A0A087X9B8_POEFO Loading...

SS18 subunit of BAF chromatin remodeling complex

AlphaFold DB , UniProt , Accession A0A087X9B8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low40.9Very low238 Ų238155.3 Ų155.3100%1.17281%0.81SS**  0118.90-71.5171.7177.400107.5V3M1-V3 PolarHBondContact O-N 3.23Å
2S35.6Very low41.2Very low129 Ų129161 Ų16190%0.90282%0.824SS**  trans-77115.1178.9-57.90000109.1A4S2-A4 PolarHBondContact O-N 3.39Å; S2-A4 VanDerWaalsContact O-N 3.09Å
3V41.9Very low42.1Very low131 Ų131152 Ų15279%0.79480%0.795SS**  trans-75.296.5172.9-740000108.8M1 F5M1-V3 PolarHBondContact O-N 3.23Å; V3-F5 PolarHBondContact O-N 2.95Å; V3-F5 VanDerWaalsContact O-N 3.15Å
4A38Very low43Very low96 Ų96151.6 Ų151.679%0.79379%0.794SS**  trans-67.6108.1168.100000108.2S2 A6S2-A4 PolarHBondContact O-N 3.39Å; S2-A4 VanDerWaalsContact O-N 3.09Å; A4-A6 PolarHBondContact O-N 3.01Å
5F37.5Very low44.7Very low177 Ų177146.7 Ų146.778%0.77677%0.768SS**  trans-64.198172-115-98.2000108.6V3 P7V3-F5 PolarHBondContact O-N 2.95Å; V3-F5 VanDerWaalsContact O-N 3.15Å; F5-P7 WeakPolarHBondContact O-CD 3.49Å
6A36Very low47.2Very low85 Ų85141.9 Ų141.970%0.70275%0.747SS**  trans-72.1118.8168.600000108.3A4 H8A4-A6 PolarHBondContact O-N 3.01Å; A6-H8 PolarHBondContact O-N 3.15Å
7P44.4Very low49.4Very low113 Ų113139.8 Ų139.873%0.73474%0.744SS**  trans-68.5119.8175.327.8-30.7000108F5 R9F5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-R9 PolarHBondContact O-N 3.32Å
8H41.6Very low51.7Low140 Ų140136.3 Ų136.365%0.64874%0.737SS**  trans-64.199172.5-163.472.8000108.5A6 Q10A6-H8 PolarHBondContact O-N 3.15Å; H8-Q10 PolarHBondContact NE2-OE1 3.15Å; H8-Q10 PolarHBondContact O-N 3.23Å
9R45.6Very low53.7Low241 Ų241130.7 Ų130.791%0.90972%0.715SS**  trans-80.346-170.6-149.7-178.8-174-169.63.1112.3P7P7-R9 PolarHBondContact O-N 3.32Å
10Q43.9Very low55.6Low145 Ų145126.7 Ų126.768%0.67869%0.692SS**  trans-12586.1174.5-76-169.8-28.600109.3H8H8-Q10 PolarHBondContact NE2-OE1 3.15Å; H8-Q10 PolarHBondContact O-N 3.23Å
11R45.6Very low57.5Low213 Ų213125.4 Ų125.480%0.80468%0.681SS**  trans-172.567.9138.8-76.5-127-152.4-170.711.5107.3G13R11-G13 PolarHBondContact O-N 3.27Å
12K44.4Very low60.1Low224 Ų224120.9 Ų120.997%0.97466%0.655SS**  trans-81.357.8162.8-151.1177.9-176.5-166.30107.4
13G52.7Low63Low44 Ų44116 Ų11645%0.45462%0.619SS.*SBendtrans-108.4134.9166.500000105.5R11 I15R11-G13 PolarHBondContact O-N 3.27Å; G13-I15 PolarHBondContact O-N 3.36Å
14D54.4Low65.5Low146 Ų146113.1 Ų113.178%0.78160%0.598SS**  trans-38.1126-168.4-55-74.1000112.4T16D14-T16 HydrophobicContact CB-CG2 4.38Å; D14-T16 PolarHBondContact O-N 3.11Å
15I69.3Low68.4Low78 Ų78112.1 Ų112.140%0.458%0.58SS.*  trans-63.191.5174.8-66.9158.6000106.2G13 I20 I63G13-I15 PolarHBondContact O-N 3.36Å; I15-I20 HydrophobicContact CG2-CD1 3.83Å; I15-I20 HydrophobicContact CG2-CG1 4.42Å; I15-I63 HydrophobicContact CD1-CG1 4.07Å; I15-I63 HydrophobicContact CD1-CG2 4.24Å; I15-I63 HydrophobicContact CG1-CD1 4.15Å; I15-I63 HydrophobicContact CG1-CG1 4.03Å; I15-I63 HydrophobicContact CG1-CG2 4.38Å; I15-I63 HydrophobicContact CG2-CD1 4.23Å; I15-I63 HydrophobicContact CG2-CG1 4.41Å; I15-I63 HydrophobicContact CG2-CG2 3.41Å; I15-I63 VanDerWaalsContact CG2-CG2 3.41Å
16T83.7Confident71.2Confident70 Ų70106.2 Ų106.243%0.42956%0.555SS.*  trans-90.5136.8179.949.80000108.8D14 A18 G19 I20D14-T16 HydrophobicContact CB-CG2 4.38Å; D14-T16 PolarHBondContact O-N 3.11Å; T16-A18 PolarHBondContact O-N 3.23Å; T16-A18 VanDerWaalsContact O-N 3.15Å; T16-G19 PolarHBondContact O-N 3.43Å; T16-G19 PolarHBondContact OG1-N 3.08Å; T16-I20 PolarHBondContact O-N 3.44Å; T16-I20 VanDerWaalsContact O-N 3.12Å
17P86.1Confident74.1Confident107 Ų107102.6 Ų102.670%0.69552%0.523SS*.Hα-helixtrans-53-34.3172.4-27.734.8000112.7I20 Q21P17-I20 PolarHBondContact O-N 3.21Å; P17-Q21 PolarHBondContact O-N 3.19Å
18A89.3Confident76.7Confident76 Ų76101.7 Ų101.763%0.62851%0.513SS*.Hα-helixtrans-64.1-39.6174.800000113.2T16 Q21 K22T16-A18 PolarHBondContact O-N 3.23Å; T16-A18 VanDerWaalsContact O-N 3.15Å; A18-Q21 PolarHBondContact O-N 3.04Å; A18-K22 PolarHBondContact O-N 3.2Å
19G90.8Very high79.4Confident30 Ų30101 Ų10131%0.30951%0.51SS..Hα-helixtrans-67.1-37.8175.400000112.5T16 K22 L23T16-G19 PolarHBondContact O-N 3.43Å; T16-G19 PolarHBondContact OG1-N 3.08Å; G19-K22 PolarHBondContact O-N 3.37Å; G19-L23 WeakPolarHBondContact O-CG 3.38Å; G19-L23 PolarHBondContact O-N 2.92Å; G19-L23 VanDerWaalsContact O-N 3.17Å
20I92.4Very high81.8Confident50 Ų5090 Ų9026%0.25647%0.469SS..Hα-helixtrans-63.4-46.9173.8-64170.6000110.3I15 T16 P17 K22 L23 L24 L60 I63I15-I20 HydrophobicContact CG2-CD1 3.83Å; I15-I20 HydrophobicContact CG2-CG1 4.42Å; T16-I20 PolarHBondContact O-N 3.44Å; T16-I20 VanDerWaalsContact O-N 3.12Å; P17-I20 PolarHBondContact O-N 3.21Å; I20-K22 VanDerWaalsContact C-N 3.33Å; I20-K22 PolarHBondContact O-N 3.35Å; I20-L23 WeakPolarHBondContact O-CB 3.46Å; I20-L23 PolarHBondContact O-N 3.39Å; I20-L23 VanDerWaalsContact O-N 3.14Å; I20-L24 HydrophobicContact CG2-CD1 4.32Å; I20-L24 WeakPolarHBondContact O-CG 3.26Å; I20-L24 PolarHBondContact O-N 3.27Å; I20-L60 HydrophobicContact CG2-CD2 3.85Å; I20-I63 HydrophobicContact CD1-CG2 4.11Å
21Q94.7Very high84.4Confident100 Ų10086.9 Ų86.947%0.46746%0.456SS..Hα-helixtrans-59.7-44.6178.5-171.859.755.700111.7P17 A18 L23 L24 D25P17-Q21 PolarHBondContact O-N 3.19Å; A18-Q21 PolarHBondContact O-N 3.04Å; Q21-L23 VanDerWaalsContact C-N 3.26Å; Q21-L23 PolarHBondContact O-N 3.19Å; Q21-L24 WeakPolarHBondContact O-CB 3.42Å; Q21-L24 PolarHBondContact O-N 3.09Å; Q21-D25 PolarHBondContact NE2-OD1 3.33Å; Q21-D25 VanDerWaalsContact O-CG 3.28Å; Q21-D25 PolarHBondContact O-N 3.42Å
22K94.8Very high86.9Confident144 Ų14482.9 Ų82.963%0.62645%0.446SS*.Hα-helixtrans-56.4-41.9176.2-172.9-174.2177.5-168.20112A18 G19 I20 D25 E26A18-K22 PolarHBondContact O-N 3.2Å; G19-K22 PolarHBondContact O-N 3.37Å; I20-K22 VanDerWaalsContact C-N 3.33Å; I20-K22 PolarHBondContact O-N 3.35Å; K22-D25 PolarHBondContact O-N 3.22Å; K22-E26 VanDerWaalsContact O-CB 3.29Å; K22-E26 WeakPolarHBondContact O-CB 3.29Å; K22-E26 PolarHBondContact O-N 2.95Å
23L95.1Very high89.3Confident25 Ų2574.5 Ų74.513%0.13142%0.415CS..Hα-helixtrans-66.9-36.5177.4-74.9161.6000112.5G19 I20 Q21 E26 N27 N56 Y59 L60G19-L23 WeakPolarHBondContact O-CG 3.38Å; G19-L23 PolarHBondContact O-N 2.92Å; G19-L23 VanDerWaalsContact O-N 3.17Å; I20-L23 WeakPolarHBondContact O-CB 3.46Å; I20-L23 PolarHBondContact O-N 3.39Å; I20-L23 VanDerWaalsContact O-N 3.14Å; Q21-L23 VanDerWaalsContact C-N 3.26Å; Q21-L23 PolarHBondContact O-N 3.19Å; L23-E26 PolarHBondContact O-N 3.43Å; L23-N27 WeakPolarHBondContact O-CB 3.44Å; L23-N27 PolarHBondContact O-N 3.35Å; L23-N27 PolarHBondContact O-ND2 3.15Å; L23-N27 PolarHBondContact O-OD1 2.98Å; L23-N56 HydrophobicContact CD2-CB 4.12Å; L23-Y59 HydrophobicContact CD1-CD1 3.39Å; L23-Y59 HydrophobicContact CD1-CE1 3.42Å; L23-Y59 VanDerWaalsContact CD1-CE1 3.42Å; L23-L60 HydrophobicContact CB-CD1 4.43Å; L23-L60 HydrophobicContact CB-CD2 4.2Å; L23-L60 HydrophobicContact CB-CG 4.45Å; L23-L60 HydrophobicContact CD1-CD2 4.19Å
24L96.3Very high91.4Very high71 Ų7173 Ų7337%0.37240%0.397SS..Hα-helixtrans-66-42.3174.4-65.7174.4000111.3I20 Q21 N27 N28 L60I20-L24 HydrophobicContact CG2-CD1 4.32Å; I20-L24 WeakPolarHBondContact O-CG 3.26Å; I20-L24 PolarHBondContact O-N 3.27Å; Q21-L24 WeakPolarHBondContact O-CB 3.42Å; Q21-L24 PolarHBondContact O-N 3.09Å; L24-N27 PolarHBondContact O-N 3.04Å; L24-N28 PolarHBondContact O-N 3.07Å; L24-N28 PolarHBondContact O-ND2 3.18Å; L24-L60 HydrophobicContact CD2-CD1 3.8Å
25D97Very high93.4Very high76 Ų7672.2 Ų72.241%0.40639%0.39SS..Hα-helixtrans-65.8-40.8176.7-60.4-20.7000111.1Q21 K22 N28 Q29Q21-D25 PolarHBondContact NE2-OD1 3.33Å; Q21-D25 VanDerWaalsContact O-CG 3.28Å; Q21-D25 PolarHBondContact O-N 3.42Å; K22-D25 PolarHBondContact O-N 3.22Å; D25-N28 WeakPolarHBondContact O-CB 3.47Å; D25-N28 PolarHBondContact O-N 3.24Å; D25-Q29 WeakPolarHBondContact O-CG 3.46Å; D25-Q29 PolarHBondContact O-N 2.68Å; D25-Q29 VanDerWaalsContact O-N 3.08Å
26E96.9Very high94.7Very high52 Ų5271.8 Ų71.824%0.24339%0.389CS..Hα-helixtrans-62.7-43.2174.1-169.8-179.3145.200111.2K22 L23 N28 Q29 L30 N56K22-E26 VanDerWaalsContact O-CB 3.29Å; K22-E26 WeakPolarHBondContact O-CB 3.29Å; K22-E26 PolarHBondContact O-N 2.95Å; L23-E26 PolarHBondContact O-N 3.43Å; E26-N28 VanDerWaalsContact C-N 3.31Å; E26-N28 PolarHBondContact O-N 3.02Å; E26-Q29 PolarHBondContact O-N 3.06Å; E26-Q29 VanDerWaalsContact O-N 3.15Å; E26-L30 HydrophobicContact CG-CD1 4.18Å; E26-L30 HydrophobicContact CG-CG 4.47Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 VanDerWaalsContact O-CG 3.28Å; E26-L30 WeakPolarHBondContact O-CG 3.33Å; E26-L30 PolarHBondContact O-N 3.46Å; E26-N56 PolarHBondContact OE1-ND2 3.24Å; E26-N56 VanDerWaalsContact OE1-ND2 3.09Å
27N97.7Very high95.3Very high9 Ų969.9 Ų69.95%0.04837%0.374CS..Hα-helixtrans-60.3-41.4175.2-71.5-10.9000112L23 L24 Q29 L30 I31 L53 N56 L60L23-N27 WeakPolarHBondContact O-CB 3.44Å; L23-N27 PolarHBondContact O-N 3.35Å; L23-N27 PolarHBondContact O-ND2 3.15Å; L23-N27 PolarHBondContact O-OD1 2.98Å; L24-N27 PolarHBondContact O-N 3.04Å; N27-Q29 VanDerWaalsContact C-N 3.32Å; N27-Q29 PolarHBondContact O-N 3.09Å; N27-L30 PolarHBondContact O-N 2.9Å; N27-I31 WeakPolarHBondContact O-CD1 3.47Å; N27-I31 VanDerWaalsContact O-CG1 3.23Å; N27-I31 WeakPolarHBondContact O-CG1 3.01Å; N27-I31 PolarHBondContact O-N 3.24Å; N27-L53 HydrophobicContact CB-CD1 3.74Å; N27-N56 WeakPolarHBondContact OD1-CB 3.5Å; N27-N56 PolarHBondContact OD1-ND2 3.38Å; N27-L60 WeakPolarHBondContact ND2-CD1 3.45Å
28N98.1Very high95.7Very high95 Ų9570.4 Ų70.451%0.50837%0.368SS..Hα-helixtrans-62-39.6175.6-82.1-73.7000112.1L24 D25 E26 Q32L24-N28 PolarHBondContact O-N 3.07Å; L24-N28 PolarHBondContact O-ND2 3.18Å; D25-N28 WeakPolarHBondContact O-CB 3.47Å; D25-N28 PolarHBondContact O-N 3.24Å; E26-N28 VanDerWaalsContact C-N 3.31Å; E26-N28 PolarHBondContact O-N 3.02Å; N28-Q32 WeakPolarHBondContact O-CG 3.38Å; N28-Q32 PolarHBondContact O-N 3.39Å; N28-Q32 PolarHBondContact O-NE2 3.47Å
29Q97.8Very high96Very high125 Ų12571.2 Ų71.258%0.58437%0.369SS*.Hα-helixtrans-68.6-43.6175.5-70.7173.250.200111.7D25 E26 N27 I31 Q32 C33D25-Q29 WeakPolarHBondContact O-CG 3.46Å; D25-Q29 PolarHBondContact O-N 2.68Å; D25-Q29 VanDerWaalsContact O-N 3.08Å; E26-Q29 PolarHBondContact O-N 3.06Å; E26-Q29 VanDerWaalsContact O-N 3.15Å; N27-Q29 VanDerWaalsContact C-N 3.32Å; N27-Q29 PolarHBondContact O-N 3.09Å; Q29-I31 PolarHBondContact O-N 3.46Å; Q29-Q32 PolarHBondContact O-N 3.08Å; Q29-C33 PolarHBondContact O-N 3.21Å
30L97.6Very high96.1Very high9 Ų975.5 Ų75.55%0.04738%0.379CS..Hα-helixtrans-60.5-43.8177.9-71.4170.6000111.5E26 N27 Q32 C33 I34 Y49 M52 L53E26-L30 HydrophobicContact CG-CD1 4.18Å; E26-L30 HydrophobicContact CG-CG 4.47Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 VanDerWaalsContact O-CG 3.28Å; E26-L30 WeakPolarHBondContact O-CG 3.33Å; E26-L30 PolarHBondContact O-N 3.46Å; N27-L30 PolarHBondContact O-N 2.9Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.1Å; L30-C33 PolarHBondContact O-N 3.16Å; L30-I34 VanDerWaalsContact O-CB 3.3Å; L30-I34 WeakPolarHBondContact O-CB 3.31Å; L30-I34 WeakPolarHBondContact O-CD1 3.14Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.35Å; L30-Y49 HydrophobicContact CD2-CD1 3.53Å; L30-Y49 HydrophobicContact CD2-CE1 4.37Å; L30-Y49 HydrophobicContact CD2-CG 4.32Å; L30-M52 HydrophobicContact CD1-CB 3.94Å; L30-M52 HydrophobicContact CD2-CB 4.11Å; L30-M52 HydrophobicContact CD2-CE 4.36Å; L30-M52 HydrophobicContact CD2-SD 4.41Å; L30-L53 HydrophobicContact CB-CB 4.32Å; L30-L53 HydrophobicContact CB-CD1 4.25Å; L30-L53 HydrophobicContact CD1-CB 4.16Å; L30-L53 HydrophobicContact CD1-CD1 4.45Å
31I97.6Very high96.2Very high81 Ų8175.8 Ų75.842%0.41539%0.394SS..Hα-helixtrans-60.2-43.1176.8-69.4163.2000110.9N27 Q29 I34 M35 L53N27-I31 WeakPolarHBondContact O-CD1 3.47Å; N27-I31 VanDerWaalsContact O-CG1 3.23Å; N27-I31 WeakPolarHBondContact O-CG1 3.01Å; N27-I31 PolarHBondContact O-N 3.24Å; Q29-I31 PolarHBondContact O-N 3.46Å; I31-I34 PolarHBondContact O-N 2.93Å; I31-M35 WeakPolarHBondContact O-CB 3.3Å; I31-M35 PolarHBondContact O-N 3.4Å; I31-L53 HydrophobicContact CD1-CD1 4.45Å; I31-L53 HydrophobicContact CG1-CD1 4.14Å; I31-L53 HydrophobicContact CG1-CD2 3.83Å
32Q97.4Very high96.2Very high128 Ų12876.3 Ų76.360%0.59840%0.395SS*.Hα-helixtrans-65.1-46.2176.9-73.3172.371.600111.9N28 Q29 L30 I34 M35 D36N28-Q32 WeakPolarHBondContact O-CG 3.38Å; N28-Q32 PolarHBondContact O-N 3.39Å; N28-Q32 PolarHBondContact O-NE2 3.47Å; Q29-Q32 PolarHBondContact O-N 3.08Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.1Å; Q32-I34 VanDerWaalsContact C-N 3.35Å; Q32-I34 PolarHBondContact O-N 3.42Å; Q32-M35 PolarHBondContact O-N 3.41Å; Q32-D36 PolarHBondContact O-N 3.12Å
33C96.8Very high96Very high48 Ų4874.9 Ų74.932%0.32440%0.398SS..Hα-helixtrans-59.4-45.3175.5-780000111.6Q29 L30 M35 D36 F37Q29-C33 PolarHBondContact O-N 3.21Å; L30-C33 PolarHBondContact O-N 3.16Å; C33-M35 VanDerWaalsContact C-N 3.32Å; C33-M35 PolarHBondContact O-N 3.14Å; C33-D36 PolarHBondContact O-N 3.27Å; C33-F37 HydrophobicContact CB-CD2 4.31Å; C33-F37 HydrophobicContact CB-CE2 4.35Å; C33-F37 WeakPolarHBondContact O-CB 3.08Å; C33-F37 WeakPolarHBondContact O-CD2 3.44Å; C33-F37 PolarHBondContact O-N 3.5Å
34I96.9Very high95.9Very high13 Ų1377.4 Ų77.47%0.06742%0.422CS..Hα-helixtrans-59.2-44.2177.4-73.9164.2000110.6L30 I31 Q32 F37 Q38 Y49 Q50 L53L30-I34 VanDerWaalsContact O-CB 3.3Å; L30-I34 WeakPolarHBondContact O-CB 3.31Å; L30-I34 WeakPolarHBondContact O-CD1 3.14Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.35Å; I31-I34 PolarHBondContact O-N 2.93Å; Q32-I34 VanDerWaalsContact C-N 3.35Å; Q32-I34 PolarHBondContact O-N 3.42Å; I34-F37 PolarHBondContact O-N 2.89Å; I34-Q38 WeakPolarHBondContact O-CB 3.45Å; I34-Q38 VanDerWaalsContact O-CG 3.29Å; I34-Q38 WeakPolarHBondContact O-CG 2.99Å; I34-Q38 PolarHBondContact O-N 3.17Å; I34-Y49 VanDerWaalsContact CG1-CB 3.5Å; I34-Q50 HydrophobicContact CD1-CG 4.01Å; I34-Q50 HydrophobicContact CG1-CG 4.39Å; I34-L53 HydrophobicContact CD1-CB 4.33Å; I34-L53 HydrophobicContact CD1-CD2 3.91Å
35M95.8Very high95.8Very high130 Ų13078.1 Ų78.164%0.6442%0.424SS*.Hα-helixtrans-63.3-44.9178.7-169.8-178.7-62.700111.7I31 Q32 C33 Q38 S39I31-M35 WeakPolarHBondContact O-CB 3.3Å; I31-M35 PolarHBondContact O-N 3.4Å; Q32-M35 PolarHBondContact O-N 3.41Å; C33-M35 VanDerWaalsContact C-N 3.32Å; C33-M35 PolarHBondContact O-N 3.14Å; M35-Q38 PolarHBondContact O-N 3.35Å; M35-S39 PolarHBondContact O-N 3.41Å
36D96.1Very high95.7Very high68 Ų6874.8 Ų74.836%0.36441%0.407SS..Hα-helixtrans-64.4-44.6177.4-174.124.3000111.5Q32 C33 Q38 S39 K40Q32-D36 PolarHBondContact O-N 3.12Å; C33-D36 PolarHBondContact O-N 3.27Å; D36-Q38 PolarHBondContact O-N 3.42Å; D36-S39 PolarHBondContact O-N 2.98Å; D36-S39 PolarHBondContact O-OG 3.46Å; D36-K40 WeakPolarHBondContact O-CG 3.48Å; D36-K40 PolarHBondContact O-N 3.46Å; D36-K40 VanDerWaalsContact O-N 3.08Å; D36-K40 WeakPolarHBondContact OD1-CD 3.31Å; D36-K40 WeakPolarHBondContact OD1-CE 3.5Å; D36-K40 IonicContact OD1-NZ 2.7Å; D36-K40 PolarHBondContact OD1-NZ 3.21Å; D36-K40 IonicContact OD2-NZ 2.81Å; D36-K40 PolarHBondContact OD2-NZ 3.28Å
37F95.7Very high95.6Very high30 Ų3074.9 Ų74.913%0.13241%0.413CS..Hα-helixtrans-68.8-32.9178.8-76.6-55.6000113.8C33 I34 K40 G41 K42 E45 C46 Y49C33-F37 HydrophobicContact CB-CD2 4.31Å; C33-F37 HydrophobicContact CB-CE2 4.35Å; C33-F37 WeakPolarHBondContact O-CB 3.08Å; C33-F37 WeakPolarHBondContact O-CD2 3.44Å; C33-F37 PolarHBondContact O-N 3.5Å; I34-F37 PolarHBondContact O-N 2.89Å; F37-K40 PolarHBondContact O-N 3.08Å; F37-G41 PolarHBondContact O-N 3.43Å; F37-G41 VanDerWaalsContact O-N 3.16Å; F37-K42 HydrophobicContact CB-CB 4.3Å; F37-K42 HydrophobicContact CD1-CB 3.79Å; F37-K42 HydrophobicContact CD1-CD 3.65Å; F37-K42 HydrophobicContact CD1-CG 4.15Å; F37-K42 HydrophobicContact CE1-CD 3.72Å; F37-K42 HydrophobicContact CG-CB 4.44Å; F37-K42 PolarHBondContact O-N 3.04Å; F37-E45 HydrophobicContact CD1-CB 4.19Å; F37-E45 HydrophobicContact CD2-CB 4.31Å; F37-E45 HydrophobicContact CE1-CB 4.37Å; F37-E45 HydrophobicContact CE1-CG 4.5Å; F37-E45 HydrophobicContact CG-CB 4.14Å; F37-C46 HydrophobicContact CB-CB 4.41Å; F37-Y49 AromaticContact CD2-CD2 3.71Å; F37-Y49 HydrophobicContact CD2-CD2 3.71Å; F37-Y49 AromaticContact CD2-CE2 3.5Å; F37-Y49 HydrophobicContact CD2-CE2 3.5Å; F37-Y49 AromaticContact CE2-CD2 3.89Å; F37-Y49 HydrophobicContact CE2-CD2 3.89Å; F37-Y49 AromaticContact CE2-CE2 3.18Å; F37-Y49 HydrophobicContact CE2-CE2 3.18Å; F37-Y49 AromaticContact CE2-CZ 3.89Å; F37-Y49 HydrophobicContact CZ-CE2 4.1Å
38Q94.7Very high95.5Very high118 Ų11879.2 Ų79.255%0.55143%0.432SS*.Hα-helixtrans-64.8-43.4169.9-77.8-176.262.800111.3I34 M35 D36 K40 G41 C46I34-Q38 WeakPolarHBondContact O-CB 3.45Å; I34-Q38 VanDerWaalsContact O-CG 3.29Å; I34-Q38 WeakPolarHBondContact O-CG 2.99Å; I34-Q38 PolarHBondContact O-N 3.17Å; M35-Q38 PolarHBondContact O-N 3.35Å; D36-Q38 PolarHBondContact O-N 3.42Å; Q38-K40 PolarHBondContact O-N 3.18Å; Q38-G41 PolarHBondContact O-N 2.92Å; Q38-G41 VanDerWaalsContact O-N 3.1Å; Q38-C46 HydrophobicContact CG-CB 4.46Å; Q38-C46 VanDerWaalsContact CG-SG 3.51Å
39S95.1Very high95.5Very high93 Ų9377.4 Ų77.465%0.6542%0.419SS*.Hα-helixtrans-61.7-29.9177.981.10000112.9M35 D36M35-S39 PolarHBondContact O-N 3.41Å; D36-S39 PolarHBondContact O-N 2.98Å; D36-S39 PolarHBondContact O-OG 3.46Å
40K94.9Very high95.5Very high121 Ų12175.8 Ų75.853%0.52641%0.412SS..THydrogen-bonded Turntrans-90.7-2178.9-69.7167.31771610114.1D36 F37 Q38 K42D36-K40 WeakPolarHBondContact O-CG 3.48Å; D36-K40 PolarHBondContact O-N 3.46Å; D36-K40 VanDerWaalsContact O-N 3.08Å; D36-K40 WeakPolarHBondContact OD1-CD 3.31Å; D36-K40 WeakPolarHBondContact OD1-CE 3.5Å; D36-K40 IonicContact OD1-NZ 2.7Å; D36-K40 PolarHBondContact OD1-NZ 3.21Å; D36-K40 IonicContact OD2-NZ 2.81Å; D36-K40 PolarHBondContact OD2-NZ 3.28Å; F37-K40 PolarHBondContact O-N 3.08Å; Q38-K40 PolarHBondContact O-N 3.18Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 HydrophobicContact CB-CG 4.42Å; K40-K42 PolarHBondContact O-N 2.94Å
41G92.9Very high95.5Very high55 Ų5581.4 Ų81.457%0.56744%0.438SS*.THydrogen-bonded Turntrans69.119.8-177.700000114.9F37 Q38 T43F37-G41 PolarHBondContact O-N 3.43Å; F37-G41 VanDerWaalsContact O-N 3.16Å; Q38-G41 PolarHBondContact O-N 2.92Å; Q38-G41 VanDerWaalsContact O-N 3.1Å; G41-T43 VanDerWaalsContact C-N 3.34Å; G41-T43 PolarHBondContact O-N 3.25Å; G41-T43 VanDerWaalsContact O-N 3.09Å
42K94.4Very high95.4Very high112 Ų11280.8 Ų80.849%0.48743%0.434SS..  trans-85.274177.5-67.6-163.3-175.8178.60111.1F37 K40 A44 E45 C46F37-K42 HydrophobicContact CB-CB 4.3Å; F37-K42 HydrophobicContact CD1-CB 3.79Å; F37-K42 HydrophobicContact CD1-CD 3.65Å; F37-K42 HydrophobicContact CD1-CG 4.15Å; F37-K42 HydrophobicContact CE1-CD 3.72Å; F37-K42 HydrophobicContact CG-CB 4.44Å; F37-K42 PolarHBondContact O-N 3.04Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 HydrophobicContact CB-CG 4.42Å; K40-K42 PolarHBondContact O-N 2.94Å; K42-A44 VanDerWaalsContact C-N 3.34Å; K42-A44 PolarHBondContact O-N 3.46Å; K42-E45 HydrophobicContact CB-CB 4.32Å; K42-E45 HydrophobicContact CB-CG 4.39Å; K42-E45 HydrophobicContact CD-CG 4.41Å; K42-E45 PolarHBondContact O-N 2.82Å; K42-C46 WeakPolarHBondContact O-CB 3.44Å; K42-C46 PolarHBondContact O-N 3.31Å; K42-C46 VanDerWaalsContact O-N 3.08Å
43T90.7Very high95.4Very high114 Ų11476 Ų7670%0.69941%0.412SS*.Hα-helixtrans-61-37.4-174.3-46.80000113.6G41 S47G41-T43 VanDerWaalsContact C-N 3.34Å; G41-T43 PolarHBondContact O-N 3.25Å; G41-T43 VanDerWaalsContact O-N 3.09Å; T43-S47 PolarHBondContact O-N 3.42Å
44A94Very high95.4Very high77 Ų7778.6 Ų78.664%0.63642%0.419SS*.Hα-helixtrans-64.8-48.618000000112.3K42 C46 S47 H48K42-A44 VanDerWaalsContact C-N 3.34Å; K42-A44 PolarHBondContact O-N 3.46Å; A44-C46 PolarHBondContact O-N 3.42Å; A44-S47 WeakPolarHBondContact O-CB 3.23Å; A44-S47 PolarHBondContact O-N 2.7Å; A44-H48 PolarHBondContact O-N 2.81Å
45E94.3Very high95.4Very high86 Ų8686.2 Ų86.240%0.40245%0.447SS..Hα-helixtrans-63.7-43.4177.5-62.1-56.310700111.1F37 K42 S47 H48 Y49F37-E45 HydrophobicContact CD1-CB 4.19Å; F37-E45 HydrophobicContact CD2-CB 4.31Å; F37-E45 HydrophobicContact CE1-CB 4.37Å; F37-E45 HydrophobicContact CE1-CG 4.5Å; F37-E45 HydrophobicContact CG-CB 4.14Å; K42-E45 HydrophobicContact CB-CB 4.32Å; K42-E45 HydrophobicContact CB-CG 4.39Å; K42-E45 HydrophobicContact CD-CG 4.41Å; K42-E45 PolarHBondContact O-N 2.82Å; E45-S47 VanDerWaalsContact C-N 3.3Å; E45-S47 PolarHBondContact O-N 3.31Å; E45-H48 WeakPolarHBondContact O-CB 3.47Å; E45-H48 PolarHBondContact O-N 3.38Å; E45-H48 VanDerWaalsContact O-N 3.14Å; E45-Y49 HydrophobicContact CB-CD2 4.46Å; E45-Y49 HydrophobicContact CB-CE2 4.2Å; E45-Y49 WeakPolarHBondContact O-CD2 3.43Å; E45-Y49 PolarHBondContact O-N 2.99Å
46C94.2Very high95.4Very high7 Ų780.8 Ų80.85%0.04742%0.421CS..Hα-helixtrans-54.6-46.9175.5-177.90000111.6F37 Q38 K42 A44 H48 Y49 Q50F37-C46 HydrophobicContact CB-CB 4.41Å; Q38-C46 HydrophobicContact CG-CB 4.46Å; Q38-C46 VanDerWaalsContact CG-SG 3.51Å; K42-C46 WeakPolarHBondContact O-CB 3.44Å; K42-C46 PolarHBondContact O-N 3.31Å; K42-C46 VanDerWaalsContact O-N 3.08Å; A44-C46 PolarHBondContact O-N 3.42Å; C46-H48 VanDerWaalsContact C-N 3.33Å; C46-H48 PolarHBondContact O-N 3.24Å; C46-Y49 PolarHBondContact O-N 2.87Å; C46-Q50 WeakPolarHBondContact O-CB 3.37Å; C46-Q50 VanDerWaalsContact O-CG 3.26Å; C46-Q50 WeakPolarHBondContact O-CG 3.46Å; C46-Q50 PolarHBondContact O-N 2.95Å
47S95.2Very high95.4Very high54 Ų5482 Ų8238%0.37843%0.426SS..Hα-helixtrans-59.8-41.5177.9-176.50000112.3T43 A44 E45 Q50 Q51T43-S47 PolarHBondContact O-N 3.42Å; A44-S47 WeakPolarHBondContact O-CB 3.23Å; A44-S47 PolarHBondContact O-N 2.7Å; E45-S47 VanDerWaalsContact C-N 3.3Å; E45-S47 PolarHBondContact O-N 3.31Å; S47-Q50 PolarHBondContact O-N 3.46Å; S47-Q51 WeakPolarHBondContact O-CG 3.42Å; S47-Q51 PolarHBondContact O-N 2.89Å; S47-Q51 VanDerWaalsContact O-N 3.12Å
48H96.1Very high95.4Very high99 Ų9983.8 Ų83.846%0.45844%0.44SS..Hα-helixtrans-61.7-48.2176.2-177.166.7000112.1A44 E45 C46 Q50 Q51 M52A44-H48 PolarHBondContact O-N 2.81Å; E45-H48 WeakPolarHBondContact O-CB 3.47Å; E45-H48 PolarHBondContact O-N 3.38Å; E45-H48 VanDerWaalsContact O-N 3.14Å; C46-H48 VanDerWaalsContact C-N 3.33Å; C46-H48 PolarHBondContact O-N 3.24Å; H48-Q50 VanDerWaalsContact C-N 3.32Å; H48-Q50 PolarHBondContact O-N 3.44Å; H48-Q51 WeakPolarHBondContact O-CB 3.5Å; H48-Q51 PolarHBondContact O-N 3.41Å; H48-M52 PolarHBondContact O-N 3.02Å
49Y97.6Very high95.4Very high57 Ų5782 Ų8222%0.22443%0.429CS..Hα-helixtrans-66.6-33.3178.4-67.7-63.3000112.7L30 I34 F37 E45 C46 Q51 M52 L53L30-Y49 HydrophobicContact CD2-CD1 3.53Å; L30-Y49 HydrophobicContact CD2-CE1 4.37Å; L30-Y49 HydrophobicContact CD2-CG 4.32Å; I34-Y49 VanDerWaalsContact CG1-CB 3.5Å; F37-Y49 AromaticContact CD2-CD2 3.71Å; F37-Y49 HydrophobicContact CD2-CD2 3.71Å; F37-Y49 AromaticContact CD2-CE2 3.5Å; F37-Y49 HydrophobicContact CD2-CE2 3.5Å; F37-Y49 AromaticContact CE2-CD2 3.89Å; F37-Y49 HydrophobicContact CE2-CD2 3.89Å; F37-Y49 AromaticContact CE2-CE2 3.18Å; F37-Y49 HydrophobicContact CE2-CE2 3.18Å; F37-Y49 AromaticContact CE2-CZ 3.89Å; F37-Y49 HydrophobicContact CZ-CE2 4.1Å; E45-Y49 HydrophobicContact CB-CD2 4.46Å; E45-Y49 HydrophobicContact CB-CE2 4.2Å; E45-Y49 WeakPolarHBondContact O-CD2 3.43Å; E45-Y49 PolarHBondContact O-N 2.99Å; C46-Y49 PolarHBondContact O-N 2.87Å; Y49-Q51 VanDerWaalsContact C-N 3.32Å; Y49-Q51 PolarHBondContact O-N 2.94Å; Y49-M52 PolarHBondContact O-N 3.33Å; Y49-L53 WeakPolarHBondContact O-CB 3.42Å; Y49-L53 PolarHBondContact O-N 2.89Å
50Q97.1Very high95.4Very high92 Ų9278.9 Ų78.943%0.4341%0.405SS..Hα-helixtrans-61.5-40.3173.4-76.9175.4-9.300112I34 C46 S47 H48 L53 H54I34-Q50 HydrophobicContact CD1-CG 4.01Å; I34-Q50 HydrophobicContact CG1-CG 4.39Å; C46-Q50 WeakPolarHBondContact O-CB 3.37Å; C46-Q50 VanDerWaalsContact O-CG 3.26Å; C46-Q50 WeakPolarHBondContact O-CG 3.46Å; C46-Q50 PolarHBondContact O-N 2.95Å; S47-Q50 PolarHBondContact O-N 3.46Å; H48-Q50 VanDerWaalsContact C-N 3.32Å; H48-Q50 PolarHBondContact O-N 3.44Å; Q50-L53 PolarHBondContact O-N 3.43Å; Q50-H54 WeakPolarHBondContact O-CB 3.49Å; Q50-H54 PolarHBondContact O-N 3.32Å
51Q97.1Very high95.3Very high127 Ų12775.4 Ų75.459%0.59340%0.399SS*.Hα-helixtrans-65-42.7176.6-70.3177.9-500112S47 H48 Y49 H54 R55S47-Q51 WeakPolarHBondContact O-CG 3.42Å; S47-Q51 PolarHBondContact O-N 2.89Å; S47-Q51 VanDerWaalsContact O-N 3.12Å; H48-Q51 WeakPolarHBondContact O-CB 3.5Å; H48-Q51 PolarHBondContact O-N 3.41Å; Y49-Q51 VanDerWaalsContact C-N 3.32Å; Y49-Q51 PolarHBondContact O-N 2.94Å; Q51-H54 PolarHBondContact O-N 3.45Å; Q51-R55 WeakPolarHBondContact O-CB 2.99Å; Q51-R55 PolarHBondContact O-N 2.91Å
52M95.4Very high95.2Very high68 Ų6876.4 Ų76.434%0.33539%0.394SS..Hα-helixtrans-61.1-46.6174.7-72.4-173.662.300111.6L30 H48 Y49 H54 R55 N56L30-M52 HydrophobicContact CD1-CB 3.94Å; L30-M52 HydrophobicContact CD2-CB 4.11Å; L30-M52 HydrophobicContact CD2-CE 4.36Å; L30-M52 HydrophobicContact CD2-SD 4.41Å; H48-M52 PolarHBondContact O-N 3.02Å; Y49-M52 PolarHBondContact O-N 3.33Å; M52-H54 PolarHBondContact O-N 2.86Å; M52-R55 WeakPolarHBondContact O-CB 3.37Å; M52-R55 PolarHBondContact O-N 3.02Å; M52-N56 PolarHBondContact O-N 3.21Å
53L97.5Very high94.9Very high26 Ų2671.6 Ų71.614%0.13637%0.373CS..Hα-helixtrans-60.6-46.7178.6-17965.4000110.9N27 L30 I31 I34 Y49 Q50 R55 N56 L57N27-L53 HydrophobicContact CB-CD1 3.74Å; L30-L53 HydrophobicContact CB-CB 4.32Å; L30-L53 HydrophobicContact CB-CD1 4.25Å; L30-L53 HydrophobicContact CD1-CB 4.16Å; L30-L53 HydrophobicContact CD1-CD1 4.45Å; I31-L53 HydrophobicContact CD1-CD1 4.45Å; I31-L53 HydrophobicContact CG1-CD1 4.14Å; I31-L53 HydrophobicContact CG1-CD2 3.83Å; I34-L53 HydrophobicContact CD1-CB 4.33Å; I34-L53 HydrophobicContact CD1-CD2 3.91Å; Y49-L53 WeakPolarHBondContact O-CB 3.42Å; Y49-L53 PolarHBondContact O-N 2.89Å; Q50-L53 PolarHBondContact O-N 3.43Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.17Å; L53-N56 PolarHBondContact O-N 3.48Å; L53-L57 HydrophobicContact CD1-CD1 4.45Å; L53-L57 HydrophobicContact CD1-CG 4.44Å; L53-L57 HydrophobicContact CG-CD1 4.09Å; L53-L57 HydrophobicContact CG-CG 4.47Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.14Å
54H97.3Very high94.7Very high103 Ų10368.8 Ų68.848%0.47736%0.362SS..Hα-helixtrans-59.4-44.5177.1179.2-94.5000111.7Q50 Q51 M52 N56 L57 V58Q50-H54 WeakPolarHBondContact O-CB 3.49Å; Q50-H54 PolarHBondContact O-N 3.32Å; Q51-H54 PolarHBondContact O-N 3.45Å; M52-H54 PolarHBondContact O-N 2.86Å; H54-N56 VanDerWaalsContact C-N 3.3Å; H54-N56 PolarHBondContact O-N 3.32Å; H54-L57 PolarHBondContact O-N 3.4Å; H54-V58 WeakPolarHBondContact O-CB 3.28Å; H54-V58 VanDerWaalsContact O-CG2 3.31Å; H54-V58 WeakPolarHBondContact O-CG2 3.37Å; H54-V58 PolarHBondContact O-N 2.9Å
55R96.9Very high94Very high173 Ų17370.5 Ų70.565%0.65336%0.36SS*.Hα-helixtrans-57.8-44.4176.4-177.5177.5-178.7161.61.6111.6Q51 M52 L53 Y59Q51-R55 WeakPolarHBondContact O-CB 2.99Å; Q51-R55 PolarHBondContact O-N 2.91Å; M52-R55 WeakPolarHBondContact O-CB 3.37Å; M52-R55 PolarHBondContact O-N 3.02Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.17Å; R55-Y59 WeakPolarHBondContact O-CB 3.46Å; R55-Y59 PolarHBondContact O-N 3.36Å
56N96.1Very high93.3Very high16 Ų1669.1 Ų69.19%0.08636%0.36CS..Hα-helixtrans-67.8-42179.8-70.8-3.8000111.9L23 E26 N27 M52 L53 H54 Y59 L60L23-N56 HydrophobicContact CD2-CB 4.12Å; E26-N56 PolarHBondContact OE1-ND2 3.24Å; E26-N56 VanDerWaalsContact OE1-ND2 3.09Å; N27-N56 WeakPolarHBondContact OD1-CB 3.5Å; N27-N56 PolarHBondContact OD1-ND2 3.38Å; M52-N56 PolarHBondContact O-N 3.21Å; L53-N56 PolarHBondContact O-N 3.48Å; H54-N56 VanDerWaalsContact C-N 3.3Å; H54-N56 PolarHBondContact O-N 3.32Å; N56-Y59 PolarHBondContact O-N 3.31Å; N56-L60 WeakPolarHBondContact O-CB 3.34Å; N56-L60 VanDerWaalsContact O-CG 3.3Å; N56-L60 WeakPolarHBondContact O-CG 3.13Å; N56-L60 PolarHBondContact O-N 2.91Å
57L96.4Very high91.9Very high93 Ų9373 Ų7349%0.48738%0.38SS..Hα-helixtrans-62.8-45.1176.7-69.1174000112.1L53 H54 Y59 L60 A61L53-L57 HydrophobicContact CD1-CD1 4.45Å; L53-L57 HydrophobicContact CD1-CG 4.44Å; L53-L57 HydrophobicContact CG-CD1 4.09Å; L53-L57 HydrophobicContact CG-CG 4.47Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.14Å; H54-L57 PolarHBondContact O-N 3.4Å; L57-Y59 VanDerWaalsContact C-N 3.32Å; L57-Y59 PolarHBondContact O-N 2.91Å; L57-L60 PolarHBondContact O-N 3.46Å; L57-A61 WeakPolarHBondContact O-CB 3.3Å; L57-A61 PolarHBondContact O-N 3.2Å
58V95.9Very high90.3Very high69 Ų6976.7 Ų76.742%0.41839%0.391SS..Hα-helixtrans-63.5-39.9176.7172.30000111.1H54 A61 T62H54-V58 WeakPolarHBondContact O-CB 3.28Å; H54-V58 VanDerWaalsContact O-CG2 3.31Å; H54-V58 WeakPolarHBondContact O-CG2 3.37Å; H54-V58 PolarHBondContact O-N 2.9Å; V58-A61 PolarHBondContact O-N 3.37Å; V58-T62 WeakPolarHBondContact O-CB 3.45Å; V58-T62 PolarHBondContact O-N 3.34Å; V58-T62 PolarHBondContact O-OG1 3.39Å
59Y94.6Very high88.1Confident79 Ų7976.5 Ų76.531%0.3139%0.394SS..Hα-helixtrans-64.4-43.8176.1-179.4-105.5000112L23 R55 N56 L57 T62 I63L23-Y59 HydrophobicContact CD1-CD1 3.39Å; L23-Y59 HydrophobicContact CD1-CE1 3.42Å; L23-Y59 VanDerWaalsContact CD1-CE1 3.42Å; R55-Y59 WeakPolarHBondContact O-CB 3.46Å; R55-Y59 PolarHBondContact O-N 3.36Å; N56-Y59 PolarHBondContact O-N 3.31Å; L57-Y59 VanDerWaalsContact C-N 3.32Å; L57-Y59 PolarHBondContact O-N 2.91Å; Y59-T62 PolarHBondContact O-N 2.85Å; Y59-I63 HydrophobicContact CD1-CD1 3.71Å; Y59-I63 HydrophobicContact CD2-CD1 4.49Å; Y59-I63 HydrophobicContact CE1-CD1 3.15Å; Y59-I63 HydrophobicContact CE1-CG1 4.3Å; Y59-I63 HydrophobicContact CE2-CD1 4.04Å; Y59-I63 HydrophobicContact CE2-CG1 4.47Å; Y59-I63 HydrophobicContact CG-CD1 4.36Å; Y59-I63 WeakPolarHBondContact O-CG1 3.43Å; Y59-I63 PolarHBondContact O-N 3.31Å
60L93.8Very high86Confident29 Ų2978.3 Ų78.315%0.15241%0.411CS..Hα-helixtrans-61.7-42.2174.7-72.8170.2000112I20 L23 L24 N27 N56 L57 I63 A64I20-L60 HydrophobicContact CG2-CD2 3.85Å; L23-L60 HydrophobicContact CB-CD1 4.43Å; L23-L60 HydrophobicContact CB-CD2 4.2Å; L23-L60 HydrophobicContact CB-CG 4.45Å; L23-L60 HydrophobicContact CD1-CD2 4.19Å; L24-L60 HydrophobicContact CD2-CD1 3.8Å; N27-L60 WeakPolarHBondContact ND2-CD1 3.45Å; N56-L60 WeakPolarHBondContact O-CB 3.34Å; N56-L60 VanDerWaalsContact O-CG 3.3Å; N56-L60 WeakPolarHBondContact O-CG 3.13Å; N56-L60 PolarHBondContact O-N 2.91Å; L57-L60 PolarHBondContact O-N 3.46Å; L60-I63 PolarHBondContact O-N 3.31Å; L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.26Å
61A93Very high83.9Confident48 Ų4880.9 Ų80.940%0.39742%0.423SS..Hα-helixtrans-60.5-49174.200000111.4L57 V58 I63 A64 D65L57-A61 WeakPolarHBondContact O-CB 3.3Å; L57-A61 PolarHBondContact O-N 3.2Å; V58-A61 PolarHBondContact O-N 3.37Å; A61-I63 VanDerWaalsContact C-N 3.26Å; A61-I63 PolarHBondContact O-N 2.94Å; A61-A64 WeakPolarHBondContact O-CB 3.45Å; A61-A64 PolarHBondContact O-N 3.44Å; A61-D65 PolarHBondContact O-N 3.02Å; A61-D65 VanDerWaalsContact O-OD2 3.05Å
62T91.8Very high81.7Confident75 Ų7579.6 Ų79.646%0.4643%0.427SS..Hα-helixtrans-57.4-40178.2-54.60000112V58 Y59 S66V58-T62 WeakPolarHBondContact O-CB 3.45Å; V58-T62 PolarHBondContact O-N 3.34Å; V58-T62 PolarHBondContact O-OG1 3.39Å; Y59-T62 PolarHBondContact O-N 2.85Å; T62-S66 WeakPolarHBondContact O-CB 3.47Å; T62-S66 PolarHBondContact O-N 3.15Å; T62-S66 PolarHBondContact O-OG 3.21Å
63I88.9Confident79.6Confident12 Ų1282.5 Ų82.56%0.06244%0.444CS..Hα-helixtrans-67.7-44.2175-74.4173.5000111.4I15 I20 Y59 L60 A61 D65 S66 N67I15-I63 HydrophobicContact CD1-CG1 4.07Å; I15-I63 HydrophobicContact CD1-CG2 4.24Å; I15-I63 HydrophobicContact CG1-CD1 4.15Å; I15-I63 HydrophobicContact CG1-CG1 4.03Å; I15-I63 HydrophobicContact CG1-CG2 4.38Å; I15-I63 HydrophobicContact CG2-CD1 4.23Å; I15-I63 HydrophobicContact CG2-CG1 4.41Å; I15-I63 HydrophobicContact CG2-CG2 3.41Å; I15-I63 VanDerWaalsContact CG2-CG2 3.41Å; I20-I63 HydrophobicContact CD1-CG2 4.11Å; Y59-I63 HydrophobicContact CD1-CD1 3.71Å; Y59-I63 HydrophobicContact CD2-CD1 4.49Å; Y59-I63 HydrophobicContact CE1-CD1 3.15Å; Y59-I63 HydrophobicContact CE1-CG1 4.3Å; Y59-I63 HydrophobicContact CE2-CD1 4.04Å; Y59-I63 HydrophobicContact CE2-CG1 4.47Å; Y59-I63 HydrophobicContact CG-CD1 4.36Å; Y59-I63 WeakPolarHBondContact O-CG1 3.43Å; Y59-I63 PolarHBondContact O-N 3.31Å; L60-I63 PolarHBondContact O-N 3.31Å; A61-I63 VanDerWaalsContact C-N 3.26Å; A61-I63 PolarHBondContact O-N 2.94Å; I63-D65 VanDerWaalsContact C-N 3.34Å; I63-S66 PolarHBondContact O-N 2.87Å; I63-N67 WeakPolarHBondContact O-CB 3.48Å; I63-N67 PolarHBondContact O-N 3.27Å
64A84.6Confident77.1Confident55 Ų5587.2 Ų87.246%0.45547%0.469SS..Hα-helixtrans-61.3-43178.700000111.4L60 A61 N67 Q68L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.26Å; A61-A64 WeakPolarHBondContact O-CB 3.45Å; A61-A64 PolarHBondContact O-N 3.44Å; A64-N67 PolarHBondContact O-N 2.74Å; A64-Q68 PolarHBondContact O-N 2.98Å
65D80.7Confident75Confident112 Ų11288 Ų8860%0.59948%0.482SS*.Hα-helixtrans-63.4-41.8174.8-69.7-48.6000111.8A61 I63 N67 Q68 N69A61-D65 PolarHBondContact O-N 3.02Å; A61-D65 VanDerWaalsContact O-OD2 3.05Å; I63-D65 VanDerWaalsContact C-N 3.34Å; D65-N67 VanDerWaalsContact C-N 3.31Å; D65-N67 PolarHBondContact O-N 3.46Å; D65-Q68 PolarHBondContact O-N 3.33Å; D65-N69 PolarHBondContact O-N 2.86Å; D65-N69 VanDerWaalsContact O-N 3.14Å
66S78.7Confident72.8Confident58 Ų5883.8 Ų83.841%0.40649%0.485SS..Hα-helixtrans-66.3-33.1176.1-57.70000112.3T62 I63 N69 V70T62-S66 WeakPolarHBondContact O-CB 3.47Å; T62-S66 PolarHBondContact O-N 3.15Å; T62-S66 PolarHBondContact O-OG 3.21Å; I63-S66 PolarHBondContact O-N 2.87Å; S66-N69 PolarHBondContact O-N 3Å; S66-V70 PolarHBondContact O-N 2.93Å
67N64.3Low70.7Confident88 Ų8888.1 Ų88.147%0.47151%0.514SS..Hα-helixtrans-71.6-32.8175.8-117.9-93000112.7I63 A64 D65 V70I63-N67 WeakPolarHBondContact O-CB 3.48Å; I63-N67 PolarHBondContact O-N 3.27Å; A64-N67 PolarHBondContact O-N 2.74Å; D65-N67 VanDerWaalsContact C-N 3.31Å; D65-N67 PolarHBondContact O-N 3.46Å; N67-V70 WeakPolarHBondContact O-CG2 3.46Å
68Q62.4Low68.8Low131 Ų13189.5 Ų89.561%0.61253%0.528SS*.Hα-helixtrans-70.2-36.4172.9-71.7-68.6-50.600111.9A64 D65 V70 Q71 S72A64-Q68 PolarHBondContact O-N 2.98Å; D65-Q68 PolarHBondContact O-N 3.33Å; Q68-V70 PolarHBondContact O-N 2.77Å; Q68-Q71 PolarHBondContact O-N 3.34Å; Q68-S72 PolarHBondContact O-N 3.21Å
69N50.5Low67Low96 Ų9691.9 Ų91.951%0.51354%0.543SS..Hα-helixtrans-68.9-32.3-179.2-161.6-14.1000113.3D65 S66 Q71 S72 L73D65-N69 PolarHBondContact O-N 2.86Å; D65-N69 VanDerWaalsContact O-N 3.14Å; S66-N69 PolarHBondContact O-N 3Å; N69-Q71 VanDerWaalsContact C-N 3.32Å; N69-Q71 PolarHBondContact O-N 3.09Å; N69-S72 PolarHBondContact O-N 3.24Å; N69-L73 PolarHBondContact O-N 3.47Å
70V53.4Low64.9Low95 Ų9597.3 Ų97.358%0.57657%0.572SS**Hα-helixtrans-69.3-24.9173.5-640000113.6S66 N67 Q68S66-V70 PolarHBondContact O-N 2.93Å; N67-V70 WeakPolarHBondContact O-CG2 3.46Å; Q68-V70 PolarHBondContact O-N 2.77Å
71Q52.8Low62.7Low146 Ų146102.7 Ų102.768%0.68260%0.601SS**Hα-helixtrans-78.5-28.7170.1-83.2-157.3-15.200112.9Q68 N69 L73 L74Q68-Q71 PolarHBondContact O-N 3.34Å; N69-Q71 VanDerWaalsContact C-N 3.32Å; N69-Q71 PolarHBondContact O-N 3.09Å; Q71-L73 VanDerWaalsContact C-N 3.27Å; Q71-L73 PolarHBondContact O-N 3.23Å; Q71-L74 WeakPolarHBondContact O-CD1 3.29Å
72S51.1Low60.7Low99 Ų99107.7 Ų107.769%0.69262%0.618SS**Hα-helixtrans-78.2-10.3176.6-162.50000113.7Q68 N69Q68-S72 PolarHBondContact O-N 3.21Å; N69-S72 PolarHBondContact O-N 3.24Å
73L51.8Low58.7Low129 Ų129110.2 Ų110.268%0.67564%0.635SS**THydrogen-bonded Turntrans-96.98.3177.2-81.1163.3000114N69 Q71 P75N69-L73 PolarHBondContact O-N 3.47Å; Q71-L73 VanDerWaalsContact C-N 3.27Å; Q71-L73 PolarHBondContact O-N 3.23Å; L73-P75 WeakPolarHBondContact O-CD 3.38Å
74L44.8Very low56.9Low126 Ų126117.4 Ų117.466%0.6667%0.67SS**SBendtrans-63.1123.1162.1-82.891.1000107.6Q71 A76Q71-L74 WeakPolarHBondContact O-CD1 3.29Å; L74-A76 PolarHBondContact O-N 2.81Å
75P51.6Low55.1Low118 Ų118118 Ų11877%0.76668%0.681SS**  trans-54.7131165.323.5-30.4000106.8L73L73-P75 WeakPolarHBondContact O-CD 3.38Å
76A50.6Low53.7Low85 Ų85119.4 Ų119.470%0.70270%0.697SS**  trans-45.2134.7174.900000108.4L74L74-A76 PolarHBondContact O-N 2.81Å
77P53.9Low52Low107 Ų107120.3 Ų120.370%0.69572%0.716SS**  trans-50.6132.9174.422.9-32.2000106.8T79P77-T79 PolarHBondContact O-N 3.03Å
78P55.8Low51.2Low122 Ų122120.1 Ų120.179%0.79273%0.734SS**  trans-55.7109.9177.722.4-31.3000106.7Q80P78-Q80 PolarHBondContact O-N 3.24Å
79T57.8Low50.5Low120 Ų120123 Ų12374%0.73675%0.75SS**  trans-59.5101.5163.545.60000104.2P77 N81P77-T79 PolarHBondContact O-N 3.03Å; T79-N81 PolarHBondContact O-N 3.43Å
80Q50.2Low50Low193 Ų193124.9 Ų124.990%0.90276%0.76SS**  trans-67.686.8168.6-152.4174.812.900105.2P78 M82P78-Q80 PolarHBondContact O-N 3.24Å; Q80-M82 VanDerWaalsContact C-N 3.32Å; Q80-M82 PolarHBondContact O-N 3.4Å
81N47.3Very low49.2Very low142 Ų142128.2 Ų128.276%0.75977%0.769SS**  trans-49.3101162.4-95.79.7000106.6T79 P83T79-N81 PolarHBondContact O-N 3.43Å; N81-P83 WeakPolarHBondContact O-CD 3.34Å
82M50.9Low48.6Very low153 Ų153126.7 Ų126.775%0.75478%0.775SS**  trans-81.6110.9152.7-117-155.4-77.700105.8Q80 M84Q80-M82 VanDerWaalsContact C-N 3.32Å; Q80-M82 PolarHBondContact O-N 3.4Å; M82-M84 PolarHBondContact O-N 3.48Å; M82-M84 VanDerWaalsContact O-N 3.08Å; M82-M84 HydrophobicContact SD-CE 4.3Å
83P50.9Low47.8Very low127 Ų127125.5 Ų125.583%0.82578%0.778SS**  trans-79.585.3164.633.7-27.5000106N81N81-P83 WeakPolarHBondContact O-CD 3.34Å
84M50.3Low47.8Very low163 Ų163125.2 Ų125.280%0.80378%0.784SS**  trans-111.1127.1161.4-112-142.2-89.500108.4M82M82-M84 PolarHBondContact O-N 3.48Å; M82-M84 VanDerWaalsContact O-N 3.08Å; M82-M84 HydrophobicContact SD-CE 4.3Å
85G48Very low47.3Very low67 Ų67125.1 Ų125.169%0.69179%0.794SS**  trans-71.9-178.2-15900000115.3G87G85-G87 PolarHBondContact O-N 3.05Å
86P50.3Low47.3Very low143 Ų143125.4 Ų125.493%0.92980%0.796SS**SBendtrans-74.9122.8-179.632.4-30.2000108.7
87G43Very low46.7Very low77 Ų77130.2 Ų130.279%0.79480%0.804SS**  trans16954.9179.200000115G85 M89G85-G87 PolarHBondContact O-N 3.05Å; G87-M89 PolarHBondContact O-N 3.25Å
88G47.8Very low46.6Very low83 Ų83130.7 Ų130.786%0.85681%0.807SS**  trans-85.788.8163.100000109.9
89M47.6Very low46.5Very low192 Ų192129.4 Ų129.495%0.94680%0.798SS**  trans-141.9121.2164.3-102.8163.8-169.400112.2G87G87-M89 PolarHBondContact O-N 3.25Å
90N39.9Very low45.6Very low136 Ų136132.2 Ų132.273%0.72780%0.803SS**  trans-38.4153.8163.8-161.2-114.4000115.2
91Q37.4Very low44.9Very low164 Ų164126.6 Ų126.677%0.76680%0.797SS**  trans99116.7153.3-86.3166.580.600122.3
92S39.3Very low44.6Very low115 Ų115128 Ų12880%0.80480%0.798SS**  trans70.4131.614149.70000122.3
93G35.6Very low43.9Very low74 Ų74127.4 Ų127.476%0.76380%0.798SS**  trans-79.9-171.8-179.700000116.5
94P50.8Low43.8Very low123 Ų123129.5 Ų129.580%0.79980%0.799SS**  trans-103.3153.2-14337.7-33.8000115.2
95S34Very low44.3Very low123 Ų123126.9 Ų126.986%0.8679%0.794SS**  trans-173.2161.7156.9-85.10000112.2
96P51.8Low43.8Very low125 Ų125129.3 Ų129.381%0.81280%0.801SS**  trans-109.3171.9-132.239.8-33.2000118.1
97Q38.5Very low43.3Very low185 Ų185131 Ų13186%0.86480%0.796SS**  trans-41.8172173.4-73.7-174.6-64.900117.3
98P52.1Low43.1Very low117 Ų117131 Ų13176%0.7680%0.796SS**  cis-149.8-150.132.737-9.3000115.7
99P52.4Low43Very low95 Ų95135.5 Ų135.562%0.61780%0.797SS**  -128.9178.5-72.338.7-21000116
100H40.2Very low42.6Very low180 Ų180132.7 Ų132.783%0.83379%0.791SS**  trans89.6130.6153.1-63.9-39000122.8
101G35.2Very low42.4Very low75 Ų75131.5 Ų131.577%0.77379%0.793SS**  trans168.383.8156.900000115.8
102H41.2Very low42.4Very low171 Ų171127.5 Ų127.579%0.79280%0.795SS**  trans-40.7147.7169.5-64.471.2000116.5
103N35.6Very low42.3Very low141 Ų141125.5 Ų125.575%0.75479%0.793SS**  159.3123.893.4-154.224.1000115.3
104M49.3Very low43.3Very low170 Ų170128 Ų12884%0.83780%0.796SS**  trans75.3149.8143.4-81.7-102.1-154.500125.4
105P59.5Low43.2Very low108 Ų108127.8 Ų127.870%0.70180%0.795SS**  trans-117.2175.9-157.543.5-29.7000114
106S37.4Very low43.7Very low119 Ų119126.4 Ų126.483%0.83279%0.791SS**  trans-172.2116.8132.4-158.40000111.3
107E40.8Very low43.8Very low178 Ų178126.5 Ų126.583%0.83279%0.791SS**  trans-69.5152.9152.5-69-174.811500109.7
108G38.7Very low44Very low77 Ų77125.9 Ų125.979%0.79479%0.788SS**  trans-170.773.617700000110.2
109M46.4Very low44Very low178 Ų178129.1 Ų129.188%0.87780%0.795SS**  trans-61.7140.9162.9-65.9179.7172.900109.6
110V38.1Very low43.4Very low133 Ų133132.1 Ų132.181%0.80680%0.801SS**  175.1133.7127630000113.3
111S37.1Very low43.3Very low110 Ų110128.7 Ų128.777%0.76979%0.789SS**  trans66.1121.6151.7710000121.9
112G37.6Very low43.6Very low80 Ų80132.9 Ų132.983%0.82579%0.788SS**  125.598.4108.400000117.7
113G37.1Very low43.8Very low74 Ų74134.3 Ų134.376%0.76380%0.798SS**  trans100.813914100000119.1
114P55.1Low43.9Very low125 Ų125135.1 Ų135.181%0.81280%0.802SS**  trans-90.6-177.2166.840.9-33.5000110.5
115P48.5Very low43.4Very low120 Ų120130 Ų13078%0.77979%0.792SS**  cis-140.8-179.59.242-21.5000117.1
116A45.5Very low42.4Very low93 Ų93133.3 Ų133.377%0.76980%0.799SS**  trans79.7153.7141.200000122.3
117P53.2Low42.9Very low127 Ų127136.1 Ų136.183%0.82580%0.801SS**PPolyproline II helixtrans-99.3144.4-152.737.1-29.1000113.5
118H43Very low43.5Very low173 Ų173133.1 Ų133.180%0.80180%0.797SS**PPolyproline II helixtrans-94122.5164.384.5-22.8000110.7
119M51.5Low43.5Very low184 Ų184132.8 Ų132.891%0.90679%0.793SS**PPolyproline II helixtrans-84.6126.2150.5-85.8-177.9-178.500106.7
120Q40.8Very low43.8Very low159 Ų159130.2 Ų130.274%0.74379%0.79SS**  trans-159.695.8156.3-165.578.519.900110.3
121N37.9Very low43.6Very low108 Ų108131.8 Ų131.858%0.57879%0.794SS**  47.2125.5127.7-134.127.4000121.9
122Q42.5Very low43.9Very low163 Ų163135.3 Ų135.376%0.76280%0.798SS**  trans45.2108.7133-70.9168.829.800118.5
123M45.1Very low44.2Very low200 Ų200140.4 Ų140.499%0.98580%0.802SS**  trans-143.1129.2135.8-112.9174.3-159.900112.3
124N37.7Very low44.9Very low159 Ų159142.3 Ų142.385%0.8580%0.801SS**  trans-77.6138176.5177.2-17000109.7
125G38.3Very low44.5Very low61 Ų61145.3 Ų145.363%0.62981%0.807SS**  trans162.789.5167.200000117.8
126Q37.3Very low44.2Very low179 Ų179149 Ų14984%0.83681%0.813SS**  trans52.9108.7130-62.4173.555.100122.1
127M49Very low43.8Very low177 Ų177147.5 Ų147.587%0.87281%0.808SS**  trans65.3161.9137.4-75-132.6-75.800122.1
128P53.4Low43.4Very low115 Ų115148.4 Ų148.475%0.74781%0.813SS**  cis-126.9165-14.530.9-10.6000114
129G37.7Very low43.2Very low70 Ų70143.2 Ų143.272%0.72281%0.806SS**  trans-84.5175.7178.900000115.3
130P53.5Low43.1Very low125 Ų125140.8 Ų140.881%0.81281%0.805SS**  trans-106.7131.2161.85.116.4000112.6
131N34.4Very low43.2Very low165 Ų165136.5 Ų136.588%0.88280%0.803SS**  trans-47.1136.8178.5-78.10.4000116
132H42.8Very low43.8Very low184 Ų184137.2 Ų137.285%0.85281%0.814SS**  trans-107.1136.7145.7-75.2-107.9000109
133M43.2Very low44Very low188 Ų188137.1 Ų137.193%0.92682%0.818SS**  trans-89133.2-176.1-159.5177.4-73.300110
134P52Low44Very low114 Ų114136.5 Ų136.574%0.7481%0.813SS**  trans-113.8127.4159.432.9-22.4000112
135M46.3Very low44.6Very low188 Ų188134.7 Ų134.793%0.92681%0.81SS**  trans-60.9133.7165.3-108.6-84.7-156.700110.2
136Q42.9Very low45.4Very low196 Ų196137.7 Ų137.792%0.91682%0.818SS**  trans-70130.3176.8-74174.312.900111.7
137G37.9Very low45.6Very low63 Ų63136.7 Ų136.765%0.64982%0.818SS**  trans-151.8133161.300000108.5G139G137-G139 PolarHBondContact O-N 2.87Å; G137-G139 VanDerWaalsContact O-N 3.07Å
138P43.8Very low45.3Very low146 Ų146135.7 Ų135.795%0.94881%0.814SS**  trans-78.5100.4-168.529.8-31.3000110.6
139G38.9Very low44.9Very low63 Ų63136.5 Ų136.565%0.64982%0.819SS**  trans-111.4133.8169.700000110.7G137G137-G139 PolarHBondContact O-N 2.87Å; G137-G139 VanDerWaalsContact O-N 3.07Å
140P49.6Very low44.8Very low134 Ų134138.3 Ų138.387%0.8782%0.82SS**  trans-70.8140.6177.928.2-31.4000111.5
141G42.6Very low43.9Very low69 Ų69136.2 Ų136.271%0.71182%0.821SS**  trans-69.4171.1-170.500000116.3N143G141-N143 PolarHBondContact O-N 3.26Å
142P51Low43.8Very low123 Ų123133 Ų13380%0.79981%0.812SS**SBendtrans-88.8107.8-168.133.3-28.8000110.8
143N46.9Very low43.5Very low161 Ų161133.5 Ų133.586%0.86182%0.817SS**  trans179.670.8149.6-97-7.4000110.3G141G141-N143 PolarHBondContact O-N 3.26Å
144Q45.5Very low43.2Very low187 Ų187131.7 Ų131.787%0.87481%0.811SS**  trans-148.7133.1158.1-71.5-166.2-19.500109.6
145P50.4Low42.8Very low120 Ų120134.1 Ų134.178%0.77982%0.815SS**  trans-72.9147.2172.430-32.6000110.8N147P145-N147 PolarHBondContact O-N 3.04Å
146P54.6Low42.9Very low125 Ų125129.6 Ų129.681%0.81280%0.799SS**  trans-70.8113.9174.826.8-31000110.4M148P146-M148 PolarHBondContact O-N 3.41Å
147N40.4Very low42.9Very low157 Ų157126.4 Ų126.484%0.8480%0.795SS**  trans-76.596.4170.3-163.611.9000108.7P145P145-N147 PolarHBondContact O-N 3.04Å
148M44.2Very low42.8Very low157 Ų157128.6 Ų128.677%0.77380%0.801SS**  trans-82.1132.5159.9-77.7-171.2176.400108.3P146 S150P146-M148 PolarHBondContact O-N 3.41Å; M148-S150 VanDerWaalsContact C-N 3.3Å; M148-S150 PolarHBondContact O-N 3.14Å
149P45.2Very low42.4Very low131 Ų131126.8 Ų126.885%0.85179%0.791SS**  trans-75.289.1166.430-29000108.7G151P149-G151 VanDerWaalsContact C-N 3.32Å; P149-G151 PolarHBondContact O-N 2.92Å
150S34.7Very low42.3Very low108 Ų108133 Ų13376%0.75580%0.803SS**  trans-67.894.4156.9-72.40000108.1M148 S152M148-S150 VanDerWaalsContact C-N 3.3Å; M148-S150 PolarHBondContact O-N 3.14Å; S150-S152 PolarHBondContact O-N 3.03Å
151G35.2Very low41.5Very low81 Ų81130.1 Ų130.184%0.83580%0.798SS**  trans-70.577.4164.300000110.2P149P149-G151 VanDerWaalsContact C-N 3.32Å; P149-G151 PolarHBondContact O-N 2.92Å
152S31.4Very low41.4Very low97 Ų97132.6 Ų132.668%0.67880%0.804SS**  trans-78.6110.8158.672.50000107.7S150 N154S150-S152 PolarHBondContact O-N 3.03Å; S152-N154 VanDerWaalsContact C-N 3.34Å; S152-N154 PolarHBondContact O-N 3.39Å
153M36.6Very low40.5Very low196 Ų196135.6 Ų135.697%0.96681%0.81SS**  trans-68.798.4159.3-84.8-179.3-168.100107.6
154N36.7Very low39.9Very low149 Ų149130.9 Ų130.980%0.79780%0.799SS**  trans-94104.2161.8-162.525000106.6S152S152-N154 VanDerWaalsContact C-N 3.34Å; S152-N154 PolarHBondContact O-N 3.39Å
155M43.6Very low39.2Very low166 Ų166127.7 Ų127.782%0.81879%0.793SS**  trans-74.5141.7172.6-99.7-95.5-169.800109.6
156P49.6Very low38.5Very low93 Ų93132.3 Ų132.360%0.60480%0.796SS**  trans-73.2151.317531.1-33.6000111.2S158P156-S158 PolarHBondContact O-N 3.49Å
157P42.5Very low37.5Very low128 Ų128132.5 Ų132.583%0.83179%0.79SS**  trans-77.2104.1169.431-29.8000109.1S159P157-S159 PolarHBondContact O-N 3.07Å
158S35.7Very low37.5Very low110 Ų110133.4 Ų133.477%0.76979%0.789SS**  trans-75.3103.7166.3-65.30000109.2P156 H160P156-S158 PolarHBondContact O-N 3.49Å; S158-H160 PolarHBondContact O-N 3.08Å
159S34.9Very low36.9Very low107 Ų107130.3 Ų130.375%0.74879%0.788SS**  trans-59.8120158.548.90000110.2P157P157-S159 PolarHBondContact O-N 3.07Å
160H37.9Very low36.7Very low194 Ų194130.2 Ų130.290%0.89879%0.785SS**  trans-140.9125150.6-106.766.4000109.2S158S158-H160 PolarHBondContact O-N 3.08Å
161G32.4Very low37.3Very low73 Ų73131.2 Ų131.275%0.75379%0.789SS**  trans-81.7147.3176.800000112.6
162S39.3Very low37.3Very low122 Ų122132.4 Ų132.485%0.85378%0.784SS**  trans28.2112.1137.1-155.50000119.9
163M33.3Very low37.8Very low185 Ų185132.9 Ų132.991%0.91179%0.788SS**  trans175.8122.6134.9-95.6-88.7-172.800107.7
164G33.8Very low37.9Very low62 Ų62133 Ų13364%0.63979%0.786SS**  80.695.1100.400000111.7
165V30.9Very low37.8Very low121 Ų121129.3 Ų129.373%0.73378%0.782SS**  80.2122.889.7170.70000114.7
166Y35.3Very low37.6Very low217 Ų217130.1 Ų130.185%0.85179%0.786SS**  trans75.2147160.7-60.4-52.1000124.4
167N35.1Very low37.8Very low129 Ų129131.3 Ų131.369%0.6979%0.794SS**  trans-62.8154.7-179.7-73.6-89.2000116.6
168H39.1Very low37.7Very low176 Ų176130.1 Ų130.182%0.81580%0.796SS**  145.3137.9116.6-84.7-66.9000116.7
169A31Very low37.7Very low91 Ų91134 Ų13475%0.75280%0.801SS**  trans72.3134136.400000123.6
170V41.9Very low37.8Very low130 Ų130135 Ų13579%0.78881%0.809SS**  trans-53.7162162.4-64.90000113.5
171P47.7Very low37.8Very low129 Ų129134.2 Ų134.284%0.83881%0.805SS**  -143.8162.393.835.4-18.2000116
172S34.7Very low37.9Very low106 Ų106139 Ų13974%0.74181%0.81SS**  trans-78.4153.6177.7-46.20000114
173S42.3Very low37.7Very low107 Ų107139.3 Ų139.375%0.74880%0.802SS**  148.1147.411463.50000116.6
174Q39.3Very low38.2Very low199 Ų199139.4 Ų139.493%0.9380%0.803SS**  trans76.7128.6165.6-61.5-179.45.300118.4
175G32.5Very low38.4Very low70 Ų70141.4 Ų141.472%0.72280%0.802SS**  cis162.5120.2-3.500000112.8
176M40.9Very low38.7Very low183 Ų183144.1 Ų144.190%0.90181%0.807SS**  trans71.2165.4146.7-59.6-64.7-165.300121.3
177P52.6Low38.8Very low118 Ų118136.9 Ų136.977%0.76680%0.798SS**  -133.1165.9-8335.1-14.1000114.3
178A40.7Very low39.2Very low104 Ų104138.9 Ų138.986%0.8680%0.804SS**  trans-148.4123.1159.800000112.3
179Q35.8Very low39.7Very low190 Ų190136.1 Ų136.189%0.88880%0.801SS**  trans-58.3137174.3-74.2155.1-86.600112.4
180S38.3Very low40.1Very low129 Ų129140.8 Ų140.890%0.90281%0.81SS**  -156112.5129.2-82.70000109.2
181Q36.2Very low40.1Very low178 Ų178137.4 Ų137.483%0.83280%0.801SS**  trans-90164.7-176.9-157175.659.500109.3
182M34.4Very low39.5Very low172 Ų172136 Ų13685%0.84780%0.795SS**  trans93.1131.8165.5-58.9-164.9-75.400115.4
183N35Very low39.6Very low130 Ų130142.1 Ų142.170%0.69580%0.803SS**  cis-165.2133.51.1176.31.9000106.6T185N183-T185 PolarHBondContact ND2-OG1 2.87Å; N183-T185 PolarHBondContact OD1-OG1 3.17Å
184M44Very low39.3Very low187 Ų187140.1 Ų140.192%0.92180%0.799SS**  trans-89.4112.3171.6-171.4176.5-79.600107.1
185T38.6Very low39.8Very low103 Ų103136.8 Ų136.863%0.63280%0.795SS**  trans-134.5112.8173.8-64.20000111N183N183-T185 PolarHBondContact ND2-OG1 2.87Å; N183-T185 PolarHBondContact OD1-OG1 3.17Å
186Q37.2Very low40.4Very low179 Ų179144 Ų14484%0.83680%0.801SS**  trans38.7129.3145.5-66.5-173.31500121.1
187G38.1Very low40.8Very low64 Ų64141 Ų14166%0.6680%0.795SS**  trans-72167.3169.600000115.3
188Q42.7Very low40.2Very low172 Ų172142.8 Ų142.880%0.80480%0.798SS**  trans-144.7140.3155.1-75.4-62.5-62.800108.7
189P49.2Very low40.3Very low118 Ų118145.6 Ų145.677%0.76680%0.795SS**  trans-88.6127.9170.534.1-26.7000109.4
190M40.8Very low40.5Very low188 Ų188143.8 Ų143.893%0.92679%0.791SS**  trans-104.2103.2170-92.7-75.4-86.400109.4
191G40.6Very low40.7Very low59 Ų59146.1 Ų146.161%0.60879%0.79SS**  trans-88.3147.9162.600000111.5
192S35.6Very low41Very low101 Ų101145.9 Ų145.971%0.70679%0.789SS**  trans85.9107.4143.8-72.40000121.6
193Y37.7Very low41.7Very low233 Ų233143.1 Ų143.191%0.91478%0.784SS**  trans64.6117.7139.1-53.6-71.7000122.5
194G35Very low41.9Very low65 Ų65142.6 Ų142.667%0.6779%0.79SS**  trans160.3130.7154.900000113.9
195P50Low41.7Very low130 Ų130143 Ų14384%0.84479%0.79SS**PPolyproline II helixtrans-79.8129.3-173.633-31.4000110.9
196R45.1Very low42.2Very low222 Ų222141 Ų14184%0.83879%0.79SS**PPolyproline II helixtrans-86.6129.6174.6-63.5-176.184.2-158.35.8110
197P49.2Very low43Very low119 Ų119138.7 Ų138.777%0.77379%0.791SS**PPolyproline II helixtrans-77.9133.4173.130.4-30.4000111.2M199P197-M199 PolarHBondContact O-N 3.05Å
198N40.7Very low43.8Very low155 Ų155144.5 Ų144.583%0.82980%0.803SS**  trans2.8100.2155-158.630.3000117.4
199M41.4Very low44.2Very low164 Ų164145.4 Ų145.481%0.80881%0.81SS**  trans-96.4106.5157.7-89.1-177.3-166.800109P197 M201P197-M199 PolarHBondContact O-N 3.05Å; M199-M201 PolarHBondContact O-N 3.46Å
200N41.1Very low44.1Very low151 Ų151147.7 Ų147.781%0.80781%0.81SS**  trans-70.7102168.3-172.919.1000108.8
201M41.8Very low44.2Very low178 Ų178147.6 Ų147.688%0.87781%0.807SS**  trans-108.2101.5173.9-143.5156.8-163.200108.7M199M199-M201 PolarHBondContact O-N 3.46Å
202Q43.4Very low44.4Very low173 Ų173152.2 Ų152.281%0.80881%0.813SS**  trans-64.7124.1177.3-170.9-178.2-5.800110S204Q202-S204 PolarHBondContact O-N 3.22Å
203P48.2Very low44.8Very low114 Ų114152.7 Ų152.774%0.7481%0.814SS**  trans-80.6112174.629.1-29.6000109.9
204S39.4Very low45Very low119 Ų119147.3 Ų147.383%0.83281%0.807SS**PPolyproline II helixtrans-75.5118.1162.1490000108.4Q202Q202-S204 PolarHBondContact O-N 3.22Å
205Q39.2Very low45.2Very low195 Ų195150.1 Ų150.191%0.91181%0.811SS**PPolyproline II helixtrans-80.7118.2176.3-61.9-165.92600109.7
206G49.4Very low44.6Very low61 Ų61153 Ų15363%0.62981%0.813SS**PPolyproline II helixtrans-96.5145.1158.700000109.7M208G206-M208 PolarHBondContact O-N 3.46Å
207P53.6Low44.1Very low132 Ų132151.3 Ų151.386%0.85782%0.815SS**  trans-74.3114.9-177.628.5-31000110.6
208M56.5Low43.3Very low185 Ų185156.1 Ų156.191%0.91182%0.819SS**  trans-76.5120.3164.1-82.5-163.9-85.300109G206 H210G206-M208 PolarHBondContact O-N 3.46Å; M208-H210 PolarHBondContact O-N 3.42Å
209M50.8Low43.1Very low192 Ų192156.1 Ų156.195%0.94682%0.819SS**  trans-61.9120171.7-79.5-142.1-8200110.4Q211M209-Q211 PolarHBondContact O-N 2.94Å
210H46.6Very low43.1Very low166 Ų166156.2 Ų156.277%0.76982%0.82SS**  trans-78.3106.2176.2-169.784.4000109.6M208M208-H210 PolarHBondContact O-N 3.42Å
211Q43Very low43.4Very low186 Ų186154.4 Ų154.487%0.86982%0.816SS**  trans-85.6111.4171-154.8-159.7113.400108.9M209M209-Q211 PolarHBondContact O-N 2.94Å
212Q44.1Very low43.8Very low155 Ų155152.3 Ų152.372%0.72482%0.816SS**PPolyproline II helixtrans-72.6142.7171.3-72.4-179.8-5.600110.6
213P44.4Very low43.4Very low112 Ų112148 Ų14873%0.72782%0.818SS**PPolyproline II helixtrans-79.3146.1166.331.1-31000111.2
214P42.3Very low42.8Very low119 Ų119146 Ų14677%0.77382%0.818SS**PPolyproline II helixtrans-75.6134.1179.829.3-32000111.7
215T38.6Very low42.7Very low125 Ų125146.4 Ų146.477%0.76782%0.821SS**PPolyproline II helixtrans-77.8116.8169.752.40000109.9Q217T215-Q217 PolarHBondContact O-N 3.35Å
216Q38.4Very low42.6Very low189 Ų189140.2 Ų140.288%0.88381%0.81SS**  trans-74106.2169.3-67.7-75.86500109.3
217Q33.1Very low42Very low187 Ų187144.6 Ų144.687%0.87481%0.814SS**PPolyproline II helixtrans-82.6118.1166.1-67.8-168.3-52.300108.7T215T215-Q217 PolarHBondContact O-N 3.35Å
218Y32.4Very low41.2Very low221 Ų221145.2 Ų145.287%0.86781%0.805SS**PPolyproline II helixtrans-94.7119.8168.3-153.6-93.1000109.5
219N38.4Very low40.4Very low155 Ų155145.8 Ų145.883%0.82980%0.798SS**PPolyproline II helixtrans-89.1129.5-179.3-153.665.6000108.7
220M40.3Very low39.7Very low165 Ų165145.2 Ų145.281%0.81379%0.793SS**  trans-127.8138.5176-149.4144.4164.700110
221P46.8Very low39.2Very low113 Ų113140.8 Ų140.873%0.73479%0.793SS**  trans-83.8160.8-160.533.5-34.9000113.8
222P51.2Low39.2Very low134 Ų134141 Ų14187%0.8779%0.794SS**  trans-90.9136.8179.135-29.2000111.4
223G35.7Very low39Very low83 Ų83142.5 Ų142.586%0.85680%0.801SS**  trans169.4120.616400000115.1
224G35.3Very low39.2Very low71 Ų71143 Ų14373%0.73280%0.802SS**  trans121.479.8147.800000118.6
225S37.2Very low39.7Very low129 Ų129143.4 Ų143.490%0.90280%0.804SS**  trans42125.9133.160.70000122.6
226G37.2Very low40.2Very low65 Ų65145.5 Ų145.567%0.6781%0.808SS**  trans135.9115.4130.400000119
227Q37Very low40.6Very low153 Ų153140.2 Ų140.272%0.71580%0.803SS**  trans88.4100.2145.6-43.5-51.967.300122.7
228H35.6Very low41.1Very low144 Ų144139 Ų13967%0.66780%0.8SS**  30.6141128.3-23.1-73.8000121
229Y40Very low41.7Very low197 Ų197137.2 Ų137.277%0.77380%0.802SS**  cis-159133.143.4-112.3-102.3000109.4
230Q37Very low41.8Very low180 Ų180133.3 Ų133.384%0.84180%0.797SS**  78.8113.8104.2-161.2-179.768.500117.7
231G35.8Very low42.1Very low74 Ų74134.8 Ų134.876%0.76380%0.802SS**  trans165.278.6163.500000117.9
232Q43.2Very low41.8Very low191 Ų191136.1 Ų136.189%0.89381%0.808SS**  trans76.586.1143.7-137.7162.764.900121
233Q40.2Very low41.6Very low186 Ų186137 Ų13787%0.86981%0.806SS**  34.3123.4124.1-57.817933.700121.1
234T47.6Very low41.8Very low122 Ų122142.1 Ų142.175%0.74881%0.807SS**  trans-60.2171160.8-26.70000112.3
235P53.2Low42.2Very low127 Ų127142 Ų14283%0.82581%0.806SS**  -134.5140.3103.433.8-21.8000114.1
236M48.1Very low42.3Very low170 Ų170143.2 Ų143.284%0.83780%0.802SS**  trans-70.6130.8175.4-162.6-168.4-73.600109.5
237G46.7Very low42.7Very low77 Ų77149.1 Ų149.179%0.79481%0.812SS**  trans-109.5114167.200000109.9
238M45.3Very low43.4Very low163 Ų163148.4 Ų148.480%0.80382%0.818SS**  trans-67.7144.8-177.2-85.7161126.100114.4
239M44.9Very low44.1Very low183 Ų183150.2 Ų150.290%0.90183%0.829SS**  trans64.3122.5132.4-156176.1-78.100119.6
240G39.6Very low44.7Very low72 Ų72143.8 Ų143.874%0.74282%0.822SS**  trans170.973.7167.700000113.7V242G240-V242 PolarHBondContact O-N 2.94Å
241Q47.8Very low45.2Very low196 Ų196143.9 Ų143.992%0.91682%0.823SS**  trans-73.9110.2168.4-167.5-168.992.300108.4
242V40.2Very low45.8Very low141 Ų141151.1 Ų151.186%0.85583%0.827SS**  trans-150.7126.5152.5-79.80000110.9G240G240-V242 PolarHBondContact O-N 2.94Å
243N45.2Very low46.1Very low153 Ų153148 Ų14882%0.81882%0.824SS**  trans-68.3124.7170.7-178.615.9000110.2
244Q39.9Very low46.7Very low190 Ų190146.8 Ų146.889%0.88882%0.82SS**  trans-169.7142149.9-106.4170.8103.300110.2
245G44.7Very low47.4Very low68 Ų68146 Ų14670%0.70182%0.817SS**  trans-68.5-176.8-163.400000117.2
246N40.1Very low47.8Very low155 Ų155145.9 Ų145.983%0.82982%0.816SS**  trans79.284.8-174.8-75.415.9000115.7V248N246-V248 VanDerWaalsContact C-N 3.32Å; N246-V248 PolarHBondContact O-N 3.29Å
247H44.9Very low47.2Very low190 Ų190148.4 Ų148.488%0.8882%0.818SS**  trans-70.790.9155.3-50-62.1000109.1M249H247-M249 PolarHBondContact O-N 3.3Å; H247-M249 VanDerWaalsContact O-N 3.11Å
248V51.1Low47.4Very low138 Ų138155.1 Ų155.184%0.83682%0.819SS**  trans-58.5106.6146.8-109.20000105.9N246 G250N246-V248 VanDerWaalsContact C-N 3.32Å; N246-V248 PolarHBondContact O-N 3.29Å; V248-G250 PolarHBondContact O-N 2.74Å
249M51.1Low47.6Very low181 Ų181152.3 Ų152.389%0.89281%0.813SS**  trans-59.2107.3179.6-166.1-179.6-67.300108.3H247 Q251H247-M249 PolarHBondContact O-N 3.3Å; H247-M249 VanDerWaalsContact O-N 3.11Å; M249-Q251 PolarHBondContact O-N 3.12Å
250G52.3Low47.7Very low62 Ų62149.8 Ų149.864%0.63981%0.81SS**PPolyproline II helixtrans-56.7122.1177.200000110.4V248 R252V248-G250 PolarHBondContact O-N 2.74Å; G250-R252 PolarHBondContact O-N 3.47Å; G250-R252 VanDerWaalsContact O-N 3.15Å
251Q46.6Very low47.8Very low182 Ų182155 Ų15585%0.8582%0.815SS**PPolyproline II helixtrans-51.3116165.7-64.7-85.434.200108.1M249 P253M249-Q251 PolarHBondContact O-N 3.12Å; Q251-P253 WeakPolarHBondContact O-CD 3.32Å
252R48.3Very low47.6Very low227 Ų227155 Ų15586%0.85782%0.815SS**PPolyproline II helixtrans-67.7125.1170.3-66.8177.7178.7-114.80.7107.2G250 M254G250-R252 PolarHBondContact O-N 3.47Å; G250-R252 VanDerWaalsContact O-N 3.15Å; R252-M254 PolarHBondContact O-N 3.32Å; R252-M254 VanDerWaalsContact O-N 3.15Å
253P50.1Low47.9Very low126 Ų126151.1 Ų151.182%0.81880%0.804SS**PPolyproline II helixtrans-62.5120.417323.6-30000108.7Q251Q251-P253 WeakPolarHBondContact O-CD 3.32Å
254M53Low47.9Very low160 Ų160149.8 Ų149.879%0.78880%0.804SS**PPolyproline II helixtrans-65.6132.1173.7-71.3-82.6-85.200109R252R252-M254 PolarHBondContact O-N 3.32Å; R252-M254 VanDerWaalsContact O-N 3.15Å
255P63.2Low48.3Very low105 Ų105146.5 Ų146.568%0.68280%0.799SS**PPolyproline II helixtrans-64.4147.2170.525.8-31000110.1Y257P255-Y257 PolarHBondContact O-N 2.96Å
256P60.3Low48.2Very low125 Ų125152.6 Ų152.681%0.81281%0.809SS**PPolyproline II helixtrans-64.3128.7-179.625-31.6000110.6R258P256-R258 PolarHBondContact O-N 3.15Å
257Y35.4Very low48.2Very low223 Ų223154.4 Ų154.488%0.87581%0.813SS**PPolyproline II helixtrans-54.9119172.2-111.2-99.5000110P255P255-Y257 PolarHBondContact O-N 2.96Å
258R52Low47.6Very low218 Ų218155.9 Ų155.982%0.82381%0.812SS**PPolyproline II helixtrans-95.7120.9170.1-169.2175.8-175.7158.70.4108.5P256P256-R258 PolarHBondContact O-N 3.15Å
259P48.9Very low47.2Very low104 Ų104155 Ų15568%0.67581%0.809SS**PPolyproline II helixtrans-67.3149.3176.727.3-32.7000110.7Q261P259-Q261 PolarHBondContact O-N 3.04Å; P259-Q261 VanDerWaalsContact O-N 3.08Å
260P46.3Very low47.1Very low130 Ų130149.5 Ų149.584%0.84480%0.799SS**  trans-68.8110.4175.127.8-30.5000109
261Q42.2Very low46.7Very low181 Ų181155.6 Ų155.685%0.84681%0.811SS**  trans-74.5121.8169.9-161.518062.800107.6P259 G263P259-Q261 PolarHBondContact O-N 3.04Å; P259-Q261 VanDerWaalsContact O-N 3.08Å; Q261-G263 PolarHBondContact O-N 3.38Å
262Q43.7Very low46.6Very low195 Ų195155.1 Ų155.191%0.91181%0.808SS**  trans-62.3123.8176-62.4175.437.400109.4
263G46.8Very low46.3Very low61 Ų61152.4 Ų152.463%0.62981%0.811SS**  trans-130.7147.9169.400000109.6Q261Q261-G263 PolarHBondContact O-N 3.38Å
264P44.4Very low46.2Very low124 Ų124156.1 Ų156.181%0.80581%0.81SS**PPolyproline II helixtrans-69.4145.4-174.128.6-33.5000111.5Q266P264-Q266 PolarHBondContact O-N 3.08Å
265P49.5Very low45.8Very low122 Ų122159.2 Ų159.279%0.79281%0.814SS**PPolyproline II helixtrans-72.7127.1177.728-31.1000111Q267P265-Q267 PolarHBondContact O-N 3.4Å
266Q42.5Very low45.1Very low196 Ų196157 Ų15792%0.91681%0.811SS**PPolyproline II helixtrans-67.4117162.8-86.6168.2-30.900108.7P264 Y268P264-Q266 PolarHBondContact O-N 3.08Å; Q266-Y268 PolarHBondContact O-N 2.89Å
267Q38.8Very low44.2Very low192 Ų192159.3 Ų159.390%0.89782%0.816SS**PPolyproline II helixtrans-66.2119.5172.4-69.5167.2-1.100109.3P265P265-Q267 PolarHBondContact O-N 3.4Å
268Y33.8Very low44.7Very low222 Ų222157.4 Ų157.487%0.87182%0.816SS**  trans-99.4115.2166.9-154.1-86.8000106.8Q266Q266-Y268 PolarHBondContact O-N 2.89Å
269P41.1Very low44.5Very low119 Ų119157.9 Ų157.977%0.77382%0.819SS**  trans-81.8126.8-178.231.3-29.1000109.3
270G50.8Low44Very low65 Ų65157.8 Ų157.867%0.6782%0.821SS**  trans143.635.416000000119.3
271Q42.7Very low43.8Very low190 Ų190161 Ų16189%0.88882%0.824SS**SBendtrans-135.711.6170.7-76.9-169.225.800116.2
272E44.3Very low43.6Very low172 Ų172157.6 Ų157.680%0.80483%0.827SS**  trans-108.21.1-164.9-73.7157.4161.300116.5Y274E272-Y274 VanDerWaalsContact C-N 3.32Å; E272-Y274 PolarHBondContact O-N 2.77Å
273D43.4Very low43.4Very low170 Ų170152 Ų15291%0.90982%0.821SS**THydrogen-bonded Turntrans-82.214.5-176.9-69.5-61.6000116.4
274Y47.4Very low42.8Very low205 Ų205158.7 Ų158.780%0.80484%0.836SS**THydrogen-bonded Turntrans-121.41.6-177.4-159-104.4000116.5E272E272-Y274 VanDerWaalsContact C-N 3.32Å; E272-Y274 PolarHBondContact O-N 2.77Å
275Y44.3Very low42.3Very low224 Ų224156.4 Ų156.488%0.87884%0.835SS**SBendtrans-132.921.8178.7-89.9-83.3000114.6
276G47.6Very low41.5Very low59 Ų59155.5 Ų155.561%0.60884%0.838SS**  trans-99.3-20.6-173.200000117.7
277D42.5Very low41.3Very low173 Ų173151.1 Ų151.193%0.92583%0.829SS**THydrogen-bonded Turntrans-965.6-156.4-105.8-61.9000117.7
278Q46.7Very low41.1Very low184 Ų184151.3 Ų151.386%0.8683%0.83SS**THydrogen-bonded Turntrans-113.20.5-174.5-143.1167.3-3.600116.7
279Y47.3Very low41Very low227 Ų227144.6 Ų144.689%0.8983%0.828SS**SBendtrans-141.368.4175.7-86.1-89000112.1
280S37.1Very low40.8Very low103 Ų103146.6 Ų146.672%0.7283%0.832SS**  trans-148.572.7163.5-880000111.7
281H43.4Very low40Very low198 Ų198148.4 Ų148.492%0.91784%0.841SS**  trans-13984.7158.5-71.3-57.9000109.8
282A38.7Very low39.7Very low109 Ų109147.7 Ų147.790%0.90184%0.837SS**  trans165.396.9142.500000109.3
283G37.5Very low39.2Very low77 Ų77150.8 Ų150.879%0.79484%0.844SS**  trans-172.963.217500000110.6G285G283-G285 PolarHBondContact O-N 2.84Å
284Q35.9Very low38.8Very low202 Ų202146 Ų14694%0.94483%0.834SS**  trans-58.9126.9168.5-76.6174.5-2.500109
285G34Very low38.1Very low75 Ų75144.5 Ų144.577%0.77383%0.834SS**  trans-77.1159.4172.400000112.7G283G283-G285 PolarHBondContact O-N 2.84Å
286A32Very low37.7Very low103 Ų103141.9 Ų141.985%0.85183%0.83SS**  trans-165.3131.2135.500000109.2
287S37.6Very low37.4Very low104 Ų104148 Ų14873%0.72784%0.843SS**  trans-66.5151.8171.738.20000113.4
288E35.5Very low37Very low197 Ų197147.1 Ų147.192%0.92183%0.833SS**  153.6144126.9-83.8176152.500112.9
289G31.8Very low36.7Very low81 Ų81142.8 Ų142.884%0.83583%0.829SS**  trans108.695.2145.600000118.1
290N35.8Very low36.2Very low161 Ų161141.8 Ų141.886%0.86183%0.825SS**  trans-76.5133.2161.9-177.7-72.4000110.3
291A34.2Very low36.1Very low103 Ų103146.3 Ų146.385%0.85184%0.835SS**  trans-157.7133.7155.600000112.3
292Q36.3Very low35.7Very low174 Ų174146 Ų14681%0.81383%0.834SS**  trans-99.7123.3-175164.5176.5-64.300110.5
293Y34.5Very low35.8Very low238 Ų238143.6 Ų143.693%0.93382%0.82SS**  trans-174.9134157.3-89.3-75.8000104.9
294G34.6Very low36.4Very low68 Ų68145.9 Ų145.970%0.70182%0.82SS**  cis110.5103.737.900000109.2
295Q33.6Very low36.9Very low174 Ų174142.5 Ų142.581%0.81382%0.816SS**  trans61.1116.4156.1-68.5-78.285.900120.4
296Q34.5Very low37.3Very low170 Ų170148 Ų14879%0.79482%0.821SS**  164.6140.2108.9-100.5159.961.500113.4
297Q42.7Very low37.7Very low186 Ų186152.1 Ų152.187%0.86982%0.823SS**  trans-67.8134.6166.2-76.6163.5-10.200109.8
298E34.3Very low37.7Very low155 Ų155156.4 Ų156.472%0.72483%0.832SS**  trans-152.3128.2148.5-117.2154.4127.900111.7
299A39.4Very low37.6Very low94 Ų94150.5 Ų150.578%0.77782%0.824SS**  trans-78.8127.3-179.900000110
300Y36.3Very low37.9Very low205 Ų205157.3 Ų157.380%0.80483%0.826SS**  trans-132.4117.5157.1-78.9-77.3000110.3Q302Y300-Q302 PolarHBondContact O-N 2.79Å
301Q36.3Very low38.9Very low198 Ų198155.1 Ų155.193%0.92582%0.82SS**PPolyproline II helixtrans-58.4124.5170.5-75.2-148.789.500110.9
302Q35.1Very low39.7Very low193 Ų193156.3 Ų156.390%0.90282%0.819SS**PPolyproline II helixtrans-78.6118.3162.8-81.9-153.254.700110Y300Y300-Q302 PolarHBondContact O-N 2.79Å
303G39.1Very low39.8Very low58 Ų58156.3 Ų156.360%0.59882%0.819SS**PPolyproline II helixtrans-75158.4166.300000112.3
304P50.3Low40.2Very low124 Ų124153 Ų15381%0.80581%0.812SS**PPolyproline II helixtrans-76.3149.5-174.630.4-34000112.8
305P48Very low40.2Very low131 Ų131158.8 Ų158.885%0.85182%0.821SS**PPolyproline II helixtrans-73.8134.9177.127.8-31.6000112.5
306Q40.6Very low40.3Very low190 Ų190161 Ų16189%0.88882%0.824SS**PPolyproline II helixtrans-67.6140.5173.5-76.4-95.7-900111.9
307Q40.8Very low40.9Very low191 Ų191158.6 Ų158.689%0.89382%0.823SS**PPolyproline II helixtrans-68.3134.9172.3-74.1-159.96300111.5
308Q37.6Very low40.6Very low194 Ų194153.1 Ų153.191%0.90782%0.816SS**PPolyproline II helixtrans-97.1126.1173.9-142.1168.338.500109.7
309G33.4Very low40.7Very low73 Ų73153.6 Ų153.675%0.75382%0.818SS**PPolyproline II helixtrans-75156.7-168.400000116.1
310Y38.8Very low40.6Very low223 Ų223156.9 Ų156.988%0.87582%0.818SS**PPolyproline II helixtrans-71.8143169.3-74.3-97.1000111.7
311P57.4Low40.5Very low115 Ų115150.9 Ų150.975%0.74782%0.818SS**PPolyproline II helixtrans-83.8141.1161.632-30.6000111.3
312P50.4Low40.7Very low128 Ų128151.9 Ų151.983%0.83182%0.815SS**PPolyproline II helixtrans-80.6133.6175.831.1-31.4000111.4
313Q39.2Very low41.7Very low174 Ų174148.1 Ų148.181%0.81381%0.807SS**PPolyproline II helixtrans-101.2150.2168-94.8-77.91.800110.6
314Q41.5Very low41.9Very low168 Ų168151.4 Ų151.479%0.78582%0.817SS**PPolyproline II helixtrans-76.5151.6-150.6-70.2158.89.100115.6
315Q34.4Very low41.5Very low190 Ų190154 Ų15489%0.88882%0.819SS**PPolyproline II helixtrans-77.4124.4176.3-174.1167.7-4.600111
316Y37.2Very low41.2Very low221 Ų221156.6 Ų156.687%0.86782%0.819SS**  trans-113.5138.2163.8-107.3-91.6000109.4
317P46.1Very low41.1Very low120 Ų120156.1 Ų156.178%0.77982%0.817SS**  trans-94.4145-177.935.3-30.3000112.6
318G36.5Very low40.8Very low70 Ų70150 Ų15072%0.72281%0.806SS**  trans111.9108.1153.600000116
319Q36.4Very low40.7Very low166 Ų166152.2 Ų152.278%0.77681%0.808SS**  171.9115104.8-82.1-75.453.900110.6
320Q37.6Very low40.8Very low163 Ų163152 Ų15276%0.76281%0.805SS**  trans31.3116.5145.7-64.5175.89.400120.2
321G34.1Very low41.7Very low78 Ų78147.6 Ų147.680%0.80480%0.804SS**  trans-80.8156.9170.200000114.5
322Y39.5Very low40.7Very low220 Ų220148.1 Ų148.186%0.86381%0.81SS**  trans-121.8140.1161.6-84.6-92000108.9
323P56Low40.1Very low113 Ų113150.4 Ų150.473%0.73481%0.81SS**PPolyproline II helixtrans-83.8155.1-17633.3-34.1000112.8
324P43.9Very low40Very low127 Ų127148 Ų14883%0.82581%0.812SS**PPolyproline II helixtrans-81135175.632-31.3000111.6
325Q42.4Very low39.6Very low178 Ų178143.6 Ų143.683%0.83281%0.812SS**PPolyproline II helixtrans-80.4127.5166.4-82.5-168.11.300110.5
326Q41.6Very low40.3Very low186 Ų186141.1 Ų141.187%0.86981%0.812SS**PPolyproline II helixtrans-72.9138.2163.2-66.7-160.153.600110.5
327Q37.6Very low40.2Very low180 Ų180134 Ų13484%0.84181%0.806SS**  trans-150.6104153.3-105.3159.638.100108.1
328G35.3Very low39.6Very low63 Ų63137 Ų13765%0.64981%0.81SS**  trans-86.5144.8161.600000109.7
329Y34.9Very low39.6Very low241 Ų241144.7 Ų144.795%0.94582%0.818SS**  trans-160.3134.6141.4-98-76000108
330G36.4Very low40.3Very low68 Ų68142.8 Ų142.870%0.70182%0.82SS**  trans-77.5-171.2-179.700000114.5
331P58.4Low40.2Very low130 Ų130141.5 Ų141.584%0.84482%0.818SS**  trans-97.6150.8-154.837-32.6000113.3
332S35.3Very low40.3Very low126 Ų126147.4 Ų147.488%0.88182%0.818SS**  trans-165.6150.8145.8-144.90000114.2
333Q37.8Very low40.8Very low177 Ų177142.5 Ų142.583%0.82781%0.813SS**  trans-75.5155-175.7-61.2165600112.7
334S36.3Very low40.2Very low124 Ų124146.9 Ų146.987%0.86782%0.824SS**  150.3137.4124.159.70000115
335G33.6Very low39.9Very low75 Ų75144 Ų14477%0.77382%0.817SS**  trans104122.5142.300000119.6
336P48.9Very low39.7Very low137 Ų137145 Ų14589%0.8982%0.822SS**  trans-94.1143.8178.336.6-29.7000112.4
337G35.9Very low40.1Very low71 Ų71139.5 Ų139.573%0.73281%0.814SS**  trans-162.596.4-179.200000115.4
338Q33Very low40.3Very low185 Ų185139.2 Ų139.286%0.86481%0.813SS**  trans47.4116.5133.2-54.2-68.551.500120.5
339Y36.2Very low40.8Very low231 Ų231145.4 Ų145.491%0.90683%0.825SS**  trans-54150162-87.4-94.5000113.7
340P52.1Low41Very low125 Ų125144.7 Ų144.781%0.81282%0.822SS**  trans-111.6138.2140.2-5.325.7000113.2
341N34.9Very low41.3Very low136 Ų136144.5 Ų144.573%0.72782%0.821SS**  trans-72.8172.9178.4-175.131.7000113.8
342Y37Very low40.5Very low202 Ų202141.7 Ų141.779%0.79282%0.816SS**  trans114.9149.5163.1-69.5-73.5000116.6
343P50.2Low40.8Very low118 Ų118147 Ų14777%0.76682%0.818SS**  cis-126.2170.6-45.327.7-7.7000113.9
344Q41.7Very low41.3Very low205 Ų205147.3 Ų147.396%0.95881%0.811SS**  trans-59.1133.1177.5-169.5174.228.800114.7
345G38.8Very low42.1Very low66 Ų66146.3 Ų146.368%0.6880%0.802SS**  trans169.2104.8165.700000118
346Q38.3Very low43.2Very low200 Ų200148.9 Ų148.994%0.93581%0.805SS**  trans75.1122.9150.3-57.5-17138.100119.7
347G49.7Very low43Very low69 Ų69148.8 Ų148.871%0.71179%0.793SS**  trans-71.7151.4-167.800000115.7
348Q42.3Very low44Very low175 Ų175151.3 Ų151.382%0.81880%0.796SS**  trans-142.9138.3145.6-74.8-63.78.800108.5Y350Q348-Y350 PolarHBondContact O-N 3.32Å
349Q46.2Very low45.3Very low193 Ų193145.4 Ų145.490%0.90279%0.785SS**  trans-60.3114.1-179.4-60.9175.50.900109.7G351Q349-G351 PolarHBondContact O-N 3.17Å
350Y38.7Very low46.6Very low225 Ų225140.1 Ų140.188%0.88278%0.779SS**  trans-77.8104.8170.5-94.7-96.2000109.1Q348 G352Q348-Y350 PolarHBondContact O-N 3.32Å; Y350-G352 PolarHBondContact O-N 3.24Å
351G41.9Very low46.8Very low65 Ų65140.2 Ų140.267%0.6778%0.78SS**  trans-59128.8169.100000110.8Q349Q349-G351 PolarHBondContact O-N 3.17Å
352G41Very low47.6Very low71 Ų71142.7 Ų142.773%0.73279%0.787SS**  trans-58.6139.417400000111.6Y350 R354Y350-G352 PolarHBondContact O-N 3.24Å; G352-R354 PolarHBondContact O-N 3.33Å
353Y42.9Very low48.1Very low237 Ų237136.3 Ų136.393%0.92978%0.783SS**  trans-56.4103.4168.5-70-90.9000110
354R47.5Very low48Very low183 Ų183139.7 Ų139.769%0.69179%0.789SS**PPolyproline II helixtrans-91.4127.9168.6-169.6-178.1-174.3-149-2.4108.2G352 Q357G352-R354 PolarHBondContact O-N 3.33Å; R354-Q357 VanDerWaalsContact NH2-CD 3.28Å
355P54.3Low48.4Very low103 Ų103138.9 Ų138.967%0.66979%0.785SS**PPolyproline II helixtrans-64.3147.4168.927-32.4000109.9Q357P355-Q357 PolarHBondContact O-N 3.23Å; P355-Q357 VanDerWaalsContact O-N 3.17Å
356P54.9Low48.8Very low129 Ų129144.6 Ų144.684%0.83879%0.793SS**PPolyproline II helixtrans-63121.317925.2-31.2000109.8
357Q45.8Very low49Very low136 Ų136146 Ų14664%0.63679%0.79SS**PPolyproline II helixtrans-75.8133.3175.9-151.8-175.39.400108.7R354 P355 G359R354-Q357 VanDerWaalsContact NH2-CD 3.28Å; P355-Q357 PolarHBondContact O-N 3.23Å; P355-Q357 VanDerWaalsContact O-N 3.17Å; Q357-G359 PolarHBondContact O-N 3.33Å
358P56.3Low49Very low123 Ų123148.6 Ų148.680%0.79980%0.795SS**PPolyproline II helixtrans-62.9126.2168.2-15.628.1000109.2
359G60.1Low48.9Very low62 Ų62150.7 Ų150.764%0.63980%0.797SS**PPolyproline II helixtrans-65.4158175.900000112.2Q357Q357-G359 PolarHBondContact O-N 3.33Å
360P63.7Low48.8Very low119 Ų119145.1 Ų145.177%0.77379%0.791SS**PPolyproline II helixtrans-63.6148.417727-33.5000111.2Q362P360-Q362 PolarHBondContact O-N 3.15Å
361P56.8Low48.9Very low127 Ų127145.2 Ų145.283%0.82579%0.791SS**PPolyproline II helixtrans-62.3123.1175.624.7-31.5000109.8G363P361-G363 PolarHBondContact O-N 3.27Å
362Q51.8Low49.3Very low188 Ų188149.7 Ų149.788%0.87980%0.8SS**PPolyproline II helixtrans-60.8125.4169.6-73.1-177-19.100108.7P360 Q364P360-Q362 PolarHBondContact O-N 3.15Å; Q362-Q364 PolarHBondContact O-N 3.19Å
363G47.6Very low49.6Very low69 Ų69154.1 Ų154.171%0.71180%0.801SS**PPolyproline II helixtrans-56.1128.4175.400000110.4P361 Q365P361-G363 PolarHBondContact O-N 3.27Å; G363-Q365 PolarHBondContact O-N 3.2Å; G363-Q365 VanDerWaalsContact O-N 3.15Å
364Q48.3Very low50.1Low189 Ų189145.9 Ų145.988%0.88379%0.788SS**PPolyproline II helixtrans-61.2118.4171.6-66.8-173.626.500108.5Q362 Q366Q362-Q364 PolarHBondContact O-N 3.19Å; Q364-Q366 PolarHBondContact O-N 3.41Å
365Q49.5Very low50.2Low187 Ų187145 Ų14587%0.87479%0.792SS**PPolyproline II helixtrans-61.1119.7170.5-74.7171.17.700108.7G363 R367G363-Q365 PolarHBondContact O-N 3.2Å; G363-Q365 VanDerWaalsContact O-N 3.15Å; Q365-R367 PolarHBondContact O-N 3.48Å
366Q46.8Very low50Low186 Ų186147.4 Ų147.487%0.86980%0.796SS**PPolyproline II helixtrans-59.8119.2171.6-63.5174.648.300108.2Q364Q364-Q366 PolarHBondContact O-N 3.41Å
367R43.4Very low49.8Very low229 Ų229151.7 Ų151.786%0.86480%0.795SS**PPolyproline II helixtrans-66.8137.2172.9-66.8-164.4-131.9-92.12.3109.4Q365Q365-R367 PolarHBondContact O-N 3.48Å
368P49.6Very low50Low124 Ų124158.4 Ų158.481%0.80582%0.822SS**PPolyproline II helixtrans-64.1137.8172.1-18.731.1000111.3G370P368-G370 PolarHBondContact O-N 3.21Å
369Y40.9Very low49.7Very low220 Ų220160.2 Ų160.286%0.86382%0.824SS**  trans-58.1112.6174-67.7-91.6000110.8
370G43.5Very low49.1Very low75 Ų75165.4 Ų165.477%0.77383%0.833SS**  trans-83.7112.8164.600000109.4P368 D372P368-G370 PolarHBondContact O-N 3.21Å; G370-D372 PolarHBondContact O-N 3.49Å
371Y40.1Very low48.3Very low227 Ų227167.9 Ų167.989%0.8984%0.837SS**  trans-67.5104.6164.6-79.7-92000108.6Q373Y371-Q373 PolarHBondContact O-N 2.98Å
372D51.4Low47.8Very low160 Ų160170.4 Ų170.486%0.85684%0.837SS**  trans-84.6104.1163.1-163.8-108.4000108.4G370 G374G370-D372 PolarHBondContact O-N 3.49Å; D372-G374 PolarHBondContact O-N 3.24Å
373Q46.6Very low47.6Very low164 Ų164169.3 Ų169.377%0.76684%0.835SS**  trans-74.4115.3179.1-168.6-178.160.700108.3Y371Y371-Q373 PolarHBondContact O-N 2.98Å
374G53.7Low47.6Very low63 Ų63175.9 Ų175.965%0.64984%0.843SS**  trans-54.5139.9-171.100000114.9D372D372-G374 PolarHBondContact O-N 3.24Å
375H49.1Very low47.5Very low165 Ų165175 Ų17576%0.76484%0.84SS**  trans-151.6105162.1-88.679.6000109.9
376M49.7Very low47.4Very low154 Ų154174.1 Ų174.176%0.75984%0.838SS**  trans169.5134.9142.9-100.5-169.8-81.400108.1
377R51.8Low47.4Very low218 Ų218173.1 Ų173.182%0.82384%0.835SS**  cis-167.3156.3-0.7-135.1177.7-125.5172.63.3105.5
378K49.4Very low47.8Very low278 Ų278168 Ų168100%1.20983%0.832SS**  trans-550163.1-85.3172167.11770112.1

Retrieved 378 of 378 residues in 454.6 ms (Link to these results)