A0A087XYR2_POEFO Loading...

Canopy FGF signaling regulator 4

AlphaFold DB , UniProt , Accession A0A087XYR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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
1M36.5Very low47.7Very low247 Ų247143.5 Ų143.5100%1.21780%0.803SS**  0121.90-76175.2-84.100107.6
2K37.5Very low47.2Very low194 Ų194138.4 Ų138.484%0.84378%0.782SS**  trans-76.6127.6-170.9-70.8168.1171175.90109.9F4K2-F4 HydrophobicContact CB-CD2 4.44Å; K2-F4 HydrophobicContact CD-CE2 4.45Å
3A43.3Very low47.4Very low95 Ų95132.8 Ų132.879%0.78578%0.775SS**  trans-104.2101.7165.100000108
4F43.6Very low47.1Very low184 Ų184136.4 Ų136.481%0.80778%0.777SS**  trans-82.7110168.5-96.9-93.8000107.6K2K2-F4 HydrophobicContact CB-CD2 4.44Å; K2-F4 HydrophobicContact CD-CE2 4.45Å
5I54.1Low47.2Very low161 Ų161134.1 Ų134.183%0.82678%0.781SS**  trans-91.4108.6165.7-64.9179.1000106.6A7I5-A7 PolarHBondContact O-N 3.42Å
6L46.4Very low46.9Very low152 Ų152130.9 Ų130.980%0.79678%0.775SS**  trans-71.699.1174.5-117.5144.3000108.3V8L6-V8 PolarHBondContact O-N 2.78Å
7A52Low46.8Very low82 Ų82128.2 Ų128.268%0.67878%0.781SS**  trans-74.799.9166.400000108.2I5 V9I5-A7 PolarHBondContact O-N 3.42Å; A7-V9 VanDerWaalsContact C-N 3.33Å; A7-V9 PolarHBondContact O-N 3.24Å
8V55Low46.4Very low124 Ų124125.7 Ų125.775%0.75277%0.77SS**  trans-71.893.9167.7176.80000107L6 C10L6-V8 PolarHBondContact O-N 2.78Å; V8-C10 PolarHBondContact O-N 2.98Å; V8-C10 VanDerWaalsContact O-N 3.09Å
9V56Low46.5Very low115 Ų115129.9 Ų129.970%0.69778%0.78SS**  trans-72.797167.4-178.80000106.6A7 V11A7-V9 VanDerWaalsContact C-N 3.33Å; A7-V9 PolarHBondContact O-N 3.24Å; V9-V11 VanDerWaalsContact C-N 3.26Å; V9-V11 HydrophobicContact CG1-CG2 3.73Å; V9-V11 PolarHBondContact O-N 3.46Å
10C50.1Low46.5Very low102 Ų102129.5 Ų129.569%0.68977%0.773SS**  trans-70.689.1166.7-164.60000107.5V8 C12V8-C10 PolarHBondContact O-N 2.98Å; V8-C10 VanDerWaalsContact O-N 3.09Å; C10-C12 PolarHBondContact O-N 3.02Å
11V50.4Low47.2Very low122 Ų122129.6 Ų129.674%0.73977%0.766SS**  trans-71.790.4165.6-177.60000106V9 G13V9-V11 VanDerWaalsContact C-N 3.26Å; V9-V11 HydrophobicContact CG1-CG2 3.73Å; V9-V11 PolarHBondContact O-N 3.46Å; V11-G13 PolarHBondContact O-N 3.45Å
12C41.9Very low49.2Very low83 Ų83121.4 Ų121.456%0.56172%0.721SS**  trans-66.386.8160.1-66.80000106.9C10 F14C10-C12 PolarHBondContact O-N 3.02Å; C12-F14 HydrophobicContact CB-CD2 3.87Å; C12-F14 HydrophobicContact CB-CE2 3.61Å; C12-F14 HydrophobicContact CB-CZ 4.43Å; C12-F14 PolarHBondContact O-N 3.13Å
13G49.7Very low51.6Low66 Ų66116.8 Ų116.868%0.6871%0.705SS**  trans-64.287.1161.100000107.7V11 A15V11-G13 PolarHBondContact O-N 3.45Å; G13-A15 PolarHBondContact O-N 3.19Å
14F42.9Very low53.9Low183 Ų183112.5 Ų112.580%0.80367%0.669SS**  trans-70.787.9161.6-74.9-79000106.7C12 A16C12-F14 HydrophobicContact CB-CD2 3.87Å; C12-F14 HydrophobicContact CB-CE2 3.61Å; C12-F14 HydrophobicContact CB-CZ 4.43Å; C12-F14 PolarHBondContact O-N 3.13Å; F14-A16 PolarHBondContact O-N 3.09Å
15A49.3Very low56.3Low102 Ų102107 Ų10784%0.84365%0.649SS**  trans-66.582.9156.800000106.9G13 G17G13-A15 PolarHBondContact O-N 3.19Å; A15-G17 VanDerWaalsContact C-N 3.26Å; A15-G17 PolarHBondContact O-N 3.42Å; A15-G17 VanDerWaalsContact O-N 3.09Å
16A41.2Very low58.2Low82 Ų82105.3 Ų105.368%0.67864%0.635SS**  trans-77.586.7166.600000107.1F14 S18F14-A16 PolarHBondContact O-N 3.09Å; A16-S18 PolarHBondContact O-N 2.87Å
17G46.4Very low60.5Low86 Ų8698.2 Ų98.289%0.88760%0.599SS**  trans-69.684.4152.100000107.5A15A15-G17 VanDerWaalsContact C-N 3.26Å; A15-G17 PolarHBondContact O-N 3.42Å; A15-G17 VanDerWaalsContact O-N 3.09Å
18S38.3Very low62.6Low82 Ų8294.5 Ų94.557%0.57357%0.567SS**  trans-91.1133.2157.549.30000106.7A16 D20A16-S18 PolarHBondContact O-N 2.87Å; S18-D20 PolarHBondContact O-N 2.72Å
19E49.3Very low64.6Low206 Ų20688.6 Ų88.696%0.96353%0.531SS*.  trans-60.782.2158.5-63.9-177.1126.400106.4E21E19-E21 PolarHBondContact O-N 3.41Å
20D45.8Very low66.5Low121 Ų12183.1 Ų83.165%0.64750%0.498SS*.  trans-73.4118.9179.6-170.348.3000105.8S18 R22S18-D20 PolarHBondContact O-N 2.72Å; D20-R22 PolarHBondContact O-N 3.49Å
21E60.5Low68.7Low133 Ų13379.1 Ų79.162%0.62147%0.469SS*.  trans-65.178.6171.1-162.8168170.800107E19 L23 A136E19-E21 PolarHBondContact O-N 3.41Å; E21-L23 PolarHBondContact O-N 3.14Å; E21-A136 VanDerWaalsContact OE1-CB 3.29Å; E21-A136 WeakPolarHBondContact OE1-CB 3.32Å
22R80.1Confident70.9Confident74 Ų7473.8 Ų73.828%0.27944%0.436SS..  trans-67.4100.9-167.4-179.4178.391.874.3-18.3108.4D20 E28 G97 R100 E137D20-R22 PolarHBondContact O-N 3.49Å; R22-E28 IonicContact CZ-OE1 3.17Å; R22-E28 IonicContact CZ-OE2 3.92Å; R22-E28 IonicContact NH1-OE1 3.2Å; R22-E28 PolarHBondContact NH1-OE1 3.13Å; R22-E28 VanDerWaalsContact NH1-OE1 3.1Å; R22-E28 IonicContact NH1-OE2 3.36Å; R22-E28 PolarHBondContact NH1-OE2 2.93Å; R22-E28 IonicContact NH2-OE1 3.77Å; R22-E28 PolarHBondContact NH2-OE1 2.8Å; R22-E28 IonicContact NH2-OE2 3.11Å; R22-G97 PolarHBondContact NH2-O 3.31Å; R22-R100 VanDerWaalsContact CZ-NE 3.35Å; R22-R100 VanDerWaalsContact NE-NH2 3.12Å; R22-R100 VanDerWaalsContact NH1-NH2 3.18Å; R22-R100 PolarHBondContact O-NH2 3.05Å; R22-E137 VanDerWaalsContact O-CG 3.3Å; R22-E137 WeakPolarHBondContact O-CG 3.44Å
23L87.3Confident73.5Confident97 Ų9769.9 Ų69.951%0.50841%0.41SS..PPolyproline II helixtrans-61.7146.3176.4-63.9177.5000111.2E21 N25 N140E21-L23 PolarHBondContact O-N 3.14Å; L23-N25 PolarHBondContact O-N 2.89Å; L23-N140 HydrophobicContact CD2-CB 4.26Å
24P92Very high75.7Confident5 Ų566.8 Ų66.83%0.03238%0.377CS..PPolyproline II helixtrans-62.4134.7175.418.7-23000109.6E28 V29 Y101 M141 Q144P24-E28 WeakPolarHBondContact CA-OE2 3.38Å; P24-V29 HydrophobicContact CB-CG2 4.1Å; P24-Y101 WeakPolarHBondContact CB-OH 3.39Å; P24-M141 HydrophobicContact CB-CB 4.22Å; P24-M141 HydrophobicContact CB-CG 4.02Å; P24-M141 HydrophobicContact CG-CB 3.74Å; P24-M141 HydrophobicContact CG-CG 4.07Å; P24-Q144 PolarHBondContact O-NE2 3.02Å
25N93.2Very high78.2Confident69 Ų6961 Ų6137%0.36935%0.354SS..PPolyproline II helixtrans-82.5166.7176.871.941.5000111L23 C27 E28 V29L23-N25 PolarHBondContact O-N 2.89Å; N25-C27 PolarHBondContact O-N 3.46Å; N25-C27 WeakPolarHBondContact OD1-CA 3.37Å; N25-C27 VanDerWaalsContact OD1-CB 3.25Å; N25-C27 WeakPolarHBondContact OD1-CB 3.45Å; N25-C27 PolarHBondContact OD1-N 3.48Å; N25-E28 PolarHBondContact N-OE2 3.02Å; N25-E28 PolarHBondContact O-N 3.45Å; N25-E28 VanDerWaalsContact OD1-CG 3.32Å; N25-E28 WeakPolarHBondContact OD1-CG 3.47Å; N25-E28 PolarHBondContact OD1-N 2.95Å; N25-V29 WeakPolarHBondContact O-CG2 3.38Å; N25-V29 PolarHBondContact O-N 3.43Å
26K94.3Very high80.5Confident125 Ų12556.1 Ų56.154%0.54331%0.313SS..Hα-helixtrans-58.6-35179.9-66.8-176.1177.1-174.20113.3C30 L178K26-C30 WeakPolarHBondContact O-CB 3.43Å; K26-C30 PolarHBondContact O-N 2.99Å; K26-L178 HydrophobicContact CB-CD2 4.07Å
27C95.2Very high83.1Confident4 Ų452.3 Ų52.33%0.02728%0.281CS..Hα-helixtrans-65.6-47.5178.9-171.70000110.9N25 C30 K31 L178 E182 C185N25-C27 PolarHBondContact O-N 3.46Å; N25-C27 WeakPolarHBondContact OD1-CA 3.37Å; N25-C27 VanDerWaalsContact OD1-CB 3.25Å; N25-C27 WeakPolarHBondContact OD1-CB 3.45Å; N25-C27 PolarHBondContact OD1-N 3.48Å; C27-C30 PolarHBondContact O-N 2.91Å; C27-K31 VanDerWaalsContact O-CB 3.25Å; C27-K31 WeakPolarHBondContact O-CB 3.45Å; C27-K31 PolarHBondContact O-N 2.98Å; C27-L178 HydrophobicContact CB-CD1 3.92Å; C27-L178 HydrophobicContact CB-CD2 3.88Å; C27-L178 VanDerWaalsContact SG-CD1 3.58Å; C27-E182 WeakPolarHBondContact CB-O 3.48Å; C27-E182 PolarHBondContact SG-O 3.14Å; C27-C185 VanDerWaalsContact CA-SG 3.6Å; C27-C185 HydrophobicContact CB-CB 3.89Å; C27-C185 WeakPolarHBondContact CB-SG 3.29Å; C27-C185 PolarHBondContact O-SG 3.15Å; C27-C185 WeakPolarHBondContact SG-CB 3.49Å; C27-C185 CovalentContact SG-SG 2.01Å; C27-C185 PolarHBondContact SG-SG 3.17Å
28E95.3Very high85.4Confident3 Ų350.1 Ų50.11%0.01425%0.248CC..Hα-helixtrans-58.7-50.8177.5-71.7168.116000110.2R22 P24 N25 C30 K31 F32 Y101R22-E28 IonicContact CZ-OE1 3.17Å; R22-E28 IonicContact CZ-OE2 3.92Å; R22-E28 IonicContact NH1-OE1 3.2Å; R22-E28 PolarHBondContact NH1-OE1 3.13Å; R22-E28 VanDerWaalsContact NH1-OE1 3.1Å; R22-E28 IonicContact NH1-OE2 3.36Å; R22-E28 PolarHBondContact NH1-OE2 2.93Å; R22-E28 IonicContact NH2-OE1 3.77Å; R22-E28 PolarHBondContact NH2-OE1 2.8Å; R22-E28 IonicContact NH2-OE2 3.11Å; P24-E28 WeakPolarHBondContact CA-OE2 3.38Å; N25-E28 PolarHBondContact N-OE2 3.02Å; N25-E28 PolarHBondContact O-N 3.45Å; N25-E28 VanDerWaalsContact OD1-CG 3.32Å; N25-E28 WeakPolarHBondContact OD1-CG 3.47Å; N25-E28 PolarHBondContact OD1-N 2.95Å; E28-C30 VanDerWaalsContact C-N 3.34Å; E28-C30 PolarHBondContact O-N 3.17Å; E28-K31 PolarHBondContact O-N 3.09Å; E28-F32 VanDerWaalsContact O-CD2 3.23Å; E28-F32 WeakPolarHBondContact O-CD2 3.41Å; E28-F32 PolarHBondContact O-N 3.11Å; E28-Y101 HydrophobicContact CB-CE2 4.18Å; E28-Y101 HydrophobicContact CG-CE2 4.22Å
29V96.7Very high88.1Confident1 Ų149.3 Ų49.31%0.00624%0.235CC..Hα-helixtrans-57.2-48.3178.1178.20000111P24 N25 F32 L33 M141 Q144 C145 M148P24-V29 HydrophobicContact CB-CG2 4.1Å; N25-V29 WeakPolarHBondContact O-CG2 3.38Å; N25-V29 PolarHBondContact O-N 3.43Å; V29-F32 PolarHBondContact O-N 3.48Å; V29-L33 VanDerWaalsContact O-CB 3.22Å; V29-L33 WeakPolarHBondContact O-CB 3.18Å; V29-L33 PolarHBondContact O-N 3.12Å; V29-M141 HydrophobicContact CG2-CG 4.17Å; V29-Q144 HydrophobicContact CB-CB 4.37Å; V29-Q144 HydrophobicContact CG1-CB 3.87Å; V29-Q144 HydrophobicContact CG2-CB 3.63Å; V29-Q144 HydrophobicContact CG2-CG 4.39Å; V29-C145 HydrophobicContact CG1-CB 4.34Å; V29-M148 HydrophobicContact CB-CE 3.91Å; V29-M148 HydrophobicContact CG1-CE 3.68Å; V29-M148 HydrophobicContact CG1-SD 4.16Å
30C97.1Very high90.2Very high0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-65.5-41.9-178.9-164.40000112.7K26 C27 E28 F32 L33 T34 M148 C173 V177K26-C30 WeakPolarHBondContact O-CB 3.43Å; K26-C30 PolarHBondContact O-N 2.99Å; C27-C30 PolarHBondContact O-N 2.91Å; E28-C30 VanDerWaalsContact C-N 3.34Å; E28-C30 PolarHBondContact O-N 3.17Å; C30-F32 PolarHBondContact O-N 3.34Å; C30-L33 PolarHBondContact O-N 3.44Å; C30-T34 WeakPolarHBondContact O-CB 3.22Å; C30-T34 WeakPolarHBondContact O-CG2 3.13Å; C30-T34 PolarHBondContact O-N 3.15Å; C30-T34 PolarHBondContact O-OG1 2.78Å; C30-M148 VanDerWaalsContact CA-SD 3.6Å; C30-M148 HydrophobicContact CB-CE 4.02Å; C30-M148 HydrophobicContact CB-SD 3.61Å; C30-C173 HydrophobicContact CB-CB 3.9Å; C30-C173 WeakPolarHBondContact CB-SG 3.41Å; C30-C173 PolarHBondContact O-SG 2.94Å; C30-C173 WeakPolarHBondContact SG-CA 3.39Å; C30-C173 WeakPolarHBondContact SG-CB 3.42Å; C30-C173 CovalentContact SG-SG 2.03Å; C30-C173 PolarHBondContact SG-SG 2.96Å; C30-V177 HydrophobicContact CB-CG1 4.23Å
31K96.2Very high92.5Very high18 Ų1834.4 Ų34.48%0.07816%0.163CC..Hα-helixtrans-56-51.9176.6179176.1-178.1175.10111.6C27 E28 T34 M35 S98 C185 L186C27-K31 VanDerWaalsContact O-CB 3.25Å; C27-K31 WeakPolarHBondContact O-CB 3.45Å; C27-K31 PolarHBondContact O-N 2.98Å; E28-K31 PolarHBondContact O-N 3.09Å; K31-T34 PolarHBondContact O-OG1 3.35Å; K31-T34 VanDerWaalsContact O-OG1 3.14Å; K31-M35 WeakPolarHBondContact O-CB 3.29Å; K31-M35 PolarHBondContact O-N 3.02Å; K31-S98 PolarHBondContact NZ-OG 3.13Å; K31-C185 WeakPolarHBondContact CD-O 3.45Å; K31-C185 PolarHBondContact NZ-O 3.25Å; K31-L186 HydrophobicContact CB-CD2 3.89Å; K31-L186 HydrophobicContact CD-CD2 4.48Å; K31-L186 HydrophobicContact CG-CD2 4.22Å
32F96Very high94Very high10 Ų1034.6 Ų34.64%0.04416%0.164CC..Hα-helixtrans-75.1-34.3-177.3-74.5-83.1000112.8E28 V29 C30 M35 E36 I86 Y89 S98 Y101 M141E28-F32 VanDerWaalsContact O-CD2 3.23Å; E28-F32 WeakPolarHBondContact O-CD2 3.41Å; E28-F32 PolarHBondContact O-N 3.11Å; V29-F32 PolarHBondContact O-N 3.48Å; C30-F32 PolarHBondContact O-N 3.34Å; F32-M35 HydrophobicContact CD1-CE 3.25Å; F32-M35 HydrophobicContact CE1-CE 3.5Å; F32-M35 VanDerWaalsContact CE1-CE 3.5Å; F32-M35 HydrophobicContact CG-CE 4.22Å; F32-E36 WeakPolarHBondContact O-CB 3.43Å; F32-E36 WeakPolarHBondContact O-CG 3.45Å; F32-E36 PolarHBondContact O-N 3.24Å; F32-I86 HydrophobicContact CB-CD1 3.94Å; F32-Y89 HydrophobicContact CD1-CD1 4.23Å; F32-Y89 AromaticContact CD1-CE1 3.57Å; F32-Y89 HydrophobicContact CD1-CE1 3.57Å; F32-Y89 HydrophobicContact CD1-CE2 4.31Å; F32-Y89 AromaticContact CD1-CZ 3.59Å; F32-Y89 HydrophobicContact CE1-CD1 4.02Å; F32-Y89 AromaticContact CE1-CE1 3.37Å; F32-Y89 HydrophobicContact CE1-CE1 3.37Å; F32-Y89 AromaticContact CE1-CZ 3.88Å; F32-Y89 HydrophobicContact CZ-CE1 4.49Å; F32-S98 WeakPolarHBondContact CE2-O 3.45Å; F32-S98 WeakPolarHBondContact CZ-O 3.44Å; F32-Y101 HydrophobicContact CD2-CD2 4.32Å; F32-Y101 AromaticContact CE2-CD2 3.72Å; F32-Y101 HydrophobicContact CE2-CD2 3.72Å; F32-Y101 HydrophobicContact CE2-CG 4.16Å; F32-Y101 HydrophobicContact CZ-CD2 4.29Å; F32-Y101 HydrophobicContact CZ-CG 4.37Å; F32-Y101 WeakPolarHBondContact CZ-O 3.19Å; F32-M141 HydrophobicContact CB-CE 3.37Å; F32-M141 HydrophobicContact CD2-CE 3.28Å; F32-M141 HydrophobicContact CE2-CE 4.23Å; F32-M141 HydrophobicContact CG-CE 3.47Å; F32-M141 VanDerWaalsContact CG-CE 3.47Å
33L96.6Very high94.6Very high1 Ų137 Ų371%0.00518%0.176CC..Hα-helixtrans-55.2-55.5170.617490.3000110.7V29 C30 E36 L37 I82 C145 M148 L149 L172V29-L33 VanDerWaalsContact O-CB 3.22Å; V29-L33 WeakPolarHBondContact O-CB 3.18Å; V29-L33 PolarHBondContact O-N 3.12Å; C30-L33 PolarHBondContact O-N 3.44Å; L33-E36 PolarHBondContact O-N 3.2Å; L33-L37 WeakPolarHBondContact O-CB 3.1Å; L33-L37 PolarHBondContact O-N 3.33Å; L33-I82 HydrophobicContact CD1-CG2 4.37Å; L33-C145 HydrophobicContact CD1-CB 4.49Å; L33-C145 WeakPolarHBondContact CD1-SG 3.27Å; L33-M148 HydrophobicContact CD2-CG 4.2Å; L33-M148 HydrophobicContact CD2-SD 3.97Å; L33-L149 HydrophobicContact CD1-CB 4.19Å; L33-L149 HydrophobicContact CD1-CD1 4.33Å; L33-L149 HydrophobicContact CD1-CD2 4.43Å; L33-L172 HydrophobicContact CD2-CD2 3.8Å
34T96.6Very high94.7Very high0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-67.7-40.2-175.454.90000112C30 K31 L37 E38 L168 L172 C173C30-T34 WeakPolarHBondContact O-CB 3.22Å; C30-T34 WeakPolarHBondContact O-CG2 3.13Å; C30-T34 PolarHBondContact O-N 3.15Å; C30-T34 PolarHBondContact O-OG1 2.78Å; K31-T34 PolarHBondContact O-OG1 3.35Å; K31-T34 VanDerWaalsContact O-OG1 3.14Å; T34-L37 PolarHBondContact O-N 3.45Å; T34-E38 WeakPolarHBondContact O-CB 2.97Å; T34-E38 WeakPolarHBondContact O-CG 3.27Å; T34-E38 PolarHBondContact O-N 2.83Å; T34-L168 HydrophobicContact CG2-CD2 3.95Å; T34-L168 HydrophobicContact CG2-CG 3.68Å; T34-L172 HydrophobicContact CG2-CB 4.21Å; T34-L172 HydrophobicContact CG2-CD2 3.77Å; T34-L172 HydrophobicContact CG2-CG 4.43Å; T34-C173 VanDerWaalsContact CG2-SG 3.51Å
35M95.3Very high94.5Very high62 Ų6235.6 Ų35.631%0.30518%0.178SC..Hα-helixtrans-61.3-45.4175.1-175.7178.160.400112.4K31 F32 E39 Y89K31-M35 WeakPolarHBondContact O-CB 3.29Å; K31-M35 PolarHBondContact O-N 3.02Å; F32-M35 HydrophobicContact CD1-CE 3.25Å; F32-M35 HydrophobicContact CE1-CE 3.5Å; F32-M35 VanDerWaalsContact CE1-CE 3.5Å; F32-M35 HydrophobicContact CG-CE 4.22Å; M35-E39 WeakPolarHBondContact O-CB 3.4Å; M35-E39 PolarHBondContact O-N 2.86Å; M35-Y89 WeakPolarHBondContact CE-OH 3.2Å
36E96.2Very high94.1Very high0 Ų042.4 Ų42.40%020%0.198CC..Hα-helixtrans-68.1-37.6178.2-75.4-64.2143.200112.4F32 L33 E39 A40 I82 R85 I86 Y89 K103F32-E36 WeakPolarHBondContact O-CB 3.43Å; F32-E36 WeakPolarHBondContact O-CG 3.45Å; F32-E36 PolarHBondContact O-N 3.24Å; L33-E36 PolarHBondContact O-N 3.2Å; E36-E39 PolarHBondContact O-N 2.92Å; E36-A40 VanDerWaalsContact O-CB 3.26Å; E36-A40 WeakPolarHBondContact O-CB 3.06Å; E36-A40 PolarHBondContact O-N 3.25Å; E36-I82 HydrophobicContact CB-CG2 3.82Å; E36-R85 WeakPolarHBondContact OE2-CD 3.32Å; E36-I86 HydrophobicContact CG-CD1 4.26Å; E36-Y89 HydrophobicContact CG-CE2 4.38Å; E36-Y89 WeakPolarHBondContact OE1-CE2 3.29Å; E36-Y89 PolarHBondContact OE1-OH 3.08Å; E36-K103 WeakPolarHBondContact OE1-CE 3.21Å; E36-K103 IonicContact OE1-NZ 2.92Å; E36-K103 PolarHBondContact OE1-NZ 2.84Å; E36-K103 IonicContact OE2-NZ 3.1Å
37L96.3Very high93.8Very high1 Ų138.3 Ų38.31%0.00519%0.185CC..Hα-helixtrans-64.5-47.2175.8-179.943.9000111.3L33 T34 E39 A40 L41 A78 I82 V156 L168L33-L37 WeakPolarHBondContact O-CB 3.1Å; L33-L37 PolarHBondContact O-N 3.33Å; T34-L37 PolarHBondContact O-N 3.45Å; L37-E39 PolarHBondContact O-N 3.06Å; L37-A40 PolarHBondContact O-N 3.03Å; L37-L41 HydrophobicContact CD1-CD1 3.75Å; L37-L41 HydrophobicContact CD1-CG 3.84Å; L37-L41 HydrophobicContact CG-CD1 4.22Å; L37-L41 WeakPolarHBondContact O-CB 3.45Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 3.04Å; L37-A78 HydrophobicContact CD1-CB 4.01Å; L37-I82 HydrophobicContact CB-CD1 3.59Å; L37-I82 HydrophobicContact CB-CG1 4.45Å; L37-I82 HydrophobicContact CD1-CD1 3.22Å; L37-I82 HydrophobicContact CD2-CD1 4.31Å; L37-I82 HydrophobicContact CG-CD1 3.82Å; L37-V156 HydrophobicContact CD2-CG1 3.64Å; L37-L168 HydrophobicContact CB-CD2 3.9Å; L37-L168 HydrophobicContact CD2-CD2 3.45Å; L37-L168 VanDerWaalsContact CD2-CD2 3.45Å; L37-L168 HydrophobicContact CG-CD2 3.7Å
38E94.8Very high93.4Very high41 Ų4147.7 Ų47.719%0.19223%0.226CC..Hα-helixtrans-59-46.6174.7-73.4-170.1141.400111.2T34 A40 L41 E42 W159 R167 L168T34-E38 WeakPolarHBondContact O-CB 2.97Å; T34-E38 WeakPolarHBondContact O-CG 3.27Å; T34-E38 PolarHBondContact O-N 2.83Å; E38-A40 PolarHBondContact O-N 3.3Å; E38-L41 PolarHBondContact O-N 2.03Å; E38-E42 WeakPolarHBondContact O-CB 3.39Å; E38-E42 PolarHBondContact O-N 2.94Å; E38-W159 HydrophobicContact CG-CH2 4.43Å; E38-R167 VanDerWaalsContact OE1-CA 3.27Å; E38-R167 WeakPolarHBondContact OE1-CA 3.23Å; E38-R167 IonicContact OE2-CZ 2.78Å; E38-R167 IonicContact OE2-NE 3.67Å; E38-R167 IonicContact OE2-NH2 3.67Å; E38-R167 PolarHBondContact OE2-NH2 2.87Å; E38-R167 VanDerWaalsContact OE2-NH2 3.17Å; E38-L168 HydrophobicContact CG-CB 3.83Å; E38-L168 PolarHBondContact OE1-N 3.06Å
39E94.4Very high93.1Very high65 Ų6552.6 Ų52.630%0.30425%0.249SC..Hα-helixtrans-63.2-40.2178.8-167.6-171158.400111.9M35 E36 L37 K43 K103M35-E39 WeakPolarHBondContact O-CB 3.4Å; M35-E39 PolarHBondContact O-N 2.86Å; E36-E39 PolarHBondContact O-N 2.92Å; L37-E39 PolarHBondContact O-N 3.06Å; E39-K43 VanDerWaalsContact O-CG 3.3Å; E39-K43 WeakPolarHBondContact O-CG 3.38Å; E39-K43 PolarHBondContact O-N 2.79Å; E39-K43 VanDerWaalsContact O-N 3.15Å; E39-K43 WeakPolarHBondContact OE1-CE 3.42Å; E39-K43 IonicContact OE1-NZ 3.7Å; E39-K43 PolarHBondContact OE1-NZ 3.06Å; E39-K103 IonicContact OE2-NZ 2.67Å; E39-K103 PolarHBondContact OE2-NZ 3.31Å
40A94Very high92.7Very high5 Ų556 Ų564%0.04127%0.269CS..Hα-helixtrans-65.4-43.517700000111.8E36 L37 E38 T44 I82E36-A40 VanDerWaalsContact O-CB 3.26Å; E36-A40 WeakPolarHBondContact O-CB 3.06Å; E36-A40 PolarHBondContact O-N 3.25Å; L37-A40 PolarHBondContact O-N 3.03Å; E38-A40 PolarHBondContact O-N 3.3Å; A40-T44 PolarHBondContact O-N 2.91Å; A40-T44 PolarHBondContact O-OG1 3.2Å; A40-I82 HydrophobicContact CB-CG1 4.44Å
41L93.7Very high92.2Very high9 Ų957.4 Ų57.45%0.04728%0.277CS..Hα-helixtrans-67.7-40.6176.6-70.1177.3000111.4L37 E38 K43 T44 G45 R74 A78 W159 Y160L37-L41 HydrophobicContact CD1-CD1 3.75Å; L37-L41 HydrophobicContact CD1-CG 3.84Å; L37-L41 HydrophobicContact CG-CD1 4.22Å; L37-L41 WeakPolarHBondContact O-CB 3.45Å; L37-L41 WeakPolarHBondContact O-CG 3.46Å; L37-L41 PolarHBondContact O-N 3.04Å; E38-L41 PolarHBondContact O-N 2.03Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 3.26Å; L41-T44 PolarHBondContact O-N 3.21Å; L41-T44 PolarHBondContact O-OG1 2.76Å; L41-T44 VanDerWaalsContact O-OG1 3.1Å; L41-G45 PolarHBondContact O-N 3.34Å; L41-R74 HydrophobicContact CD2-CG 4.36Å; L41-R74 PolarHBondContact O-NH2 3.3Å; L41-A78 HydrophobicContact CD2-CB 3.85Å; L41-A78 HydrophobicContact CG-CB 4.41Å; L41-W159 HydrophobicContact CD1-CH2 4.11Å; L41-W159 HydrophobicContact CD1-CZ3 3.72Å; L41-Y160 HydrophobicContact CD1-CD2 3.92Å; L41-Y160 HydrophobicContact CD1-CE2 4.13Å; L41-Y160 HydrophobicContact CD2-CD2 4.41Å; L41-Y160 HydrophobicContact CD2-CE2 3.85Å
42E93Very high91.6Very high136 Ų13660.4 Ų60.464%0.63629%0.291SS*.Hα-helixtrans-60.9-42.3177.8-170.8-179.6179.600111.6E38 T44 G45E38-E42 WeakPolarHBondContact O-CB 3.39Å; E38-E42 PolarHBondContact O-N 2.94Å; E42-T44 VanDerWaalsContact C-N 3.33Å; E42-T44 PolarHBondContact O-N 3.02Å; E42-G45 PolarHBondContact O-N 2.99Å
43K91.7Very high90.9Very high124 Ų12463.8 Ų63.854%0.53931%0.312SS..Hα-helixtrans-59.1-42.7176.2-75.3170.4-176.8168.60112.2E39 L41E39-K43 VanDerWaalsContact O-CG 3.3Å; E39-K43 WeakPolarHBondContact O-CG 3.38Å; E39-K43 PolarHBondContact O-N 2.79Å; E39-K43 VanDerWaalsContact O-N 3.15Å; E39-K43 WeakPolarHBondContact OE1-CE 3.42Å; E39-K43 IonicContact OE1-NZ 3.7Å; E39-K43 PolarHBondContact OE1-NZ 3.06Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 3.26Å
44T90.4Very high89.9Confident44 Ų4466.1 Ų66.127%0.2734%0.337SS..Hα-helixtrans-83.9-18.5-178.459.60000113.4A40 L41 E42 R46 S47 R74A40-T44 PolarHBondContact O-N 2.91Å; A40-T44 PolarHBondContact O-OG1 3.2Å; L41-T44 PolarHBondContact O-N 3.21Å; L41-T44 PolarHBondContact O-OG1 2.76Å; L41-T44 VanDerWaalsContact O-OG1 3.1Å; E42-T44 VanDerWaalsContact C-N 3.33Å; E42-T44 PolarHBondContact O-N 3.02Å; T44-R46 PolarHBondContact O-N 3Å; T44-R46 VanDerWaalsContact O-N 3.1Å; T44-S47 VanDerWaalsContact O-CB 3.26Å; T44-S47 WeakPolarHBondContact O-CB 3.5Å; T44-S47 PolarHBondContact O-N 2.87Å; T44-R74 PolarHBondContact OG1-NE 3.21Å
45G87Confident88.5Confident30 Ų3073.6 Ų73.631%0.30937%0.371SS..THydrogen-bonded Turntrans-65.4-16.1-174.700000115.1L41 E42 N69L41-G45 PolarHBondContact O-N 3.34Å; E42-G45 PolarHBondContact O-N 2.99Å; G45-N69 PolarHBondContact O-ND2 3.33Å; G45-N69 VanDerWaalsContact O-ND2 3.1Å
46R86.1Confident87.1Confident212 Ų21275.7 Ų75.780%0.839%0.388SS*.THydrogen-bonded Turntrans-87.3-5.8175.5-62.2-177.5-177.1173.13.8113.4T44T44-R46 PolarHBondContact O-N 3Å; T44-R46 VanDerWaalsContact O-N 3.1Å
47S87.2Confident85.5Confident39 Ų3980.6 Ų80.627%0.27341%0.413SS..  trans-61.2142.9178.1-173.10000110.6T44 E49 N69T44-S47 VanDerWaalsContact O-CB 3.26Å; T44-S47 WeakPolarHBondContact O-CB 3.5Å; T44-S47 PolarHBondContact O-N 2.87Å; S47-E49 VanDerWaalsContact OG-CB 3.28Å; S47-E49 WeakPolarHBondContact OG-CB 3.25Å; S47-E49 PolarHBondContact OG-N 2.93Å; S47-N69 PolarHBondContact O-ND2 2.68Å; S47-N69 PolarHBondContact O-OD1 2.83Å; S47-N69 VanDerWaalsContact O-OD1 3.08Å
48K86.8Confident83.9Confident200 Ų20088.4 Ų88.487%0.8746%0.455SS*.  trans-107.215.5171.9-65.3-175-173.7179.10111.6
49E89.3Confident82.4Confident106 Ų10692.7 Ų92.750%0.49548%0.484SS..  trans-62143.7-178.5-176.8170.1-175.600111.9S47 Y68S47-E49 VanDerWaalsContact OG-CB 3.28Å; S47-E49 WeakPolarHBondContact OG-CB 3.25Å; S47-E49 PolarHBondContact OG-N 2.93Å; E49-Y68 HydrophobicContact CB-CG 4.27Å; E49-Y68 WeakPolarHBondContact O-CB 3.44Å; E49-Y68 PolarHBondContact O-N 3.43Å
50V89.1Confident80.7Confident72 Ų7292.8 Ų92.844%0.43650%0.502SS..EExtended strand (participates in β ladder)trans-126.6120.1179.8179.20000107.6K65 I66V50-K65 HydrophobicContact CG1-CB 3.64Å; V50-K65 HydrophobicContact CG1-CD 4.25Å; V50-K65 HydrophobicContact CG1-CG 4.09Å; V50-I66 CarbonylContact C-O 3.28Å; V50-I66 WeakPolarHBondContact CA-O 3.48Å
51L85.6Confident79.2Confident30 Ų30102.2 Ų102.216%0.15754%0.543CS..EExtended strand (participates in β ladder)trans-82.6133.8176.8-57.8177.4000109.3V53 K65 I66 Y68 S71 T73L51-V53 HydrophobicContact CB-CG2 4.48Å; L51-K65 WeakPolarHBondContact O-CA 3.49Å; L51-I66 PolarHBondContact N-O 3.21Å; L51-I66 PolarHBondContact O-N 3.42Å; L51-Y68 HydrophobicContact CD1-CD2 4.18Å; L51-Y68 HydrophobicContact CD2-CD2 4.24Å; L51-Y68 HydrophobicContact CG-CD2 4.35Å; L51-S71 WeakPolarHBondContact CD1-OG 3.05Å; L51-T73 HydrophobicContact CD1-CG2 4.32Å
52E83.6Confident77.6Confident82 Ų82112.7 Ų112.738%0.38358%0.582SS.*EExtended strand (participates in β ladder)trans-104.5103175.8-63.8-166.2149.800109.3R63 K65E52-R63 HydrophobicContact CB-CB 4.29Å; E52-R63 HydrophobicContact CB-CG 4.38Å; E52-R63 WeakPolarHBondContact OE2-CD 3.46Å; E52-R63 IonicContact OE2-CZ 2.85Å; E52-R63 IonicContact OE2-NE 2.71Å; E52-R63 PolarHBondContact OE2-NE 3Å; E52-R63 IonicContact OE2-NH1 3.69Å; E52-R63 PolarHBondContact OE2-NH1 3.36Å; E52-K65 HydrophobicContact CG-CG 4.38Å; E52-K65 WeakPolarHBondContact OE1-CE 3.38Å; E52-K65 IonicContact OE1-NZ 3.88Å; E52-K65 PolarHBondContact OE1-NZ 2.91Å; E52-K65 VanDerWaalsContact OE1-NZ 3.11Å
53V80.9Confident76.5Confident81 Ų81113.4 Ų113.449%0.49158%0.578SS.*EExtended strand (participates in β ladder)trans-102.6132.8-175.4-174.80000110.5L51 R64 I66L51-V53 HydrophobicContact CB-CG2 4.48Å; V53-R64 PolarHBondContact N-O 3.15Å; V53-R64 PolarHBondContact O-N 3.06Å; V53-I66 HydrophobicContact CB-CD1 4.45Å; V53-I66 HydrophobicContact CG2-CD1 3.98Å
54G75.4Confident75.8Confident50 Ų50116.9 Ų116.952%0.51559%0.588SS.*SBendtrans134.9152.6174.800000114.3
55E67.9Low75.5Confident156 Ų156121.8 Ų121.873%0.72961%0.606SS**  trans-85.3142.7-177.8-152.2178.4171.800112.3L57E55-L57 HydrophobicContact CB-CG 4.46Å; E55-L57 VanDerWaalsContact CD-CD1 3.47Å; E55-L57 VanDerWaalsContact CD-CG 3.46Å; E55-L57 HydrophobicContact CG-CD1 4.3Å; E55-L57 HydrophobicContact CG-CD2 4.2Å; E55-L57 HydrophobicContact CG-CG 3.79Å; E55-L57 WeakPolarHBondContact OE1-CD1 3.21Å; E55-L57 VanDerWaalsContact OE1-CD2 3.26Å; E55-L57 WeakPolarHBondContact OE1-CD2 3.48Å; E55-L57 WeakPolarHBondContact OE1-CG 3.48Å
56V66.6Low75.5Confident107 Ų107123.7 Ų123.765%0.64861%0.608SS**  trans-102.980.5171.1-176.30000107.8
57L60.9Low75.7Confident103 Ų103120.6 Ų120.654%0.53960%0.6SS.*  trans-94.491.3165.6-62.2178.8000107.3E55 T59E55-L57 HydrophobicContact CB-CG 4.46Å; E55-L57 VanDerWaalsContact CD-CD1 3.47Å; E55-L57 VanDerWaalsContact CD-CG 3.46Å; E55-L57 HydrophobicContact CG-CD1 4.3Å; E55-L57 HydrophobicContact CG-CD2 4.2Å; E55-L57 HydrophobicContact CG-CG 3.79Å; E55-L57 WeakPolarHBondContact OE1-CD1 3.21Å; E55-L57 VanDerWaalsContact OE1-CD2 3.26Å; E55-L57 WeakPolarHBondContact OE1-CD2 3.48Å; E55-L57 WeakPolarHBondContact OE1-CG 3.48Å; L57-T59 VanDerWaalsContact C-N 3.27Å; L57-T59 PolarHBondContact O-N 2.98Å; L57-T59 PolarHBondContact O-OG1 3.43Å
58D64.3Low75.8Confident165 Ų165119.5 Ų119.588%0.88259%0.59SS**SBendtrans59.12.1158.6-64.1-31.4000120.5
59T63.3Low75.8Confident130 Ų130112.2 Ų112.280%0.79856%0.561SS**SBendtrans-127.411-161.652.20000118L57L57-T59 VanDerWaalsContact C-N 3.27Å; L57-T59 PolarHBondContact O-N 2.98Å; L57-T59 PolarHBondContact O-OG1 3.43Å
60G58.5Low75.7Confident67 Ų67111.8 Ų111.869%0.69157%0.566SS**  trans63.560.3162.300000116.2
61K63.1Low75.8Confident204 Ų204108.7 Ų108.789%0.88755%0.547SS*.  trans122116.9154.3-69.1175.2-178.8177.80114.2
62R58.9Low76.1Confident229 Ų229113 Ų11386%0.86457%0.567SS**  -166.6101.4104.9-95.2179.2-168.2-1623.6109.9
63R69.2Low76.5Confident150 Ų150112.2 Ų112.257%0.56657%0.567SS**  trans-82.3118.6162.3-75.7-179.3145.1175.81.3108.2E52E52-R63 HydrophobicContact CB-CB 4.29Å; E52-R63 HydrophobicContact CB-CG 4.38Å; E52-R63 WeakPolarHBondContact OE2-CD 3.46Å; E52-R63 IonicContact OE2-CZ 2.85Å; E52-R63 IonicContact OE2-NE 2.71Å; E52-R63 PolarHBondContact OE2-NE 3Å; E52-R63 IonicContact OE2-NH1 3.69Å; E52-R63 PolarHBondContact OE2-NH1 3.36Å
64R78.1Confident77.1Confident198 Ų198109.1 Ų109.175%0.74755%0.547SS*.EExtended strand (participates in β ladder)trans-78.2126.2169-70.1-174.3-178.1-176.61.8107.4V53V53-R64 PolarHBondContact N-O 3.15Å; V53-R64 PolarHBondContact O-N 3.06Å
65K83.9Confident78Confident146 Ų146107 Ų10764%0.63552%0.524SS*.EExtended strand (participates in β ladder)trans-93.3113.7177.7-69.3-167.7179.7-150.60108.6V50 L51 E52V50-K65 HydrophobicContact CG1-CB 3.64Å; V50-K65 HydrophobicContact CG1-CD 4.25Å; V50-K65 HydrophobicContact CG1-CG 4.09Å; L51-K65 WeakPolarHBondContact O-CA 3.49Å; E52-K65 HydrophobicContact CG-CG 4.38Å; E52-K65 WeakPolarHBondContact OE1-CE 3.38Å; E52-K65 IonicContact OE1-NZ 3.88Å; E52-K65 PolarHBondContact OE1-NZ 2.91Å; E52-K65 VanDerWaalsContact OE1-NZ 3.11Å
66I86.8Confident79.3Confident70 Ų70102.6 Ų102.636%0.35951%0.508SS..EExtended strand (participates in β ladder)trans-111.9138.7177.7-57.7174.5000107.6V50 L51 V53V50-I66 CarbonylContact C-O 3.28Å; V50-I66 WeakPolarHBondContact CA-O 3.48Å; L51-I66 PolarHBondContact N-O 3.21Å; L51-I66 PolarHBondContact O-N 3.42Å; V53-I66 HydrophobicContact CB-CD1 4.45Å; V53-I66 HydrophobicContact CG2-CD1 3.98Å
67K89.6Confident80.5Confident148 Ų148101.7 Ų101.764%0.64350%0.496SS*.EExtended strand (participates in β ladder)trans-73132.2175.3-64.8179.8-177.5176.50109N69 T70 S71K67-N69 VanDerWaalsContact C-N 3.27Å; K67-N69 PolarHBondContact O-N 3.17Å; K67-T70 PolarHBondContact O-N 3.23Å; K67-T70 PolarHBondContact O-OG1 3.1Å; K67-S71 PolarHBondContact O-N 3.08Å
68Y89.9Confident82Confident15 Ų1597.3 Ų97.36%0.05948%0.475CS..G310 helixtrans-58.5-38.6177.2175.5-98.3000112.3E49 L51 T70 S71 R74 E77E49-Y68 HydrophobicContact CB-CG 4.27Å; E49-Y68 WeakPolarHBondContact O-CB 3.44Å; E49-Y68 PolarHBondContact O-N 3.43Å; L51-Y68 HydrophobicContact CD1-CD2 4.18Å; L51-Y68 HydrophobicContact CD2-CD2 4.24Å; L51-Y68 HydrophobicContact CG-CD2 4.35Å; Y68-T70 PolarHBondContact O-N 3.39Å; Y68-S71 PolarHBondContact O-N 3.1Å; Y68-S71 PolarHBondContact O-OG 2.75Å; Y68-R74 HydrophobicContact CD1-CB 4.25Å; Y68-R74 HydrophobicContact CD1-CG 4.29Å; Y68-R74 HydrophobicContact CD2-CB 4.22Å; Y68-R74 HydrophobicContact CE1-CB 3.86Å; Y68-R74 HydrophobicContact CE1-CG 3.66Å; Y68-R74 HydrophobicContact CE2-CB 3.82Å; Y68-R74 HydrophobicContact CE2-CG 4.45Å; Y68-R74 HydrophobicContact CG-CB 4.42Å; Y68-R74 VanDerWaalsContact O-CB 3.29Å; Y68-R74 WeakPolarHBondContact O-CB 3.37Å; Y68-R74 WeakPolarHBondContact O-CD 3.46Å; Y68-E77 VanDerWaalsContact CE2-OE2 3.31Å; Y68-E77 WeakPolarHBondContact CE2-OE2 3.03Å; Y68-E77 PolarHBondContact OH-OE2 2.9Å
69N87.8Confident83.5Confident47 Ų4790.5 Ų90.525%0.25144%0.439SS..G310 helixtrans-61.6-22.7-177.7-62.5-8000114.3G45 S47 K67 R74 Y160G45-N69 PolarHBondContact O-ND2 3.33Å; G45-N69 VanDerWaalsContact O-ND2 3.1Å; S47-N69 PolarHBondContact O-ND2 2.68Å; S47-N69 PolarHBondContact O-OD1 2.83Å; S47-N69 VanDerWaalsContact O-OD1 3.08Å; K67-N69 VanDerWaalsContact C-N 3.27Å; K67-N69 PolarHBondContact O-N 3.17Å; N69-R74 PolarHBondContact O-NH1 2.85Å; N69-Y160 PolarHBondContact O-OH 3.44Å
70T85.9Confident84.9Confident97 Ų9789.7 Ų89.760%0.59543%0.43SS*.G310 helixtrans-114.57.518060.90000112K67 Y68K67-T70 PolarHBondContact O-N 3.23Å; K67-T70 PolarHBondContact O-OG1 3.1Å; Y68-T70 PolarHBondContact O-N 3.39Å
71S91Very high86.3Confident8 Ų890.7 Ų90.76%0.05642%0.42CS..SBendtrans-84.7151.9179.165.10000110.9L51 K67 Y68 T73 R74 Y160L51-S71 WeakPolarHBondContact CD1-OG 3.05Å; K67-S71 PolarHBondContact O-N 3.08Å; Y68-S71 PolarHBondContact O-N 3.1Å; Y68-S71 PolarHBondContact O-OG 2.75Å; S71-T73 VanDerWaalsContact C-N 3.27Å; S71-R74 PolarHBondContact O-N 3.25Å; S71-R74 PolarHBondContact OG-N 2.83Å; S71-Y160 PolarHBondContact O-OH 3.33Å
72E91.8Very high87.9Confident120 Ų12081 Ų8156%0.56138%0.378SS*.Hα-helixtrans-60.4-38.2168-172.6-174.6151.200111.3R74 L75 T76 F161E72-R74 PolarHBondContact O-N 3.3Å; E72-R74 VanDerWaalsContact O-N 3.13Å; E72-L75 WeakPolarHBondContact O-CA 3.41Å; E72-L75 WeakPolarHBondContact O-CB 3.33Å; E72-L75 PolarHBondContact O-N 3Å; E72-T76 PolarHBondContact O-N 3.47Å; E72-T76 PolarHBondContact O-OG1 2.82Å; E72-F161 HydrophobicContact CB-CZ 4Å; E72-F161 HydrophobicContact CG-CZ 4.32Å
73T92.1Very high89.6Confident65 Ų6570.4 Ų70.440%0.39934%0.339SS..Hα-helixtrans-51.2-41.1176.3-49.10000113L51 S71 L75 T76 E77L51-T73 HydrophobicContact CD1-CG2 4.32Å; S71-T73 VanDerWaalsContact C-N 3.27Å; T73-L75 VanDerWaalsContact C-N 3.32Å; T73-L75 PolarHBondContact O-N 3.14Å; T73-T76 PolarHBondContact O-N 2.93Å; T73-E77 WeakPolarHBondContact O-CB 3.25Å; T73-E77 VanDerWaalsContact O-CG 3.29Å; T73-E77 WeakPolarHBondContact O-CG 3.25Å; T73-E77 PolarHBondContact O-N 2.01Å
74R93.8Very high90.9Very high17 Ų1767.9 Ų67.96%0.06433%0.333CS..Hα-helixtrans-64.9-37.1177.4173177.9170.3-124.6-2112.1L41 T44 Y68 N69 S71 E72 A78 Y160L41-R74 HydrophobicContact CD2-CG 4.36Å; L41-R74 PolarHBondContact O-NH2 3.3Å; T44-R74 PolarHBondContact OG1-NE 3.21Å; Y68-R74 HydrophobicContact CD1-CB 4.25Å; Y68-R74 HydrophobicContact CD1-CG 4.29Å; Y68-R74 HydrophobicContact CD2-CB 4.22Å; Y68-R74 HydrophobicContact CE1-CB 3.86Å; Y68-R74 HydrophobicContact CE1-CG 3.66Å; Y68-R74 HydrophobicContact CE2-CB 3.82Å; Y68-R74 HydrophobicContact CE2-CG 4.45Å; Y68-R74 HydrophobicContact CG-CB 4.42Å; Y68-R74 VanDerWaalsContact O-CB 3.29Å; Y68-R74 WeakPolarHBondContact O-CB 3.37Å; Y68-R74 WeakPolarHBondContact O-CD 3.46Å; N69-R74 PolarHBondContact O-NH1 2.85Å; S71-R74 PolarHBondContact O-N 3.25Å; S71-R74 PolarHBondContact OG-N 2.83Å; E72-R74 PolarHBondContact O-N 3.3Å; E72-R74 VanDerWaalsContact O-N 3.13Å; R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 2.76Å; R74-Y160 WeakPolarHBondContact CD-OH 3.37Å; R74-Y160 PolarHBondContact NH1-OH 3.42Å
75L94.7Very high91.7Very high5 Ų561.9 Ų61.93%0.02631%0.311CS..Hα-helixtrans-68.1-49.3177.1179.262.5000110.2E72 T73 E77 A78 V79 V156 E157 Y160 F161E72-L75 WeakPolarHBondContact O-CA 3.41Å; E72-L75 WeakPolarHBondContact O-CB 3.33Å; E72-L75 PolarHBondContact O-N 3Å; T73-L75 VanDerWaalsContact C-N 3.32Å; T73-L75 PolarHBondContact O-N 3.14Å; L75-E77 PolarHBondContact O-N 2.85Å; L75-A78 WeakPolarHBondContact O-CB 3.45Å; L75-A78 PolarHBondContact O-N 2.96Å; L75-A78 VanDerWaalsContact O-N 3.08Å; L75-V79 HydrophobicContact CD1-CG2 3.86Å; L75-V79 HydrophobicContact CG-CG2 4.12Å; L75-V79 WeakPolarHBondContact O-CB 3.48Å; L75-V79 VanDerWaalsContact O-CG2 3.29Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 3.46Å; L75-V156 HydrophobicContact CD1-CG1 4.24Å; L75-E157 HydrophobicContact CD2-CB 4.36Å; L75-E157 HydrophobicContact CD2-CG 3.85Å; L75-Y160 HydrophobicContact CB-CD1 3.98Å; L75-Y160 HydrophobicContact CB-CD2 4.44Å; L75-Y160 HydrophobicContact CB-CE1 3.89Å; L75-Y160 HydrophobicContact CB-CE2 4.38Å; L75-Y160 HydrophobicContact CB-CG 4.25Å; L75-Y160 HydrophobicContact CD1-CD1 4.47Å; L75-Y160 HydrophobicContact CD1-CD2 3.9Å; L75-Y160 HydrophobicContact CD1-CE2 4.46Å; L75-Y160 HydrophobicContact CD1-CG 3.91Å; L75-Y160 HydrophobicContact CD2-CD1 3.82Å; L75-Y160 HydrophobicContact CD2-CG 3.87Å; L75-Y160 HydrophobicContact CG-CD1 4.32Å; L75-Y160 HydrophobicContact CG-CG 4.23Å; L75-F161 HydrophobicContact CD2-CE2 4.41Å
76T94.6Very high92.3Very high64 Ų6455 Ų5539%0.39328%0.281SS..Hα-helixtrans-55.6-48.7177.7-49.20000111.6E72 T73 A78 V79 D80E72-T76 PolarHBondContact O-N 3.47Å; E72-T76 PolarHBondContact O-OG1 2.82Å; T73-T76 PolarHBondContact O-N 2.93Å; T76-A78 VanDerWaalsContact C-N 3.26Å; T76-A78 PolarHBondContact O-N 2.99Å; T76-V79 PolarHBondContact O-N 2.93Å; T76-D80 WeakPolarHBondContact O-CB 3.29Å; T76-D80 VanDerWaalsContact O-CG 3.22Å; T76-D80 PolarHBondContact O-N 3.34Å
77E92.5Very high92.6Very high88 Ų8854.3 Ų54.341%0.41128%0.277SS..Hα-helixtrans-60.6-34.9177.8-74.2173.2-174.500113.2Y68 T73 L75 N81Y68-E77 VanDerWaalsContact CE2-OE2 3.31Å; Y68-E77 WeakPolarHBondContact CE2-OE2 3.03Å; Y68-E77 PolarHBondContact OH-OE2 2.9Å; T73-E77 WeakPolarHBondContact O-CB 3.25Å; T73-E77 VanDerWaalsContact O-CG 3.29Å; T73-E77 WeakPolarHBondContact O-CG 3.25Å; T73-E77 PolarHBondContact O-N 2.01Å; L75-E77 PolarHBondContact O-N 2.85Å; E77-N81 PolarHBondContact O-ND2 3.4Å
78A93.3Very high92.8Very high11 Ų1152.8 Ų52.89%0.09127%0.272CS..Hα-helixtrans-68.9-55.917500000110.1L37 L41 R74 L75 T76 D80 N81 I82L37-A78 HydrophobicContact CD1-CB 4.01Å; L41-A78 HydrophobicContact CD2-CB 3.85Å; L41-A78 HydrophobicContact CG-CB 4.41Å; R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 2.76Å; L75-A78 WeakPolarHBondContact O-CB 3.45Å; L75-A78 PolarHBondContact O-N 2.96Å; L75-A78 VanDerWaalsContact O-N 3.08Å; T76-A78 VanDerWaalsContact C-N 3.26Å; T76-A78 PolarHBondContact O-N 2.99Å; A78-D80 VanDerWaalsContact C-N 3.35Å; A78-D80 PolarHBondContact O-N 3.42Å; A78-N81 PolarHBondContact O-N 3.18Å; A78-I82 HydrophobicContact CB-CD1 4.26Å; A78-I82 WeakPolarHBondContact O-CD1 3.4Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 3.34Å
79V95.1Very high93.1Very high22 Ų2252.7 Ų52.713%0.13327%0.272CS..Hα-helixtrans-51.4-48.5-178.91670000111.7L75 T76 N81 I82 L149L75-V79 HydrophobicContact CD1-CG2 3.86Å; L75-V79 HydrophobicContact CG-CG2 4.12Å; L75-V79 WeakPolarHBondContact O-CB 3.48Å; L75-V79 VanDerWaalsContact O-CG2 3.29Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 3.46Å; T76-V79 PolarHBondContact O-N 2.93Å; V79-N81 PolarHBondContact O-N 2.97Å; V79-N81 VanDerWaalsContact O-N 3.1Å; V79-I82 PolarHBondContact O-N 2.89Å; V79-L149 HydrophobicContact CB-CD2 4.45Å; V79-L149 HydrophobicContact CG1-CD1 4.09Å; V79-L149 HydrophobicContact CG1-CD2 3.59Å; V79-L149 HydrophobicContact CG1-CG 3.88Å
80D91.8Very high93.3Very high112 Ų11252.6 Ų52.660%0.59928%0.275SS*.Hα-helixtrans-58-29.9-177.2-74-16.3000113.9T76 A78T76-D80 WeakPolarHBondContact O-CB 3.29Å; T76-D80 VanDerWaalsContact O-CG 3.22Å; T76-D80 PolarHBondContact O-N 3.34Å; A78-D80 VanDerWaalsContact C-N 3.35Å; A78-D80 PolarHBondContact O-N 3.42Å
81N89.4Confident93.6Very high88 Ų8849.8 Ų49.847%0.47126%0.258SS..Hα-helixtrans-107.6-3.2-170.5-67.7-71.3000114E77 A78 V79 R85E77-N81 PolarHBondContact O-ND2 3.4Å; A78-N81 PolarHBondContact O-N 3.18Å; V79-N81 PolarHBondContact O-N 2.97Å; V79-N81 VanDerWaalsContact O-N 3.1Å; N81-R85 WeakPolarHBondContact O-CG 3.22Å
82I95.1Very high93.6Very high1 Ų149.7 Ų49.71%0.00526%0.257CS..Hα-helixtrans-74.5-44.7-171.1-78.7150.9000112.3L33 E36 L37 A40 A78 V79 E84 R85L33-I82 HydrophobicContact CD1-CG2 4.37Å; E36-I82 HydrophobicContact CB-CG2 3.82Å; L37-I82 HydrophobicContact CB-CD1 3.59Å; L37-I82 HydrophobicContact CB-CG1 4.45Å; L37-I82 HydrophobicContact CD1-CD1 3.22Å; L37-I82 HydrophobicContact CD2-CD1 4.31Å; L37-I82 HydrophobicContact CG-CD1 3.82Å; A40-I82 HydrophobicContact CB-CG1 4.44Å; A78-I82 HydrophobicContact CB-CD1 4.26Å; A78-I82 WeakPolarHBondContact O-CD1 3.4Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 3.34Å; V79-I82 PolarHBondContact O-N 2.89Å; I82-E84 VanDerWaalsContact C-N 3.26Å; I82-E84 PolarHBondContact O-N 3.01Å; I82-R85 VanDerWaalsContact O-CB 3.32Å; I82-R85 WeakPolarHBondContact O-CB 3.1Å; I82-R85 PolarHBondContact O-N 2.8Å
83C96.4Very high93.5Very high7 Ų748 Ų485%0.04726%0.263CS..Hα-helixtrans-68.6-26.9-178.5-63.50000112.6R85 I86 K142 C145 E146C83-R85 VanDerWaalsContact C-N 3.27Å; C83-R85 PolarHBondContact O-N 3.11Å; C83-I86 VanDerWaalsContact O-CB 3.29Å; C83-I86 WeakPolarHBondContact O-CB 3.29Å; C83-I86 PolarHBondContact O-N 2.95Å; C83-K142 HydrophobicContact CB-CG 4.48Å; C83-C145 WeakPolarHBondContact CA-SG 3.3Å; C83-C145 HydrophobicContact CB-CB 3.84Å; C83-C145 WeakPolarHBondContact CB-SG 2.99Å; C83-C145 WeakPolarHBondContact SG-CB 3.42Å; C83-C145 CovalentContact SG-SG 2.06Å; C83-C145 PolarHBondContact SG-SG 2.68Å; C83-E146 HydrophobicContact CB-CG 3.79Å; C83-E146 PolarHBondContact SG-N 2.77Å
84E95.7Very high93.2Very high96 Ų9647.6 Ų47.645%0.44926%0.257SS..Hα-helixtrans-64.2-31.7170.4-68.5-61158.100112.6I82 I86 L87 K142I82-E84 VanDerWaalsContact C-N 3.26Å; I82-E84 PolarHBondContact O-N 3.01Å; E84-I86 PolarHBondContact O-N 3.24Å; E84-L87 WeakPolarHBondContact O-CB 3.43Å; E84-L87 PolarHBondContact O-N 3.01Å; E84-K142 WeakPolarHBondContact OE1-CE 3.41Å; E84-K142 IonicContact OE1-NZ 2.65Å; E84-K142 PolarHBondContact OE1-NZ 3.44Å; E84-K142 WeakPolarHBondContact OE2-CE 3.48Å; E84-K142 IonicContact OE2-NZ 2.63Å
85R94.9Very high93.1Very high73 Ų7350 Ų5028%0.27527%0.266SS..Hα-helixtrans-67.7-22.6177.1-64.5168.8-176.8-131.4-0.9112.7E36 N81 I82 C83 L87 Q88E36-R85 WeakPolarHBondContact OE2-CD 3.32Å; N81-R85 WeakPolarHBondContact O-CG 3.22Å; I82-R85 VanDerWaalsContact O-CB 3.32Å; I82-R85 WeakPolarHBondContact O-CB 3.1Å; I82-R85 PolarHBondContact O-N 2.8Å; C83-R85 VanDerWaalsContact C-N 3.27Å; C83-R85 PolarHBondContact O-N 3.11Å; R85-L87 PolarHBondContact O-N 3.09Å; R85-Q88 VanDerWaalsContact O-CB 3.3Å; R85-Q88 WeakPolarHBondContact O-CB 3.4Å; R85-Q88 WeakPolarHBondContact O-CG 3.37Å; R85-Q88 PolarHBondContact O-N 2.97Å
86I95.6Very high92.8Very high1 Ų153.7 Ų53.71%0.00529%0.29CS..G310 helixtrans-59.7-30174.8-58.7-61.5000111.1F32 E36 C83 E84 Q88 Y89 V138 M141 C145F32-I86 HydrophobicContact CB-CD1 3.94Å; E36-I86 HydrophobicContact CG-CD1 4.26Å; C83-I86 VanDerWaalsContact O-CB 3.29Å; C83-I86 WeakPolarHBondContact O-CB 3.29Å; C83-I86 PolarHBondContact O-N 2.95Å; E84-I86 PolarHBondContact O-N 3.24Å; I86-Q88 PolarHBondContact O-N 3.05Å; I86-Q88 VanDerWaalsContact O-N 3.14Å; I86-Y89 WeakPolarHBondContact O-CB 3.35Å; I86-Y89 WeakPolarHBondContact O-CD2 3.45Å; I86-Y89 PolarHBondContact O-N 3.44Å; I86-V138 HydrophobicContact CG2-CG1 4.44Å; I86-V138 VanDerWaalsContact O-CG1 3.31Å; I86-V138 WeakPolarHBondContact O-CG1 3.42Å; I86-M141 HydrophobicContact CG2-CB 3.92Å; I86-M141 HydrophobicContact CG2-CG 3.88Å; I86-M141 HydrophobicContact CG2-SD 3.94Å; I86-C145 HydrophobicContact CG1-CB 4.37Å
87L94.8Very high92.6Very high56 Ų5652.1 Ų52.129%0.29329%0.286SS..G310 helixtrans-65.3-16176.7-62.9179.8000114E84 R85 Y89 P134 V138 K142E84-L87 WeakPolarHBondContact O-CB 3.43Å; E84-L87 PolarHBondContact O-N 3.01Å; R85-L87 PolarHBondContact O-N 3.09Å; L87-Y89 PolarHBondContact O-N 2.98Å; L87-P134 HydrophobicContact CD2-CB 4.02Å; L87-P134 HydrophobicContact CD2-CG 4Å; L87-V138 HydrophobicContact CD2-CG1 4.38Å; L87-K142 HydrophobicContact CD1-CD 3.91Å; L87-K142 HydrophobicContact CD2-CB 4.26Å; L87-K142 HydrophobicContact CD2-CD 3.81Å; L87-K142 HydrophobicContact CG-CD 3.83Å
88Q93.8Very high92.5Very high115 Ų11547.9 Ų47.954%0.53727%0.267SS..G310 helixtrans-76.8-10175.5-57.5176.215.700112.5R85 I86R85-Q88 VanDerWaalsContact O-CB 3.3Å; R85-Q88 WeakPolarHBondContact O-CB 3.4Å; R85-Q88 WeakPolarHBondContact O-CG 3.37Å; R85-Q88 PolarHBondContact O-N 2.97Å; I86-Q88 PolarHBondContact O-N 3.05Å; I86-Q88 VanDerWaalsContact O-N 3.14Å
89Y94.3Very high92.4Very high13 Ų1348.8 Ų48.85%0.05127%0.27CS..EExtended strand (participates in β ladder)trans-82.7143.2176.9-74.2-95.2000111.3F32 M35 E36 I86 L87 K103 V138F32-Y89 HydrophobicContact CD1-CD1 4.23Å; F32-Y89 AromaticContact CD1-CE1 3.57Å; F32-Y89 HydrophobicContact CD1-CE1 3.57Å; F32-Y89 HydrophobicContact CD1-CE2 4.31Å; F32-Y89 AromaticContact CD1-CZ 3.59Å; F32-Y89 HydrophobicContact CE1-CD1 4.02Å; F32-Y89 AromaticContact CE1-CE1 3.37Å; F32-Y89 HydrophobicContact CE1-CE1 3.37Å; F32-Y89 AromaticContact CE1-CZ 3.88Å; F32-Y89 HydrophobicContact CZ-CE1 4.49Å; M35-Y89 WeakPolarHBondContact CE-OH 3.2Å; E36-Y89 HydrophobicContact CG-CE2 4.38Å; E36-Y89 WeakPolarHBondContact OE1-CE2 3.29Å; E36-Y89 PolarHBondContact OE1-OH 3.08Å; I86-Y89 WeakPolarHBondContact O-CB 3.35Å; I86-Y89 WeakPolarHBondContact O-CD2 3.45Å; I86-Y89 PolarHBondContact O-N 3.44Å; L87-Y89 PolarHBondContact O-N 2.98Å; Y89-K103 HydrophobicContact CD1-CG 4.29Å; Y89-K103 HydrophobicContact CD2-CG 4.35Å; Y89-K103 HydrophobicContact CE1-CG 4.05Å; Y89-K103 HydrophobicContact CE2-CD 4.48Å; Y89-K103 VanDerWaalsContact CE2-CE 3.5Å; Y89-K103 HydrophobicContact CE2-CG 4.14Å; Y89-K103 HydrophobicContact CG-CG 4.44Å; Y89-K103 WeakPolarHBondContact OH-CE 3.46Å; Y89-V138 WeakPolarHBondContact O-CG2 3.42Å
90S92.4Very high92.3Very high46 Ų4648.8 Ų48.832%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-117157.9170.5-68.10000110H92 R100 A102 G104S90-H92 PolarHBondContact O-CD2 3.4Å; S90-R100 VanDerWaalsContact O-O 3.08Å; S90-A102 PolarHBondContact N-O 3.4Å; S90-A102 PolarHBondContact O-N 2.87Å; S90-G104 VanDerWaalsContact CB-O 3.23Å; S90-G104 WeakPolarHBondContact CB-O 3.4Å; S90-G104 PolarHBondContact OG-O 3.44Å
91V92.2Very high92.4Very high38 Ų3843.7 Ų43.723%0.2324%0.24CC..EExtended strand (participates in β ladder)trans-87.5119.5175.4-177.70000109.5R100 Y101 S106 E137 V138V91-R100 HydrophobicContact CG1-CG 4.5Å; V91-Y101 HydrophobicContact CG2-CD1 4.46Å; V91-Y101 HydrophobicContact CG2-CE1 4.18Å; V91-S106 WeakPolarHBondContact O-CB 3.3Å; V91-E137 HydrophobicContact CG2-CB 4.39Å; V91-E137 WeakPolarHBondContact CG2-OE1 3.37Å; V91-V138 HydrophobicContact CG2-CG2 4.01Å
92H92.6Very high92.6Very high6 Ų640.1 Ų40.13%0.02822%0.223CC..  trans-99.991.6174.9-68.6-101.6000109S90 E94 R95 R100 A102 S106S90-H92 PolarHBondContact O-CD2 3.4Å; H92-E94 WeakPolarHBondContact CA-OE2 3.26Å; H92-E94 WeakPolarHBondContact CB-OE1 3.4Å; H92-E94 WeakPolarHBondContact CB-OE2 3.37Å; H92-E94 IonicContact CE1-OE1 2.57Å; H92-E94 IonicContact CG-OE1 3.96Å; H92-E94 IonicContact ND1-OE1 3.49Å; H92-E94 PolarHBondContact ND1-OE1 2.87Å; H92-E94 PolarHBondContact O-N 3.46Å; H92-E94 VanDerWaalsContact O-N 3.08Å; H92-R95 HydrophobicContact CB-CB 4.38Å; H92-R95 HydrophobicContact CB-CG 3.89Å; H92-R95 PolarHBondContact O-N 3.13Å; H92-R100 VanDerWaalsContact CB-O 3.3Å; H92-R100 WeakPolarHBondContact CB-O 3.16Å; H92-R100 PolarHBondContact CD2-O 2.86Å; H92-R100 PolarHBondContact N-O 3.21Å; H92-R100 WeakPolarHBondContact O-CB 3.25Å; H92-A102 PolarHBondContact NE2-O 3.21Å; H92-S106 VanDerWaalsContact CE1-CA 3.44Å; H92-S106 WeakPolarHBondContact CE1-CA 3.32Å; H92-S106 WeakPolarHBondContact ND1-CA 3.37Å
93A88.3Confident92.4Very high84 Ų8444.1 Ų44.169%0.69424%0.24SC*.THydrogen-bonded Turntrans-58.2-21.6179.700000112.9R95A93-R95 VanDerWaalsContact C-N 3.29Å; A93-R95 PolarHBondContact O-N 3.48Å
94E87Confident92.1Very high57 Ų5745.9 Ų45.927%0.26626%0.259SS..THydrogen-bonded Turntrans-73.5-14.117771.4-81.9-165.400114.4H92 Q107H92-E94 WeakPolarHBondContact CA-OE2 3.26Å; H92-E94 WeakPolarHBondContact CB-OE1 3.4Å; H92-E94 WeakPolarHBondContact CB-OE2 3.37Å; H92-E94 IonicContact CE1-OE1 2.57Å; H92-E94 IonicContact CG-OE1 3.96Å; H92-E94 IonicContact ND1-OE1 3.49Å; H92-E94 PolarHBondContact ND1-OE1 2.87Å; H92-E94 PolarHBondContact O-N 3.46Å; H92-E94 VanDerWaalsContact O-N 3.08Å; E94-Q107 HydrophobicContact CG-CG 4.47Å; E94-Q107 PolarHBondContact OE1-N 3.18Å
95R90.5Very high91.7Very high66 Ų6645 Ų4525%0.24926%0.264CS..SBendtrans-107.6140.9-175.7-53.7-178.7-177.5-172.84.2111.4H92 A93 L99 A102 W190H92-R95 HydrophobicContact CB-CB 4.38Å; H92-R95 HydrophobicContact CB-CG 3.89Å; H92-R95 PolarHBondContact O-N 3.13Å; A93-R95 VanDerWaalsContact C-N 3.29Å; A93-R95 PolarHBondContact O-N 3.48Å; R95-L99 HydrophobicContact CB-CB 4.3Å; R95-L99 WeakPolarHBondContact CD-O 3.49Å; R95-A102 VanDerWaalsContact NH1-CB 3.26Å; R95-W190 HydrophobicContact CB-CE3 4.42Å; R95-W190 HydrophobicContact CB-CH2 4.28Å; R95-W190 HydrophobicContact CB-CZ3 4.02Å; R95-W190 HydrophobicContact CG-CE3 4.34Å; R95-W190 HydrophobicContact CG-CH2 3.75Å; R95-W190 HydrophobicContact CG-CZ2 4.03Å; R95-W190 HydrophobicContact CG-CZ3 3.93Å
96P89Confident91.4Very high83 Ų8342 Ų4254%0.53925%0.254SS..  trans-79.7153.4179.733.6-33.8000111.9L99 W190P96-L99 WeakPolarHBondContact O-CB 3.45Å; P96-L99 PolarHBondContact O-N 3.27Å; P96-W190 HydrophobicContact CG-CZ3 4.47Å
97G89.6Confident91.2Very high31 Ų3145.9 Ų45.932%0.3227%0.272SS..G310 helixtrans61.7-136.1168.200000113.6R22 L99 R100R22-G97 PolarHBondContact NH2-O 3.31Å; G97-L99 VanDerWaalsContact C-N 3.29Å; G97-R100 WeakPolarHBondContact O-CG 3.28Å
98S91.3Very high90.8Very high0 Ų046.5 Ų46.50%028%0.278CS..G310 helixtrans-74.9-19.9179.6720000113.2K31 F32 R100 Y101 C185 E188K31-S98 PolarHBondContact NZ-OG 3.13Å; F32-S98 WeakPolarHBondContact CE2-O 3.45Å; F32-S98 WeakPolarHBondContact CZ-O 3.44Å; S98-R100 PolarHBondContact O-N 3.41Å; S98-R100 VanDerWaalsContact O-N 3.11Å; S98-Y101 WeakPolarHBondContact O-CD2 3.44Å; S98-Y101 PolarHBondContact O-N 3Å; S98-C185 PolarHBondContact OG-O 3.06Å; S98-E188 WeakPolarHBondContact CA-OE2 3.32Å; S98-E188 VanDerWaalsContact CB-OE2 3.28Å; S98-E188 WeakPolarHBondContact CB-OE2 3.5Å; S98-E188 PolarHBondContact N-OE2 3.03Å; S98-E188 PolarHBondContact OG-OE2 3.41Å
99L91.3Very high90.6Very high29 Ų2943.3 Ų43.315%0.15226%0.264CS..G310 helixtrans-67.6-11.1-179.1-57.7173.5000112.9R95 P96 G97 Y101 E188 W190R95-L99 HydrophobicContact CB-CB 4.3Å; R95-L99 WeakPolarHBondContact CD-O 3.49Å; P96-L99 WeakPolarHBondContact O-CB 3.45Å; P96-L99 PolarHBondContact O-N 3.27Å; G97-L99 VanDerWaalsContact C-N 3.29Å; L99-Y101 PolarHBondContact O-N 3.21Å; L99-E188 HydrophobicContact CD1-CB 4.05Å; L99-E188 HydrophobicContact CD2-CB 4.18Å; L99-E188 HydrophobicContact CG-CB 3.98Å; L99-W190 HydrophobicContact CB-CE3 4.49Å; L99-W190 HydrophobicContact CD1-CB 3.91Å; L99-W190 HydrophobicContact CD1-CE3 3.96Å; L99-W190 HydrophobicContact CD2-CB 4.22Å
100R92.5Very high90.4Very high22 Ų2245.1 Ų45.18%0.08328%0.276CS..G310 helixtrans-62.2-25.417278178.6-178.4165.4-8113.6R22 S90 V91 H92 G97 S98 A102 E137R22-R100 VanDerWaalsContact CZ-NE 3.35Å; R22-R100 VanDerWaalsContact NE-NH2 3.12Å; R22-R100 VanDerWaalsContact NH1-NH2 3.18Å; R22-R100 PolarHBondContact O-NH2 3.05Å; S90-R100 VanDerWaalsContact O-O 3.08Å; V91-R100 HydrophobicContact CG1-CG 4.5Å; H92-R100 VanDerWaalsContact CB-O 3.3Å; H92-R100 WeakPolarHBondContact CB-O 3.16Å; H92-R100 PolarHBondContact CD2-O 2.86Å; H92-R100 PolarHBondContact N-O 3.21Å; H92-R100 WeakPolarHBondContact O-CB 3.25Å; G97-R100 WeakPolarHBondContact O-CG 3.28Å; S98-R100 PolarHBondContact O-N 3.41Å; S98-R100 VanDerWaalsContact O-N 3.11Å; R100-A102 PolarHBondContact O-N 2.95Å; R100-E137 IonicContact CZ-OE1 3.18Å; R100-E137 IonicContact CZ-OE2 2.63Å; R100-E137 IonicContact NE-OE1 3.37Å; R100-E137 PolarHBondContact NE-OE1 2.89Å; R100-E137 VanDerWaalsContact NE-OE1 3.13Å; R100-E137 VanDerWaalsContact NH1-CD 3.33Å; R100-E137 IonicContact NH1-OE1 3.5Å; R100-E137 PolarHBondContact NH1-OE1 3.31Å; R100-E137 IonicContact NH1-OE2 3.44Å; R100-E137 PolarHBondContact NH1-OE2 3.47Å; R100-E137 IonicContact NH2-OE1 2.8Å; R100-E137 PolarHBondContact NH2-OE1 3.34Å; R100-E137 IonicContact NH2-OE2 2.66Å; R100-E137 PolarHBondContact NH2-OE2 3.45Å
101Y93.6Very high90.4Very high6 Ų646.8 Ų46.82%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-84.7109.7174.2-57.3-72000108.6P24 E28 F32 V91 S98 L99 E137 V138 M141P24-Y101 WeakPolarHBondContact CB-OH 3.39Å; E28-Y101 HydrophobicContact CB-CE2 4.18Å; E28-Y101 HydrophobicContact CG-CE2 4.22Å; F32-Y101 HydrophobicContact CD2-CD2 4.32Å; F32-Y101 AromaticContact CE2-CD2 3.72Å; F32-Y101 HydrophobicContact CE2-CD2 3.72Å; F32-Y101 HydrophobicContact CE2-CG 4.16Å; F32-Y101 HydrophobicContact CZ-CD2 4.29Å; F32-Y101 HydrophobicContact CZ-CG 4.37Å; F32-Y101 WeakPolarHBondContact CZ-O 3.19Å; V91-Y101 HydrophobicContact CG2-CD1 4.46Å; V91-Y101 HydrophobicContact CG2-CE1 4.18Å; S98-Y101 WeakPolarHBondContact O-CD2 3.44Å; S98-Y101 PolarHBondContact O-N 3Å; L99-Y101 PolarHBondContact O-N 3.21Å; Y101-E137 HydrophobicContact CE1-CG 4.45Å; Y101-E137 WeakPolarHBondContact CE1-OE1 3.45Å; Y101-E137 PolarHBondContact OH-OE1 2.97Å; Y101-V138 HydrophobicContact CD1-CG2 4.41Å; Y101-V138 HydrophobicContact CE1-CG2 4.44Å; Y101-M141 HydrophobicContact CD1-SD 3.88Å; Y101-M141 HydrophobicContact CD2-CE 4.39Å; Y101-M141 HydrophobicContact CD2-SD 4.24Å; Y101-M141 HydrophobicContact CE1-SD 3.84Å; Y101-M141 HydrophobicContact CE2-SD 4.2Å; Y101-M141 HydrophobicContact CG-SD 4.07Å
102A93.3Very high90.2Very high13 Ų1346.9 Ų46.911%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-140.2154.2169.900000111.8S90 H92 R95 R100S90-A102 PolarHBondContact N-O 3.4Å; S90-A102 PolarHBondContact O-N 2.87Å; H92-A102 PolarHBondContact NE2-O 3.21Å; R95-A102 VanDerWaalsContact NH1-CB 3.26Å; R100-A102 PolarHBondContact O-N 2.95Å
103K92.3Very high90.1Very high85 Ų8548.1 Ų48.137%0.3729%0.289SS..EExtended strand (participates in β ladder)trans-72.9135176.8-64.5175.7-178.4168.70109.2E36 E39 Y89E36-K103 WeakPolarHBondContact OE1-CE 3.21Å; E36-K103 IonicContact OE1-NZ 2.92Å; E36-K103 PolarHBondContact OE1-NZ 2.84Å; E36-K103 IonicContact OE2-NZ 3.1Å; E39-K103 IonicContact OE2-NZ 2.67Å; E39-K103 PolarHBondContact OE2-NZ 3.31Å; Y89-K103 HydrophobicContact CD1-CG 4.29Å; Y89-K103 HydrophobicContact CD2-CG 4.35Å; Y89-K103 HydrophobicContact CE1-CG 4.05Å; Y89-K103 HydrophobicContact CE2-CD 4.48Å; Y89-K103 VanDerWaalsContact CE2-CE 3.5Å; Y89-K103 HydrophobicContact CE2-CG 4.14Å; Y89-K103 HydrophobicContact CG-CG 4.44Å; Y89-K103 WeakPolarHBondContact OH-CE 3.46Å
104G89.2Confident90.2Very high44 Ų4447.9 Ų47.945%0.45428%0.276SS..SBendtrans101.3178.7-18000000114S90S90-G104 VanDerWaalsContact CB-O 3.23Å; S90-G104 WeakPolarHBondContact CB-O 3.4Å; S90-G104 PolarHBondContact OG-O 3.44Å
105S86.3Confident90.5Very high77 Ų7748.4 Ų48.454%0.53828%0.28SS..  trans-75.5137.3-176.158.60000112.7T110S105-T110 PolarHBondContact OG-OG1 2.52Å; S105-T110 VanDerWaalsContact OG-OG1 3.1Å
106S90.5Very high90.5Very high11 Ų1147.3 Ų47.38%0.07728%0.281CS..  trans-69.4152.317366.90000112.6V91 H92 T108 M109 T110V91-S106 WeakPolarHBondContact O-CB 3.3Å; H92-S106 VanDerWaalsContact CE1-CA 3.44Å; H92-S106 WeakPolarHBondContact CE1-CA 3.32Å; H92-S106 WeakPolarHBondContact ND1-CA 3.37Å; S106-T108 PolarHBondContact O-N 3.11Å; S106-M109 PolarHBondContact O-N 3.32Å; S106-M109 VanDerWaalsContact O-N 3.09Å; S106-M109 VanDerWaalsContact OG-CB 3.27Å; S106-M109 WeakPolarHBondContact OG-CB 3.26Å; S106-M109 PolarHBondContact OG-N 2.87Å; S106-T110 PolarHBondContact O-N 2.81Å; S106-T110 PolarHBondContact O-OG1 3.31Å; S106-T110 VanDerWaalsContact O-OG1 3.06Å
107Q89.9Confident90.5Very high81 Ų8148.8 Ų48.838%0.37928%0.284SS..Hα-helixtrans-57.9-39.8179.3-67-176.2-5.700111.5E94 T111 D193E94-Q107 HydrophobicContact CG-CG 4.47Å; E94-Q107 PolarHBondContact OE1-N 3.18Å; Q107-T111 WeakPolarHBondContact O-CB 3.32Å; Q107-T111 PolarHBondContact O-N 3.32Å; Q107-T111 PolarHBondContact O-OG1 3Å; Q107-D193 PolarHBondContact NE2-OD2 3.09Å
108T87.6Confident90.7Very high69 Ų6955.3 Ų55.342%0.42330%0.304SS..Hα-helixtrans-59.6-50.8174.6-52.80000111S106 T110 T111 L112S106-T108 PolarHBondContact O-N 3.11Å; T108-T110 PolarHBondContact O-N 3.2Å; T108-T111 WeakPolarHBondContact O-CB 3.23Å; T108-T111 PolarHBondContact O-N 2.99Å; T108-L112 HydrophobicContact CG2-CD1 4.26Å; T108-L112 WeakPolarHBondContact O-CG 3.28Å; T108-L112 PolarHBondContact O-N 3.1Å
109M89.3Confident90.6Very high48 Ų4858.6 Ų58.624%0.23634%0.338CS..Hα-helixtrans-65.3-41.1-178.9-171.956.570.300112S106 T111 L112 K113 W131S106-M109 PolarHBondContact O-N 3.32Å; S106-M109 VanDerWaalsContact O-N 3.09Å; S106-M109 VanDerWaalsContact OG-CB 3.27Å; S106-M109 WeakPolarHBondContact OG-CB 3.26Å; S106-M109 PolarHBondContact OG-N 2.87Å; M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 3.41Å; M109-L112 PolarHBondContact O-N 3.23Å; M109-K113 WeakPolarHBondContact O-CG 3.33Å; M109-K113 PolarHBondContact O-N 3.15Å; M109-W131 HydrophobicContact SD-CD2 4.41Å; M109-W131 HydrophobicContact SD-CE3 3.72Å; M109-W131 HydrophobicContact SD-CZ3 4.34Å
110T90.6Very high90.7Very high51 Ų5160.7 Ų60.731%0.31335%0.352SS..Hα-helixtrans-60.2-41.3174-550000111.3S105 S106 T108 K113 N114S105-T110 PolarHBondContact OG-OG1 2.52Å; S105-T110 VanDerWaalsContact OG-OG1 3.1Å; S106-T110 PolarHBondContact O-N 2.81Å; S106-T110 PolarHBondContact O-OG1 3.31Å; S106-T110 VanDerWaalsContact O-OG1 3.06Å; T108-T110 PolarHBondContact O-N 3.2Å; T110-K113 PolarHBondContact O-N 3.48Å; T110-N114 WeakPolarHBondContact O-CB 3.26Å; T110-N114 PolarHBondContact O-N 3.45Å; T110-N114 PolarHBondContact O-ND2 2.98Å
111T90.8Very high90.3Very high81 Ų8168.7 Ų68.750%0.49739%0.387SS..Hα-helixtrans-64.8-44177.2-58.70000111.5Q107 T108 M109 N114 L115Q107-T111 WeakPolarHBondContact O-CB 3.32Å; Q107-T111 PolarHBondContact O-N 3.32Å; Q107-T111 PolarHBondContact O-OG1 3Å; T108-T111 WeakPolarHBondContact O-CB 3.23Å; T108-T111 PolarHBondContact O-N 2.99Å; M109-T111 VanDerWaalsContact C-N 3.29Å; M109-T111 PolarHBondContact O-N 3.41Å; T111-N114 WeakPolarHBondContact O-CB 3.31Å; T111-N114 PolarHBondContact O-N 3.26Å; T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.47Å
112L89.2Confident89.9Confident41 Ų4170.1 Ų70.122%0.21540%0.396CS..Hα-helixtrans-61.7-47176.5-68.3172.1000111.7T108 M109 N114 L115 V116 V122 L124 W131T108-L112 HydrophobicContact CG2-CD1 4.26Å; T108-L112 WeakPolarHBondContact O-CG 3.28Å; T108-L112 PolarHBondContact O-N 3.1Å; M109-L112 PolarHBondContact O-N 3.23Å; L112-N114 VanDerWaalsContact C-N 3.3Å; L112-N114 PolarHBondContact O-N 2.93Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.25Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L112-V116 WeakPolarHBondContact O-CG2 3.35Å; L112-V116 PolarHBondContact O-N 3.06Å; L112-V122 HydrophobicContact CD2-CG1 4.09Å; L112-L124 HydrophobicContact CD1-CD1 4.29Å; L112-L124 HydrophobicContact CD1-CD2 4.37Å; L112-W131 HydrophobicContact CB-CZ3 4.06Å
113K89.8Confident89.4Confident31 Ų3175.5 Ų75.514%0.13542%0.423CS..Hα-helixtrans-59.7-39.9175.1-70.8-174-179.7-169.30112M109 T110 L115 V116 N117 Y128 W131 D132M109-K113 WeakPolarHBondContact O-CG 3.33Å; M109-K113 PolarHBondContact O-N 3.15Å; T110-K113 PolarHBondContact O-N 3.48Å; K113-L115 VanDerWaalsContact C-N 3.34Å; K113-L115 PolarHBondContact O-N 2.55Å; K113-V116 PolarHBondContact O-N 2.67Å; K113-N117 WeakPolarHBondContact O-CB 3.37Å; K113-N117 PolarHBondContact O-N 3.1Å; K113-N117 PolarHBondContact O-ND2 3.37Å; K113-Y128 HydrophobicContact CG-CE2 4.3Å; K113-W131 HydrophobicContact CG-CE3 3.93Å; K113-W131 HydrophobicContact CG-CZ3 4.15Å; K113-D132 IonicContact NZ-OD1 2.99Å; K113-D132 PolarHBondContact NZ-OD1 2.63Å; K113-D132 IonicContact NZ-OD2 2.79Å; K113-D132 PolarHBondContact NZ-OD2 3.06Å
114N91.4Very high88.9Confident80 Ų8074.8 Ų74.843%0.42842%0.423SS..Hα-helixtrans-64.6-35.1176-75.4-27.5000113.1T110 T111 L112 K118T110-N114 WeakPolarHBondContact O-CB 3.26Å; T110-N114 PolarHBondContact O-N 3.45Å; T110-N114 PolarHBondContact O-ND2 2.98Å; T111-N114 WeakPolarHBondContact O-CB 3.31Å; T111-N114 PolarHBondContact O-N 3.26Å; L112-N114 VanDerWaalsContact C-N 3.3Å; L112-N114 PolarHBondContact O-N 2.93Å; N114-K118 VanDerWaalsContact O-CG 3.29Å; N114-K118 WeakPolarHBondContact O-CG 3.39Å; N114-K118 PolarHBondContact O-N 2.92Å; N114-K118 VanDerWaalsContact O-N 3.15Å
115L92.1Very high88.6Confident67 Ų6776.2 Ų76.235%0.35144%0.438SS..Hα-helixtrans-67.3-45.1174.7-70.6170000111.1T111 L112 K113 N117 K118 G119 V120 V122T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.47Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.25Å; L112-L115 VanDerWaalsContact O-N 3.14Å; K113-L115 VanDerWaalsContact C-N 3.34Å; K113-L115 PolarHBondContact O-N 2.55Å; L115-N117 VanDerWaalsContact C-N 3.34Å; L115-N117 PolarHBondContact O-N 2.98Å; L115-K118 PolarHBondContact O-N 2.86Å; L115-K118 VanDerWaalsContact O-N 3.09Å; L115-G119 PolarHBondContact O-N 2.88Å; L115-V120 HydrophobicContact CB-CB 4.18Å; L115-V120 HydrophobicContact CD2-CG2 4.35Å; L115-V120 VanDerWaalsContact O-CB 3.32Å; L115-V120 WeakPolarHBondContact O-CB 3.08Å; L115-V120 PolarHBondContact O-N 3.44Å; L115-V122 HydrophobicContact CB-CG2 4.09Å
116V90.4Very high88.5Confident44 Ų4476.6 Ų76.627%0.26743%0.432SS..Hα-helixtrans-59.1-45.6174.8174.70000111L112 K113 K118 G119 V120 V122 Y128 W131L112-V116 WeakPolarHBondContact O-CG2 3.35Å; L112-V116 PolarHBondContact O-N 3.06Å; K113-V116 PolarHBondContact O-N 2.67Å; V116-K118 PolarHBondContact O-N 2.92Å; V116-G119 PolarHBondContact O-N 2.93Å; V116-V120 WeakPolarHBondContact CA-O 3.03Å; V116-V122 HydrophobicContact CG2-CB 3.7Å; V116-V122 HydrophobicContact CG2-CG2 3.78Å; V116-Y128 HydrophobicContact CG1-CE2 4.38Å; V116-W131 HydrophobicContact CG2-CH2 3.75Å; V116-W131 HydrophobicContact CG2-CZ3 4.17Å
117N89.4Confident88.3Confident113 Ų11379.5 Ų79.560%0.60445%0.451SS*.Hα-helixtrans-61.7-26.5176.8-71.7-23.5000113.3K113 L115 G119K113-N117 WeakPolarHBondContact O-CB 3.37Å; K113-N117 PolarHBondContact O-N 3.1Å; K113-N117 PolarHBondContact O-ND2 3.37Å; L115-N117 VanDerWaalsContact C-N 3.34Å; L115-N117 PolarHBondContact O-N 2.98Å; N117-G119 VanDerWaalsContact C-N 3.26Å
118K94Very high88Confident169 Ų16980.3 Ų80.374%0.73545%0.451SS*.THydrogen-bonded Turntrans-83.72.8174.3-72.5174.3-179.1-179.40113.3N114 L115 V116N114-K118 VanDerWaalsContact O-CG 3.29Å; N114-K118 WeakPolarHBondContact O-CG 3.39Å; N114-K118 PolarHBondContact O-N 2.92Å; N114-K118 VanDerWaalsContact O-N 3.15Å; L115-K118 PolarHBondContact O-N 2.86Å; L115-K118 VanDerWaalsContact O-N 3.09Å; V116-K118 PolarHBondContact O-N 2.92Å
119G88.9Confident87.8Confident69 Ų6984.1 Ų84.171%0.71146%0.464SS*.THydrogen-bonded Turntrans85.410.9179.900000114.3L115 V116 N117L115-G119 PolarHBondContact O-N 2.88Å; V116-G119 PolarHBondContact O-N 2.93Å; N117-G119 VanDerWaalsContact C-N 3.26Å
120V92.8Very high87.6Confident73 Ų7384.9 Ų84.944%0.44247%0.469SS..  trans-76.6126.7172-177.60000108.6L115 V116 V122L115-V120 HydrophobicContact CB-CB 4.18Å; L115-V120 HydrophobicContact CD2-CG2 4.35Å; L115-V120 VanDerWaalsContact O-CB 3.32Å; L115-V120 WeakPolarHBondContact O-CB 3.08Å; L115-V120 PolarHBondContact O-N 3.44Å; V116-V120 WeakPolarHBondContact CA-O 3.03Å; V120-V122 HydrophobicContact CG1-CG2 4.39Å; V120-V122 PolarHBondContact O-N 2.06Å; V120-V122 VanDerWaalsContact O-N 3.09Å
121K84.4Confident87.2Confident189 Ų18983.3 Ų83.382%0.82246%0.457SS*.  trans-72.6103.5173.5-171.2179.9-180-1750109.3
122V85.7Confident87Confident36 Ų3685.2 Ų85.222%0.21846%0.464CS..  trans-101.1121.1168.6-178.30000107.2L112 L115 V116 V120 L124 W131L112-V122 HydrophobicContact CD2-CG1 4.09Å; L115-V122 HydrophobicContact CB-CG2 4.09Å; V116-V122 HydrophobicContact CG2-CB 3.7Å; V116-V122 HydrophobicContact CG2-CG2 3.78Å; V120-V122 HydrophobicContact CG1-CG2 4.39Å; V120-V122 PolarHBondContact O-N 2.06Å; V120-V122 VanDerWaalsContact O-N 3.09Å; V122-L124 HydrophobicContact CG1-CD2 3.86Å; V122-L124 HydrophobicContact CG1-CG 4.05Å; V122-W131 HydrophobicContact CB-CH2 4.25Å; V122-W131 HydrophobicContact CG1-CH2 4.01Å
123D83.6Confident86.9Confident127 Ų12789 Ų8968%0.67948%0.481SS*.  trans-109.9105.5176.1-169.6-0.1000108.6G125D123-G125 VanDerWaalsContact C-N 3.33Å; D123-G125 PolarHBondContact OD1-N 3.37Å
124L80.7Confident86.9Confident70 Ų7090.1 Ų90.137%0.36649%0.492SS..  trans-935.8174.9-61.1-173.6000111.9L112 V122 M126 W131L112-L124 HydrophobicContact CD1-CD1 4.29Å; L112-L124 HydrophobicContact CD1-CD2 4.37Å; V122-L124 HydrophobicContact CG1-CD2 3.86Å; V122-L124 HydrophobicContact CG1-CG 4.05Å; L124-M126 HydrophobicContact CB-CG 3.89Å; L124-M126 PolarHBondContact O-N 3.36Å; L124-W131 HydrophobicContact CB-CZ2 4.08Å; L124-W131 HydrophobicContact CD1-CD2 3.89Å; L124-W131 VanDerWaalsContact CD1-CE2 3.47Å; L124-W131 HydrophobicContact CD1-CE3 4.09Å; L124-W131 HydrophobicContact CD1-CH2 3.56Å; L124-W131 HydrophobicContact CD1-CZ2 3.32Å; L124-W131 HydrophobicContact CD1-CZ3 3.94Å; L124-W131 HydrophobicContact CG-CH2 3.88Å; L124-W131 HydrophobicContact CG-CZ2 3.49Å; L124-W131 VanDerWaalsContact CG-CZ2 3.49Å
125G83.3Confident86.9Confident74 Ų7488.7 Ų88.776%0.76349%0.488SS*.SBendtrans69.512.2-174.300000113.9D123D123-G125 VanDerWaalsContact C-N 3.33Å; D123-G125 PolarHBondContact OD1-N 3.37Å
126M84Confident86.8Confident84 Ų8488.2 Ų88.241%0.41449%0.494SS..SBendtrans-142.4139.6179.248.5-176.2-75.200111L124 L130 W131L124-M126 HydrophobicContact CB-CG 3.89Å; L124-M126 PolarHBondContact O-N 3.36Å; M126-L130 HydrophobicContact CE-CB 4.01Å; M126-L130 VanDerWaalsContact CE-O 3.23Å; M126-L130 WeakPolarHBondContact CE-O 3.13Å; M126-W131 PolarHBondContact O-NE1 3.27Å; M126-W131 VanDerWaalsContact O-NE1 3.15Å
127P86.1Confident86.9Confident73 Ų7387.1 Ų87.147%0.47449%0.485SS..  trans-62148.8-179.325.9-34.3000111.7E129 L130P127-E129 WeakPolarHBondContact CB-OE2 3.49Å; P127-E129 PolarHBondContact O-N 3.26Å; P127-E129 VanDerWaalsContact O-N 3.17Å; P127-L130 HydrophobicContact CG-CD1 3.52Å; P127-L130 HydrophobicContact CG-CG 3.86Å; P127-L130 PolarHBondContact O-N 3.17Å
128Y83Confident87.2Confident98 Ų9881.7 Ų81.738%0.38446%0.457SS..G310 helixtrans-59.8-30.3-171.3-176.4-104.4000112.9K113 V116 L130 W131K113-Y128 HydrophobicContact CG-CE2 4.3Å; V116-Y128 HydrophobicContact CG1-CE2 4.38Å; Y128-L130 PolarHBondContact O-N 3.1Å; Y128-W131 AromaticContact CD2-CD2 3.97Å; Y128-W131 HydrophobicContact CD2-CD2 3.97Å; Y128-W131 HydrophobicContact CD2-CE3 4.06Å; Y128-W131 HydrophobicContact CD2-CG 4.4Å; Y128-W131 HydrophobicContact CD2-CZ3 4.39Å; Y128-W131 HydrophobicContact CE2-CD2 4.43Å; Y128-W131 HydrophobicContact CE2-CE3 4.09Å; Y128-W131 HydrophobicContact CE2-CZ3 4.37Å; Y128-W131 WeakPolarHBondContact O-CB 3.12Å; Y128-W131 PolarHBondContact O-N 3.36Å
129E83.6Confident87.2Confident148 Ų14875.9 Ų75.969%0.69244%0.435SS*.G310 helixtrans-62.1-27.1177.8-62.374.2-162.700112.7P127P127-E129 WeakPolarHBondContact CB-OE2 3.49Å; P127-E129 PolarHBondContact O-N 3.26Å; P127-E129 VanDerWaalsContact O-N 3.17Å
130L85.1Confident87.6Confident64 Ų6474.8 Ų74.834%0.33541%0.413SS..G310 helixtrans-91.70.6-178.7-55.9177.5000113.1M126 P127 Y128 D132 E133M126-L130 HydrophobicContact CE-CB 4.01Å; M126-L130 VanDerWaalsContact CE-O 3.23Å; M126-L130 WeakPolarHBondContact CE-O 3.13Å; P127-L130 HydrophobicContact CG-CD1 3.52Å; P127-L130 HydrophobicContact CG-CG 3.86Å; P127-L130 PolarHBondContact O-N 3.17Å; Y128-L130 PolarHBondContact O-N 3.1Å; L130-D132 PolarHBondContact O-N 2.87Å; L130-E133 HydrophobicContact CD2-CG 4.23Å; L130-E133 WeakPolarHBondContact CD2-OE1 3.39Å; L130-E133 WeakPolarHBondContact CD2-OE2 3.48Å; L130-E133 WeakPolarHBondContact O-CB 3.24Å; L130-E133 PolarHBondContact O-N 3.37Å
131W83.8Confident87.7Confident18 Ų1871.4 Ų71.47%0.06839%0.392CS..G310 helixtrans-72.8-16.2-177.9-72.628.3000113.5M109 L112 K113 V116 V122 L124 M126 Y128M109-W131 HydrophobicContact SD-CD2 4.41Å; M109-W131 HydrophobicContact SD-CE3 3.72Å; M109-W131 HydrophobicContact SD-CZ3 4.34Å; L112-W131 HydrophobicContact CB-CZ3 4.06Å; K113-W131 HydrophobicContact CG-CE3 3.93Å; K113-W131 HydrophobicContact CG-CZ3 4.15Å; V116-W131 HydrophobicContact CG2-CH2 3.75Å; V116-W131 HydrophobicContact CG2-CZ3 4.17Å; V122-W131 HydrophobicContact CB-CH2 4.25Å; V122-W131 HydrophobicContact CG1-CH2 4.01Å; L124-W131 HydrophobicContact CB-CZ2 4.08Å; L124-W131 HydrophobicContact CD1-CD2 3.89Å; L124-W131 VanDerWaalsContact CD1-CE2 3.47Å; L124-W131 HydrophobicContact CD1-CE3 4.09Å; L124-W131 HydrophobicContact CD1-CH2 3.56Å; L124-W131 HydrophobicContact CD1-CZ2 3.32Å; L124-W131 HydrophobicContact CD1-CZ3 3.94Å; L124-W131 HydrophobicContact CG-CH2 3.88Å; L124-W131 HydrophobicContact CG-CZ2 3.49Å; L124-W131 VanDerWaalsContact CG-CZ2 3.49Å; M126-W131 PolarHBondContact O-NE1 3.27Å; M126-W131 VanDerWaalsContact O-NE1 3.15Å; Y128-W131 AromaticContact CD2-CD2 3.97Å; Y128-W131 HydrophobicContact CD2-CD2 3.97Å; Y128-W131 HydrophobicContact CD2-CE3 4.06Å; Y128-W131 HydrophobicContact CD2-CG 4.4Å; Y128-W131 HydrophobicContact CD2-CZ3 4.39Å; Y128-W131 HydrophobicContact CE2-CD2 4.43Å; Y128-W131 HydrophobicContact CE2-CE3 4.09Å; Y128-W131 HydrophobicContact CE2-CZ3 4.37Å; Y128-W131 WeakPolarHBondContact O-CB 3.12Å; Y128-W131 PolarHBondContact O-N 3.36Å
132D85.7Confident88.3Confident121 Ų12163.9 Ų63.965%0.64736%0.36SS*.G310 helixtrans-97.4-0175-72.7-49.4000112.7K113 L130K113-D132 IonicContact NZ-OD1 2.99Å; K113-D132 PolarHBondContact NZ-OD1 2.63Å; K113-D132 IonicContact NZ-OD2 2.79Å; K113-D132 PolarHBondContact NZ-OD2 3.06Å; L130-D132 PolarHBondContact O-N 2.87Å
133E88Confident88.9Confident120 Ų12068.1 Ų68.156%0.56138%0.375SS*.SBendtrans-75.8147.5175-70.2-167.9166.300111.8L130 S135L130-E133 HydrophobicContact CD2-CG 4.23Å; L130-E133 WeakPolarHBondContact CD2-OE1 3.39Å; L130-E133 WeakPolarHBondContact CD2-OE2 3.48Å; L130-E133 WeakPolarHBondContact O-CB 3.24Å; L130-E133 PolarHBondContact O-N 3.37Å; E133-S135 PolarHBondContact O-N 2.76Å
134P89.6Confident89.5Confident56 Ų5664.6 Ų64.636%0.36436%0.355SS..PPolyproline II helixtrans-61.7132.3176.926-33.9000110.3L87 V138L87-P134 HydrophobicContact CD2-CB 4.02Å; L87-P134 HydrophobicContact CD2-CG 4Å; P134-V138 HydrophobicContact CB-CB 4.38Å; P134-V138 HydrophobicContact CB-CG1 4.12Å
135S90.3Very high90.4Very high49 Ų4961.3 Ų61.334%0.34334%0.338SS..PPolyproline II helixtrans-57.8158.5176.866.20000112.4E133 E137 V138 T139E133-S135 PolarHBondContact O-N 2.76Å; S135-E137 PolarHBondContact O-N 3.38Å; S135-V138 PolarHBondContact O-N 3.33Å; S135-V138 VanDerWaalsContact O-N 3.11Å; S135-V138 WeakPolarHBondContact OG-CG2 3.47Å; S135-V138 PolarHBondContact OG-N 2.97Å; S135-T139 PolarHBondContact O-N 2.85Å; S135-T139 PolarHBondContact O-OG1 3.05Å; S135-T139 VanDerWaalsContact O-OG1 3.1Å
136A91.4Very high91Very high58 Ų5860.9 Ų60.948%0.47932%0.316SS..Hα-helixtrans-54.2-35.9173.500000112E21 T139 N140E21-A136 VanDerWaalsContact OE1-CB 3.29Å; E21-A136 WeakPolarHBondContact OE1-CB 3.32Å; A136-T139 PolarHBondContact O-N 2.97Å; A136-N140 WeakPolarHBondContact O-CB 3.02Å; A136-N140 PolarHBondContact O-N 3.34Å
137E92.4Very high91.7Very high20 Ų2060.1 Ų60.19%0.09332%0.316CS..Hα-helixtrans-63-47.8176.3-164.4-170.2108.300112.6R22 V91 R100 Y101 S135 N140 M141R22-E137 VanDerWaalsContact O-CG 3.3Å; R22-E137 WeakPolarHBondContact O-CG 3.44Å; V91-E137 HydrophobicContact CG2-CB 4.39Å; V91-E137 WeakPolarHBondContact CG2-OE1 3.37Å; R100-E137 IonicContact CZ-OE1 3.18Å; R100-E137 IonicContact CZ-OE2 2.63Å; R100-E137 IonicContact NE-OE1 3.37Å; R100-E137 PolarHBondContact NE-OE1 2.89Å; R100-E137 VanDerWaalsContact NE-OE1 3.13Å; R100-E137 VanDerWaalsContact NH1-CD 3.33Å; R100-E137 IonicContact NH1-OE1 3.5Å; R100-E137 PolarHBondContact NH1-OE1 3.31Å; R100-E137 IonicContact NH1-OE2 3.44Å; R100-E137 PolarHBondContact NH1-OE2 3.47Å; R100-E137 IonicContact NH2-OE1 2.8Å; R100-E137 PolarHBondContact NH2-OE1 3.34Å; R100-E137 IonicContact NH2-OE2 2.66Å; R100-E137 PolarHBondContact NH2-OE2 3.45Å; Y101-E137 HydrophobicContact CE1-CG 4.45Å; Y101-E137 WeakPolarHBondContact CE1-OE1 3.45Å; Y101-E137 PolarHBondContact OH-OE1 2.97Å; S135-E137 PolarHBondContact O-N 3.38Å; E137-N140 WeakPolarHBondContact O-CB 3.47Å; E137-N140 PolarHBondContact O-N 3.46Å; E137-M141 PolarHBondContact O-N 3.39Å
138V94.5Very high92.2Very high0 Ų057.2 Ų57.20%030%0.296CS..Hα-helixtrans-67.3-38.9177.2172.30000110.9I86 L87 Y89 V91 Y101 P134 S135 N140 M141 K142I86-V138 HydrophobicContact CG2-CG1 4.44Å; I86-V138 VanDerWaalsContact O-CG1 3.31Å; I86-V138 WeakPolarHBondContact O-CG1 3.42Å; L87-V138 HydrophobicContact CD2-CG1 4.38Å; Y89-V138 WeakPolarHBondContact O-CG2 3.42Å; V91-V138 HydrophobicContact CG2-CG2 4.01Å; Y101-V138 HydrophobicContact CD1-CG2 4.41Å; Y101-V138 HydrophobicContact CE1-CG2 4.44Å; P134-V138 HydrophobicContact CB-CB 4.38Å; P134-V138 HydrophobicContact CB-CG1 4.12Å; S135-V138 PolarHBondContact O-N 3.33Å; S135-V138 VanDerWaalsContact O-N 3.11Å; S135-V138 WeakPolarHBondContact OG-CG2 3.47Å; S135-V138 PolarHBondContact OG-N 2.97Å; V138-N140 VanDerWaalsContact C-N 3.29Å; V138-N140 PolarHBondContact O-N 3.01Å; V138-M141 WeakPolarHBondContact O-CA 3.45Å; V138-M141 VanDerWaalsContact O-CB 3.25Å; V138-M141 WeakPolarHBondContact O-CB 3.1Å; V138-M141 PolarHBondContact O-N 2.86Å; V138-M141 VanDerWaalsContact O-N 3.13Å; V138-K142 PolarHBondContact O-N 3.09Å
139T95.1Very high92.9Very high47 Ų4753.3 Ų53.329%0.28828%0.282SS..Hα-helixtrans-63.5-37.7174.6-59.10000111.4S135 A136 K142 K143S135-T139 PolarHBondContact O-N 2.85Å; S135-T139 PolarHBondContact O-OG1 3.05Å; S135-T139 VanDerWaalsContact O-OG1 3.1Å; A136-T139 PolarHBondContact O-N 2.97Å; T139-K142 PolarHBondContact O-N 2.93Å; T139-K143 PolarHBondContact O-N 2.96Å
140N96.1Very high93.5Very high46 Ų4653.2 Ų53.225%0.24628%0.282CS..Hα-helixtrans-66.1-40.2172.6-173.2-84.6000111.4L23 A136 E137 V138 K142 K143 Q144L23-N140 HydrophobicContact CD2-CB 4.26Å; A136-N140 WeakPolarHBondContact O-CB 3.02Å; A136-N140 PolarHBondContact O-N 3.34Å; E137-N140 WeakPolarHBondContact O-CB 3.47Å; E137-N140 PolarHBondContact O-N 3.46Å; V138-N140 VanDerWaalsContact C-N 3.29Å; V138-N140 PolarHBondContact O-N 3.01Å; N140-K142 VanDerWaalsContact C-N 3.33Å; N140-K142 PolarHBondContact O-N 3.37Å; N140-K143 PolarHBondContact O-N 3.21Å; N140-Q144 WeakPolarHBondContact O-CG 3.34Å; N140-Q144 PolarHBondContact O-N 2.63Å; N140-Q144 PolarHBondContact OD1-NE2 3.23Å
141M96.1Very high94.1Very high1 Ų156.5 Ų56.51%0.00530%0.295CS..Hα-helixtrans-58.5-42.8175.3-160.4176.5170.100112.3P24 V29 F32 I86 Y101 E137 V138 Q144 C145P24-M141 HydrophobicContact CB-CB 4.22Å; P24-M141 HydrophobicContact CB-CG 4.02Å; P24-M141 HydrophobicContact CG-CB 3.74Å; P24-M141 HydrophobicContact CG-CG 4.07Å; V29-M141 HydrophobicContact CG2-CG 4.17Å; F32-M141 HydrophobicContact CB-CE 3.37Å; F32-M141 HydrophobicContact CD2-CE 3.28Å; F32-M141 HydrophobicContact CE2-CE 4.23Å; F32-M141 HydrophobicContact CG-CE 3.47Å; F32-M141 VanDerWaalsContact CG-CE 3.47Å; I86-M141 HydrophobicContact CG2-CB 3.92Å; I86-M141 HydrophobicContact CG2-CG 3.88Å; I86-M141 HydrophobicContact CG2-SD 3.94Å; Y101-M141 HydrophobicContact CD1-SD 3.88Å; Y101-M141 HydrophobicContact CD2-CE 4.39Å; Y101-M141 HydrophobicContact CD2-SD 4.24Å; Y101-M141 HydrophobicContact CE1-SD 3.84Å; Y101-M141 HydrophobicContact CE2-SD 4.2Å; Y101-M141 HydrophobicContact CG-SD 4.07Å; E137-M141 PolarHBondContact O-N 3.39Å; V138-M141 WeakPolarHBondContact O-CA 3.45Å; V138-M141 VanDerWaalsContact O-CB 3.25Å; V138-M141 WeakPolarHBondContact O-CB 3.1Å; V138-M141 PolarHBondContact O-N 2.86Å; V138-M141 VanDerWaalsContact O-N 3.13Å; M141-Q144 PolarHBondContact O-N 3.13Å; M141-C145 WeakPolarHBondContact O-CB 3.48Å; M141-C145 PolarHBondContact O-N 2.94Å
142K97.1Very high94.7Very high32 Ų3258.3 Ų58.314%0.13930%0.302CS..Hα-helixtrans-57.3-49.4172.9175.5-175-163.5-820111.8C83 E84 L87 V138 T139 N140 Q144 C145 E146C83-K142 HydrophobicContact CB-CG 4.48Å; E84-K142 WeakPolarHBondContact OE1-CE 3.41Å; E84-K142 IonicContact OE1-NZ 2.65Å; E84-K142 PolarHBondContact OE1-NZ 3.44Å; E84-K142 WeakPolarHBondContact OE2-CE 3.48Å; E84-K142 IonicContact OE2-NZ 2.63Å; L87-K142 HydrophobicContact CD1-CD 3.91Å; L87-K142 HydrophobicContact CD2-CB 4.26Å; L87-K142 HydrophobicContact CD2-CD 3.81Å; L87-K142 HydrophobicContact CG-CD 3.83Å; V138-K142 PolarHBondContact O-N 3.09Å; T139-K142 PolarHBondContact O-N 2.93Å; N140-K142 VanDerWaalsContact C-N 3.33Å; N140-K142 PolarHBondContact O-N 3.37Å; K142-Q144 VanDerWaalsContact C-N 3.3Å; K142-Q144 PolarHBondContact O-N 2.76Å; K142-C145 WeakPolarHBondContact O-CA 3.42Å; K142-C145 VanDerWaalsContact O-CB 3.24Å; K142-C145 WeakPolarHBondContact O-CB 3.3Å; K142-C145 PolarHBondContact O-N 3.09Å; K142-C145 VanDerWaalsContact O-N 3.09Å; K142-E146 IonicContact NZ-OE1 3.14Å; K142-E146 PolarHBondContact NZ-OE1 2.65Å; K142-E146 WeakPolarHBondContact O-CG 3.22Å; K142-E146 PolarHBondContact O-N 3.26Å
143K97.1Very high95.2Very high124 Ų12457.2 Ų57.254%0.53929%0.293SS..Hα-helixtrans-60.8-41179.4-68.4176-179.4178.80112T139 N140 C145 E146 T147T139-K143 PolarHBondContact O-N 2.96Å; N140-K143 PolarHBondContact O-N 3.21Å; K143-C145 VanDerWaalsContact C-N 3.34Å; K143-E146 PolarHBondContact O-N 2.77Å; K143-T147 PolarHBondContact O-N 3.2Å; K143-T147 PolarHBondContact O-OG1 2.6Å
144Q97.3Very high95.6Very high53 Ų5357.7 Ų57.725%0.24830%0.3CS..Hα-helixtrans-67.9-34.8175.5-68.3-167.15800112P24 V29 N140 M141 K142 M148P24-Q144 PolarHBondContact O-NE2 3.02Å; V29-Q144 HydrophobicContact CB-CB 4.37Å; V29-Q144 HydrophobicContact CG1-CB 3.87Å; V29-Q144 HydrophobicContact CG2-CB 3.63Å; V29-Q144 HydrophobicContact CG2-CG 4.39Å; N140-Q144 WeakPolarHBondContact O-CG 3.34Å; N140-Q144 PolarHBondContact O-N 2.63Å; N140-Q144 PolarHBondContact OD1-NE2 3.23Å; M141-Q144 PolarHBondContact O-N 3.13Å; K142-Q144 VanDerWaalsContact C-N 3.3Å; K142-Q144 PolarHBondContact O-N 2.76Å; Q144-M148 VanDerWaalsContact O-CB 3.25Å; Q144-M148 WeakPolarHBondContact O-CB 3.31Å; Q144-M148 PolarHBondContact O-N 2.85Å
145C97.9Very high96Very high1 Ų156.3 Ų56.31%0.00729%0.29CS..Hα-helixtrans-59.8-49.9172.8174.10000110.8V29 L33 C83 I86 M141 K142 K143 T147 M148 L149V29-C145 HydrophobicContact CG1-CB 4.34Å; L33-C145 HydrophobicContact CD1-CB 4.49Å; L33-C145 WeakPolarHBondContact CD1-SG 3.27Å; C83-C145 WeakPolarHBondContact CA-SG 3.3Å; C83-C145 HydrophobicContact CB-CB 3.84Å; C83-C145 WeakPolarHBondContact CB-SG 2.99Å; C83-C145 WeakPolarHBondContact SG-CB 3.42Å; C83-C145 CovalentContact SG-SG 2.06Å; C83-C145 PolarHBondContact SG-SG 2.68Å; I86-C145 HydrophobicContact CG1-CB 4.37Å; M141-C145 WeakPolarHBondContact O-CB 3.48Å; M141-C145 PolarHBondContact O-N 2.94Å; K142-C145 WeakPolarHBondContact O-CA 3.42Å; K142-C145 VanDerWaalsContact O-CB 3.24Å; K142-C145 WeakPolarHBondContact O-CB 3.3Å; K142-C145 PolarHBondContact O-N 3.09Å; K142-C145 VanDerWaalsContact O-N 3.09Å; K143-C145 VanDerWaalsContact C-N 3.34Å; C145-T147 PolarHBondContact O-N 2.71Å; C145-M148 PolarHBondContact O-N 3.14Å; C145-L149 WeakPolarHBondContact O-CB 3.32Å; C145-L149 PolarHBondContact O-N 3.06Å
146E97.8Very high96.3Very high66 Ų6654.1 Ų54.131%0.30827%0.274SS..Hα-helixtrans-58.4-50.1178.1-68.3165.3167.500110.6C83 K142 K143 M148 L149 E150C83-E146 HydrophobicContact CB-CG 3.79Å; C83-E146 PolarHBondContact SG-N 2.77Å; K142-E146 IonicContact NZ-OE1 3.14Å; K142-E146 PolarHBondContact NZ-OE1 2.65Å; K142-E146 WeakPolarHBondContact O-CG 3.22Å; K142-E146 PolarHBondContact O-N 3.26Å; K143-E146 PolarHBondContact O-N 2.77Å; E146-M148 VanDerWaalsContact C-N 3.29Å; E146-M148 PolarHBondContact O-N 3.29Å; E146-L149 PolarHBondContact O-N 3.41Å; E146-E150 WeakPolarHBondContact O-CG 3.25Å; E146-E150 PolarHBondContact O-N 3.32Å
147T97.6Very high96.5Very high67 Ų6754.3 Ų54.341%0.41127%0.266SS..Hα-helixtrans-60.6-38.8178.7-56.40000112.1K143 C145 Q151K143-T147 PolarHBondContact O-N 3.2Å; K143-T147 PolarHBondContact O-OG1 2.6Å; C145-T147 PolarHBondContact O-N 2.71Å; T147-Q151 WeakPolarHBondContact O-CB 3.29Å; T147-Q151 WeakPolarHBondContact O-CG 3.5Å; T147-Q151 PolarHBondContact O-N 2.91Å; T147-Q151 VanDerWaalsContact O-N 3.15Å
148M97.1Very high96.7Very high13 Ų1356.4 Ų56.46%0.06428%0.278CS..Hα-helixtrans-70.1-42.3178.7-174.4175.9-65.100111.1V29 C30 L33 Q144 C145 E146 Q151 Y152 V177V29-M148 HydrophobicContact CB-CE 3.91Å; V29-M148 HydrophobicContact CG1-CE 3.68Å; V29-M148 HydrophobicContact CG1-SD 4.16Å; C30-M148 VanDerWaalsContact CA-SD 3.6Å; C30-M148 HydrophobicContact CB-CE 4.02Å; C30-M148 HydrophobicContact CB-SD 3.61Å; L33-M148 HydrophobicContact CD2-CG 4.2Å; L33-M148 HydrophobicContact CD2-SD 3.97Å; Q144-M148 VanDerWaalsContact O-CB 3.25Å; Q144-M148 WeakPolarHBondContact O-CB 3.31Å; Q144-M148 PolarHBondContact O-N 2.85Å; C145-M148 PolarHBondContact O-N 3.14Å; E146-M148 VanDerWaalsContact C-N 3.29Å; E146-M148 PolarHBondContact O-N 3.29Å; M148-Q151 PolarHBondContact O-N 3.22Å; M148-Y152 HydrophobicContact CG-CD2 3.82Å; M148-Y152 HydrophobicContact CG-CE2 4.19Å; M148-Y152 VanDerWaalsContact O-CD2 3.25Å; M148-Y152 WeakPolarHBondContact O-CD2 3.42Å; M148-Y152 PolarHBondContact O-N 3.42Å; M148-V177 HydrophobicContact CE-CG1 3.81Å; M148-V177 HydrophobicContact SD-CG1 4.16Å; M148-V177 HydrophobicContact SD-CG2 4.38Å
149L96.6Very high96.9Very high16 Ų1657 Ų578%0.08428%0.28CS..Hα-helixtrans-64-43.3179.4-16953.3000111.1L33 V79 C145 E146 Q151 Y152 E153 V156L33-L149 HydrophobicContact CD1-CB 4.19Å; L33-L149 HydrophobicContact CD1-CD1 4.33Å; L33-L149 HydrophobicContact CD1-CD2 4.43Å; V79-L149 HydrophobicContact CB-CD2 4.45Å; V79-L149 HydrophobicContact CG1-CD1 4.09Å; V79-L149 HydrophobicContact CG1-CD2 3.59Å; V79-L149 HydrophobicContact CG1-CG 3.88Å; C145-L149 WeakPolarHBondContact O-CB 3.32Å; C145-L149 PolarHBondContact O-N 3.06Å; E146-L149 PolarHBondContact O-N 3.41Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 3.01Å; L149-Y152 PolarHBondContact O-N 3.13Å; L149-E153 WeakPolarHBondContact O-CA 3.32Å; L149-E153 PolarHBondContact O-N 3.18Å; L149-V156 HydrophobicContact CD1-CG2 4.41Å
150E96.6Very high96.9Very high146 Ų14655 Ų5568%0.68227%0.267SS*.Hα-helixtrans-58.7-40.4172.7-72173.2-173.100112.5E146E146-E150 WeakPolarHBondContact O-CG 3.25Å; E146-E150 PolarHBondContact O-N 3.32Å
151Q97.4Very high96.9Very high132 Ų13257.1 Ų57.162%0.61727%0.274SS*.Hα-helixtrans-73.6-28.4-178-77.51755.300114T147 M148 L149T147-Q151 WeakPolarHBondContact O-CB 3.29Å; T147-Q151 WeakPolarHBondContact O-CG 3.5Å; T147-Q151 PolarHBondContact O-N 2.91Å; T147-Q151 VanDerWaalsContact O-N 3.15Å; M148-Q151 PolarHBondContact O-N 3.22Å; L149-Q151 VanDerWaalsContact C-N 3.31Å; L149-Q151 PolarHBondContact O-N 3.01Å
152Y97.1Very high96.8Very high56 Ų5663 Ų6322%0.2230%0.301CS..SBendtrans-121.420.9-171.7-62.4-79.2000112.9M148 L149 D154 V155 V156 L172 H176 V177M148-Y152 HydrophobicContact CG-CD2 3.82Å; M148-Y152 HydrophobicContact CG-CE2 4.19Å; M148-Y152 VanDerWaalsContact O-CD2 3.25Å; M148-Y152 WeakPolarHBondContact O-CD2 3.42Å; M148-Y152 PolarHBondContact O-N 3.42Å; L149-Y152 PolarHBondContact O-N 3.13Å; Y152-D154 PolarHBondContact O-N 2.9Å; Y152-V155 HydrophobicContact CD1-CG2 4.27Å; Y152-V155 WeakPolarHBondContact O-CB 2.99Å; Y152-V155 PolarHBondContact O-N 3.42Å; Y152-V155 VanDerWaalsContact O-N 3.09Å; Y152-V156 WeakPolarHBondContact O-CG2 3.22Å; Y152-V156 PolarHBondContact O-N 2.84Å; Y152-L172 HydrophobicContact CD1-CD1 4.17Å; Y152-L172 HydrophobicContact CG-CD1 3.93Å; Y152-H176 HydrophobicContact CD1-CB 4.1Å; Y152-H176 HydrophobicContact CE1-CB 3.96Å; Y152-V177 HydrophobicContact CD1-CG2 4.47Å; Y152-V177 HydrophobicContact CD2-CG2 3.98Å; Y152-V177 HydrophobicContact CE1-CG2 4.23Å; Y152-V177 HydrophobicContact CE2-CG2 3.76Å; Y152-V177 HydrophobicContact CG-CG2 4.36Å
153E96.4Very high96.7Very high99 Ų9964 Ų6446%0.46331%0.306SS..Hα-helixtrans-52.5-53.3178.6-175.5172.6-157.200111.4L149 V155 V156 E157L149-E153 WeakPolarHBondContact O-CA 3.32Å; L149-E153 PolarHBondContact O-N 3.18Å; E153-V155 PolarHBondContact O-N 3.43Å; E153-V155 VanDerWaalsContact O-N 3.13Å; E153-V156 WeakPolarHBondContact O-CA 3.04Å; E153-V156 WeakPolarHBondContact O-CB 3.45Å; E153-V156 PolarHBondContact O-N 3.26Å; E153-E157 WeakPolarHBondContact O-CG 3.43Å; E153-E157 PolarHBondContact O-N 3.48Å
154D96.4Very high96.4Very high130 Ų13063.1 Ų63.170%0.69530%0.304SS*.Hα-helixtrans-54.7-36.7178-61.9-25000112.9Y152 D158Y152-D154 PolarHBondContact O-N 2.9Å; D154-D158 WeakPolarHBondContact O-CB 3.36Å; D154-D158 PolarHBondContact O-N 2.96Å
155V97.3Very high96.1Very high26 Ų2666.8 Ų66.816%0.15833%0.326CS..Hα-helixtrans-73.7-38.4-179.8-179.20000110.7Y152 E153 W159 F171 L172Y152-V155 HydrophobicContact CD1-CG2 4.27Å; Y152-V155 WeakPolarHBondContact O-CB 2.99Å; Y152-V155 PolarHBondContact O-N 3.42Å; Y152-V155 VanDerWaalsContact O-N 3.09Å; E153-V155 PolarHBondContact O-N 3.43Å; E153-V155 VanDerWaalsContact O-N 3.13Å; V155-W159 WeakPolarHBondContact O-CB 3.3Å; V155-W159 PolarHBondContact O-N 3.26Å; V155-F171 HydrophobicContact CG1-CD1 4.11Å; V155-F171 HydrophobicContact CG1-CE1 3.75Å; V155-L172 HydrophobicContact CB-CD1 4.21Å; V155-L172 HydrophobicContact CG1-CD1 3.82Å
156V97.1Very high95.8Very high3 Ų373.5 Ų73.52%0.01835%0.351CS..Hα-helixtrans-67-40.8175.5171.70000110.6L37 L75 L149 Y152 E153 W159 Y160 L172L37-V156 HydrophobicContact CD2-CG1 3.64Å; L75-V156 HydrophobicContact CD1-CG1 4.24Å; L149-V156 HydrophobicContact CD1-CG2 4.41Å; Y152-V156 WeakPolarHBondContact O-CG2 3.22Å; Y152-V156 PolarHBondContact O-N 2.84Å; E153-V156 WeakPolarHBondContact O-CA 3.04Å; E153-V156 WeakPolarHBondContact O-CB 3.45Å; E153-V156 PolarHBondContact O-N 3.26Å; V156-W159 PolarHBondContact O-N 2.8Å; V156-Y160 WeakPolarHBondContact O-CB 3.44Å; V156-Y160 PolarHBondContact O-N 2.86Å; V156-L172 HydrophobicContact CG2-CD2 3.98Å
157E96.4Very high95.7Very high63 Ų6376.7 Ų76.729%0.29436%0.36SS..Hα-helixtrans-62.1-49.7174-70.6-170.6170.900111.8L75 E153 W159 Y160 F161L75-E157 HydrophobicContact CD2-CB 4.36Å; L75-E157 HydrophobicContact CD2-CG 3.85Å; E153-E157 WeakPolarHBondContact O-CG 3.43Å; E153-E157 PolarHBondContact O-N 3.48Å; E157-W159 VanDerWaalsContact C-N 3.27Å; E157-W159 PolarHBondContact O-N 3.36Å; E157-Y160 PolarHBondContact O-N 3.33Å; E157-F161 HydrophobicContact CB-CD2 4.48Å; E157-F161 WeakPolarHBondContact O-CD2 3.44Å; E157-F161 PolarHBondContact O-N 3.05Å
158D96.8Very high95.6Very high64 Ų6473.5 Ų73.534%0.34234%0.34SS..Hα-helixtrans-58.1-43.1177.7-176.556.7000111.4D154 Y160 F161 H162 H163D154-D158 WeakPolarHBondContact O-CB 3.36Å; D154-D158 PolarHBondContact O-N 2.96Å; D158-Y160 PolarHBondContact O-N 2.71Å; D158-F161 PolarHBondContact O-N 2.66Å; D158-H162 WeakPolarHBondContact O-CB 3.47Å; D158-H162 PolarHBondContact O-N 3.15Å; D158-H162 PolarHBondContact O-ND1 2.74Å; D158-H162 IonicContact OD1-CE1 3.13Å; D158-H162 IonicContact OD1-CG 3.75Å; D158-H162 IonicContact OD1-ND1 2.77Å; D158-H162 PolarHBondContact OD1-ND1 3.08Å; D158-H163 IonicContact OD2-CD2 3.42Å; D158-H163 PolarHBondContact OD2-CD2 3.36Å; D158-H163 IonicContact OD2-NE2 3.56Å
159W97.1Very high95.5Very high13 Ų1373.9 Ų73.95%0.04934%0.342CS..Hα-helixtrans-59.2-47173.7174.578.4000112.2E38 L41 V155 V156 E157 F161 H163 Q164 R166 L168 F171E38-W159 HydrophobicContact CG-CH2 4.43Å; L41-W159 HydrophobicContact CD1-CH2 4.11Å; L41-W159 HydrophobicContact CD1-CZ3 3.72Å; V155-W159 WeakPolarHBondContact O-CB 3.3Å; V155-W159 PolarHBondContact O-N 3.26Å; V156-W159 PolarHBondContact O-N 2.8Å; E157-W159 VanDerWaalsContact C-N 3.27Å; E157-W159 PolarHBondContact O-N 3.36Å; W159-F161 PolarHBondContact O-N 3.43Å; W159-H163 PolarHBondContact NE1-O 3.11Å; W159-H163 VanDerWaalsContact NE1-O 3.13Å; W159-H163 CarbonylContact O-C 3.54Å; W159-H163 VanDerWaalsContact O-C 3.28Å; W159-H163 WeakPolarHBondContact O-CA 3.39Å; W159-H163 PolarHBondContact O-N 3.27Å; W159-Q164 PolarHBondContact O-N 3.17Å; W159-R166 PolarHBondContact NE1-O 3.22Å; W159-L168 HydrophobicContact CB-CD1 4.19Å; W159-L168 HydrophobicContact CD2-CB 4.07Å; W159-L168 HydrophobicContact CD2-CD1 3.55Å; W159-L168 HydrophobicContact CD2-CG 4.28Å; W159-L168 HydrophobicContact CE3-CB 4.35Å; W159-L168 HydrophobicContact CE3-CD1 3.73Å; W159-L168 HydrophobicContact CE3-CD2 4.35Å; W159-L168 HydrophobicContact CE3-CG 4.33Å; W159-L168 HydrophobicContact CG-CD1 3.74Å; W159-L168 HydrophobicContact CH2-CB 3.91Å; W159-L168 HydrophobicContact CH2-CD2 4.49Å; W159-L168 HydrophobicContact CZ2-CB 3.63Å; W159-L168 HydrophobicContact CZ3-CB 4.26Å; W159-L168 HydrophobicContact CZ3-CD1 4.34Å; W159-L168 HydrophobicContact CZ3-CD2 4.19Å; W159-L168 HydrophobicContact CZ3-CG 4.47Å; W159-F171 HydrophobicContact CB-CD1 3.62Å; W159-F171 HydrophobicContact CB-CE1 3.74Å; W159-F171 HydrophobicContact CB-CG 4.25Å; W159-F171 HydrophobicContact CB-CZ 4.46Å; W159-F171 AromaticContact CD1-CD1 3.87Å; W159-F171 AromaticContact CD1-CG 3.59Å; W159-F171 HydrophobicContact CG-CB 4.41Å; W159-F171 HydrophobicContact CG-CD1 4.04Å; W159-F171 HydrophobicContact CG-CG 4.22Å
160Y95.9Very high95.4Very high4 Ų476.4 Ų76.42%0.01636%0.356CS..Hα-helixtrans-64.8-36.9-177.1179.6-99.3000112.7L41 N69 S71 R74 L75 V156 E157 D158 Q164L41-Y160 HydrophobicContact CD1-CD2 3.92Å; L41-Y160 HydrophobicContact CD1-CE2 4.13Å; L41-Y160 HydrophobicContact CD2-CD2 4.41Å; L41-Y160 HydrophobicContact CD2-CE2 3.85Å; N69-Y160 PolarHBondContact O-OH 3.44Å; S71-Y160 PolarHBondContact O-OH 3.33Å; R74-Y160 WeakPolarHBondContact CD-OH 3.37Å; R74-Y160 PolarHBondContact NH1-OH 3.42Å; L75-Y160 HydrophobicContact CB-CD1 3.98Å; L75-Y160 HydrophobicContact CB-CD2 4.44Å; L75-Y160 HydrophobicContact CB-CE1 3.89Å; L75-Y160 HydrophobicContact CB-CE2 4.38Å; L75-Y160 HydrophobicContact CB-CG 4.25Å; L75-Y160 HydrophobicContact CD1-CD1 4.47Å; L75-Y160 HydrophobicContact CD1-CD2 3.9Å; L75-Y160 HydrophobicContact CD1-CE2 4.46Å; L75-Y160 HydrophobicContact CD1-CG 3.91Å; L75-Y160 HydrophobicContact CD2-CD1 3.82Å; L75-Y160 HydrophobicContact CD2-CG 3.87Å; L75-Y160 HydrophobicContact CG-CD1 4.32Å; L75-Y160 HydrophobicContact CG-CG 4.23Å; V156-Y160 WeakPolarHBondContact O-CB 3.44Å; V156-Y160 PolarHBondContact O-N 2.86Å; E157-Y160 PolarHBondContact O-N 3.33Å; D158-Y160 PolarHBondContact O-N 2.71Å; Y160-Q164 VanDerWaalsContact CE2-NE2 3.28Å; Y160-Q164 VanDerWaalsContact O-CD 3.24Å; Y160-Q164 WeakPolarHBondContact O-CG 3.27Å; Y160-Q164 PolarHBondContact O-NE2 3.19Å
161F95.1Very high95.3Very high90 Ų9070.3 Ų70.340%0.39533%0.327SS..Hα-helixtrans-89.4-28.5-178.2-68.7-66.5000113.9E72 L75 E157 D158 W159E72-F161 HydrophobicContact CB-CZ 4Å; E72-F161 HydrophobicContact CG-CZ 4.32Å; L75-F161 HydrophobicContact CD2-CE2 4.41Å; E157-F161 HydrophobicContact CB-CD2 4.48Å; E157-F161 WeakPolarHBondContact O-CD2 3.44Å; E157-F161 PolarHBondContact O-N 3.05Å; D158-F161 PolarHBondContact O-N 2.66Å; W159-F161 PolarHBondContact O-N 3.43Å
162H95.5Very high95.3Very high124 Ų12464 Ų6457%0.57430%0.297SS*.Hα-helixtrans-123-18.5-169.3-51.6118.8000115.1D158D158-H162 WeakPolarHBondContact O-CB 3.47Å; D158-H162 PolarHBondContact O-N 3.15Å; D158-H162 PolarHBondContact O-ND1 2.74Å; D158-H162 IonicContact OD1-CE1 3.13Å; D158-H162 IonicContact OD1-CG 3.75Å; D158-H162 IonicContact OD1-ND1 2.77Å; D158-H162 PolarHBondContact OD1-ND1 3.08Å
163H94.4Very high95.2Very high54 Ų5461.3 Ų61.325%0.2529%0.287CS..  trans-134.826.2-167.5-55.7-55.6000115.6D158 W159 D165 R166 F171D158-H163 IonicContact OD2-CD2 3.42Å; D158-H163 PolarHBondContact OD2-CD2 3.36Å; D158-H163 IonicContact OD2-NE2 3.56Å; W159-H163 PolarHBondContact NE1-O 3.11Å; W159-H163 VanDerWaalsContact NE1-O 3.13Å; W159-H163 CarbonylContact O-C 3.54Å; W159-H163 VanDerWaalsContact O-C 3.28Å; W159-H163 WeakPolarHBondContact O-CA 3.39Å; W159-H163 PolarHBondContact O-N 3.27Å; H163-D165 WeakPolarHBondContact CA-OD1 3.45Å; H163-D165 PolarHBondContact O-N 3.44Å; H163-R166 PolarHBondContact O-N 3.1Å; H163-F171 HydrophobicContact CB-CD2 4.13Å; H163-F171 HydrophobicContact CB-CE2 3.88Å; H163-F171 HydrophobicContact CB-CZ 4.42Å; H163-F171 AromaticContact CD2-CE2 3.39Å; H163-F171 WeakPolarHBondContact CD2-CE2 3.42Å; H163-F171 AromaticContact CD2-CZ 3.44Å; H163-F171 VanDerWaalsContact CD2-CZ 3.44Å; H163-F171 WeakPolarHBondContact CD2-CZ 3.29Å; H163-F171 AromaticContact CG-CE2 3.67Å
164Q89.8Confident95.1Very high106 Ų10658.7 Ų58.750%0.49528%0.275SS..THydrogen-bonded Turntrans-62.4-8.6175.1-67.4-170.6-3.400114.3W159 Y160 R166W159-Q164 PolarHBondContact O-N 3.17Å; Y160-Q164 VanDerWaalsContact CE2-NE2 3.28Å; Y160-Q164 VanDerWaalsContact O-CD 3.24Å; Y160-Q164 WeakPolarHBondContact O-CG 3.27Å; Y160-Q164 PolarHBondContact O-NE2 3.19Å; Q164-R166 PolarHBondContact O-N 2.91Å
165D91.3Very high95Very high130 Ų13057.5 Ų57.570%0.69527%0.268SS*.THydrogen-bonded Turntrans-70-17.3170.263.6-62.8000113H163H163-D165 WeakPolarHBondContact CA-OD1 3.45Å; H163-D165 PolarHBondContact O-N 3.44Å
166R93.2Very high94.8Very high141 Ų14160.4 Ų60.453%0.53228%0.28SS..SBendtrans-109.6148.9-180-55.8-174.1-174.8-168.83.1110.6W159 H163 Q164 L168W159-R166 PolarHBondContact NE1-O 3.22Å; H163-R166 PolarHBondContact O-N 3.1Å; Q164-R166 PolarHBondContact O-N 2.91Å; R166-L168 PolarHBondContact O-N 3.1Å
167R94.6Very high94.7Very high134 Ų13461.2 Ų61.251%0.50629%0.285SS..  trans-63.2133.1170.8-61.8-162.169.7-161.6-5.9110.3E38 E169 N170 F171E38-R167 VanDerWaalsContact OE1-CA 3.27Å; E38-R167 WeakPolarHBondContact OE1-CA 3.23Å; E38-R167 IonicContact OE2-CZ 2.78Å; E38-R167 IonicContact OE2-NE 3.67Å; E38-R167 IonicContact OE2-NH2 3.67Å; E38-R167 PolarHBondContact OE2-NH2 2.87Å; E38-R167 VanDerWaalsContact OE2-NH2 3.17Å; R167-E169 IonicContact NH1-OE1 3.24Å; R167-E169 PolarHBondContact O-N 3.09Å; R167-N170 PolarHBondContact O-N 3.28Å; R167-N170 VanDerWaalsContact O-N 3.15Å; R167-F171 PolarHBondContact O-N 3.28Å
168L95.2Very high94.7Very high0 Ų058.7 Ų58.70%027%0.273CS..Hα-helixtrans-60.5-37.7179.3178.260.9000111.3T34 L37 E38 W159 R166 N170 F171 L172T34-L168 HydrophobicContact CG2-CD2 3.95Å; T34-L168 HydrophobicContact CG2-CG 3.68Å; L37-L168 HydrophobicContact CB-CD2 3.9Å; L37-L168 HydrophobicContact CD2-CD2 3.45Å; L37-L168 VanDerWaalsContact CD2-CD2 3.45Å; L37-L168 HydrophobicContact CG-CD2 3.7Å; E38-L168 HydrophobicContact CG-CB 3.83Å; E38-L168 PolarHBondContact OE1-N 3.06Å; W159-L168 HydrophobicContact CB-CD1 4.19Å; W159-L168 HydrophobicContact CD2-CB 4.07Å; W159-L168 HydrophobicContact CD2-CD1 3.55Å; W159-L168 HydrophobicContact CD2-CG 4.28Å; W159-L168 HydrophobicContact CE3-CB 4.35Å; W159-L168 HydrophobicContact CE3-CD1 3.73Å; W159-L168 HydrophobicContact CE3-CD2 4.35Å; W159-L168 HydrophobicContact CE3-CG 4.33Å; W159-L168 HydrophobicContact CG-CD1 3.74Å; W159-L168 HydrophobicContact CH2-CB 3.91Å; W159-L168 HydrophobicContact CH2-CD2 4.49Å; W159-L168 HydrophobicContact CZ2-CB 3.63Å; W159-L168 HydrophobicContact CZ3-CB 4.26Å; W159-L168 HydrophobicContact CZ3-CD1 4.34Å; W159-L168 HydrophobicContact CZ3-CD2 4.19Å; W159-L168 HydrophobicContact CZ3-CG 4.47Å; R166-L168 PolarHBondContact O-N 3.1Å; L168-N170 VanDerWaalsContact C-N 3.29Å; L168-N170 PolarHBondContact O-N 2.79Å; L168-F171 PolarHBondContact O-N 2.93Å; L168-F171 VanDerWaalsContact O-N 3.14Å; L168-L172 HydrophobicContact CD1-CB 3.92Å; L168-L172 HydrophobicContact CG-CB 4.47Å; L168-L172 WeakPolarHBondContact O-CB 3.47Å; L168-L172 PolarHBondContact O-N 3.18Å
169E94.9Very high94.5Very high21 Ų2162.6 Ų62.610%0.09829%0.287CS..Iπ-helixtrans-52.4-47.7175-175177.866.300111.4R167 C173 E174 L186R167-E169 IonicContact NH1-OE1 3.24Å; R167-E169 PolarHBondContact O-N 3.09Å; E169-C173 WeakPolarHBondContact O-CA 3.35Å; E169-C173 WeakPolarHBondContact O-CB 3.23Å; E169-C173 PolarHBondContact O-N 3.47Å; E169-E174 PolarHBondContact O-N 3.49Å; E169-L186 HydrophobicContact CG-CD1 4.44Å; E169-L186 HydrophobicContact CG-CD2 3.8Å
170N94.2Very high94Very high69 Ų6967.5 Ų67.537%0.36932%0.319SS..Iπ-helixtrans-74-35.2179.3-62.90.7000111.9R167 L168 E174 N175R167-N170 PolarHBondContact O-N 3.28Å; R167-N170 VanDerWaalsContact O-N 3.15Å; L168-N170 VanDerWaalsContact C-N 3.29Å; L168-N170 PolarHBondContact O-N 2.79Å; N170-E174 WeakPolarHBondContact O-CB 3.19Å; N170-E174 PolarHBondContact OD1-OE1 2.92Å; N170-N175 PolarHBondContact O-ND2 2.99Å
171F95.9Very high93.6Very high17 Ų1771.8 Ų71.88%0.07535%0.349CS..Iπ-helixtrans-69.5-55.5-179.1-169.8-92.1000110.9V155 W159 H163 R167 L168 N175 H176V155-F171 HydrophobicContact CG1-CD1 4.11Å; V155-F171 HydrophobicContact CG1-CE1 3.75Å; W159-F171 HydrophobicContact CB-CD1 3.62Å; W159-F171 HydrophobicContact CB-CE1 3.74Å; W159-F171 HydrophobicContact CB-CG 4.25Å; W159-F171 HydrophobicContact CB-CZ 4.46Å; W159-F171 AromaticContact CD1-CD1 3.87Å; W159-F171 AromaticContact CD1-CG 3.59Å; W159-F171 HydrophobicContact CG-CB 4.41Å; W159-F171 HydrophobicContact CG-CD1 4.04Å; W159-F171 HydrophobicContact CG-CG 4.22Å; H163-F171 HydrophobicContact CB-CD2 4.13Å; H163-F171 HydrophobicContact CB-CE2 3.88Å; H163-F171 HydrophobicContact CB-CZ 4.42Å; H163-F171 AromaticContact CD2-CE2 3.39Å; H163-F171 WeakPolarHBondContact CD2-CE2 3.42Å; H163-F171 AromaticContact CD2-CZ 3.44Å; H163-F171 VanDerWaalsContact CD2-CZ 3.44Å; H163-F171 WeakPolarHBondContact CD2-CZ 3.29Å; H163-F171 AromaticContact CG-CE2 3.67Å; R167-F171 PolarHBondContact O-N 3.28Å; L168-F171 PolarHBondContact O-N 2.93Å; L168-F171 VanDerWaalsContact O-N 3.14Å; F171-N175 VanDerWaalsContact O-CB 3.32Å; F171-N175 WeakPolarHBondContact O-CB 3.4Å; F171-N175 PolarHBondContact O-ND2 3.2Å; F171-H176 PolarHBondContact O-CD2 3.29Å; F171-H176 VanDerWaalsContact O-CD2 3.31Å
172L96.3Very high93.3Very high0 Ų071 Ų710%035%0.347CS..Iπ-helixtrans-80.9-57.1-176.2179.864.4000112.1L33 T34 Y152 V155 V156 L168 H176 V177L33-L172 HydrophobicContact CD2-CD2 3.8Å; T34-L172 HydrophobicContact CG2-CB 4.21Å; T34-L172 HydrophobicContact CG2-CD2 3.77Å; T34-L172 HydrophobicContact CG2-CG 4.43Å; Y152-L172 HydrophobicContact CD1-CD1 4.17Å; Y152-L172 HydrophobicContact CG-CD1 3.93Å; V155-L172 HydrophobicContact CB-CD1 4.21Å; V155-L172 HydrophobicContact CG1-CD1 3.82Å; V156-L172 HydrophobicContact CG2-CD2 3.98Å; L168-L172 HydrophobicContact CD1-CB 3.92Å; L168-L172 HydrophobicContact CG-CB 4.47Å; L168-L172 WeakPolarHBondContact O-CB 3.47Å; L168-L172 PolarHBondContact O-N 3.18Å; L172-H176 HydrophobicContact CD1-CB 4.38Å; L172-H176 WeakPolarHBondContact O-CB 3.49Å; L172-H176 PolarHBondContact O-N 3.32Å; L172-V177 HydrophobicContact CD1-CG2 4.03Å; L172-V177 HydrophobicContact CG-CG2 4Å; L172-V177 PolarHBondContact O-N 3.19Å; L172-V177 VanDerWaalsContact O-N 3.13Å
173C96.1Very high93Very high0 Ų068.3 Ų68.30%033%0.331CS..Iπ-helixtrans-70-46.5-169.4-55.10000112.1C30 T34 E169 L178 L186C30-C173 HydrophobicContact CB-CB 3.9Å; C30-C173 WeakPolarHBondContact CB-SG 3.41Å; C30-C173 PolarHBondContact O-SG 2.94Å; C30-C173 WeakPolarHBondContact SG-CA 3.39Å; C30-C173 WeakPolarHBondContact SG-CB 3.42Å; C30-C173 CovalentContact SG-SG 2.03Å; C30-C173 PolarHBondContact SG-SG 2.96Å; T34-C173 VanDerWaalsContact CG2-SG 3.51Å; E169-C173 WeakPolarHBondContact O-CA 3.35Å; E169-C173 WeakPolarHBondContact O-CB 3.23Å; E169-C173 PolarHBondContact O-N 3.47Å; C173-L178 HydrophobicContact CB-CD1 3.93Å; C173-L178 HydrophobicContact CB-CG 4.38Å; C173-L178 WeakPolarHBondContact O-CB 3.42Å; C173-L178 VanDerWaalsContact O-CG 3.29Å; C173-L178 WeakPolarHBondContact O-CG 3.47Å; C173-L178 PolarHBondContact O-N 3.41Å; C173-L186 HydrophobicContact CB-CD1 4.24Å
174E94.3Very high92.8Very high44 Ų4473.1 Ų73.121%0.20635%0.354CS..Iπ-helixtrans-73.5-40.5-178.8-65.2-164.8-14200113.3E169 N170 R183 L186E169-E174 PolarHBondContact O-N 3.49Å; N170-E174 WeakPolarHBondContact O-CB 3.19Å; N170-E174 PolarHBondContact OD1-OE1 2.92Å; E174-R183 VanDerWaalsContact O-CZ 3.3Å; E174-R183 PolarHBondContact O-NH2 2.9Å; E174-R183 IonicContact OE2-NH1 3.26Å; E174-R183 PolarHBondContact OE2-NH1 2.57Å; E174-L186 HydrophobicContact CG-CD1 3.72Å
175N93.8Very high92.9Very high104 Ų10468.3 Ų68.356%0.55633%0.332SS*.Iπ-helixtrans-91.1-29.5-171-52.9-49.3000114N170 F171N170-N175 PolarHBondContact O-ND2 2.99Å; F171-N175 VanDerWaalsContact O-CB 3.32Å; F171-N175 WeakPolarHBondContact O-CB 3.4Å; F171-N175 PolarHBondContact O-ND2 3.2Å
176H93.8Very high92.9Very high88 Ų8862.9 Ų62.941%0.40730%0.303SS..Iπ-helixtrans-114.1-39.5-172.8-64-89000113.4Y152 F171 L172Y152-H176 HydrophobicContact CD1-CB 4.1Å; Y152-H176 HydrophobicContact CE1-CB 3.96Å; F171-H176 PolarHBondContact O-CD2 3.29Å; F171-H176 VanDerWaalsContact O-CD2 3.31Å; L172-H176 HydrophobicContact CD1-CB 4.38Å; L172-H176 WeakPolarHBondContact O-CB 3.49Å; L172-H176 PolarHBondContact O-N 3.32Å
177V94.9Very high92.6Very high19 Ų1963 Ų6312%0.11531%0.309CS..Iπ-helixtrans-94.2-45.8-170.8-175.70000113.4C30 M148 Y152 L172C30-V177 HydrophobicContact CB-CG1 4.23Å; M148-V177 HydrophobicContact CE-CG1 3.81Å; M148-V177 HydrophobicContact SD-CG1 4.16Å; M148-V177 HydrophobicContact SD-CG2 4.38Å; Y152-V177 HydrophobicContact CD1-CG2 4.47Å; Y152-V177 HydrophobicContact CD2-CG2 3.98Å; Y152-V177 HydrophobicContact CE1-CG2 4.23Å; Y152-V177 HydrophobicContact CE2-CG2 3.76Å; Y152-V177 HydrophobicContact CG-CG2 4.36Å; L172-V177 HydrophobicContact CD1-CG2 4.03Å; L172-V177 HydrophobicContact CG-CG2 4Å; L172-V177 PolarHBondContact O-N 3.19Å; L172-V177 VanDerWaalsContact O-N 3.13Å
178L95.1Very high92.3Very high10 Ų1059.4 Ų59.45%0.05230%0.299CS..  trans-107.5136.1-165.7-55.9174.6000113.5K26 C27 C173 E182 R183 L186K26-L178 HydrophobicContact CB-CD2 4.07Å; C27-L178 HydrophobicContact CB-CD1 3.92Å; C27-L178 HydrophobicContact CB-CD2 3.88Å; C27-L178 VanDerWaalsContact SG-CD1 3.58Å; C173-L178 HydrophobicContact CB-CD1 3.93Å; C173-L178 HydrophobicContact CB-CG 4.38Å; C173-L178 WeakPolarHBondContact O-CB 3.42Å; C173-L178 VanDerWaalsContact O-CG 3.29Å; C173-L178 WeakPolarHBondContact O-CG 3.47Å; C173-L178 PolarHBondContact O-N 3.41Å; L178-E182 HydrophobicContact CB-CB 4.43Å; L178-E182 HydrophobicContact CD2-CB 4.34Å; L178-R183 HydrophobicContact CB-CG 4.05Å; L178-R183 HydrophobicContact CD1-CG 4.36Å; L178-R183 PolarHBondContact O-NH2 3.34Å; L178-L186 HydrophobicContact CD1-CD1 4Å; L178-L186 HydrophobicContact CD1-CG 4.31Å
179K92.6Very high91.7Very high146 Ų14664.8 Ų64.864%0.63533%0.331SS*.  trans-71.9157.9165.5-61.8175.5-175.7172.50110.3S181 E182 R183K179-S181 PolarHBondContact O-N 3.45Å; K179-S181 VanDerWaalsContact O-N 3.09Å; K179-E182 HydrophobicContact CB-CG 4.33Å; K179-E182 WeakPolarHBondContact CB-OE2 3.4Å; K179-E182 PolarHBondContact N-OE2 3.26Å; K179-E182 VanDerWaalsContact N-OE2 3.11Å; K179-E182 PolarHBondContact O-N 3.18Å; K179-R183 WeakPolarHBondContact O-CG 3.41Å
180T87.6Confident90.5Very high117 Ų11767.9 Ų67.972%0.71834%0.342SS*.G310 helixtrans-53.8-34.3179.5-44.10000113.6E182T180-E182 VanDerWaalsContact C-N 3.27Å; T180-E182 PolarHBondContact O-N 3Å
181S86.8Confident89.4Confident94 Ų9474.1 Ų74.166%0.65737%0.366SS*.G310 helixtrans-75.2-11.1177.856.60000114.5K179K179-S181 PolarHBondContact O-N 3.45Å; K179-S181 VanDerWaalsContact O-N 3.09Å
182E88.8Confident88Confident74 Ų7475 Ų7535%0.34638%0.379SS..G310 helixtrans-1065-174.4-63.6172.6145.200111.9C27 L178 K179 T180C27-E182 WeakPolarHBondContact CB-O 3.48Å; C27-E182 PolarHBondContact SG-O 3.14Å; L178-E182 HydrophobicContact CB-CB 4.43Å; L178-E182 HydrophobicContact CD2-CB 4.34Å; K179-E182 HydrophobicContact CB-CG 4.33Å; K179-E182 WeakPolarHBondContact CB-OE2 3.4Å; K179-E182 PolarHBondContact N-OE2 3.26Å; K179-E182 VanDerWaalsContact N-OE2 3.11Å; K179-E182 PolarHBondContact O-N 3.18Å; T180-E182 VanDerWaalsContact C-N 3.27Å; T180-E182 PolarHBondContact O-N 3Å
183R90.3Very high86.1Confident66 Ų6679 Ų7925%0.24940%0.401CS..  trans-903.2-172.4-63.8176.8-169.7-178.86.8114.6E174 L178 K179 C185 L186E174-R183 VanDerWaalsContact O-CZ 3.3Å; E174-R183 PolarHBondContact O-NH2 2.9Å; E174-R183 IonicContact OE2-NH1 3.26Å; E174-R183 PolarHBondContact OE2-NH1 2.57Å; L178-R183 HydrophobicContact CB-CG 4.05Å; L178-R183 HydrophobicContact CD1-CG 4.36Å; L178-R183 PolarHBondContact O-NH2 3.34Å; K179-R183 WeakPolarHBondContact O-CG 3.41Å; R183-C185 PolarHBondContact O-N 3.26Å; R183-L186 HydrophobicContact CB-CD1 4.49Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-L186 VanDerWaalsContact O-N 3.12Å
184E89.9Confident84.2Confident155 Ų15586 Ų8672%0.72444%0.443SS*.G310 helixtrans-56.1-38.4-175.8-64.2-175.2170.600111.8L186 Q187E184-L186 PolarHBondContact O-N 3.26Å; E184-Q187 PolarHBondContact O-N 2.99Å
185C91.2Very high82.1Confident5 Ų586 Ų863%0.03446%0.456CS..G310 helixtrans-64.5-26-177.489.40000113.9C27 K31 S98 R183 Q187C27-C185 VanDerWaalsContact CA-SG 3.6Å; C27-C185 HydrophobicContact CB-CB 3.89Å; C27-C185 WeakPolarHBondContact CB-SG 3.29Å; C27-C185 PolarHBondContact O-SG 3.15Å; C27-C185 WeakPolarHBondContact SG-CB 3.49Å; C27-C185 CovalentContact SG-SG 2.01Å; C27-C185 PolarHBondContact SG-SG 3.17Å; K31-C185 WeakPolarHBondContact CD-O 3.45Å; K31-C185 PolarHBondContact NZ-O 3.25Å; S98-C185 PolarHBondContact OG-O 3.06Å; R183-C185 PolarHBondContact O-N 3.26Å; C185-Q187 VanDerWaalsContact C-N 3.3Å; C185-Q187 PolarHBondContact O-N 3.02Å
186L91.4Very high79.6Confident16 Ų1689 Ų898%0.08447%0.471CS..G310 helixtrans-73-26.1-177.9-57.4-177000112K31 E169 C173 E174 L178 R183 E184K31-L186 HydrophobicContact CB-CD2 3.89Å; K31-L186 HydrophobicContact CD-CD2 4.48Å; K31-L186 HydrophobicContact CG-CD2 4.22Å; E169-L186 HydrophobicContact CG-CD1 4.44Å; E169-L186 HydrophobicContact CG-CD2 3.8Å; C173-L186 HydrophobicContact CB-CD1 4.24Å; E174-L186 HydrophobicContact CG-CD1 3.72Å; L178-L186 HydrophobicContact CD1-CD1 4Å; L178-L186 HydrophobicContact CD1-CG 4.31Å; R183-L186 HydrophobicContact CB-CD1 4.49Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-L186 VanDerWaalsContact O-N 3.12Å; E184-L186 PolarHBondContact O-N 3.26Å
187Q87.9Confident77Confident143 Ų14395.3 Ų95.367%0.66850%0.497SS*.G310 helixtrans-91.3-4.2-176.4-58.5-59.5-39.300113E184 C185 V189E184-Q187 PolarHBondContact O-N 2.99Å; C185-Q187 VanDerWaalsContact C-N 3.3Å; C185-Q187 PolarHBondContact O-N 3.02Å; Q187-V189 PolarHBondContact O-N 3.09Å
188E86.9Confident74.3Confident59 Ų5998.1 Ų98.128%0.27653%0.53SS..  trans-72.1124.4-177.9-66.2178.8171.200111.5S98 L99S98-E188 WeakPolarHBondContact CA-OE2 3.32Å; S98-E188 VanDerWaalsContact CB-OE2 3.28Å; S98-E188 WeakPolarHBondContact CB-OE2 3.5Å; S98-E188 PolarHBondContact N-OE2 3.03Å; S98-E188 PolarHBondContact OG-OE2 3.41Å; L99-E188 HydrophobicContact CD1-CB 4.05Å; L99-E188 HydrophobicContact CD2-CB 4.18Å; L99-E188 HydrophobicContact CG-CB 3.98Å
189V82.3Confident71.6Confident113 Ų113101.7 Ų101.769%0.68557%0.569SS**  trans-121.1121.8173.9-177.60000109.2Q187 K191Q187-V189 PolarHBondContact O-N 3.09Å; V189-K191 PolarHBondContact O-N 3.15Å
190W71.5Confident68.9Low86 Ų8699.4 Ų99.433%0.32658%0.577SS.*  trans-72.3115.3174.2-174.9-114.9000110.3R95 P96 L99 G192R95-W190 HydrophobicContact CB-CE3 4.42Å; R95-W190 HydrophobicContact CB-CH2 4.28Å; R95-W190 HydrophobicContact CB-CZ3 4.02Å; R95-W190 HydrophobicContact CG-CE3 4.34Å; R95-W190 HydrophobicContact CG-CH2 3.75Å; R95-W190 HydrophobicContact CG-CZ2 4.03Å; R95-W190 HydrophobicContact CG-CZ3 3.93Å; P96-W190 HydrophobicContact CG-CZ3 4.47Å; L99-W190 HydrophobicContact CB-CE3 4.49Å; L99-W190 HydrophobicContact CD1-CB 3.91Å; L99-W190 HydrophobicContact CD1-CE3 3.96Å; L99-W190 HydrophobicContact CD2-CB 4.22Å; W190-G192 VanDerWaalsContact C-N 3.3Å; W190-G192 PolarHBondContact O-N 3.46Å
191K70.9Confident66.4Low200 Ų200102.9 Ų102.987%0.8759%0.585SS**  trans-88.313.1-179.6-71.5-176.5178.1176.70114.4V189V189-K191 PolarHBondContact O-N 3.15Å
192G66.6Low63.7Low35 Ų35107.6 Ų107.636%0.36160%0.597SS.*  trans82.8173.1-177.300000113.3W190 V194W190-G192 VanDerWaalsContact C-N 3.3Å; W190-G192 PolarHBondContact O-N 3.46Å; G192-V194 PolarHBondContact O-N 3.21Å
193D56.6Low60.8Low85 Ų85113 Ų11346%0.45562%0.622SS.*  trans-70115.2-164.1-144.21.3000113Q107 G195Q107-D193 PolarHBondContact NE2-OD2 3.09Å; D193-G195 PolarHBondContact O-N 2.91Å; D193-G195 VanDerWaalsContact O-N 3.15Å
194V55.5Low57.9Low146 Ų146119.3 Ų119.389%0.88565%0.652SS**SBendtrans-83.471.3165.8-84.40000108.8G192G192-V194 PolarHBondContact O-N 3.21Å
195G50Low55.1Low45 Ų45123.4 Ų123.446%0.46466%0.66SS.*SBendtrans151.185.217100000114.3D193D193-G195 PolarHBondContact O-N 2.91Å; D193-G195 VanDerWaalsContact O-N 3.15Å
196L41.3Very low52.3Low168 Ų168128.3 Ų128.388%0.8870%0.701SS**  trans168.858.4142.6-87.2166.4000108.3
197K38.2Very low49.5Very low220 Ų220134 Ų13496%0.95773%0.732SS**  trans-112.381.6157.6-84.2-167.9175.8-176.80107.6
198G39.8Very low46.8Very low78 Ų78137 Ų13780%0.80474%0.743SS**  trans-153.191.117300000108.7
199G38.6Very low44.1Very low84 Ų84142 Ų14287%0.86677%0.766SS**SBendtrans114.670.9167.400000115.5
200A35Very low41.6Very low99 Ų99140.4 Ų140.482%0.81877%0.772SS**  trans-166.565.215000000110
201E34.1Very low39.7Very low190 Ų190142.1 Ų142.189%0.88879%0.793SS**  trans-129.2147.2153.9-75.7-166.6158.500108
202E30.3Very low37.9Very low193 Ų193136.6 Ų136.690%0.90278%0.784SS**  trans80.7108.2-159.9-56.6-174.5157.900112
203E29.6Very low36.3Very low186 Ų186144 Ų14487%0.86981%0.809SS**  cis-147.4128.939.1-66.7172.4134.700111.6
204K29.2Very low35.2Very low200 Ų200147.9 Ų147.987%0.8783%0.83SS**  trans-147.7112.2147.4-76.8-164.2-177.6-178.50108.9
205R30.1Very low34.4Very low241 Ų241145.5 Ų145.591%0.90983%0.825SS**  trans162.490.9135.4-87.7159.5-173.5-115.14.6109.9
206A32Very low33.4Very low107 Ų107146.6 Ų146.688%0.88484%0.837SS**  trans-93.3111.5143.800000105.9
207D32.8Very low33.1Very low137 Ų137147.5 Ų147.573%0.73384%0.836SS**  trans-67.9139.5-172.7-152.5-7.6000111.3
208K31.6Very low32.8Very low206 Ų206148.8 Ų148.890%0.89685%0.852SS**  trans-98.292.5165.6-82.3-171.2176.5-176.90106.3
209E30.8Very low32.5Very low162 Ų162152.3 Ų152.376%0.75786%0.855SS**  trans-96.498.3165.9-161167.6-16600108.9
210G29.5Very low32.1Very low80 Ų80155.9 Ų155.983%0.82585%0.854SS**  trans-80.5116.2162.900000108.8
211T31.1Very low32Very low123 Ų123159.1 Ų159.176%0.75586%0.856SS**  trans-110.8119.1162.3-60.40000107.8
212A32.8Very low31.9Very low83 Ų83157.2 Ų157.269%0.68685%0.854SS**  trans-89.3130.5172.500000110.2
213H33.4Very low32Very low191 Ų191155 Ų15588%0.88485%0.851SS**  trans38.1123.8146.7-69.8-82.2000121
214D33.6Very low32.1Very low167 Ų167152.9 Ų152.989%0.89385%0.85SS**  -146.9151.9123.7-144.9-10.6000111.8
215A38.2Very low32.3Very low95 Ų95149.6 Ų149.679%0.78585%0.849SS**  trans-92.3161.7-170.500000113.4
216G29.8Very low32.5Very low69 Ų69142.5 Ų142.571%0.71184%0.844SS**  trans149.4108.415500000117.9
217E34Very low32.5Very low187 Ų187145.5 Ų145.587%0.87484%0.841SS**  trans60.3105.4140.4-57.8-169.9118.600121.3
218L32.8Very low32.5Very low246 Ų246146.3 Ų146.3100%1.28885%0.85SS**  176.2098.1-91.8167.7000110.8

Retrieved 218 of 218 residues in 460 ms (Link to these results)

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