å; T145-C147 VanDerWaalsContact C-N 3.26Å; T145-C147 PolarHBondContact O-N 3.38Å; C147-T149 PolarHBondContact O-N 3.2Å; C147-S150 WeakPolarHBondContact O-CB 3.5Å; C147-S150 PolarHBondContact O-N 3.17Å; C147-S150 PolarHBondContact O-OG 3.48Å
148S39.8Very low60Low104 Ų10483.7 Ų83.773%0.72749%0.485SS*.THydrogen-bonded Turntrans-74.6-10179.8-720000114A144 S150A144-S148 PolarHBondContact O-N 3.06Å; A144-S148 PolarHBondContact O-OG 3.48Å; A144-S148 VanDerWaalsContact O-OG 3.1Å; S148-S150 PolarHBondContact O-N 3.06Å
149T39.5Very low58.6Low89 Ų8983.6 Ų83.655%0.54649%0.485SS..THydrogen-bonded Turntrans-81.87.5171.5-12.20000113.1C147 S151 S152 L153C147-T149 PolarHBondContact O-N 3.2Å; T149-S151 PolarHBondContact O-N 2.9Å; T149-S152 PolarHBondContact O-N 3.11Å; T149-L153 PolarHBondContact O-N 3.01Å
150S38.6Very low57.3Low84 Ų8483 Ų8359%0.58748%0.483SS*.THydrogen-bonded Turntrans-78.62.3-164.756.70000117.8C147 S148C147-S150 WeakPolarHBondContact O-CB 3.5Å; C147-S150 PolarHBondContact O-N 3.17Å; C147-S150 PolarHBondContact O-OG 3.48Å; S148-S150 PolarHBondContact O-N 3.06Å
151S42.2Very low56.4Low125 Ų12586.5 Ų86.587%0.87451%0.505SS*.THydrogen-bonded Turntrans-92.4-19.6166.184.10000113.8T149T149-S151 PolarHBondContact O-N 2.9Å
152S46.6Very low55.8Low65 Ų6589.2 Ų89.246%0.45552%0.521SS..THydrogen-bonded Turntrans-101.7-3.2176.9-1760000113T149 K154 H156T149-S152 PolarHBondContact O-N 3.11Å; S152-K154 VanDerWaalsContact C-N 3.33Å; S152-K154 PolarHBondContact O-N 2.92Å; S152-H156 WeakPolarHBondContact O-CB 3.3Å; S152-H156 PolarHBondContact O-N 3.03Å; S152-H156 VanDerWaalsContact O-N 3.11Å
153L43.2Very low55.5Low60 Ų6090.7 Ų90.731%0.31452%0.518SS..Hα-helixtrans-70.3-23.9-176.5-105161.2000112.8T149 L157T149-L153 PolarHBondContact O-N 3.01Å; L153-L157 HydrophobicContact CB-CD1 4.4Å; L153-L157 HydrophobicContact CD2-CD1 3.79Å; L153-L157 HydrophobicContact CD2-CD2 4Å; L153-L157 HydrophobicContact CD2-CG 3.57Å; L153-L157 WeakPolarHBondContact O-CA 3.36Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CD1 3.34Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.26Å
154K47.7Very low55.3Low153 Ų15391.3 Ų91.367%0.66552%0.521SS*.Hα-helixtrans-69.4-48.7178.1-169.2175.5179.8-1730111.9S152 L157 E158S152-K154 VanDerWaalsContact C-N 3.33Å; S152-K154 PolarHBondContact O-N 2.92Å; K154-L157 PolarHBondContact O-N 3.19Å; K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3Å
155E51.8Low55.8Low152 Ų15296.7 Ų96.771%0.7154%0.541SS*.Hα-helixtrans-68.7-39.2176.2-78.5-179.1160.900111.7D159E155-D159 WeakPolarHBondContact O-CB 3.21Å; E155-D159 PolarHBondContact O-N 3.41Å
156H48.9Very low56.7Low107 Ų10794.8 Ų94.850%0.49554%0.536SS..Hα-helixtrans-72.8-32.6176.7-171.6-86.5000112.6S152 T160S152-H156 WeakPolarHBondContact O-CB 3.3Å; S152-H156 PolarHBondContact O-N 3.03Å; S152-H156 VanDerWaalsContact O-N 3.11Å; H156-T160 WeakPolarHBondContact CE1-CG2 3.35Å; H156-T160 WeakPolarHBondContact O-CB 3.37Å; H156-T160 VanDerWaalsContact O-CG2 3.25Å; H156-T160 WeakPolarHBondContact O-CG2 3.44Å; H156-T160 PolarHBondContact O-N 3.28Å; H156-T160 PolarHBondContact O-OG1 3.32Å
157L49.9Very low58Low93 Ų9397.1 Ų97.149%0.48754%0.536SS..Hα-helixtrans-70-44.3172-74.9169.6000110.6L153 K154 T160 T161L153-L157 HydrophobicContact CB-CD1 4.4Å; L153-L157 HydrophobicContact CD2-CD1 3.79Å; L153-L157 HydrophobicContact CD2-CD2 4Å; L153-L157 HydrophobicContact CD2-CG 3.57Å; L153-L157 WeakPolarHBondContact O-CA 3.36Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CD1 3.34Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.26Å; K154-L157 PolarHBondContact O-N 3.19Å; L157-T160 WeakPolarHBondContact CA-OG1 3.43Å; L157-T160 PolarHBondContact O-N 2.9Å; L157-T160 PolarHBondContact O-OG1 3.35Å; L157-T161 WeakPolarHBondContact O-CA 3.32Å; L157-T161 VanDerWaalsContact O-CB 3.25Å; L157-T161 WeakPolarHBondContact O-CB 3.37Å; L157-T161 WeakPolarHBondContact O-CG2 3.37Å; L157-T161 PolarHBondContact O-N 3.5Å; L157-T161 PolarHBondContact O-OG1 3.46Å
158E57.5Low59.6Low108 Ų10898.2 Ų98.251%0.50554%0.536SS..Hα-helixtrans-60.4-48.3175.2-85.2169.6177.100110.7K154 T160 T161 E162K154-E158 WeakPolarHBondContact O-CB 3.3Å; K154-E158 PolarHBondContact O-N 3Å; E158-T160 PolarHBondContact O-N 2.85Å; E158-T161 VanDerWaalsContact CA-OG1 3.25Å; E158-T161 WeakPolarHBondContact CA-OG1 3.48Å; E158-T161 PolarHBondContact O-N 3.02Å; E158-T161 PolarHBondContact O-OG1 2.75Å; E158-E162 VanDerWaalsContact O-CB 3.31Å; E158-E162 WeakPolarHBondContact O-CB 3.32Å; E158-E162 PolarHBondContact O-N 3.05Å
159D64.2Low61.5Low63 Ų6394.8 Ų94.834%0.33752%0.517SS..Hα-helixtrans-65.3-38.3177.5-179.537.5000112.5E155 K163E155-D159 WeakPolarHBondContact O-CB 3.21Å; E155-D159 PolarHBondContact O-N 3.41Å; D159-K163 VanDerWaalsContact O-CB 3.24Å; D159-K163 WeakPolarHBondContact O-CB 3.34Å; D159-K163 WeakPolarHBondContact O-CD 3.05Å; D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 3Å; D159-K163 WeakPolarHBondContact OD1-CE 3.01Å; D159-K163 IonicContact OD1-NZ 2.77Å; D159-K163 PolarHBondContact OD1-NZ 2.93Å; D159-K163 IonicContact OD2-NZ 2.8Å; D159-K163 PolarHBondContact OD2-NZ 2.95Å
160T63.2Low63.4Low35 Ų3597.3 Ų97.322%0.21552%0.523CS..Hα-helixtrans-74.5-31.5173.151.60000112.9H156 L157 E158 N164H156-T160 WeakPolarHBondContact CE1-CG2 3.35Å; H156-T160 WeakPolarHBondContact O-CB 3.37Å; H156-T160 VanDerWaalsContact O-CG2 3.25Å; H156-T160 WeakPolarHBondContact O-CG2 3.44Å; H156-T160 PolarHBondContact O-N 3.28Å; H156-T160 PolarHBondContact O-OG1 3.32Å; L157-T160 WeakPolarHBondContact CA-OG1 3.43Å; L157-T160 PolarHBondContact O-N 2.9Å; L157-T160 PolarHBondContact O-OG1 3.35Å; E158-T160 PolarHBondContact O-N 2.85Å; T160-N164 WeakPolarHBondContact O-CB 3.43Å; T160-N164 PolarHBondContact O-N 2.75Å; T160-N164 PolarHBondContact O-ND2 2.9Å; T160-N164 VanDerWaalsContact O-ND2 3.1Å
161T71.6Confident65.3Low77 Ų7797.8 Ų97.847%0.47252%0.518SS..Hα-helixtrans-68.7-41.8173.252.80000110.6L157 E158 N164 E165L157-T161 WeakPolarHBondContact O-CA 3.32Å; L157-T161 VanDerWaalsContact O-CB 3.25Å; L157-T161 WeakPolarHBondContact O-CB 3.37Å; L157-T161 WeakPolarHBondContact O-CG2 3.37Å; L157-T161 PolarHBondContact O-N 3.5Å; L157-T161 PolarHBondContact O-OG1 3.46Å; E158-T161 VanDerWaalsContact CA-OG1 3.25Å; E158-T161 WeakPolarHBondContact CA-OG1 3.48Å; E158-T161 PolarHBondContact O-N 3.02Å; E158-T161 PolarHBondContact O-OG1 2.75Å; T161-N164 PolarHBondContact O-N 3.28Å; T161-E165 WeakPolarHBondContact O-CB 3.31Å; T161-E165 PolarHBondContact O-N 3.07Å
162E74.9Confident66.8Low137 Ų13796.2 Ų96.264%0.6450%0.499SS*.Hα-helixtrans-66.8-42.3176.6-170.3174.1-169.500110.6E158 E165 A166E158-E162 VanDerWaalsContact O-CB 3.31Å; E158-E162 WeakPolarHBondContact O-CB 3.32Å; E158-E162 PolarHBondContact O-N 3.05Å; E162-E165 PolarHBondContact O-N 3.05Å; E162-A166 VanDerWaalsContact O-CB 3.26Å; E162-A166 WeakPolarHBondContact O-CB 3.45Å; E162-A166 PolarHBondContact O-N 2.97Å
163K78.3Confident68.3Low111 Ų11197.8 Ų97.848%0.48351%0.51SS..Hα-helixtrans-64.7-41172.7-75.5167.7178.5155.90113D159 A166 L167D159-K163 VanDerWaalsContact O-CB 3.24Å; D159-K163 WeakPolarHBondContact O-CB 3.34Å; D159-K163 WeakPolarHBondContact O-CD 3.05Å; D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 3Å; D159-K163 WeakPolarHBondContact OD1-CE 3.01Å; D159-K163 IonicContact OD1-NZ 2.77Å; D159-K163 PolarHBondContact OD1-NZ 2.93Å; D159-K163 IonicContact OD2-NZ 2.8Å; D159-K163 PolarHBondContact OD2-NZ 2.95Å; K163-A166 PolarHBondContact O-N 3.26Å; K163-L167 WeakPolarHBondContact O-CB 3.34Å; K163-L167 PolarHBondContact O-N 3.09Å
164N75.2Confident69.8Low89 Ų8996.7 Ų96.748%0.47651%0.508SS..Hα-helixtrans-70.5-36.8177.8-73-21.3000111.2T160 T161 L167 L168T160-N164 WeakPolarHBondContact O-CB 3.43Å; T160-N164 PolarHBondContact O-N 2.75Å; T160-N164 PolarHBondContact O-ND2 2.9Å; T160-N164 VanDerWaalsContact O-ND2 3.1Å; T161-N164 PolarHBondContact O-N 3.28Å; N164-L167 PolarHBondContact O-N 2.91Å; N164-L168 VanDerWaalsContact O-CB 3.25Å; N164-L168 WeakPolarHBondContact O-CB 3.23Å; N164-L168 WeakPolarHBondContact O-CG 3.37Å; N164-L168 PolarHBondContact O-N 2.92Å
165E83.1Confident70.7Confident146 Ų14694.2 Ų94.268%0.68251%0.507SS*.Hα-helixtrans-68.6-39.6175-171.7171.4-170.100110.8T161 E162 L168 G169T161-E165 WeakPolarHBondContact O-CB 3.31Å; T161-E165 PolarHBondContact O-N 3.07Å; E162-E165 PolarHBondContact O-N 3.05Å; E165-L168 PolarHBondContact O-N 3.43Å; E165-G169 PolarHBondContact O-N 2.61Å
166A80.5Confident71.3Confident65 Ų6592.3 Ų92.354%0.53750%0.502SS..Hα-helixtrans-63.9-44.4171.600000112E162 K163 G169 E170E162-A166 VanDerWaalsContact O-CB 3.26Å; E162-A166 WeakPolarHBondContact O-CB 3.45Å; E162-A166 PolarHBondContact O-N 2.97Å; K163-A166 PolarHBondContact O-N 3.26Å; A166-G169 PolarHBondContact O-N 3.42Å; A166-E170 WeakPolarHBondContact O-CB 3.31Å; A166-E170 PolarHBondContact O-N 3.25Å
167L77.5Confident72.4Confident101 Ų10188.9 Ų88.953%0.52949%0.487SS..Hα-helixtrans-64.1-43.1175.3-99.6155.8000112.2K163 N164 G169 E170 L171K163-L167 WeakPolarHBondContact O-CB 3.34Å; K163-L167 PolarHBondContact O-N 3.09Å; N164-L167 PolarHBondContact O-N 2.91Å; L167-G169 VanDerWaalsContact C-N 3.33Å; L167-E170 PolarHBondContact O-N 3.28Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.21Å
168L78.4Confident73.2Confident99 Ų9991.8 Ų91.852%0.51849%0.492SS..Hα-helixtrans-65.2-40.2174.5-75.3169.8000110.4N164 E165 L171 L172N164-L168 VanDerWaalsContact O-CB 3.25Å; N164-L168 WeakPolarHBondContact O-CB 3.23Å; N164-L168 WeakPolarHBondContact O-CG 3.37Å; N164-L168 PolarHBondContact O-N 2.92Å; E165-L168 PolarHBondContact O-N 3.43Å; L168-L171 PolarHBondContact O-N 2.86Å; L168-L172 WeakPolarHBondContact O-CB 3.34Å; L168-L172 WeakPolarHBondContact O-CD1 3.47Å; L168-L172 WeakPolarHBondContact O-CG 3.29Å; L168-L172 PolarHBondContact O-N 3.32Å
169G78.9Confident73.5Confident32 Ų3289.5 Ų89.533%0.3349%0.491SS..Hα-helixtrans-58.5-46.1172.700000112E165 A166 L167 S173E165-G169 PolarHBondContact O-N 2.61Å; A166-G169 PolarHBondContact O-N 3.42Å; L167-G169 VanDerWaalsContact C-N 3.33Å; G169-S173 WeakPolarHBondContact O-CB 3.3Å; G169-S173 PolarHBondContact O-N 3.23Å; G169-S173 PolarHBondContact O-OG 3.39Å
170E80.2Confident73.4Confident142 Ų14292.7 Ų92.766%0.66451%0.507SS*.Hα-helixtrans-65.8-43.5176.5-170.2-179.4164.900111.9A166 L167 S173 S174A166-E170 WeakPolarHBondContact O-CB 3.31Å; A166-E170 PolarHBondContact O-N 3.25Å; L167-E170 PolarHBondContact O-N 3.28Å; E170-S173 PolarHBondContact O-N 2.75Å; E170-S174 PolarHBondContact O-N 3.41Å
171L77.3Confident73.4Confident93 Ų9396.5 Ų96.549%0.48753%0.525SS..Hα-helixtrans-66.4-41.6179.9-162.6114.3000111.7L167 L168 S174 L177L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 PolarHBondContact O-N 3.21Å; L168-L171 PolarHBondContact O-N 2.86Å; L171-S174 VanDerWaalsContact O-CB 3.32Å; L171-S174 WeakPolarHBondContact O-CB 3.28Å; L171-S174 PolarHBondContact O-N 2.91Å; L171-L177 HydrophobicContact CD2-CD1 3.68Å; L171-L177 HydrophobicContact CD2-CD2 4.39Å; L171-L177 HydrophobicContact CG-CD1 4.18Å; L171-L177 WeakPolarHBondContact O-CB 3.32Å; L171-L177 WeakPolarHBondContact O-CD2 3.35Å
172L74.5Confident72.7Confident93 Ų93100 Ų10049%0.48753%0.534SS..Hα-helixtrans-75.3-26.7177.1-66.6171.3000112.8L168 S174 L177 W178L168-L172 WeakPolarHBondContact O-CB 3.34Å; L168-L172 WeakPolarHBondContact O-CD1 3.47Å; L168-L172 WeakPolarHBondContact O-CG 3.29Å; L168-L172 PolarHBondContact O-N 3.32Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-L177 HydrophobicContact CD2-CD2 3.73Å; L172-W178 PolarHBondContact O-NE1 2.96Å
173S77.1Confident71.8Confident97 Ų9797.8 Ų97.868%0.67853%0.532SS*.Hα-helixtrans-81.4-15.2172.5-58.90000112.5G169 E170 P175G169-S173 WeakPolarHBondContact O-CB 3.3Å; G169-S173 PolarHBondContact O-N 3.23Å; G169-S173 PolarHBondContact O-OG 3.39Å; E170-S173 PolarHBondContact O-N 2.75Å; S173-P175 WeakPolarHBondContact O-CD 3.5Å
174S74.6Confident70.8Confident38 Ų38100.9 Ų100.927%0.26655%0.547SS..  trans-66.9121177.8-177.50000110.4E170 L171 L172 N176 L177E170-S174 PolarHBondContact O-N 3.41Å; L171-S174 VanDerWaalsContact O-CB 3.32Å; L171-S174 WeakPolarHBondContact O-CB 3.28Å; L171-S174 PolarHBondContact O-N 2.91Å; L172-S174 VanDerWaalsContact C-N 3.33Å; S174-N176 PolarHBondContact O-N 3.38Å; S174-N176 VanDerWaalsContact O-N 3.12Å; S174-L177 PolarHBondContact O-N 3.42Å; S174-L177 VanDerWaalsContact O-N 3.11Å
175P67.4Low69.7Low100 Ų100103 Ų10365%0.64956%0.559SS**Hα-helixtrans-62.5-21.9177.623.7-31.9000112.3S173 W178 A179S173-P175 WeakPolarHBondContact O-CD 3.5Å; P175-W178 PolarHBondContact O-N 3.43Å; P175-A179 PolarHBondContact O-N 3.29Å; P175-A179 VanDerWaalsContact O-N 3.1Å
176N64.6Low68.3Low113 Ų113102.8 Ų102.860%0.60456%0.558SS**Hα-helixtrans-70.2-32.3177.6-62-36000112.5S174 A179 I180S174-N176 PolarHBondContact O-N 3.38Å; S174-N176 VanDerWaalsContact O-N 3.12Å; N176-A179 PolarHBondContact O-N 3.39Å; N176-I180 WeakPolarHBondContact O-CD1 3.41Å; N176-I180 VanDerWaalsContact O-CG1 3.24Å; N176-I180 WeakPolarHBondContact O-CG1 3.32Å; N176-I180 PolarHBondContact O-N 3.15Å
177L71.3Confident67Low35 Ų35105.9 Ų105.918%0.18357%0.573CS.*Hα-helixtrans-65.9-44.6176.3-173.189.6000110.3L171 L172 S174 A179 I180 L181L171-L177 HydrophobicContact CD2-CD1 3.68Å; L171-L177 HydrophobicContact CD2-CD2 4.39Å; L171-L177 HydrophobicContact CG-CD1 4.18Å; L171-L177 WeakPolarHBondContact O-CB 3.32Å; L171-L177 WeakPolarHBondContact O-CD2 3.35Å; L172-L177 HydrophobicContact CD2-CD2 3.73Å; S174-L177 PolarHBondContact O-N 3.42Å; S174-L177 VanDerWaalsContact O-N 3.11Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.28Å; L177-I180 PolarHBondContact O-N 2.81Å; L177-I180 VanDerWaalsContact O-N 3.13Å; L177-L181 HydrophobicContact CD1-CD1 4.47Å; L177-L181 HydrophobicContact CD2-CD1 3.74Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.23Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 2.94Å
178W66.4Low65.8Low154 Ų154107.1 Ų107.158%0.58357%0.57SS**Hα-helixtrans-65.6-34.9177.2-72.1103.3000112.4L172 P175 I180 K182L172-W178 PolarHBondContact O-NE1 2.96Å; P175-W178 PolarHBondContact O-N 3.43Å; W178-I180 VanDerWaalsContact C-N 3.31Å; W178-I180 PolarHBondContact O-N 3.02Å; W178-K182 WeakPolarHBondContact O-CA 3.43Å; W178-K182 WeakPolarHBondContact O-CB 3.36Å; W178-K182 PolarHBondContact O-N 2.81Å
179A63.8Low64.7Low60 Ų60105.4 Ų105.450%0.49657%0.565SS.*Hα-helixtrans-65.9-30.817200000113.3P175 N176 L177 K182 P183P175-A179 PolarHBondContact O-N 3.29Å; P175-A179 VanDerWaalsContact O-N 3.1Å; N176-A179 PolarHBondContact O-N 3.39Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.28Å; A179-K182 CarbonylContact O-C 3.5Å; A179-P183 WeakPolarHBondContact O-CA 3.34Å
180I62.1Low63.6Low129 Ų129110.7 Ų110.766%0.66259%0.585SS**Hα-helixtrans-80.3-42.5175.9-67.5163.2000111.6N176 L177 W178 K182 P183N176-I180 WeakPolarHBondContact O-CD1 3.41Å; N176-I180 VanDerWaalsContact O-CG1 3.24Å; N176-I180 WeakPolarHBondContact O-CG1 3.32Å; N176-I180 PolarHBondContact O-N 3.15Å; L177-I180 PolarHBondContact O-N 2.81Å; L177-I180 VanDerWaalsContact O-N 3.13Å; W178-I180 VanDerWaalsContact C-N 3.31Å; W178-I180 PolarHBondContact O-N 3.02Å; I180-K182 VanDerWaalsContact C-N 3.32Å; I180-P183 WeakPolarHBondContact O-CD 3.45Å
181L62.8Low62.4Low116 Ų116109.7 Ų109.761%0.60758%0.584SS**Hα-helixtrans-74.6-25.5-179.4-70176.2000112.4L177L177-L181 HydrophobicContact CD1-CD1 4.47Å; L177-L181 HydrophobicContact CD2-CD1 3.74Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.23Å; L177-L181 WeakPolarHBondContact O-CB 3.25Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 2.94Å
182K57.3Low61Low151 Ų151109.5 Ų109.566%0.65758%0.582SS**SBendtrans-131.573176-155.1-177.1-174.2-168.40108.5W178 A179 I180 E184W178-K182 WeakPolarHBondContact O-CA 3.43Å; W178-K182 WeakPolarHBondContact O-CB 3.36Å; W178-K182 PolarHBondContact O-N 2.81Å; A179-K182 CarbonylContact O-C 3.5Å; I180-K182 VanDerWaalsContact C-N 3.32Å; K182-E184 PolarHBondContact O-N 3.49Å
183P56Low60.1Low90 Ų90109.4 Ų109.458%0.58458%0.579SS**  trans-61.5113175.425.8-30.2000107.2A179 I180 N185A179-P183 WeakPolarHBondContact O-CA 3.34Å; I180-P183 WeakPolarHBondContact O-CD 3.45Å; P183-N185 PolarHBondContact O-N 2.7Å
184E56.8Low59.1Low175 Ų175108.5 Ų108.582%0.81857%0.573SS**SBendtrans-7515.4-176-138169.9-149.900112.7K182K182-E184 PolarHBondContact O-N 3.49Å
185N53.5Low58.1Low134 Ų134110.5 Ų110.572%0.71759%0.587SS**SBendtrans-139.3124.6-179.8-69.5-72.8000110P183P183-N185 PolarHBondContact O-N 2.7Å
186E54Low57.3Low141 Ų141111 Ų11166%0.65958%0.584SS**  trans-49.1140.2172.5-71.1-171155.600110.4W188E186-W188 VanDerWaalsContact CB-CD1 3.47Å; E186-W188 PolarHBondContact O-N 3.31Å; E186-W188 PolarHBondContact OE2-NE1 2.85Å
187P52.2Low56.7Low131 Ų131111.2 Ų111.285%0.85159%0.585SS**  trans-77.561.4-172.134.5-36.1000110.6
188W52.5Low55.6Low127 Ų127118.4 Ų118.448%0.48161%0.614SS.*  trans-86.8134.8171.6-64.7103.6000109.6E186 M192 Q193E186-W188 VanDerWaalsContact CB-CD1 3.47Å; E186-W188 PolarHBondContact O-N 3.31Å; E186-W188 PolarHBondContact OE2-NE1 2.85Å; W188-M192 HydrophobicContact CB-CB 4.46Å; W188-M192 HydrophobicContact CE3-SD 3.8Å; W188-M192 HydrophobicContact CZ3-SD 4.2Å; W188-Q193 PolarHBondContact O-NE2 2.9Å
189P54.5Low54.6Low63 Ų63118.8 Ų118.841%0.40962%0.623SS.*  trans-50.9143.3171.9-24.233.1000111.6D191 M192 Q193P189-D191 WeakPolarHBondContact CB-OD1 3.32Å; P189-D191 PolarHBondContact O-N 3.31Å; P189-M192 PolarHBondContact O-N 2.87Å; P189-Q193 PolarHBondContact O-N 2.87Å
190L56.2Low53.7Low143 Ų143120.3 Ų120.375%0.74963%0.629SS**Hα-helixtrans-52.4-28.5-177.3-86.8152.5000113.4M192 Q193L190-M192 VanDerWaalsContact C-N 3.32Å; L190-M192 PolarHBondContact O-N 3.47Å; L190-Q193 PolarHBondContact O-N 3.49Å
191D56.4Low52.8Low121 Ų121121 Ų12165%0.64763%0.633SS**Hα-helixtrans-70.7-17.9176.638.2-54.1000114.4P189P189-D191 WeakPolarHBondContact CB-OD1 3.32Å; P189-D191 PolarHBondContact O-N 3.31Å
192M47.2Very low52.1Low89 Ų89122.5 Ų122.544%0.43864%0.642SS.*Hα-helixtrans-97.6-23.2172.6-66.6-166.8174.300113W188 P189 L190 S194 S195 L196W188-M192 HydrophobicContact CB-CB 4.46Å; W188-M192 HydrophobicContact CE3-SD 3.8Å; W188-M192 HydrophobicContact CZ3-SD 4.2Å; P189-M192 PolarHBondContact O-N 2.87Å; L190-M192 VanDerWaalsContact C-N 3.32Å; L190-M192 PolarHBondContact O-N 3.47Å; M192-S194 PolarHBondContact O-N 3.26Å; M192-S195 WeakPolarHBondContact O-CB 3.34Å; M192-S195 PolarHBondContact O-N 2.86Å; M192-L196 PolarHBondContact O-N 2.92Å
193Q56.2Low51.5Low91 Ų91122.3 Ų122.343%0.42565%0.648SS.*Hα-helixtrans-67.9-34.3-177.1-64.3-175.921.900112.9W188 P189 L190 S195 L196 N197W188-Q193 PolarHBondContact O-NE2 2.9Å; P189-Q193 PolarHBondContact O-N 2.87Å; L190-Q193 PolarHBondContact O-N 3.49Å; Q193-S195 PolarHBondContact O-N 3.37Å; Q193-L196 PolarHBondContact O-N 2.92Å; Q193-N197 WeakPolarHBondContact O-CB 3.42Å; Q193-N197 PolarHBondContact O-N 3.34Å; Q193-N197 VanDerWaalsContact O-N 3.08Å
194S55.4Low50.8Low78 Ų78123.3 Ų123.355%0.54565%0.654SS.*Hα-helixtrans-64.6-23176.457.40000113.6M192M192-S194 PolarHBondContact O-N 3.26Å
195S52.9Low50.1Low80 Ų80125 Ų12556%0.55966%0.659SS**Hα-helixtrans-86.9-36.1-177.5-48.10000111.6M192 Q193M192-S195 WeakPolarHBondContact O-CB 3.34Å; M192-S195 PolarHBondContact O-N 2.86Å; Q193-S195 PolarHBondContact O-N 3.37Å
196L51.5Low49.4Very low111 Ų111123.5 Ų123.558%0.58167%0.665SS**Hα-helixtrans-78.2-39.1177.5-91.1114.6000112.9M192 Q193 K198 Q199 C200M192-L196 PolarHBondContact O-N 2.92Å; Q193-L196 PolarHBondContact O-N 2.92Å; L196-K198 PolarHBondContact O-N 3.45Å; L196-Q199 PolarHBondContact O-N 3.24Å; L196-Q199 VanDerWaalsContact O-N 3.09Å; L196-C200 PolarHBondContact O-N 2.92Å
197N51.3Low48.7Very low117 Ų117119.3 Ų119.363%0.62666%0.66SS**Hα-helixtrans-68.3-24.9-176.1-136.821.8000112.7Q193 Q199Q193-N197 WeakPolarHBondContact O-CB 3.42Å; Q193-N197 PolarHBondContact O-N 3.34Å; Q193-N197 VanDerWaalsContact O-N 3.08Å; N197-Q199 VanDerWaalsContact C-N 3.33Å
198K49.3Very low48.6Very low185 Ų185119.8 Ų119.880%0.80466%0.663SS**Hα-helixtrans-74.3-18174-99.1179.1177.3175.80114.5L196L196-K198 PolarHBondContact O-N 3.45Å
199Q45Very low48.3Very low163 Ų163117.5 Ų117.576%0.76267%0.666SS**Hα-helixtrans-94.8-15.5178.6-107.3-174.419.200113.1L196 N197L196-Q199 PolarHBondContact O-N 3.24Å; L196-Q199 VanDerWaalsContact O-N 3.09Å; N197-Q199 VanDerWaalsContact C-N 3.33Å
200C44.3Very low47.9Very low92 Ų92119.1 Ų119.162%0.62269%0.685SS**Hα-helixtrans-86-25.5-169.4-153.60000113.8L196L196-C200 PolarHBondContact O-N 2.92Å
201D44.2Very low47.5Very low142 Ų142120.9 Ų120.976%0.75969%0.69SS**THydrogen-bonded Turntrans-82.8-11.1-174.2-73.6-30000114.6
202D48.5Very low47.5Very low148 Ų148117.3 Ų117.379%0.79167%0.674SS**THydrogen-bonded Turntrans-114.27.2-175.2-83.4-30.9000115.1P204D202-P204 WeakPolarHBondContact O-CD 3.42Å
203L43.2Very low47.8Very low147 Ų147119.6 Ų119.677%0.7768%0.684SS**  trans-96.7116.6-179.7-159.666.7000112.5K205L203-K205 PolarHBondContact O-N 3.37Å
204P42.1Very low48Very low112 Ų112117.6 Ų117.673%0.72769%0.688SS**  trans-63.6135174.8-17.730.9000111.2D202 A206D202-P204 WeakPolarHBondContact O-CD 3.42Å; P204-A206 PolarHBondContact O-N 2.91Å
205K41.5Very low48.6Very low209 Ų209120.3 Ų120.391%0.90969%0.692SS**  trans-27.7123.7169.2-167.4169.8-175.9170.90113.3L203 G207L203-K205 PolarHBondContact O-N 3.37Å; K205-G207 PolarHBondContact O-N 3.35Å
206A38.3Very low49.5Very low103 Ų103122.5 Ų122.585%0.85169%0.691SS**  trans-43.4114.1-17700000114.2P204P204-A206 PolarHBondContact O-N 2.91Å
207G41Very low50.4Low54 Ų54121.8 Ų121.856%0.55769%0.692SS**  trans-94.8171.1157.500000111.3K205 S209K205-G207 PolarHBondContact O-N 3.35Å; G207-S209 PolarHBondContact O-N 3.2Å
208P49.3Very low51.8Low140 Ų140118.7 Ų118.791%0.90968%0.682SS**  trans-72.992.2-171.231.1-33.2000110.6
209S46.6Very low53.4Low79 Ų79112.7 Ų112.755%0.55266%0.659SS**  trans-107.711.9-175.9-173.70000114.5G207 Q211 S212G207-S209 PolarHBondContact O-N 3.2Å; S209-Q211 PolarHBondContact O-N 2.89Å; S209-S212 PolarHBondContact O-N 2.9Å
210A46.5Very low55.3Low98 Ų98109.9 Ų109.981%0.8165%0.648SS**THydrogen-bonded Turntrans-72.4-8.6179.300000114.3
211Q47.7Very low57.2Low180 Ų180108.2 Ų108.284%0.84164%0.641SS**THydrogen-bonded Turntrans-92.5-20.3178.9-120.6170.3-0.400113.7S209S209-Q211 PolarHBondContact O-N 2.89Å
212S55.5Low59.3Low45 Ų45108.4 Ų108.432%0.31563%0.631SS.*Hα-helixtrans-83.7-28.2-174.1-178.40000113.9S209 K216S209-S212 PolarHBondContact O-N 2.9Å; S212-K216 WeakPolarHBondContact O-CG 3.27Å; S212-K216 PolarHBondContact O-N 3.1Å; S212-K216 WeakPolarHBondContact OG-CE 3.07Å
213E52.9Low61.2Low137 Ų137107.5 Ų107.564%0.6462%0.622SS**Hα-helixtrans-75-37.1-177.8-74.5-175.1149.600112.9E215 K216 V217E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 3.3Å; E213-K216 PolarHBondContact O-N 3.46Å; E213-V217 VanDerWaalsContact O-CG2 3.29Å; E213-V217 WeakPolarHBondContact O-CG2 3.42Å; E213-V217 PolarHBondContact O-N 3.4Å
214G61.2Low63.4Low50 Ų50106.1 Ų106.152%0.51562%0.615SS.*Hα-helixtrans-63.4-37.7177.700000113.2A218G214-A218 WeakPolarHBondContact O-CB 3.47Å; G214-A218 PolarHBondContact O-N 2.88Å
215E68Low65.6Low134 Ų134107 Ų10763%0.62661%0.609SS**Hα-helixtrans-69-41.8176.7-168.6170-161.900111.5E213 V217 A218 D219E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 3.3Å; E215-V217 PolarHBondContact O-N 3.02Å; E215-A218 PolarHBondContact O-N 3.02Å; E215-D219 PolarHBondContact O-N 2.9Å
216K71.3Confident68Low126 Ų126102.3 Ų102.355%0.54859%0.591SS.*Hα-helixtrans-63.3-39.7174.6-71174.8-174.9176.20112.7S212 E213 D219 L220S212-K216 WeakPolarHBondContact O-CG 3.27Å; S212-K216 PolarHBondContact O-N 3.1Å; S212-K216 WeakPolarHBondContact OG-CE 3.07Å; E213-K216 PolarHBondContact O-N 3.46Å; K216-D219 PolarHBondContact O-N 2.93Å; K216-L220 WeakPolarHBondContact O-CB 3.27Å; K216-L220 PolarHBondContact O-N 2.79Å
217V71.6Confident70.1Confident97 Ų97100 Ų10059%0.58857%0.568SS**Hα-helixtrans-66.8-39.2176172.30000110.7E213 E215 L220 A221E213-V217 VanDerWaalsContact O-CG2 3.29Å; E213-V217 WeakPolarHBondContact O-CG2 3.42Å; E213-V217 PolarHBondContact O-N 3.4Å; E215-V217 PolarHBondContact O-N 3.02Å; V217-L220 PolarHBondContact O-N 2.96Å; V217-A221 WeakPolarHBondContact O-CB 3.45Å; V217-A221 PolarHBondContact O-N 2.63Å
218A80.9Confident72.1Confident51 Ų5199.4 Ų99.442%0.42156%0.558SS.*Hα-helixtrans-66.7-38.2175.500000112.5G214 E215 A221 R222G214-A218 WeakPolarHBondContact O-CB 3.47Å; G214-A218 PolarHBondContact O-N 2.88Å; E215-A218 PolarHBondContact O-N 3.02Å; A218-A221 PolarHBondContact O-N 3.39Å; A218-R222 PolarHBondContact O-N 2.93Å
219D82.8Confident74Confident59 Ų5996.1 Ų96.132%0.31654%0.536SS..Hα-helixtrans-64.6-45173.5-80.2-27.6000112.2E215 K216 R222 Q223E215-D219 PolarHBondContact O-N 2.9Å; K216-D219 PolarHBondContact O-N 2.93Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 3.31Å; D219-R222 IonicContact OD1-CZ 3.12Å; D219-R222 IonicContact OD1-NH1 3.16Å; D219-R222 PolarHBondContact OD1-NH1 3.37Å; D219-R222 IonicContact OD1-NH2 2.79Å; D219-R222 PolarHBondContact OD1-NH2 3.04Å; D219-Q223 PolarHBondContact O-N 3.31Å
220L83.1Confident75.9Confident105 Ų10598.4 Ų98.455%0.5554%0.535SS..Hα-helixtrans-61.7-42.9175-91.2152.3000111.7K216 V217 R222 Q223 L224K216-L220 WeakPolarHBondContact O-CB 3.27Å; K216-L220 PolarHBondContact O-N 2.79Å; V217-L220 PolarHBondContact O-N 2.96Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.47Å; L220-Q223 PolarHBondContact O-N 3.31Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 PolarHBondContact O-N 3.18Å
221A84.2Confident77.5Confident56 Ų5699.3 Ų99.346%0.46353%0.526SS..Hα-helixtrans-61.9-40.1175.900000111.7V217 A218 L224 Q225V217-A221 WeakPolarHBondContact O-CB 3.45Å; V217-A221 PolarHBondContact O-N 2.63Å; A218-A221 PolarHBondContact O-N 3.39Å; A221-L224 PolarHBondContact O-N 2.61Å; A221-Q225 WeakPolarHBondContact O-CB 2.95Å; A221-Q225 PolarHBondContact O-N 2.68Å
222R89.4Confident79Confident146 Ų14696 Ų9655%0.55151%0.511SS*.Hα-helixtrans-65-44.8175.7-160.6-168.9-44.7114.39.6111.5A218 D219 L220 L224 Q225 E226A218-R222 PolarHBondContact O-N 2.93Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 3.31Å; D219-R222 IonicContact OD1-CZ 3.12Å; D219-R222 IonicContact OD1-NH1 3.16Å; D219-R222 PolarHBondContact OD1-NH1 3.37Å; D219-R222 IonicContact OD1-NH2 2.79Å; D219-R222 PolarHBondContact OD1-NH2 3.04Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.47Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-L224 PolarHBondContact O-N 3.03Å; R222-Q225 PolarHBondContact O-N 3.45Å; R222-E226 WeakPolarHBondContact O-CB 2.97Å; R222-E226 PolarHBondContact O-N 3.48Å
223Q88.4Confident80.4Confident129 Ų12997.3 Ų97.360%0.60352%0.517SS*.Hα-helixtrans-62.6-40.3176.2-76.8-175.22.600112.2D219 L220 E226 S227D219-Q223 PolarHBondContact O-N 3.31Å; L220-Q223 PolarHBondContact O-N 3.31Å; Q223-E226 PolarHBondContact O-N 3.24Å; Q223-S227 WeakPolarHBondContact O-CB 3.1Å; Q223-S227 PolarHBondContact O-N 2.93Å; Q223-S227 PolarHBondContact O-OG 2.61Å
224L88.6Confident81.6Confident118 Ų11895.6 Ų95.662%0.61851%0.512SS*.Hα-helixtrans-61.8-47175.2-116158.3000110.9L220 A221 R222 E226 S227 A228L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 PolarHBondContact O-N 3.18Å; A221-L224 PolarHBondContact O-N 2.61Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-L224 PolarHBondContact O-N 3.03Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 3.41Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 PolarHBondContact O-OG 2.75Å; L224-A228 WeakPolarHBondContact O-CB 3.2Å; L224-A228 PolarHBondContact O-N 3.25Å
225Q88.1Confident82.3Confident132 Ų132100.5 Ų100.562%0.61751%0.514SS*.Hα-helixtrans-60.9-42.3177.2-166.568.531.800111.8A221 R222 A228 T229A221-Q225 WeakPolarHBondContact O-CB 2.95Å; A221-Q225 PolarHBondContact O-N 2.68Å; R222-Q225 PolarHBondContact O-N 3.45Å; Q225-A228 PolarHBondContact O-N 3.32Å; Q225-T229 WeakPolarHBondContact O-CG2 3.49Å; Q225-T229 PolarHBondContact O-N 3.13Å; Q225-T229 PolarHBondContact O-OG1 3.09Å
226E92Very high82.7Confident110 Ų11098.5 Ų98.551%0.51451%0.508SS..Hα-helixtrans-69.8-34.1179-147.8178.8-150.300112.4R222 Q223 L224 T229 K230R222-E226 WeakPolarHBondContact O-CB 2.97Å; R222-E226 PolarHBondContact O-N 3.48Å; Q223-E226 PolarHBondContact O-N 3.24Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 3.41Å; E226-T229 PolarHBondContact O-OG1 3.35Å; E226-K230 WeakPolarHBondContact O-CG 3.46Å; E226-K230 PolarHBondContact O-N 3.36Å; E226-K230 VanDerWaalsContact O-N 3.11Å
227S83.2Confident82.7Confident54 Ų5498.2 Ų98.238%0.37851%0.509SS..Hα-helixtrans-69.2-37.6172.576.60000111.9Q223 L224 K230 L231Q223-S227 WeakPolarHBondContact O-CB 3.1Å; Q223-S227 PolarHBondContact O-N 2.93Å; Q223-S227 PolarHBondContact O-OG 2.61Å; L224-S227 PolarHBondContact O-N 2.84Å; L224-S227 PolarHBondContact O-OG 2.75Å; S227-K230 PolarHBondContact O-N 3.28Å; S227-L231 WeakPolarHBondContact O-CB 3.4Å; S227-L231 PolarHBondContact O-N 3.32Å
228A83.3Confident82.2Confident42 Ų4297.3 Ų97.335%0.34751%0.506SS..Hα-helixtrans-66.6-40.3177.500000111.5L224 Q225 L231 Q232L224-A228 WeakPolarHBondContact O-CB 3.2Å; L224-A228 PolarHBondContact O-N 3.25Å; Q225-A228 PolarHBondContact O-N 3.32Å; A228-L231 PolarHBondContact O-N 3.24Å; A228-Q232 WeakPolarHBondContact O-CB 3.3Å; A228-Q232 PolarHBondContact O-N 3.39Å
229T87.8Confident81.2Confident71 Ų71101.5 Ų101.544%0.43652%0.515SS..Hα-helixtrans-69.6-36.2175.656.60000112.2Q225 E226 Q232 T233Q225-T229 WeakPolarHBondContact O-CG2 3.49Å; Q225-T229 PolarHBondContact O-N 3.13Å; Q225-T229 PolarHBondContact O-OG1 3.09Å; E226-T229 PolarHBondContact O-OG1 3.35Å; T229-Q232 PolarHBondContact O-N 3.42Å; T229-T233 PolarHBondContact O-N 2.92Å; T229-T233 PolarHBondContact O-OG1 2.99Å
230K88.3Confident80Confident126 Ų126102 Ų10255%0.54853%0.527SS..Hα-helixtrans-63.3-40.6170.6-77.3175.3-177.2168.60112.4E226 S227 T233 L234E226-K230 WeakPolarHBondContact O-CG 3.46Å; E226-K230 PolarHBondContact O-N 3.36Å; E226-K230 VanDerWaalsContact O-N 3.11Å; S227-K230 PolarHBondContact O-N 3.28Å; K230-T233 WeakPolarHBondContact CA-OG1 3.25Å; K230-T233 PolarHBondContact O-N 3.1Å; K230-T233 PolarHBondContact O-OG1 3Å; K230-L234 WeakPolarHBondContact O-CB 3.32Å; K230-L234 WeakPolarHBondContact O-CG 3.39Å; K230-L234 PolarHBondContact O-N 3.44Å
231L78.4Confident78.6Confident118 Ų118104.1 Ų104.162%0.61853%0.534SS*.Hα-helixtrans-64.9-41173.6-98.3159.6000112.2S227 A228 L234 R235S227-L231 WeakPolarHBondContact O-CB 3.4Å; S227-L231 PolarHBondContact O-N 3.32Å; A228-L231 PolarHBondContact O-N 3.24Å; L231-L234 PolarHBondContact O-N 2.99Å; L231-R235 VanDerWaalsContact O-CB 3.25Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.25Å
232Q79.4Confident77.1Confident110 Ų110107.5 Ų107.551%0.51454%0.54SS..Hα-helixtrans-62.1-45.5177-15788.113.800111.1A228 T229 R235 D236A228-Q232 WeakPolarHBondContact O-CB 3.3Å; A228-Q232 PolarHBondContact O-N 3.39Å; T229-Q232 PolarHBondContact O-N 3.42Å; Q232-R235 WeakPolarHBondContact O-CB 3.31Å; Q232-R235 PolarHBondContact O-N 2.75Å; Q232-D236 PolarHBondContact O-N 3.15Å
233T84.6Confident75.3Confident73 Ų73109.9 Ų109.945%0.44856%0.555SS.*Hα-helixtrans-67.6-39178.443.70000112.9T229 K230 R235 D236 Q237T229-T233 PolarHBondContact O-N 2.92Å; T229-T233 PolarHBondContact O-OG1 2.99Å; K230-T233 WeakPolarHBondContact CA-OG1 3.25Å; K230-T233 PolarHBondContact O-N 3.1Å; K230-T233 PolarHBondContact O-OG1 3Å; T233-R235 VanDerWaalsContact C-N 3.34Å; T233-D236 PolarHBondContact O-N 3.25Å; T233-Q237 WeakPolarHBondContact O-CB 3.46Å; T233-Q237 VanDerWaalsContact O-CG 3.26Å; T233-Q237 WeakPolarHBondContact O-CG 3.33Å; T233-Q237 PolarHBondContact O-N 3.35Å
234L78.9Confident73.4Confident101 Ų101107 Ų10753%0.52955%0.553SS.*Hα-helixtrans-63.9-39.2171.5-78.6168.4000112K230 L231 Q237 C238K230-L234 WeakPolarHBondContact O-CB 3.32Å; K230-L234 WeakPolarHBondContact O-CG 3.39Å; K230-L234 PolarHBondContact O-N 3.44Å; L231-L234 PolarHBondContact O-N 2.99Å; L234-Q237 PolarHBondContact O-N 3.1Å; L234-C238 PolarHBondContact O-N 3.48Å
235R75.8Confident71.9Confident152 Ų152105.5 Ų105.557%0.57457%0.566SS**Hα-helixtrans-60.8-48.4174.7-175.7179.3-147.3168.95.6110.7L231 Q232 T233 Q237 C238 F239L231-R235 VanDerWaalsContact O-CB 3.25Å; L231-R235 WeakPolarHBondContact O-CB 3.41Å; L231-R235 PolarHBondContact O-N 3.25Å; Q232-R235 WeakPolarHBondContact O-CB 3.31Å; Q232-R235 PolarHBondContact O-N 2.75Å; T233-R235 VanDerWaalsContact C-N 3.34Å; R235-Q237 VanDerWaalsContact C-N 3.29Å; R235-Q237 PolarHBondContact O-N 3.43Å; R235-C238 PolarHBondContact O-N 3.22Å; R235-F239 HydrophobicContact CG-CD2 3.76Å; R235-F239 HydrophobicContact CG-CE2 3.57Å; R235-F239 WeakPolarHBondContact O-CD2 3.48Å; R235-F239 PolarHBondContact O-N 2.9Å
236D76.3Confident70.5Confident93 Ų93104.4 Ų104.450%0.49757%0.569SS.*Hα-helixtrans-64-35.1178.5-64-25.4000111.7Q232 T233 A240Q232-D236 PolarHBondContact O-N 3.15Å; T233-D236 PolarHBondContact O-N 3.25Å; D236-A240 WeakPolarHBondContact O-CB 3.48Å; D236-A240 PolarHBondContact O-N 3.11Å
237Q72.8Confident69Low119 Ų119104.3 Ų104.356%0.55657%0.572SS**Hα-helixtrans-67.7-41.5172.5-74.2174.123.600112.9T233 L234 R235 A240 Q241T233-Q237 WeakPolarHBondContact O-CB 3.46Å; T233-Q237 VanDerWaalsContact O-CG 3.26Å; T233-Q237 WeakPolarHBondContact O-CG 3.33Å; T233-Q237 PolarHBondContact O-N 3.35Å; L234-Q237 PolarHBondContact O-N 3.1Å; R235-Q237 VanDerWaalsContact C-N 3.29Å; R235-Q237 PolarHBondContact O-N 3.43Å; Q237-A240 PolarHBondContact O-N 3.44Å; Q237-Q241 PolarHBondContact O-N 3.38Å
238C60.9Low67.8Low79 Ų79107.1 Ų107.153%0.53459%0.587SS.*Hα-helixtrans-62.6-41.5173.7-960000111.9L234 R235 A240 Q241 H242L234-C238 PolarHBondContact O-N 3.48Å; R235-C238 PolarHBondContact O-N 3.22Å; C238-A240 VanDerWaalsContact C-N 3.34Å; C238-Q241 PolarHBondContact O-N 2.8Å; C238-H242 PolarHBondContact O-N 2.97Å
239F58.9Low66.9Low138 Ų138108.3 Ų108.361%0.60559%0.592SS**Hα-helixtrans-69.2-31.1175.2-79.7-69.8000112.6R235R235-F239 HydrophobicContact CG-CD2 3.76Å; R235-F239 HydrophobicContact CG-CE2 3.57Å; R235-F239 WeakPolarHBondContact O-CD2 3.48Å; R235-F239 PolarHBondContact O-N 2.9Å
240A58.5Low66.1Low69 Ų69108.1 Ų108.157%0.5759%0.591SS**Hα-helixtrans-70.6-37.5173.300000112.7D236 Q237 C238 H242 K243D236-A240 WeakPolarHBondContact O-CB 3.48Å; D236-A240 PolarHBondContact O-N 3.11Å; Q237-A240 PolarHBondContact O-N 3.44Å; C238-A240 VanDerWaalsContact C-N 3.34Å; A240-H242 VanDerWaalsContact C-N 3.3Å; A240-H242 PolarHBondContact O-N 3.06Å; A240-K243 PolarHBondContact O-N 2.89Å
241Q53.3Low65.6Low151 Ų151106 Ų10671%0.70659%0.585SS**Hα-helixtrans-68.3-27.1175.7-105176.6-3.200113.3Q237 C238 K243 A244Q237-Q241 PolarHBondContact O-N 3.38Å; C238-Q241 PolarHBondContact O-N 2.8Å; Q241-K243 PolarHBondContact O-N 3.01Å; Q241-A244 PolarHBondContact O-N 3.32Å
242H53.3Low65.3Low126 Ų126103.4 Ų103.458%0.58357%0.572SS**THydrogen-bonded Turntrans-70.2-4.5176.3-101.1-75.1000114.9C238 A240C238-H242 PolarHBondContact O-N 2.97Å; A240-H242 VanDerWaalsContact C-N 3.3Å; A240-H242 PolarHBondContact O-N 3.06Å
243K49.7Very low65.3Low196 Ų196104.4 Ų104.485%0.85258%0.576SS**THydrogen-bonded Turntrans-89.1-7.2172.5-80.8-167.1176-178.30114.7A240 Q241A240-K243 PolarHBondContact O-N 2.89Å; Q241-K243 PolarHBondContact O-N 3.01Å
244A49.7Very low65.2Low68 Ų68107.7 Ų107.756%0.56258%0.584SS**SBendtrans-103.9111.117100000108.8Q241 T246Q241-A244 PolarHBondContact O-N 3.32Å; A244-T246 PolarHBondContact O-N 3.39Å; A244-T246 PolarHBondContact O-OG1 3.5Å
245G57.9Low65.2Low87 Ų87107.6 Ų107.690%0.89758%0.584SS**  trans-45.9110.2-174.500000112.7
246T56.9Low65.6Low110 Ų110107.7 Ų107.768%0.67558%0.584SS**  trans-134.6117.9165.8-55.20000106.7A244 T248A244-T246 PolarHBondContact O-N 3.39Å; A244-T246 PolarHBondContact O-OG1 3.5Å; T246-T248 PolarHBondContact O-N 3.48Å
247D60.5Low66.3Low108 Ų108108.2 Ų108.258%0.57859%0.587SS**  trans-6.384.8176-55.5-30.5000116.3S249 T250 I251D247-S249 PolarHBondContact O-N 3.24Å; D247-S249 VanDerWaalsContact O-N 3.11Å; D247-T250 WeakPolarHBondContact CB-OG1 3.38Å; D247-T250 PolarHBondContact O-N 2.98Å; D247-I251 PolarHBondContact O-N 2.92Å
248T58.7Low67.2Low113 Ų113105.7 Ų105.769%0.69358%0.579SS**Hα-helixtrans-52.2-28.8169.6410000112.3T246 D252T246-T248 PolarHBondContact O-N 3.48Å; T248-D252 VanDerWaalsContact O-CB 3.3Å; T248-D252 WeakPolarHBondContact O-CB 3.46Å; T248-D252 PolarHBondContact O-N 3.47Å
249S64Low68.5Low67 Ų67106.7 Ų106.747%0.46958%0.578SS.*Hα-helixtrans-61.5-38.8172.954.60000113.1D247 Q253D247-S249 PolarHBondContact O-N 3.24Å; D247-S249 VanDerWaalsContact O-N 3.11Å; S249-Q253 WeakPolarHBondContact O-CB 3.46Å; S249-Q253 PolarHBondContact O-N 3.17Å
250T72.3Confident70Confident66 Ų66103.2 Ų103.241%0.40557%0.571SS.*Hα-helixtrans-75.5-35.5-176.9-460000111.5D247 K254D247-T250 WeakPolarHBondContact CB-OG1 3.38Å; D247-T250 PolarHBondContact O-N 2.98Å; T250-K254 WeakPolarHBondContact O-CB 3.42Å; T250-K254 VanDerWaalsContact O-CG 3.3Å; T250-K254 WeakPolarHBondContact O-CG 3.33Å; T250-K254 PolarHBondContact O-N 3.01Å
251I77.5Confident71.7Confident83 Ų83104.5 Ų104.543%0.42657%0.568SS.*Hα-helixtrans-68.4-44175.5-64.1171.4000110.1D247 K254 L255D247-I251 PolarHBondContact O-N 2.92Å; I251-K254 PolarHBondContact O-N 3.07Å; I251-L255 WeakPolarHBondContact O-CB 3.47Å; I251-L255 PolarHBondContact O-N 3.29Å
252D71.8Confident73.6Confident63 Ų63103.3 Ų103.334%0.33756%0.561SS.*Hα-helixtrans-63.3-41.6176.3177.576.2000111.9T248 K254 L255 R256T248-D252 VanDerWaalsContact O-CB 3.3Å; T248-D252 WeakPolarHBondContact O-CB 3.46Å; T248-D252 PolarHBondContact O-N 3.47Å; D252-K254 PolarHBondContact O-N 2.85Å; D252-L255 PolarHBondContact O-N 2.89Å; D252-R256 WeakPolarHBondContact O-CG 3.41Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 IonicContact OD1-NE 2.92Å; D252-R256 IonicContact OD1-NH2 2.91Å; D252-R256 IonicContact OD2-CZ 2.65Å; D252-R256 IonicContact OD2-NE 3.78Å; D252-R256 PolarHBondContact OD2-NE 3.44Å; D252-R256 IonicContact OD2-NH2 3.3Å; D252-R256 PolarHBondContact OD2-NH2 3.39Å
253Q79.3Confident75.4Confident130 Ų130104 Ų10461%0.60756%0.56SS**Hα-helixtrans-60.7-45173.2-13896.37.900111.9S249 R256 L257S249-Q253 WeakPolarHBondContact O-CB 3.46Å; S249-Q253 PolarHBondContact O-N 3.17Å; Q253-R256 PolarHBondContact O-N 3.28Å; Q253-L257 WeakPolarHBondContact O-CB 3.23Å; Q253-L257 PolarHBondContact O-N 2.72Å
254K81.7Confident77.5Confident142 Ų142100.3 Ų100.362%0.61755%0.545SS*.Hα-helixtrans-64.8-40.6177.7-76.9178.6179.2-176.10111.7T250 I251 D252 L257 V258T250-K254 WeakPolarHBondContact O-CB 3.42Å; T250-K254 VanDerWaalsContact O-CG 3.3Å; T250-K254 WeakPolarHBondContact O-CG 3.33Å; T250-K254 PolarHBondContact O-N 3.01Å; I251-K254 PolarHBondContact O-N 3.07Å; D252-K254 PolarHBondContact O-N 2.85Å; K254-L257 PolarHBondContact O-N 3.42Å; K254-V258 WeakPolarHBondContact O-CB 3.19Å; K254-V258 VanDerWaalsContact O-CG2 3.26Å; K254-V258 WeakPolarHBondContact O-CG2 3.4Å; K254-V258 PolarHBondContact O-N 3.26Å
255L80.5Confident79.6Confident100 Ų100102.7 Ų102.752%0.52455%0.548SS..Hα-helixtrans-65.8-43.4178-17564.6000111.2I251 D252 L257 V258 I259I251-L255 WeakPolarHBondContact O-CB 3.47Å; I251-L255 PolarHBondContact O-N 3.29Å; D252-L255 PolarHBondContact O-N 2.89Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 2.95Å; L255-V258 PolarHBondContact O-N 2.79Å; L255-I259 HydrophobicContact CD1-CD1 4.17Å; L255-I259 HydrophobicContact CD1-CG1 4.42Å; L255-I259 HydrophobicContact CD2-CD1 4.49Å; L255-I259 HydrophobicContact CG-CD1 3.83Å; L255-I259 HydrophobicContact CG-CG1 4.47Å; L255-I259 WeakPolarHBondContact O-CB 3.41Å; L255-I259 WeakPolarHBondContact O-CG1 3.35Å; L255-I259 PolarHBondContact O-N 3.41Å
256R82.5Confident81.2Confident153 Ų153103 Ų10358%0.57753%0.528SS*.Hα-helixtrans-60.8-38.3173.8-71.6179.8-147.9-129.98.1112.4D252 Q253 S260D252-R256 WeakPolarHBondContact O-CG 3.41Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 IonicContact OD1-NE 2.92Å; D252-R256 IonicContact OD1-NH2 2.91Å; D252-R256 IonicContact OD2-CZ 2.65Å; D252-R256 IonicContact OD2-NE 3.78Å; D252-R256 PolarHBondContact OD2-NE 3.44Å; D252-R256 IonicContact OD2-NH2 3.3Å; D252-R256 PolarHBondContact OD2-NH2 3.39Å; Q253-R256 PolarHBondContact O-N 3.28Å; R256-S260 WeakPolarHBondContact O-CB 3.45Å; R256-S260 PolarHBondContact O-N 3.44Å; R256-S260 PolarHBondContact O-OG 2.98Å; R256-S260 VanDerWaalsContact O-OG 3.1Å
257L91Very high82.8Confident105 Ų105101 Ų10155%0.5551%0.513SS..Hα-helixtrans-68-47.1178.3-162.8144.9000110.6Q253 K254 L255 I259 S260 D261Q253-L257 WeakPolarHBondContact O-CB 3.23Å; Q253-L257 PolarHBondContact O-N 2.72Å; K254-L257 PolarHBondContact O-N 3.42Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 2.95Å; L257-I259 PolarHBondContact O-N 3.5Å; L257-S260 WeakPolarHBondContact O-CB 3.45Å; L257-S260 PolarHBondContact O-N 3.06Å; L257-S260 VanDerWaalsContact O-N 3.16Å; L257-D261 WeakPolarHBondContact CD2-OD2 3.41Å; L257-D261 VanDerWaalsContact O-CG 3.32Å; L257-D261 PolarHBondContact O-N 3.46Å
258V92.1Very high84.3Confident65 Ų6598.4 Ų98.439%0.39451%0.506SS..Hα-helixtrans-61-42.8174.9170.20000111.7K254 L255 S260 D261 F262K254-V258 WeakPolarHBondContact O-CB 3.19Å; K254-V258 VanDerWaalsContact O-CG2 3.26Å; K254-V258 WeakPolarHBondContact O-CG2 3.4Å; K254-V258 PolarHBondContact O-N 3.26Å; L255-V258 PolarHBondContact O-N 2.79Å; V258-S260 VanDerWaalsContact C-N 3.34Å; V258-D261 PolarHBondContact O-N 3.38Å; V258-F262 HydrophobicContact CG1-CD2 3.54Å; V258-F262 HydrophobicContact CG1-CE2 3.38Å; V258-F262 WeakPolarHBondContact O-CB 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.13Å; V258-F262 PolarHBondContact O-N 3.5Å
259I88.1Confident85.8Confident100 Ų10098.9 Ų98.951%0.51350%0.499SS..Hα-helixtrans-64.1-40.3175.8-70.1168.1000110.8L255 L257 F262 Y263L255-I259 HydrophobicContact CD1-CD1 4.17Å; L255-I259 HydrophobicContact CD1-CG1 4.42Å; L255-I259 HydrophobicContact CD2-CD1 4.49Å; L255-I259 HydrophobicContact CG-CD1 3.83Å; L255-I259 HydrophobicContact CG-CG1 4.47Å; L255-I259 WeakPolarHBondContact O-CB 3.41Å; L255-I259 WeakPolarHBondContact O-CG1 3.35Å; L255-I259 PolarHBondContact O-N 3.41Å; L257-I259 PolarHBondContact O-N 3.5Å; I259-F262 PolarHBondContact O-N 3.36Å; I259-Y263 WeakPolarHBondContact O-CB 3.08Å; I259-Y263 PolarHBondContact O-N 2.94Å
260S90.9Very high87Confident66 Ų6699.4 Ų99.446%0.46250%0.496SS..Hα-helixtrans-63.9-44.3174.3-72.30000111.6R256 L257 V258 F262 Y263 Q264R256-S260 WeakPolarHBondContact O-CB 3.45Å; R256-S260 PolarHBondContact O-N 3.44Å; R256-S260 PolarHBondContact O-OG 2.98Å; R256-S260 VanDerWaalsContact O-OG 3.1Å; L257-S260 WeakPolarHBondContact O-CB 3.45Å; L257-S260 PolarHBondContact O-N 3.06Å; L257-S260 VanDerWaalsContact O-N 3.16Å; V258-S260 VanDerWaalsContact C-N 3.34Å; S260-F262 PolarHBondContact O-N 3.02Å; S260-Y263 WeakPolarHBondContact O-CB 3.48Å; S260-Y263 PolarHBondContact O-N 3.38Å; S260-Q264 VanDerWaalsContact O-CG 3.3Å; S260-Q264 WeakPolarHBondContact O-CG 3.21Å; S260-Q264 PolarHBondContact O-N 3.27Å
261D94.1Very high87.7Confident95 Ų95102.3 Ų102.351%0.50851%0.505SS..Hα-helixtrans-62.9-42.6178.5-70.9-8.9000111L257 V258 Q264 L265L257-D261 WeakPolarHBondContact CD2-OD2 3.41Å; L257-D261 VanDerWaalsContact O-CG 3.32Å; L257-D261 PolarHBondContact O-N 3.46Å; V258-D261 PolarHBondContact O-N 3.38Å; D261-Q264 PolarHBondContact O-N 3.24Å; D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 PolarHBondContact O-N 2.98Å
262F93.6Very high88.1Confident127 Ų127101.5 Ų101.556%0.55750%0.504SS*.Hα-helixtrans-63-41.9173.3-83.7-62.2000112.3V258 I259 S260 Q264 L265 I266V258-F262 HydrophobicContact CG1-CD2 3.54Å; V258-F262 HydrophobicContact CG1-CE2 3.38Å; V258-F262 WeakPolarHBondContact O-CB 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.13Å; V258-F262 PolarHBondContact O-N 3.5Å; I259-F262 PolarHBondContact O-N 3.36Å; S260-F262 PolarHBondContact O-N 3.02Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-L265 PolarHBondContact O-N 3.3Å; F262-I266 VanDerWaalsContact O-CG1 3.28Å; F262-I266 WeakPolarHBondContact O-CG1 3.29Å; F262-I266 PolarHBondContact O-N 2.77Å
263Y91.1Very high88.6Confident141 Ų141102.7 Ų102.755%0.55350%0.504SS*.Hα-helixtrans-62.8-42.4176.9-174.3-103.6000111.4I259 S260 I266 L267I259-Y263 WeakPolarHBondContact O-CB 3.08Å; I259-Y263 PolarHBondContact O-N 2.94Å; S260-Y263 WeakPolarHBondContact O-CB 3.48Å; S260-Y263 PolarHBondContact O-N 3.38Å; Y263-I266 PolarHBondContact O-N 3.19Å; Y263-L267 HydrophobicContact CD1-CD1 3.78Å; Y263-L267 HydrophobicContact CD1-CG 4.31Å; Y263-L267 HydrophobicContact CE1-CD1 3.36Å; Y263-L267 HydrophobicContact CE1-CG 4.02Å; Y263-L267 WeakPolarHBondContact O-CG 3.44Å; Y263-L267 PolarHBondContact O-N 2.89Å
264Q92.9Very high88.7Confident118 Ų118101.8 Ų101.855%0.55150%0.504SS*.Hα-helixtrans-64.2-39.1174.2-68.6-61.6-28.500112.1S260 D261 F262 L267 A268S260-Q264 VanDerWaalsContact O-CG 3.3Å; S260-Q264 WeakPolarHBondContact O-CG 3.21Å; S260-Q264 PolarHBondContact O-N 3.27Å; D261-Q264 PolarHBondContact O-N 3.24Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; Q264-L267 PolarHBondContact O-N 3.32Å; Q264-A268 WeakPolarHBondContact O-CB 3.49Å; Q264-A268 PolarHBondContact O-N 3.47Å
265L94.3Very high88.6Confident118 Ų11899.5 Ų99.562%0.61850%0.498SS*.Hα-helixtrans-64.9-41175.9-16181.1000111.7D261 F262 A268 F269D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 PolarHBondContact O-N 2.98Å; F262-L265 PolarHBondContact O-N 3.3Å; L265-A268 PolarHBondContact O-N 3.01Å; L265-F269 WeakPolarHBondContact O-CB 3.47Å; L265-F269 PolarHBondContact O-N 3.29Å
266I91.1Very high88.4Confident94 Ų94101.3 Ų101.348%0.48250%0.504SS..Hα-helixtrans-64.4-45.1175.3-70.5166.7000110.3F262 Y263 F269 L270F262-I266 VanDerWaalsContact O-CG1 3.28Å; F262-I266 WeakPolarHBondContact O-CG1 3.29Å; F262-I266 PolarHBondContact O-N 2.77Å; Y263-I266 PolarHBondContact O-N 3.19Å; I266-F269 PolarHBondContact O-N 3.38Å; I266-L270 HydrophobicContact CG2-CD1 3.92Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CB 3.3Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.27Å; I266-L270 PolarHBondContact O-N 3.23Å
267L91.4Very high87.7Confident68 Ų6897.7 Ų97.736%0.35650%0.496SS..Hα-helixtrans-62.5-44176.9-73.9178.9000112Y263 Q264 F269 L270 Q271Y263-L267 HydrophobicContact CD1-CD1 3.78Å; Y263-L267 HydrophobicContact CD1-CG 4.31Å; Y263-L267 HydrophobicContact CE1-CD1 3.36Å; Y263-L267 HydrophobicContact CE1-CG 4.02Å; Y263-L267 WeakPolarHBondContact O-CG 3.44Å; Y263-L267 PolarHBondContact O-N 2.89Å; Q264-L267 PolarHBondContact O-N 3.32Å; L267-F269 VanDerWaalsContact C-N 3.34Å; L267-F269 PolarHBondContact O-N 3.47Å; L267-L270 PolarHBondContact O-N 3.05Å; L267-Q271 WeakPolarHBondContact O-CB 3.35Å; L267-Q271 PolarHBondContact O-N 3.42Å
268A92.3Very high86.6Confident52 Ų5293.2 Ų93.243%0.4347%0.474SS..Hα-helixtrans-62.3-42175.500000111.6Q264 L265 Q271 V272Q264-A268 WeakPolarHBondContact O-CB 3.49Å; Q264-A268 PolarHBondContact O-N 3.47Å; L265-A268 PolarHBondContact O-N 3.01Å; A268-Q271 PolarHBondContact O-N 2.83Å; A268-V272 WeakPolarHBondContact O-CG2 3.43Å; A268-V272 PolarHBondContact O-N 2.88Å
269F90.1Very high85.4Confident123 Ų12397.5 Ų97.554%0.53949%0.488SS..Hα-helixtrans-61.9-46.1174.4172.9-94.4000112L265 I266 L267 Q271 V272 Y273L265-F269 WeakPolarHBondContact O-CB 3.47Å; L265-F269 PolarHBondContact O-N 3.29Å; I266-F269 PolarHBondContact O-N 3.38Å; L267-F269 VanDerWaalsContact C-N 3.34Å; L267-F269 PolarHBondContact O-N 3.47Å; F269-Q271 VanDerWaalsContact C-N 3.29Å; F269-Q271 PolarHBondContact O-N 3.21Å; F269-V272 PolarHBondContact O-N 3.46Å; F269-Y273 VanDerWaalsContact O-CB 3.23Å; F269-Y273 WeakPolarHBondContact O-CB 3.49Å; F269-Y273 PolarHBondContact O-N 3.21Å
270L87.8Confident84.2Confident79 Ų7996.5 Ų96.541%0.41449%0.489SS..Hα-helixtrans-61.9-39.3178.2-73.5170.2000111.3I266 L267 Y273 D274I266-L270 HydrophobicContact CG2-CD1 3.92Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 WeakPolarHBondContact O-CB 3.3Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.27Å; I266-L270 PolarHBondContact O-N 3.23Å; L267-L270 PolarHBondContact O-N 3.05Å; L270-Y273 WeakPolarHBondContact O-CB 3.47Å; L270-Y273 PolarHBondContact O-N 3.41Å; L270-D274 PolarHBondContact O-N 3.5Å
271Q87.9Confident82.9Confident126 Ų12696.9 Ų96.959%0.58949%0.491SS*.Hα-helixtrans-68.4-44.6177.8-170.6165.6-9.200112.3L267 A268 F269 Y273 D274 D275L267-Q271 WeakPolarHBondContact O-CB 3.35Å; L267-Q271 PolarHBondContact O-N 3.42Å; A268-Q271 PolarHBondContact O-N 2.83Å; F269-Q271 VanDerWaalsContact C-N 3.29Å; F269-Q271 PolarHBondContact O-N 3.21Å; Q271-Y273 PolarHBondContact O-N 2.96Å; Q271-D274 PolarHBondContact O-N 3.27Å; Q271-D275 VanDerWaalsContact O-CB 3.32Å; Q271-D275 WeakPolarHBondContact O-CB 3.38Å; Q271-D275 PolarHBondContact O-N 2.91Å
272V86.4Confident81.4Confident66 Ų66100 Ų10040%0.450%0.502SS..Hα-helixtrans-63.2-36172173.80000110.8A268 F269 E276 L277A268-V272 WeakPolarHBondContact O-CG2 3.43Å; A268-V272 PolarHBondContact O-N 2.88Å; F269-V272 PolarHBondContact O-N 3.46Å; V272-E276 HydrophobicContact CG1-CB 4.37Å; V272-E276 HydrophobicContact CG1-CG 4.49Å; V272-E276 WeakPolarHBondContact O-CA 3.4Å; V272-E276 WeakPolarHBondContact O-CB 3.28Å; V272-E276 PolarHBondContact O-N 3.22Å; V272-L277 PolarHBondContact O-N 2.8Å
273Y82Confident79.8Confident89 Ų89103.9 Ų103.935%0.34951%0.513SS..Iπ-helixtrans-62.1-49.5174.5179.4-90.7000110.9F269 L270 Q271 L277 G278 C281F269-Y273 VanDerWaalsContact O-CB 3.23Å; F269-Y273 WeakPolarHBondContact O-CB 3.49Å; F269-Y273 PolarHBondContact O-N 3.21Å; L270-Y273 WeakPolarHBondContact O-CB 3.47Å; L270-Y273 PolarHBondContact O-N 3.41Å; Q271-Y273 PolarHBondContact O-N 2.96Å; Y273-L277 HydrophobicContact CD2-CB 3.98Å; Y273-L277 HydrophobicContact CD2-CD1 4.44Å; Y273-L277 HydrophobicContact CE2-CB 4.49Å; Y273-L277 CarbonylContact O-C 3.55Å; Y273-L277 PolarHBondContact O-N 3.42Å; Y273-G278 VanDerWaalsContact O-CA 3.31Å; Y273-G278 WeakPolarHBondContact O-CA 3.29Å; Y273-G278 PolarHBondContact O-N 2.82Å; Y273-C281 PolarHBondContact OH-SG 3.42Å
274D80.7Confident78.4Confident111 Ų111102.9 Ų102.959%0.59452%0.524SS*.Iπ-helixtrans-69.2-38.7-178.7-71.3-26.2000112.6L270 Q271L270-D274 PolarHBondContact O-N 3.5Å; Q271-D274 PolarHBondContact O-N 3.27Å
275D78.9Confident76.7Confident94 Ų94104.4 Ų104.450%0.50354%0.535SS..Iπ-helixtrans-83.3-37.5-173.7-71.1-29.9000113.9Q271 K279Q271-D275 VanDerWaalsContact O-CB 3.32Å; Q271-D275 WeakPolarHBondContact O-CB 3.38Å; Q271-D275 PolarHBondContact O-N 2.91Å; D275-K279 PolarHBondContact O-NZ 3.34Å
276E76.3Confident75.1Confident138 Ų138103.5 Ų103.565%0.64554%0.536SS*.Iπ-helixtrans-113.5-48.3-172.4-58-167176.100113.7V272V272-E276 HydrophobicContact CG1-CB 4.37Å; V272-E276 HydrophobicContact CG1-CG 4.49Å; V272-E276 WeakPolarHBondContact O-CA 3.4Å; V272-E276 WeakPolarHBondContact O-CB 3.28Å; V272-E276 PolarHBondContact O-N 3.22Å
277L68.5Low73.5Confident77 Ų77104.7 Ų104.740%0.40355%0.553SS.*Iπ-helixtrans-87.3-23.1-176-69.7149.2000113.4V272 Y273 K279 C280 C281V272-L277 PolarHBondContact O-N 2.8Å; Y273-L277 HydrophobicContact CD2-CB 3.98Å; Y273-L277 HydrophobicContact CD2-CD1 4.44Å; Y273-L277 HydrophobicContact CE2-CB 4.49Å; Y273-L277 CarbonylContact O-C 3.55Å; Y273-L277 PolarHBondContact O-N 3.42Å; L277-K279 VanDerWaalsContact C-N 3.25Å; L277-K279 PolarHBondContact O-N 3.4Å; L277-C280 CarbonylContact O-C 3.6Å; L277-C280 WeakPolarHBondContact O-CA 3.34Å; L277-C280 VanDerWaalsContact O-CB 3.24Å; L277-C280 WeakPolarHBondContact O-CB 3.43Å; L277-C280 PolarHBondContact O-N 3Å; L277-C281 PolarHBondContact O-N 3.49Å; L277-C281 PolarHBondContact O-SG 3.16Å; L277-C281 VanDerWaalsContact O-SG 3.42Å
278G67.5Low72.1Confident10 Ų10108.7 Ų108.710%0.10357%0.574CS.*Hα-helixtrans-65-35.6-17500000110.7Y273 C280 C281 Q282Y273-G278 VanDerWaalsContact O-CA 3.31Å; Y273-G278 WeakPolarHBondContact O-CA 3.29Å; Y273-G278 PolarHBondContact O-N 2.82Å; G278-C280 VanDerWaalsContact C-N 3.29Å; G278-C280 PolarHBondContact O-N 3.17Å; G278-C281 PolarHBondContact O-N 3.43Å; G278-Q282 WeakPolarHBondContact O-CG 3.31Å; G278-Q282 PolarHBondContact O-N 3.29Å
279K67.3Low70.8Confident156 Ų156112.8 Ų112.868%0.67858%0.584SS**Hα-helixtrans-64.3-31.8170.6-64.8170.9-172.7141.80112.5D275 L277D275-K279 PolarHBondContact O-NZ 3.34Å; L277-K279 VanDerWaalsContact C-N 3.25Å; L277-K279 PolarHBondContact O-N 3.4Å
280C63Low69.9Low78 Ų78112 Ų11253%0.52759%0.591SS.*Hα-helixtrans-76.5-30.7174.5-60.40000112.2L277 G278L277-C280 CarbonylContact O-C 3.6Å; L277-C280 WeakPolarHBondContact O-CA 3.34Å; L277-C280 VanDerWaalsContact O-CB 3.24Å; L277-C280 WeakPolarHBondContact O-CB 3.43Å; L277-C280 PolarHBondContact O-N 3Å; G278-C280 VanDerWaalsContact C-N 3.29Å; G278-C280 PolarHBondContact O-N 3.17Å
281C63.3Low69.2Low75 Ų75109.8 Ų109.851%0.50758%0.582SS.*Hα-helixtrans-79.1-23.1175.5-640000113.1Y273 L277 G278 R283Y273-C281 PolarHBondContact OH-SG 3.42Å; L277-C281 PolarHBondContact O-N 3.49Å; L277-C281 PolarHBondContact O-SG 3.16Å; L277-C281 VanDerWaalsContact O-SG 3.42Å; G278-C281 PolarHBondContact O-N 3.43Å; C281-R283 PolarHBondContact O-N 2.89Å; C281-R283 VanDerWaalsContact O-N 3.09Å
282Q63.2Low68.8Low159 Ų159105.5 Ų105.574%0.74357%0.572SS**  trans-79.836.1171.5-71.1-179.422.700112.9G278 P284G278-Q282 WeakPolarHBondContact O-CG 3.31Å; G278-Q282 PolarHBondContact O-N 3.29Å; Q282-P284 WeakPolarHBondContact O-CD 3.48Å
283R60.3Low68.6Low210 Ų210106.8 Ų106.879%0.79258%0.582SS**  trans-60.8125.2167.4-84.1178.9-173.3169.83107.4C281 L285C281-R283 PolarHBondContact O-N 2.89Å; C281-R283 VanDerWaalsContact O-N 3.09Å; R283-L285 PolarHBondContact O-N 3.08Å
284P60.3Low68.7Low119 Ų119108 Ų10877%0.77359%0.593SS**  trans-52.3135.2169.820.7-29.3000107.5Q282Q282-P284 WeakPolarHBondContact O-CD 3.48Å
285L58Low68.8Low150 Ų150107.8 Ų107.879%0.78559%0.591SS**  trans-42.6132.3178-167.170.6000108.1R283 S287R283-L285 PolarHBondContact O-N 3.08Å; L285-S287 PolarHBondContact O-N 3.34Å
286P61.3Low69.2Low100 Ų100109.2 Ų109.265%0.64959%0.594SS**  trans-47.7122179.9-22.429.3000107.3L288P286-L288 PolarHBondContact O-N 3.25Å
287S57.9Low69.8Low119 Ų119105.2 Ų105.283%0.83259%0.585SS**  trans-6493179.756.10000106.6L285 H289L285-S287 PolarHBondContact O-N 3.34Å; S287-H289 PolarHBondContact O-N 2.97Å
288L61.9Low70.9Confident152 Ų152106 Ų10680%0.79659%0.592SS**  trans-60116.5174.6-68.7172.7000105.3P286P286-L288 PolarHBondContact O-N 3.25Å
289H64.1Low72.2Confident137 Ų137112.8 Ų112.863%0.63462%0.616SS**  trans-55.6134.3-180-173.1-86.3000108.2S287 S291 G292S287-H289 PolarHBondContact O-N 2.97Å; H289-S291 WeakPolarHBondContact ND1-CB 3.42Å; H289-S291 PolarHBondContact ND1-N 2.97Å; H289-S291 PolarHBondContact ND1-OG 3.27Å; H289-S291 PolarHBondContact O-N 3.4Å; H289-G292 PolarHBondContact O-N 3.3Å; H289-G292 VanDerWaalsContact O-N 3.15Å
290P70.4Confident73.4Confident108 Ų108110 Ų11070%0.70161%0.606SS**THydrogen-bonded Turntrans-63.4-0.7-17424.5-34000114G292P290-G292 VanDerWaalsContact C-N 3.33Å
291S75.1Confident74.7Confident31 Ų31111 Ų11122%0.21761%0.609CS.*THydrogen-bonded Turntrans-77.3-10.2173.463.80000114.4H289 I294 I295H289-S291 WeakPolarHBondContact ND1-CB 3.42Å; H289-S291 PolarHBondContact ND1-N 2.97Å; H289-S291 PolarHBondContact ND1-OG 3.27Å; H289-S291 PolarHBondContact O-N 3.4Å; S291-I294 CarbonylContact O-C 3.53Å; S291-I294 WeakPolarHBondContact O-CA 3.45Å; S291-I294 WeakPolarHBondContact O-CB 3.26Å; S291-I294 PolarHBondContact O-N 3.2Å; S291-I295 WeakPolarHBondContact O-CG1 3.43Å; S291-I295 PolarHBondContact O-N 3.24Å
292G78.1Confident76.2Confident37 Ų37113.3 Ų113.338%0.38162%0.616SS.*Hα-helixtrans-50.4-53.4179.300000113.3H289 P290 I294 I295 Q296H289-G292 PolarHBondContact O-N 3.3Å; H289-G292 VanDerWaalsContact O-N 3.15Å; P290-G292 VanDerWaalsContact C-N 3.33Å; G292-I294 VanDerWaalsContact C-N 3.29Å; G292-I294 PolarHBondContact O-N 2.65Å; G292-I295 PolarHBondContact O-N 3.29Å; G292-Q296 WeakPolarHBondContact O-CB 3.45Å; G292-Q296 PolarHBondContact O-N 3.24Å
293P82.8Confident77.6Confident93 Ų93108 Ų10860%0.60459%0.594SS**Hα-helixtrans-60.8-34.4175.1-25.435.4000113.9A297P293-A297 WeakPolarHBondContact O-CB 3.39Å; P293-A297 PolarHBondContact O-N 2.91Å
294I84.1Confident79.1Confident113 Ų113100.8 Ų100.858%0.57958%0.576SS**Hα-helixtrans-69.7-47.8178.9-57.7175.1000110.2S291 G292 Q296 A297 V298S291-I294 CarbonylContact O-C 3.53Å; S291-I294 WeakPolarHBondContact O-CA 3.45Å; S291-I294 WeakPolarHBondContact O-CB 3.26Å; S291-I294 PolarHBondContact O-N 3.2Å; G292-I294 VanDerWaalsContact C-N 3.29Å; G292-I294 PolarHBondContact O-N 2.65Å; I294-Q296 VanDerWaalsContact C-N 3.31Å; I294-Q296 PolarHBondContact O-N 3.05Å; I294-A297 PolarHBondContact O-N 2.93Å; I294-V298 VanDerWaalsContact O-CG2 3.31Å; I294-V298 WeakPolarHBondContact O-CG2 3.45Å; I294-V298 PolarHBondContact O-N 3.35Å
295I83.2Confident80.6Confident108 Ų10898 Ų9855%0.55456%0.559SS**Hα-helixtrans-62.9-41.3177.9-65.8167.5000110S291 G292 V298 Y299S291-I295 WeakPolarHBondContact O-CG1 3.43Å; S291-I295 PolarHBondContact O-N 3.24Å; G292-I295 PolarHBondContact O-N 3.29Å; I295-V298 PolarHBondContact O-N 3.38Å; I295-Y299 WeakPolarHBondContact O-CB 3.38Å; I295-Y299 PolarHBondContact O-N 3.17Å
296Q86.3Confident82.2Confident124 Ų12492.4 Ų92.458%0.57954%0.537SS*.Hα-helixtrans-63.2-44.1175.4-175.9174.8-7.700111.6G292 I294 Y299 Q300G292-Q296 WeakPolarHBondContact O-CB 3.45Å; G292-Q296 PolarHBondContact O-N 3.24Å; I294-Q296 VanDerWaalsContact C-N 3.31Å; I294-Q296 PolarHBondContact O-N 3.05Å; Q296-Y299 PolarHBondContact O-N 3.11Å; Q296-Q300 WeakPolarHBondContact O-CB 3.44Å; Q296-Q300 VanDerWaalsContact O-CG 3.25Å; Q296-Q300 WeakPolarHBondContact O-CG 3.27Å; Q296-Q300 PolarHBondContact O-N 2.95Å
297A88.8Confident83.7Confident53 Ų5393.1 Ų93.144%0.43853%0.532SS..Hα-helixtrans-61.1-48.3176.400000111.4P293 I294 Y299 Q300 T301P293-A297 WeakPolarHBondContact O-CB 3.39Å; P293-A297 PolarHBondContact O-N 2.91Å; I294-A297 PolarHBondContact O-N 2.93Å; A297-Y299 PolarHBondContact O-N 2.9Å; A297-Q300 PolarHBondContact O-N 3.45Å; A297-T301 PolarHBondContact O-N 3.36Å; A297-T301 PolarHBondContact O-OG1 3.02Å
298V93Very high85.3Confident93 Ų9393.2 Ų93.256%0.56452%0.523SS*.Hα-helixtrans-59.4-45.7177.7171.60000111.3I294 I295 Q300 T301 L302I294-V298 VanDerWaalsContact O-CG2 3.31Å; I294-V298 WeakPolarHBondContact O-CG2 3.45Å; I294-V298 PolarHBondContact O-N 3.35Å; I295-V298 PolarHBondContact O-N 3.38Å; V298-Q300 PolarHBondContact O-N 2.84Å; V298-T301 PolarHBondContact O-N 2.99Å; V298-L302 WeakPolarHBondContact O-CB 3.26Å; V298-L302 PolarHBondContact O-N 2.98Å
299Y93.1Very high86.7Confident154 Ų15491 Ų9160%0.60451%0.511SS*.Hα-helixtrans-60.8-43.4177.5178-95.4000112.2I295 Q296 A297 L302 T303I295-Y299 WeakPolarHBondContact O-CB 3.38Å; I295-Y299 PolarHBondContact O-N 3.17Å; Q296-Y299 PolarHBondContact O-N 3.11Å; A297-Y299 PolarHBondContact O-N 2.9Å; Y299-L302 PolarHBondContact O-N 3.46Å; Y299-T303 WeakPolarHBondContact O-CB 2.78Å; Y299-T303 PolarHBondContact O-N 3.23Å; Y299-T303 PolarHBondContact O-OG1 3.22Å
300Q93.8Very high88.1Confident98 Ų9891.8 Ų91.846%0.45851%0.508SS..Hα-helixtrans-65.4-45.5177.7-70-62.9-20.100111.5Q296 A297 V298 L302 T303 S304Q296-Q300 WeakPolarHBondContact O-CB 3.44Å; Q296-Q300 VanDerWaalsContact O-CG 3.25Å; Q296-Q300 WeakPolarHBondContact O-CG 3.27Å; Q296-Q300 PolarHBondContact O-N 2.95Å; A297-Q300 PolarHBondContact O-N 3.45Å; V298-Q300 PolarHBondContact O-N 2.84Å; Q300-L302 VanDerWaalsContact C-N 3.35Å; Q300-L302 PolarHBondContact O-N 3.02Å; Q300-T303 WeakPolarHBondContact O-CB 3.21Å; Q300-T303 PolarHBondContact O-N 3.17Å; Q300-S304 PolarHBondContact O-N 3Å; Q300-S304 PolarHBondContact O-OG 3.44Å
301T91Very high89.1Confident98 Ų9888.6 Ų88.660%0.60149%0.491SS*.Hα-helixtrans-60.7-43.7177-56.50000111.8A297 V298 T303 S304 C305A297-T301 PolarHBondContact O-N 3.36Å; A297-T301 PolarHBondContact O-OG1 3.02Å; V298-T301 PolarHBondContact O-N 2.99Å; T301-T303 VanDerWaalsContact C-N 3.33Å; T301-T303 PolarHBondContact O-N 3.4Å; T301-S304 PolarHBondContact O-N 3.39Å; T301-C305 WeakPolarHBondContact O-CB 3.47Å; T301-C305 PolarHBondContact O-N 3.48Å
302L94.3Very high89.7Confident123 Ų12391.5 Ų91.564%0.64451%0.507SS*.Hα-helixtrans-64.3-39.9177.2-171.965.7000111.5V298 Y299 Q300 C305 G306V298-L302 WeakPolarHBondContact O-CB 3.26Å; V298-L302 PolarHBondContact O-N 2.98Å; Y299-L302 PolarHBondContact O-N 3.46Å; Q300-L302 VanDerWaalsContact C-N 3.35Å; Q300-L302 PolarHBondContact O-N 3.02Å; L302-C305 PolarHBondContact O-N 3.31Å; L302-G306 PolarHBondContact O-N 3.22Å
303T92.8Very high90.3Very high48 Ų4895.7 Ų95.729%0.29452%0.518SS..Hα-helixtrans-63.5-45.9176.5-58.70000111.4Y299 Q300 T301 C305 G306 Q307Y299-T303 WeakPolarHBondContact O-CB 2.78Å; Y299-T303 PolarHBondContact O-N 3.23Å; Y299-T303 PolarHBondContact O-OG1 3.22Å; Q300-T303 WeakPolarHBondContact O-CB 3.21Å; Q300-T303 PolarHBondContact O-N 3.17Å; T301-T303 VanDerWaalsContact C-N 3.33Å; T301-T303 PolarHBondContact O-N 3.4Å; T303-C305 VanDerWaalsContact C-N 3.34Å; T303-C305 PolarHBondContact O-N 3.09Å; T303-G306 PolarHBondContact O-N 3.17Å; T303-Q307 WeakPolarHBondContact O-CG 3.42Å; T303-Q307 PolarHBondContact O-N 3.08Å
304S92.1Very high90.7Very high58 Ų5896.8 Ų96.841%0.40652%0.516SS..Hα-helixtrans-62.8-40.1175.8-61.10000112.1Q300 T301 Q307 L308Q300-S304 PolarHBondContact O-N 3Å; Q300-S304 PolarHBondContact O-OG 3.44Å; T301-S304 PolarHBondContact O-N 3.39Å; S304-Q307 PolarHBondContact O-N 2.56Å; S304-L308 PolarHBondContact O-N 2.87Å
305C90.1Very high91Very high62 Ų6296.9 Ų96.942%0.41952%0.516SS..Hα-helixtrans-60.6-45.5174.7-174.60000111.5T301 L302 T303 Q307 L308 L309T301-C305 WeakPolarHBondContact O-CB 3.47Å; T301-C305 PolarHBondContact O-N 3.48Å; L302-C305 PolarHBondContact O-N 3.31Å; T303-C305 VanDerWaalsContact C-N 3.34Å; T303-C305 PolarHBondContact O-N 3.09Å; C305-Q307 VanDerWaalsContact C-N 3.3Å; C305-Q307 PolarHBondContact O-N 2.82Å; C305-L308 PolarHBondContact O-N 2.69Å; C305-L309 WeakPolarHBondContact O-CG 3.21Å; C305-L309 PolarHBondContact O-N 2.76Å
306G92.7Very high91.3Very high32 Ų3294.4 Ų94.433%0.3351%0.512SS..Hα-helixtrans-61.2-35.9176.100000113.5L302 T303 R310L302-G306 PolarHBondContact O-N 3.22Å; T303-G306 PolarHBondContact O-N 3.17Å; G306-R310 PolarHBondContact O-N 3.36Å; G306-R310 VanDerWaalsContact O-N 3.17Å
307Q92.2Very high91.5Very high115 Ų11593.3 Ų93.354%0.53751%0.51SS..Hα-helixtrans-68.7-42.1175-70.8174.7-6.900112.2T303 S304 C305 R310 A311T303-Q307 WeakPolarHBondContact O-CG 3.42Å; T303-Q307 PolarHBondContact O-N 3.08Å; S304-Q307 PolarHBondContact O-N 2.56Å; C305-Q307 VanDerWaalsContact C-N 3.3Å; C305-Q307 PolarHBondContact O-N 2.82Å; Q307-R310 PolarHBondContact O-N 2.91Å; Q307-A311 PolarHBondContact O-N 3.46Å
308L92.4Very high91.6Very high121 Ų12194.6 Ų94.663%0.63451%0.513SS*.Hα-helixtrans-62.5-44.5175.7-77.4166.3000111.7S304 C305 R310 A311 V312S304-L308 PolarHBondContact O-N 2.87Å; C305-L308 PolarHBondContact O-N 2.69Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 3.32Å; L308-A311 PolarHBondContact O-N 3.36Å; L308-V312 WeakPolarHBondContact O-CG2 3.26Å; L308-V312 PolarHBondContact O-N 2.88Å
309L91.5Very high91.2Very high106 Ų10693.3 Ų93.356%0.55551%0.508SS*.Hα-helixtrans-59.8-39.8176.8-72.5171.5000111.8C305 V312 M313C305-L309 WeakPolarHBondContact O-CG 3.21Å; C305-L309 PolarHBondContact O-N 2.76Å; L309-V312 PolarHBondContact O-N 3.49Å; L309-M313 WeakPolarHBondContact O-CG 3.2Å; L309-M313 PolarHBondContact O-N 3.21Å
310R92Very high90.9Very high152 Ų15288.6 Ų88.657%0.57450%0.5SS*.Hα-helixtrans-63.8-44.7175.2-167.6178.4-60.1125.44.9112.1G306 Q307 L308 V312 M313 E314G306-R310 PolarHBondContact O-N 3.36Å; G306-R310 VanDerWaalsContact O-N 3.17Å; Q307-R310 PolarHBondContact O-N 2.91Å; L308-R310 VanDerWaalsContact C-N 3.28Å; L308-R310 PolarHBondContact O-N 3.32Å; R310-V312 VanDerWaalsContact C-N 3.32Å; R310-V312 PolarHBondContact O-N 2.88Å; R310-M313 WeakPolarHBondContact O-CB 3.5Å; R310-M313 PolarHBondContact O-N 3.39Å; R310-E314 WeakPolarHBondContact O-CG 3.46Å; R310-E314 PolarHBondContact O-N 3.29Å
311A91.1Very high90.7Very high41 Ų4190.6 Ų90.634%0.33951%0.51SS..Hα-helixtrans-62.6-39.2176.700000112.1Q307 L308 E314 I315Q307-A311 PolarHBondContact O-N 3.46Å; L308-A311 PolarHBondContact O-N 3.36Å; A311-E314 PolarHBondContact O-N 2.92Å; A311-I315 VanDerWaalsContact O-CG1 3.29Å; A311-I315 WeakPolarHBondContact O-CG1 3.47Å; A311-I315 PolarHBondContact O-N 3.46Å
312V89.1Confident90.4Very high92 Ų9288.8 Ų88.856%0.55851%0.505SS*.Hα-helixtrans-64.2-41.3175.7171.30000111.3L308 L309 R310 I315 A316L308-V312 WeakPolarHBondContact O-CG2 3.26Å; L308-V312 PolarHBondContact O-N 2.88Å; L309-V312 PolarHBondContact O-N 3.49Å; R310-V312 VanDerWaalsContact C-N 3.32Å; R310-V312 PolarHBondContact O-N 2.88Å; V312-I315 PolarHBondContact O-N 3.36Å; V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 2.94Å
313M90Very high89.9Confident125 Ų12587.8 Ų87.862%0.61650%0.498SS*.Hα-helixtrans-60.7-46.2174.1-74.4178.36400111.7L309 R310 I315 A316 D317L309-M313 WeakPolarHBondContact O-CG 3.2Å; L309-M313 PolarHBondContact O-N 3.21Å; R310-M313 WeakPolarHBondContact O-CB 3.5Å; R310-M313 PolarHBondContact O-N 3.39Å; M313-I315 VanDerWaalsContact C-N 3.33Å; M313-I315 PolarHBondContact O-N 3.48Å; M313-A316 WeakPolarHBondContact O-CB 3.49Å; M313-A316 PolarHBondContact O-N 3.27Å; M313-A316 VanDerWaalsContact O-N 3.16Å; M313-D317 PolarHBondContact O-N 2.91Å
314E91.5Very high89.5Confident117 Ų11789.5 Ų89.555%0.54750%0.503SS..Hα-helixtrans-62.1-38.5177.9-70.6172-170.600112.4R310 A311 T318R310-E314 WeakPolarHBondContact O-CG 3.46Å; R310-E314 PolarHBondContact O-N 3.29Å; A311-E314 PolarHBondContact O-N 2.92Å; E314-T318 WeakPolarHBondContact O-CB 3.4Å; E314-T318 VanDerWaalsContact O-CG2 3.29Å; E314-T318 WeakPolarHBondContact O-CG2 3.45Å; E314-T318 PolarHBondContact O-N 3.44Å; E314-T318 PolarHBondContact O-OG1 3.28Å
315I91.1Very high89Confident114 Ų11489.1 Ų89.159%0.58550%0.503SS*.Hα-helixtrans-66.5-40.1174.9-68.6166000111.2A311 V312 M313 T318 S319A311-I315 VanDerWaalsContact O-CG1 3.29Å; A311-I315 WeakPolarHBondContact O-CG1 3.47Å; A311-I315 PolarHBondContact O-N 3.46Å; V312-I315 PolarHBondContact O-N 3.36Å; M313-I315 VanDerWaalsContact C-N 3.33Å; M313-I315 PolarHBondContact O-N 3.48Å; I315-T318 WeakPolarHBondContact CA-OG1 3.41Å; I315-T318 PolarHBondContact O-OG1 3.23Å; I315-S319 VanDerWaalsContact O-CB 3.23Å; I315-S319 WeakPolarHBondContact O-CB 3.26Å; I315-S319 PolarHBondContact O-N 3.37Å
316A89.3Confident88.3Confident57 Ų5788.7 Ų88.747%0.47150%0.504SS..Hα-helixtrans-64.4-44.7177.800000111.4V312 M313 S319 A320V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 2.94Å; M313-A316 WeakPolarHBondContact O-CB 3.49Å; M313-A316 PolarHBondContact O-N 3.27Å; M313-A316 VanDerWaalsContact O-N 3.16Å; A316-S319 PolarHBondContact O-N 3.45Å; A316-A320 PolarHBondContact O-N 3.37Å
317D89.1Confident87.6Confident101 Ų10194.1 Ų94.154%0.5451%0.514SS..Hα-helixtrans-63.2-48177.9-70.4-21.2000111.3M313 S319 A320 E321M313-D317 PolarHBondContact O-N 2.91Å; D317-S319 VanDerWaalsContact C-N 3.32Å; D317-S319 PolarHBondContact O-N 2.99Å; D317-A320 WeakPolarHBondContact O-CB 3.47Å; D317-A320 PolarHBondContact O-N 3.1Å; D317-E321 WeakPolarHBondContact O-CG 3.41Å; D317-E321 PolarHBondContact O-N 3.48Å
318T90.9Very high87Confident80 Ų8097.6 Ų97.649%0.49152%0.523SS..Hα-helixtrans-63.9-35.3177.451.80000112.8E314 I315 E321 A322E314-T318 WeakPolarHBondContact O-CB 3.4Å; E314-T318 VanDerWaalsContact O-CG2 3.29Å; E314-T318 WeakPolarHBondContact O-CG2 3.45Å; E314-T318 PolarHBondContact O-N 3.44Å; E314-T318 PolarHBondContact O-OG1 3.28Å; I315-T318 WeakPolarHBondContact CA-OG1 3.41Å; I315-T318 PolarHBondContact O-OG1 3.23Å; T318-E321 PolarHBondContact O-N 3.46Å; T318-A322 WeakPolarHBondContact O-CB 3.09Å; T318-A322 PolarHBondContact O-N 3.36Å
319S84.9Confident85.6Confident66 Ų6698.4 Ų98.446%0.46252%0.523SS..Hα-helixtrans-65.9-42174.3-179.30000112I315 A316 D317 A322 M323I315-S319 VanDerWaalsContact O-CB 3.23Å; I315-S319 WeakPolarHBondContact O-CB 3.26Å; I315-S319 PolarHBondContact O-N 3.37Å; A316-S319 PolarHBondContact O-N 3.45Å; D317-S319 VanDerWaalsContact C-N 3.32Å; D317-S319 PolarHBondContact O-N 2.99Å; S319-A322 PolarHBondContact O-N 3.04Å; S319-M323 WeakPolarHBondContact O-CB 3.2Å; S319-M323 PolarHBondContact O-N 3.16Å
320A87.3Confident83.9Confident54 Ų54101.8 Ų101.845%0.44654%0.536SS..Hα-helixtrans-62.3-44.4175.800000111.2A316 D317 M323 E324A316-A320 PolarHBondContact O-N 3.37Å; D317-A320 WeakPolarHBondContact O-CB 3.47Å; D317-A320 PolarHBondContact O-N 3.1Å; A320-M323 PolarHBondContact O-N 2.49Å; A320-E324 WeakPolarHBondContact O-CG 3.26Å; A320-E324 PolarHBondContact O-N 2.73Å
321E89.6Confident82.2Confident140 Ų14097.7 Ų97.765%0.65454%0.541SS*.Hα-helixtrans-61.6-43.5174.9-71.7-177.2175.400112.4D317 T318 M323 E324 A325D317-E321 WeakPolarHBondContact O-CG 3.41Å; D317-E321 PolarHBondContact O-N 3.48Å; T318-E321 PolarHBondContact O-N 3.46Å; E321-M323 PolarHBondContact O-N 3.49Å; E321-E324 PolarHBondContact O-N 3.49Å; E321-A325 WeakPolarHBondContact O-CB 3.15Å; E321-A325 PolarHBondContact O-N 3.47Å
322A85Confident80.3Confident61 Ų61101.8 Ų101.850%0.50455%0.554SS.*Hα-helixtrans-64.8-38.9177.500000112.1T318 S319 A325 A326T318-A322 WeakPolarHBondContact O-CB 3.09Å; T318-A322 PolarHBondContact O-N 3.36Å; S319-A322 PolarHBondContact O-N 3.04Å; A322-A325 PolarHBondContact O-N 2.91Å; A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.36Å
323M82.5Confident78.4Confident101 Ų101103.5 Ų103.550%0.49857%0.566SS.*Hα-helixtrans-66.6-40.6176.7-167.3-177.1-61.300111.4S319 A320 E321 A326 R327S319-M323 WeakPolarHBondContact O-CB 3.2Å; S319-M323 PolarHBondContact O-N 3.16Å; A320-M323 PolarHBondContact O-N 2.49Å; E321-M323 PolarHBondContact O-N 3.49Å; M323-A326 PolarHBondContact O-N 2.67Å; M323-R327 WeakPolarHBondContact O-CG 3.36Å; M323-R327 PolarHBondContact O-N 3.08Å
324E86.1Confident76.3Confident85 Ų85102.2 Ų102.240%0.39756%0.562SS.*Hα-helixtrans-66.6-39173.8-75.4-58.7128.500112.1A320 E321 A326 R327 R328A320-E324 WeakPolarHBondContact O-CG 3.26Å; A320-E324 PolarHBondContact O-N 2.73Å; E321-E324 PolarHBondContact O-N 3.49Å; E324-A326 PolarHBondContact O-N 3.25Å; E324-R327 PolarHBondContact O-N 3.19Å; E324-R327 IonicContact OE1-CZ 2.63Å; E324-R327 IonicContact OE1-NH1 3.12Å; E324-R327 PolarHBondContact OE1-NH1 3.11Å; E324-R328 WeakPolarHBondContact O-CG 3.41Å; E324-R328 PolarHBondContact O-N 3.21Å
325A80.6Confident74.2Confident49 Ų49102.5 Ų102.541%0.40558%0.575SS.*Hα-helixtrans-62.8-41.2173.300000112.3E321 A322 R328 Q329E321-A325 WeakPolarHBondContact O-CB 3.15Å; E321-A325 PolarHBondContact O-N 3.47Å; A322-A325 PolarHBondContact O-N 2.91Å; A325-R328 PolarHBondContact O-N 3.46Å; A325-Q329 PolarHBondContact O-N 2.74Å
326A75.4Confident71.9Confident54 Ų54108.7 Ų108.745%0.44659%0.592SS.*Hα-helixtrans-65.4-40.1175.700000112.3A322 M323 E324 R328 Q329 Q330A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.36Å; M323-A326 PolarHBondContact O-N 2.67Å; E324-A326 PolarHBondContact O-N 3.25Å; A326-R328 VanDerWaalsContact C-N 3.34Å; A326-Q329 PolarHBondContact O-N 3.02Å; A326-Q330 PolarHBondContact O-N 3.31Å; A326-Q330 VanDerWaalsContact O-N 3.08Å
327R79.3Confident69.5Low145 Ų145108.9 Ų108.955%0.54760%0.599SS.*Hα-helixtrans-61.9-40.7173.4-77.3176.6177.1170.3-1.4112M323 E324 Q330 G331M323-R327 WeakPolarHBondContact O-CG 3.36Å; M323-R327 PolarHBondContact O-N 3.08Å; E324-R327 PolarHBondContact O-N 3.19Å; E324-R327 IonicContact OE1-CZ 2.63Å; E324-R327 IonicContact OE1-NH1 3.12Å; E324-R327 PolarHBondContact OE1-NH1 3.11Å; R327-Q330 PolarHBondContact O-N 2.94Å; R327-G331 PolarHBondContact O-N 3.46Å
328R77.8Confident67.3Low189 Ų189109.3 Ų109.371%0.71361%0.61SS**Hα-helixtrans-62.6-40.6174.6-70.2177.6-169.8-160.74.8112.1E324 A325 A326 Q330 G331E324-R328 WeakPolarHBondContact O-CG 3.41Å; E324-R328 PolarHBondContact O-N 3.21Å; A325-R328 PolarHBondContact O-N 3.46Å; A326-R328 VanDerWaalsContact C-N 3.34Å; R328-Q330 PolarHBondContact O-N 3.42Å; R328-G331 PolarHBondContact O-N 3.05Å; R328-G331 VanDerWaalsContact O-N 3.16Å
329Q62.9Low65.3Low138 Ų138112.2 Ų112.265%0.64562%0.623SS**Hα-helixtrans-67.9-28.9176.4-73.5-170.90.800114.1A325 A326 G331A325-Q329 PolarHBondContact O-N 2.74Å; A326-Q329 PolarHBondContact O-N 3.02Å; Q329-G331 VanDerWaalsContact C-N 3.29Å
330Q57.4Low63.5Low177 Ų177116 Ų11683%0.82764%0.637SS**Hα-helixtrans-71.8-21.9172-83.6-174.1-10.200113.3A326 R327 R328A326-Q330 PolarHBondContact O-N 3.31Å; A326-Q330 VanDerWaalsContact O-N 3.08Å; R327-Q330 PolarHBondContact O-N 2.94Å; R328-Q330 PolarHBondContact O-N 3.42Å
331G55.2Low61.7Low66 Ų66118.2 Ų118.268%0.6865%0.65SS**Hα-helixtrans-83.9-15.317800000115R327 R328 Q329R327-G331 PolarHBondContact O-N 3.46Å; R328-G331 PolarHBondContact O-N 3.05Å; R328-G331 VanDerWaalsContact O-N 3.16Å; Q329-G331 VanDerWaalsContact C-N 3.29Å
332E51.6Low60Low127 Ų127115.5 Ų115.559%0.59366%0.659SS**SBendtrans-105.6128.2178.9-76.6-175.615600111.4N334E332-N334 VanDerWaalsContact C-N 3.31Å; E332-N334 PolarHBondContact O-N 2.89Å
333P49.8Very low58.8Low127 Ų127116.7 Ų116.783%0.82566%0.656SS**  trans-75.284.4179.231.2-31.8000109.7C335P333-C335 PolarHBondContact O-N 3.37Å
334N45.5Very low58.1Low98 Ų98115 Ų11552%0.52466%0.655SS.*  trans-80.1101.3177.1-82.1-26.9000111.3E332 W336E332-N334 VanDerWaalsContact C-N 3.31Å; E332-N334 PolarHBondContact O-N 2.89Å; N334-W336 PolarHBondContact O-N 3.38Å
335C47.1Very low56.8Low123 Ų123117.6 Ų117.683%0.83167%0.67SS**  trans-63.494.8166.4-82.20000110.9P333 G337P333-C335 PolarHBondContact O-N 3.37Å; C335-G337 PolarHBondContact O-N 2.88Å
336W43.6Very low56.1Low245 Ų245118.1 Ų118.193%0.92868%0.675SS**  trans-88.588.8158.6-70.587.4000108.5N334N334-W336 PolarHBondContact O-N 3.38Å
337G37.7Very low56Low61 Ų61118.8 Ų118.863%0.62967%0.673SS**  trans-121.8117.3175.300000111.2C335C335-G337 PolarHBondContact O-N 2.88Å
338S43.1Very low55.6Low109 Ų109118.4 Ų118.476%0.76267%0.672SS**SBend-120.9106.4126-167.80000107.2
339N48.7Very low55.5Low142 Ų142113.9 Ų113.976%0.75966%0.661SS**SBendtrans80.260.6163.8-50.5-14.8000117.8
340N46.5Very low56.1Low144 Ų144112.4 Ų112.477%0.7766%0.657SS**SBend-167.2138.4125.4-99.1-17.3000109.6G342N340-G342 PolarHBondContact O-N 2.75Å
341S49.7Very low57.2Low102 Ų102107.6 Ų107.671%0.71364%0.635SS**  trans-51.4131.3-177.859.40000111I343S341-I343 WeakPolarHBondContact O-CG1 3.25Å; S341-I343 PolarHBondContact O-N 3.32Å; S341-I343 VanDerWaalsContact O-N 3.08Å
342G55.5Low58.3Low82 Ų82109.2 Ų109.285%0.84563%0.631SS**  trans-49.5111.8-17400000112.9N340N340-G342 PolarHBondContact O-N 2.75Å
343I59.8Low59.8Low87 Ų87107 Ų10745%0.44663%0.626SS.*  trans-113.9125.2166.7-26.9-179.1000105.4S341 T347S341-I343 WeakPolarHBondContact O-CG1 3.25Å; S341-I343 PolarHBondContact O-N 3.32Å; S341-I343 VanDerWaalsContact O-N 3.08Å; I343-T347 VanDerWaalsContact CG2-CB 3.46Å; I343-T347 HydrophobicContact CG2-CG2 3.4Å
344S66.9Low61.3Low66 Ų66107.2 Ų107.246%0.46262%0.616SS.*  trans-61.1152.9-176.984.30000110.6A346 T347 R348S344-A346 PolarHBondContact O-N 3.35Å; S344-A346 VanDerWaalsContact O-N 3.15Å; S344-A346 PolarHBondContact OG-N 3.18Å; S344-T347 WeakPolarHBondContact O-CB 3.48Å; S344-T347 PolarHBondContact O-N 3.3Å; S344-T347 PolarHBondContact OG-N 2.96Å; S344-T347 PolarHBondContact OG-OG1 2.89Å; S344-R348 PolarHBondContact O-N 3.48Å; S344-R348 VanDerWaalsContact O-N 3.1Å
345L57.9Low63.1Low138 Ų138108.8 Ų108.872%0.72362%0.619SS**Hα-helixtrans-52.7-36.2175.1-177.367000111.6T347 R348 I349L345-T347 PolarHBondContact O-N 3.18Å; L345-R348 PolarHBondContact O-N 2.98Å; L345-I349 HydrophobicContact CG-CD1 4.11Å; L345-I349 WeakPolarHBondContact O-CG1 3.33Å; L345-I349 PolarHBondContact O-N 3.29Å
346A67.8Low64.5Low60 Ų60110.7 Ų110.750%0.49661%0.609SS.*Hα-helixtrans-61.4-43.6175.700000111.9S344 R348 I349 D350S344-A346 PolarHBondContact O-N 3.35Å; S344-A346 VanDerWaalsContact O-N 3.15Å; S344-A346 PolarHBondContact OG-N 3.18Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 3.08Å; A346-I349 PolarHBondContact O-N 3.1Å; A346-D350 PolarHBondContact O-N 3.46Å
347T72Confident66.2Low68 Ų68105.5 Ų105.542%0.41759%0.593SS.*Hα-helixtrans-67.7-34178.8-400000112.1I343 S344 L345 D350 E351I343-T347 VanDerWaalsContact CG2-CB 3.46Å; I343-T347 HydrophobicContact CG2-CG2 3.4Å; S344-T347 WeakPolarHBondContact O-CB 3.48Å; S344-T347 PolarHBondContact O-N 3.3Å; S344-T347 PolarHBondContact OG-N 2.96Å; S344-T347 PolarHBondContact OG-OG1 2.89Å; L345-T347 PolarHBondContact O-N 3.18Å; T347-D350 PolarHBondContact O-N 3.28Å; T347-E351 PolarHBondContact O-N 3.49Å
348R71.4Confident68.4Low138 Ų138107.4 Ų107.452%0.52159%0.588SS.*Hα-helixtrans-65.3-41.1172.1-83.1-76-153.8-174.25.5112S344 L345 A346 E351 V352S344-R348 PolarHBondContact O-N 3.48Å; S344-R348 VanDerWaalsContact O-N 3.1Å; L345-R348 PolarHBondContact O-N 2.98Å; A346-R348 VanDerWaalsContact C-N 3.34Å; A346-R348 PolarHBondContact O-N 3.08Å; R348-E351 PolarHBondContact O-N 3.09Å; R348-V352 WeakPolarHBondContact O-CG2 3.43Å; R348-V352 PolarHBondContact O-N 2.76Å
349I74.6Confident69.8Low93 Ų93107.5 Ų107.548%0.47758%0.579SS.*Hα-helixtrans-65.3-41.6177.6-70.9168.8000110.4L345 A346 E351 V352 T353L345-I349 HydrophobicContact CG-CD1 4.11Å; L345-I349 WeakPolarHBondContact O-CG1 3.33Å; L345-I349 PolarHBondContact O-N 3.29Å; A346-I349 PolarHBondContact O-N 3.1Å; I349-E351 PolarHBondContact O-N 3.38Å; I349-V352 PolarHBondContact O-N 3.44Å; I349-T353 WeakPolarHBondContact O-CB 3.25Å; I349-T353 PolarHBondContact O-N 3.47Å; I349-T353 PolarHBondContact O-OG1 3.09Å
350D77.3Confident71Confident107 Ų107102.7 Ų102.757%0.57256%0.555SS**Hα-helixtrans-63.5-40.6174.8-79.3-23.6000112A346 T347 V352 T353 Q354A346-D350 PolarHBondContact O-N 3.46Å; T347-D350 PolarHBondContact O-N 3.28Å; D350-V352 PolarHBondContact O-N 3.12Å; D350-T353 PolarHBondContact O-N 2.93Å; D350-Q354 WeakPolarHBondContact O-CB 3.42Å; D350-Q354 PolarHBondContact O-N 2.86Å
351E80.3Confident72.4Confident77 Ų77100 Ų10036%0.3654%0.541SS..Hα-helixtrans-61.2-42.9176.4-129.1-166.416100112.2T347 R348 I349 K355T347-E351 PolarHBondContact O-N 3.49Å; R348-E351 PolarHBondContact O-N 3.09Å; I349-E351 PolarHBondContact O-N 3.38Å; E351-K355 WeakPolarHBondContact O-CG 3.42Å; E351-K355 PolarHBondContact O-N 3.41Å; E351-K355 IonicContact OE1-NZ 3.24Å
352V77.7Confident73.4Confident99 Ų9998.3 Ų98.360%0.653%0.527SS*.Hα-helixtrans-67.5-42177.1171.20000110.6R348 I349 D350 Q354 K355 Y356R348-V352 WeakPolarHBondContact O-CG2 3.43Å; R348-V352 PolarHBondContact O-N 2.76Å; I349-V352 PolarHBondContact O-N 3.44Å; D350-V352 PolarHBondContact O-N 3.12Å; V352-Q354 VanDerWaalsContact C-N 3.33Å; V352-Q354 PolarHBondContact O-N 3.08Å; V352-K355 PolarHBondContact O-N 3Å; V352-Y356 WeakPolarHBondContact O-CB 3.23Å; V352-Y356 PolarHBondContact O-N 3.09Å
353T82.4Confident73.6Confident80 Ų8099.2 Ų99.249%0.49151%0.512SS..Hα-helixtrans-63.2-41.2178-56.90000111.1I349 D350 Y356 K357I349-T353 WeakPolarHBondContact O-CB 3.25Å; I349-T353 PolarHBondContact O-N 3.47Å; I349-T353 PolarHBondContact O-OG1 3.09Å; D350-T353 PolarHBondContact O-N 2.93Å; T353-Y356 PolarHBondContact O-N 2.76Å; T353-K357 WeakPolarHBondContact O-CB 3.48Å; T353-K357 PolarHBondContact O-N 3.24Å
354Q81.4Confident73.5Confident132 Ų132101.8 Ų101.862%0.61752%0.521SS*.Hα-helixtrans-67.5-40.8177.6-164.9174.86.400111.9D350 V352 K357 I358D350-Q354 WeakPolarHBondContact O-CB 3.42Å; D350-Q354 PolarHBondContact O-N 2.86Å; V352-Q354 VanDerWaalsContact C-N 3.33Å; V352-Q354 PolarHBondContact O-N 3.08Å; Q354-K357 PolarHBondContact O-N 3.47Å; Q354-I358 WeakPolarHBondContact O-CG1 3.27Å; Q354-I358 PolarHBondContact O-N 2.91Å
355K83.6Confident72.9Confident132 Ų132107.5 Ų107.557%0.57453%0.533SS*.Hα-helixtrans-64.3-40.8174.7-75.7176.2-178.81680112.3E351 V352 K357 I358 L359E351-K355 WeakPolarHBondContact O-CG 3.42Å; E351-K355 PolarHBondContact O-N 3.41Å; E351-K355 IonicContact OE1-NZ 3.24Å; V352-K355 PolarHBondContact O-N 3Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 3.46Å; K355-I358 PolarHBondContact O-N 3.11Å; K355-L359 PolarHBondContact O-N 2.98Å
356Y75.8Confident72.7Confident162 Ų162108.6 Ų108.664%0.63553%0.534SS*.Hα-helixtrans-62.3-41.1175.4-173.8-96.7000111.6V352 T353 L359 T360V352-Y356 WeakPolarHBondContact O-CB 3.23Å; V352-Y356 PolarHBondContact O-N 3.09Å; T353-Y356 PolarHBondContact O-N 2.76Å; Y356-L359 WeakPolarHBondContact O-CB 3.37Å; Y356-L359 PolarHBondContact O-N 3.5Å; Y356-T360 HydrophobicContact CE1-CG2 4.1Å; Y356-T360 PolarHBondContact O-N 2.89Å; Y356-T360 PolarHBondContact O-OG1 3.32Å
357K80.3Confident72Confident136 Ų136111.5 Ų111.559%0.59155%0.546SS*.Hα-helixtrans-64.4-42.3178.1-153.1174.4-173.2178.80112.4T353 Q354 K355 L359 T360 D361T353-K357 WeakPolarHBondContact O-CB 3.48Å; T353-K357 PolarHBondContact O-N 3.24Å; Q354-K357 PolarHBondContact O-N 3.47Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 3.46Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 PolarHBondContact O-N 3.32Å; K357-T360 WeakPolarHBondContact CA-OG1 3.42Å; K357-T360 PolarHBondContact O-N 3.46Å; K357-T360 PolarHBondContact O-OG1 3.12Å; K357-D361 WeakPolarHBondContact O-CB 3.41Å; K357-D361 VanDerWaalsContact O-CG 3.26Å; K357-D361 PolarHBondContact O-N 2.92Å
358I84.1Confident70.7Confident101 Ų101122 Ų12252%0.51858%0.578SS.*Hα-helixtrans-61.2-44.8173.3-66.8164.6000110.2Q354 K355 T360 D361 T362Q354-I358 WeakPolarHBondContact O-CG1 3.27Å; Q354-I358 PolarHBondContact O-N 2.91Å; K355-I358 PolarHBondContact O-N 3.11Å; I358-T360 VanDerWaalsContact C-N 3.35Å; I358-T360 PolarHBondContact O-N 3.16Å; I358-D361 PolarHBondContact O-N 2.89Å; I358-T362 PolarHBondContact O-N 3.46Å; I358-T362 PolarHBondContact O-OG1 3.24Å
359L72.9Confident70.7Confident111 Ų111121.3 Ų121.358%0.58158%0.581SS**Hα-helixtrans-61.7-44180-152.296.4000111.6K355 Y356 K357 T362 L363K355-L359 PolarHBondContact O-N 2.98Å; Y356-L359 WeakPolarHBondContact O-CB 3.37Å; Y356-L359 PolarHBondContact O-N 3.5Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 PolarHBondContact O-N 3.32Å; L359-T362 PolarHBondContact O-N 3.36Å; L359-L363 PolarHBondContact O-N 3.1Å; L359-L363 VanDerWaalsContact O-N 3.09Å
360T72.4Confident70.5Confident41 Ų41122.7 Ų122.725%0.25259%0.586SS.*Hα-helixtrans-67.1-40.817723.40000111.9Y356 K357 I358 T362 L363 H364Y356-T360 HydrophobicContact CE1-CG2 4.1Å; Y356-T360 PolarHBondContact O-N 2.89Å; Y356-T360 PolarHBondContact O-OG1 3.32Å; K357-T360 WeakPolarHBondContact CA-OG1 3.42Å; K357-T360 PolarHBondContact O-N 3.46Å; K357-T360 PolarHBondContact O-OG1 3.12Å; I358-T360 VanDerWaalsContact C-N 3.35Å; I358-T360 PolarHBondContact O-N 3.16Å; T360-T362 VanDerWaalsContact C-N 3.27Å; T360-T362 PolarHBondContact O-N 3.3Å; T360-L363 PolarHBondContact O-N 3.38Å; T360-H364 PolarHBondContact O-N 2.95Å; T360-H364 PolarHBondContact O-ND1 3.39Å
361D76.1Confident70.1Confident88 Ų88123.6 Ų123.647%0.47159%0.587SS.*Hα-helixtrans-68.2-25.4176.5-73.2-18.6000113.1K357 I358K357-D361 WeakPolarHBondContact O-CB 3.41Å; K357-D361 VanDerWaalsContact O-CG 3.26Å; K357-D361 PolarHBondContact O-N 2.92Å; I358-D361 PolarHBondContact O-N 2.89Å
362T71Confident69.5Low67 Ų67126.4 Ų126.441%0.41160%0.601SS.*Hα-helixtrans-75.1-43.8173.9-36.30000110.5I358 L359 T360 H364 R365 E366I358-T362 PolarHBondContact O-N 3.46Å; I358-T362 PolarHBondContact O-OG1 3.24Å; L359-T362 PolarHBondContact O-N 3.36Å; T360-T362 VanDerWaalsContact C-N 3.27Å; T360-T362 PolarHBondContact O-N 3.3Å; T362-H364 PolarHBondContact O-N 3.42Å; T362-R365 PolarHBondContact O-N 3.23Å; T362-R365 VanDerWaalsContact O-N 3.13Å; T362-E366 PolarHBondContact O-N 2.69Å
363L59.6Low69Low101 Ų101128.1 Ų128.153%0.52960%0.601SS.*Hα-helixtrans-60.3-39.3175.5-99.8144.8000113L359 T360 R365 T367L359-L363 PolarHBondContact O-N 3.1Å; L359-L363 VanDerWaalsContact O-N 3.09Å; T360-L363 PolarHBondContact O-N 3.38Å; L363-R365 VanDerWaalsContact C-N 3.27Å; L363-R365 PolarHBondContact O-N 3.34Å; L363-T367 PolarHBondContact O-OG1 3.48Å
364H57.3Low68.1Low141 Ų141131.3 Ų131.365%0.65361%0.608SS**THydrogen-bonded Turntrans-73.5-17.5178-73.479.8000113.6T360 T362T360-H364 PolarHBondContact O-N 2.95Å; T360-H364 PolarHBondContact O-ND1 3.39Å; T362-H364 PolarHBondContact O-N 3.42Å
365R55.6Low67.1Low185 Ų185131.2 Ų131.270%0.69861%0.607SS**THydrogen-bonded Turntrans-88.1-23.8179.1-156.4-175.6-42.8-137.1-1.6113T362 L363 T367T362-R365 PolarHBondContact O-N 3.23Å; T362-R365 VanDerWaalsContact O-N 3.13Å; L363-R365 VanDerWaalsContact C-N 3.27Å; L363-R365 PolarHBondContact O-N 3.34Å; R365-T367 VanDerWaalsContact C-N 3.29Å
366E52.8Low65.8Low161 Ų161131.2 Ų131.275%0.75261%0.61SS**THydrogen-bonded Turntrans-82.3-5.2173.7-71.2-175.116000113.3T362T362-E366 PolarHBondContact O-N 2.69Å
367T53.6Low65Low121 Ų121128.6 Ų128.674%0.74261%0.608SS**THydrogen-bonded Turntrans-107.618.2-178.1-32.50000113.3L363 R365L363-T367 PolarHBondContact O-OG1 3.48Å; R365-T367 VanDerWaalsContact C-N 3.29Å
368R44.5Very low63.6Low290 Ų290127.9 Ų127.9100%1.09461%0.609SS**  trans-134.60172.4-170.5-169.2-87.9180-6.4108.8

Retrieved 368 of 368 residues in 103.3 ms (Link to these results)