A0A060D3X7_MAIZE Loading...

MYB transcription factor

AlphaFold DB (K7UP12), UniProt , Accession A0A060D3X7, Species MAIZE (Zea mays, Maize), Gene MYB67, Length 288 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M52.2Low65Low248 Ų248127.9 Ų127.9100%1.22271%0.708SS**  0108.50-74.1-177.3-100.400108.9
2G64Low66.2Low80 Ų80120.3 Ų120.383%0.82567%0.668SS**PPolyproline II helixtrans-71.9144.7-179.800000111.8S4G2-S4 PolarHBondContact O-N 3.44Å
3R71.6Confident67.6Low230 Ų230117.1 Ų117.187%0.86865%0.648SS**PPolyproline II helixtrans-66128174.2-69.8-175.8178.9-144.4-1.3108.9
4S65.5Low68.8Low94 Ų94121.5 Ų121.566%0.65766%0.658SS**PPolyproline II helixtrans-61.3142.717449.90000110.7G2 C6G2-S4 PolarHBondContact O-N 3.44Å; S4-C6 PolarHBondContact O-N 3.19Å
5P70.7Confident70.3Confident106 Ų106116.7 Ų116.769%0.68865%0.648SS**PPolyproline II helixtrans-53.6132.2171.7-24.934.1000110.6C7P5-C7 PolarHBondContact O-N 3.41Å; P5-C7 VanDerWaalsContact O-N 3.13Å
6C65.6Low71.8Confident68 Ų68115.2 Ų115.246%0.45966%0.655SS.*SBendtrans-67.6-12-175.3-173.30000113.8S4S4-C6 PolarHBondContact O-N 3.19Å
7C68.4Low73.3Confident41 Ų41111 Ų11128%0.27763%0.627SS.*  trans-136.9115.3-175.5-47.50000107.3P5 Q9 C49P5-C7 PolarHBondContact O-N 3.41Å; P5-C7 VanDerWaalsContact O-N 3.13Å; C7-Q9 PolarHBondContact O-N 2.97Å; C7-Q9 PolarHBondContact O-OE1 3.33Å; C7-C49 HydrophobicContact CB-CB 4.05Å; C7-C49 WeakPolarHBondContact SG-CB 3.45Å
8E63.2Low74.7Confident171 Ų171108.2 Ų108.280%0.79961%0.612SS**  trans-74.2111.1160.8-73.5172.3-170.200106.6A10E8-A10 PolarHBondContact O-N 3.04Å; E8-A10 VanDerWaalsContact O-N 3.08Å
9Q61.9Low75.9Confident141 Ų141110.8 Ų110.866%0.65962%0.616SS**THydrogen-bonded Turntrans-62.5-17-168.5-82.979.2-3.200114.5C7 H11C7-Q9 PolarHBondContact O-N 2.97Å; C7-Q9 PolarHBondContact O-OE1 3.33Å; Q9-H11 PolarHBondContact O-N 2.57Å
10A62.9Low77Confident76 Ų76110.6 Ų110.663%0.62861%0.61SS**THydrogen-bonded Turntrans-72.3-31.2-165.100000114.7E8E8-A10 PolarHBondContact O-N 3.04Å; E8-A10 VanDerWaalsContact O-N 3.08Å
11H69.1Low78Confident152 Ų152105.5 Ų105.570%0.70458%0.582SS**SBendtrans-141.628.8-169.5-53.6-57.8000114.7Q9Q9-H11 PolarHBondContact O-N 2.57Å
12T79.9Confident80.1Confident37 Ų3794.7 Ų94.723%0.22753%0.529CS..  trans-102.6126.4178.451.70000112.1K14 L47T12-K14 PolarHBondContact O-N 2.74Å; T12-L47 CarbonylContact C-O 3.57Å; T12-L47 WeakPolarHBondContact CA-O 3.44Å
13N83.5Confident81.8Confident78 Ų7897 Ų9742%0.41752%0.519SS..  trans-66.4123.9175.9-69.4-18.8000110.2E21 L47 R48N13-E21 PolarHBondContact ND2-OE1 3.44Å; N13-L47 PolarHBondContact N-O 3.12Å; N13-R48 WeakPolarHBondContact O-CD 3.46Å; N13-R48 PolarHBondContact O-NE 2.87Å; N13-R48 PolarHBondContact O-NH1 2.87Å
14K84.7Confident83Confident179 Ų17991 Ų9178%0.77850%0.496SS*.  trans-102.7-7.2177.3-61.5177-173.8174.10113.5T12T12-K14 PolarHBondContact O-N 2.74Å
15G91.4Very high84.6Confident50 Ų5086.5 Ų86.552%0.51547%0.465SS..SBendtrans-76.6-173.9-178.300000114.1R48G15-R48 PolarHBondContact O-NH1 3.12Å; G15-R48 PolarHBondContact O-NH2 3.39Å
16A94.8Very high85.9Confident92 Ų9283.1 Ų83.176%0.7644%0.442SS*.PPolyproline II helixtrans-53.9147.8173.900000111.5R48A16-R48 PolarHBondContact O-NH2 2.92Å
17W97.2Very high87.4Confident44 Ų4482.6 Ų82.617%0.16744%0.443CS..PPolyproline II helixtrans-73.4130.1174.8-81.481.5000110.1E21 L25 L46 R48 S52 C53 R56W17-E21 HydrophobicContact CE3-CB 3.61Å; W17-E21 HydrophobicContact CZ3-CB 3.88Å; W17-L25 HydrophobicContact CH2-CD2 3.86Å; W17-L25 HydrophobicContact CZ3-CD2 3.97Å; W17-L46 HydrophobicContact CZ3-CD1 4.45Å; W17-L46 HydrophobicContact CZ3-CD2 4.43Å; W17-R48 HydrophobicContact CH2-CB 4.2Å; W17-R48 HydrophobicContact CH2-CG 3.81Å; W17-R48 HydrophobicContact CZ2-CB 4.33Å; W17-R48 HydrophobicContact CZ2-CG 3.97Å; W17-R48 HydrophobicContact CZ3-CG 4.31Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.27Å; W17-S52 PolarHBondContact NE1-OG 2.85Å; W17-C53 HydrophobicContact CH2-CB 4.4Å; W17-R56 HydrophobicContact CD2-CB 4.13Å; W17-R56 HydrophobicContact CD2-CG 3.6Å; W17-R56 HydrophobicContact CE3-CG 3.92Å; W17-R56 HydrophobicContact CG-CG 3.96Å; W17-R56 HydrophobicContact CH2-CB 4.21Å; W17-R56 HydrophobicContact CH2-CG 4.32Å; W17-R56 HydrophobicContact CZ2-CB 3.65Å; W17-R56 HydrophobicContact CZ2-CG 4.02Å; W17-R56 HydrophobicContact CZ3-CG 4.28Å
18T97.2Very high88.8Confident60 Ų6083 Ų8337%0.36844%0.439SS..PPolyproline II helixtrans-85.6160.5172.986.20000111E20 E21 D22T18-E20 WeakPolarHBondContact CB-OE2 3.44Å; T18-E20 PolarHBondContact O-N 2.81Å; T18-E20 PolarHBondContact OG1-N 3.35Å; T18-E20 PolarHBondContact OG1-OE2 2.79Å; T18-E21 PolarHBondContact N-OE2 2.88Å; T18-E21 PolarHBondContact O-N 3.36Å; T18-E21 PolarHBondContact OG1-N 3.32Å; T18-D22 PolarHBondContact O-N 2.85Å
19K97.5Very high90.5Very high159 Ų15975.4 Ų75.469%0.69140%0.403SS*.Hα-helixtrans-62.2-34.2177.4-70.1-176.3179.7178.60111.5D22 Q23K19-D22 PolarHBondContact O-N 3.24Å; K19-Q23 WeakPolarHBondContact O-CB 3.33Å; K19-Q23 VanDerWaalsContact O-CG 3.22Å; K19-Q23 WeakPolarHBondContact O-CG 3.3Å; K19-Q23 PolarHBondContact O-N 3.44Å
20E97.8Very high92.2Very high106 Ų10676.8 Ų76.850%0.49541%0.407SS..Hα-helixtrans-70.8-34.5178.9-55.168.4-143.500111.5T18 R24T18-E20 WeakPolarHBondContact CB-OE2 3.44Å; T18-E20 PolarHBondContact O-N 2.81Å; T18-E20 PolarHBondContact OG1-N 3.35Å; T18-E20 PolarHBondContact OG1-OE2 2.79Å; E20-R24 WeakPolarHBondContact O-CG 3.47Å; E20-R24 PolarHBondContact O-N 3.32Å; E20-R24 PolarHBondContact O-NE 2.96Å
21E98Very high93.8Very high4 Ų476.8 Ų76.82%0.01941%0.407CS..Hα-helixtrans-67.7-45.5170.7-69.3179.2123.700111.1N13 W17 T18 Q23 R24 L25 L46 R48N13-E21 PolarHBondContact ND2-OE1 3.44Å; W17-E21 HydrophobicContact CE3-CB 3.61Å; W17-E21 HydrophobicContact CZ3-CB 3.88Å; T18-E21 PolarHBondContact N-OE2 2.88Å; T18-E21 PolarHBondContact O-N 3.36Å; T18-E21 PolarHBondContact OG1-N 3.32Å; E21-Q23 VanDerWaalsContact C-N 3.33Å; E21-Q23 PolarHBondContact O-N 3.03Å; E21-R24 PolarHBondContact O-N 2.73Å; E21-L25 PolarHBondContact O-N 3.47Å; E21-L46 HydrophobicContact CB-CD2 3.89Å; E21-L46 HydrophobicContact CG-CD2 4.12Å; E21-R48 IonicContact OE1-CZ 2.65Å; E21-R48 IonicContact OE1-NE 2.75Å; E21-R48 PolarHBondContact OE1-NE 3.27Å; E21-R48 IonicContact OE1-NH2 3.54Å; E21-R48 PolarHBondContact OE1-NH2 2.9Å; E21-R48 IonicContact OE2-CZ 2.8Å; E21-R48 IonicContact OE2-NE 3.12Å; E21-R48 IonicContact OE2-NH2 2.77Å; E21-R48 PolarHBondContact OE2-NH2 2.95Å
22D98.2Very high95.2Very high21 Ų2175.5 Ų75.511%0.11240%0.401CS..Hα-helixtrans-59.5-44.2176.7-73.5-21.6000111.5T18 K19 R24 L25 V26 R56 L61T18-D22 PolarHBondContact O-N 2.85Å; K19-D22 PolarHBondContact O-N 3.24Å; D22-R24 PolarHBondContact O-N 3.15Å; D22-L25 PolarHBondContact O-N 3.26Å; D22-V26 WeakPolarHBondContact O-CB 3.36Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.45Å; D22-R56 IonicContact OD1-CZ 3.24Å; D22-R56 IonicContact OD1-NE 3.44Å; D22-R56 PolarHBondContact OD1-NE 3.36Å; D22-R56 IonicContact OD1-NH2 3.6Å; D22-R56 PolarHBondContact OD1-NH2 3.44Å; D22-R56 IonicContact OD2-CZ 2.71Å; D22-R56 IonicContact OD2-NE 2.79Å; D22-R56 IonicContact OD2-NH2 3.55Å; D22-R56 PolarHBondContact OD2-NH2 2.99Å; D22-L61 HydrophobicContact CB-CD1 3.99Å; D22-L61 HydrophobicContact CB-CD2 3.86Å
23Q98.2Very high96Very high129 Ų12975.4 Ų75.460%0.60341%0.407SS*.Hα-helixtrans-60.3-44.8177.2-77170.2400112.2K19 E21 L25 V26 A27K19-Q23 WeakPolarHBondContact O-CB 3.33Å; K19-Q23 VanDerWaalsContact O-CG 3.22Å; K19-Q23 WeakPolarHBondContact O-CG 3.3Å; K19-Q23 PolarHBondContact O-N 3.44Å; E21-Q23 VanDerWaalsContact C-N 3.33Å; E21-Q23 PolarHBondContact O-N 3.03Å; Q23-L25 PolarHBondContact O-N 2.95Å; Q23-V26 PolarHBondContact O-N 2.9Å; Q23-A27 WeakPolarHBondContact O-CB 3.44Å; Q23-A27 PolarHBondContact O-N 3.34Å
24R97.9Very high96.5Very high103 Ų10375.5 Ų75.539%0.38941%0.405SS..Hα-helixtrans-60.6-44.4175.3-80.9-179.1-78.5176.9-10.1111.9E20 E21 D22 Y28 G45 L46E20-R24 WeakPolarHBondContact O-CG 3.47Å; E20-R24 PolarHBondContact O-N 3.32Å; E20-R24 PolarHBondContact O-NE 2.96Å; E21-R24 PolarHBondContact O-N 2.73Å; D22-R24 PolarHBondContact O-N 3.15Å; R24-Y28 WeakPolarHBondContact O-CB 3.41Å; R24-Y28 PolarHBondContact O-N 3.44Å; R24-G45 PolarHBondContact NH1-O 3.26Å; R24-L46 HydrophobicContact CB-CD2 3.94Å; R24-L46 HydrophobicContact CB-CG 4.26Å
25L98.2Very high96.8Very high0 Ų070.1 Ų70.10%040%0.4CS..Hα-helixtrans-61.6-48.7177.7-178.453.1000111.6W17 E21 D22 Q23 Y28 I29 W37 L40 L46 C53 R56 W57 L61W17-L25 HydrophobicContact CH2-CD2 3.86Å; W17-L25 HydrophobicContact CZ3-CD2 3.97Å; E21-L25 PolarHBondContact O-N 3.47Å; D22-L25 PolarHBondContact O-N 3.26Å; Q23-L25 PolarHBondContact O-N 2.95Å; L25-Y28 PolarHBondContact O-N 2.96Å; L25-I29 HydrophobicContact CD1-CD1 3.64Å; L25-I29 HydrophobicContact CD1-CG1 4.28Å; L25-I29 HydrophobicContact CG-CD1 4.07Å; L25-I29 WeakPolarHBondContact O-CG1 3.5Å; L25-I29 PolarHBondContact O-N 2.89Å; L25-W37 HydrophobicContact CD1-CZ3 4.49Å; L25-L40 HydrophobicContact CD1-CD2 3.45Å; L25-L40 VanDerWaalsContact CD1-CD2 3.45Å; L25-L46 HydrophobicContact CB-CD1 3.88Å; L25-L46 HydrophobicContact CD1-CD1 4.18Å; L25-C53 HydrophobicContact CD1-CB 4.08Å; L25-C53 HydrophobicContact CD2-CB 4.31Å; L25-R56 HydrophobicContact CD2-CB 4.19Å; L25-R56 HydrophobicContact CD2-CG 4.19Å; L25-W57 HydrophobicContact CD2-CB 4.47Å; L25-L61 HydrophobicContact CB-CD1 4.35Å; L25-L61 HydrophobicContact CD2-CD1 3.74Å; L25-L61 HydrophobicContact CG-CD1 4.2Å
26V98.2Very high96.9Very high34 Ų3470.8 Ų70.821%0.20640%0.397CS..Hα-helixtrans-62.2-47.5178.5173.10000111D22 Q23 Y28 I29 K30 W57 L61D22-V26 WeakPolarHBondContact O-CB 3.36Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.45Å; Q23-V26 PolarHBondContact O-N 2.9Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3.44Å; V26-I29 PolarHBondContact O-N 3.16Å; V26-K30 HydrophobicContact CG1-CD 3.95Å; V26-K30 HydrophobicContact CG1-CG 4.28Å; V26-K30 WeakPolarHBondContact O-CB 3.41Å; V26-K30 WeakPolarHBondContact O-CG 3.17Å; V26-K30 PolarHBondContact O-N 3.03Å; V26-W57 HydrophobicContact CB-CZ3 4.34Å; V26-W57 HydrophobicContact CG2-CZ3 3.9Å; V26-L61 HydrophobicContact CG2-CB 4.13Å; V26-L61 HydrophobicContact CG2-CD1 4.12Å
27A97.9Very high97Very high58 Ų5868.2 Ų68.248%0.47937%0.367SS..Hα-helixtrans-60.9-44.7-179.300000111.3Q23 K30 A31Q23-A27 WeakPolarHBondContact O-CB 3.44Å; Q23-A27 PolarHBondContact O-N 3.34Å; A27-K30 PolarHBondContact O-N 3.23Å; A27-A31 WeakPolarHBondContact O-CB 3.15Å; A27-A31 PolarHBondContact O-N 2.76Å; A27-A31 VanDerWaalsContact O-N 3.09Å
28Y98.2Very high96.7Very high50 Ų5074.3 Ų74.320%0.19639%0.39CS..Hα-helixtrans-60.9-48.5177.3-176.3-86.5000112R24 L25 V26 A31 H32 L40 A43 A44R24-Y28 WeakPolarHBondContact O-CB 3.41Å; R24-Y28 PolarHBondContact O-N 3.44Å; L25-Y28 PolarHBondContact O-N 2.96Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3.44Å; Y28-A31 PolarHBondContact O-N 3.15Å; Y28-H32 AromaticContact CD2-ND1 3.69Å; Y28-H32 HydrophobicContact CE1-CB 4.12Å; Y28-H32 AromaticContact CE2-ND1 3.71Å; Y28-H32 PolarHBondContact O-N 3.14Å; Y28-H32 PolarHBondContact O-ND1 3.02Å; Y28-L40 HydrophobicContact CD1-CD1 3.93Å; Y28-L40 HydrophobicContact CD1-CD2 4.38Å; Y28-L40 HydrophobicContact CD1-CG 3.71Å; Y28-L40 HydrophobicContact CE1-CB 4.38Å; Y28-L40 HydrophobicContact CE1-CD1 3.95Å; Y28-L40 HydrophobicContact CE1-CG 3.66Å; Y28-A43 HydrophobicContact CD2-CB 4.44Å; Y28-A43 HydrophobicContact CE2-CB 3.42Å; Y28-A43 VanDerWaalsContact CE2-CB 3.42Å; Y28-A43 VanDerWaalsContact OH-CB 3.27Å; Y28-A43 WeakPolarHBondContact OH-CB 3.42Å; Y28-A44 HydrophobicContact CD1-CB 4.33Å; Y28-A44 HydrophobicContact CD2-CB 3.8Å; Y28-A44 HydrophobicContact CG-CB 3.64Å
29I97.9Very high96.5Very high11 Ų1174.6 Ų74.66%0.05640%0.395CS..Hα-helixtrans-67.3-36.9-178.8-68.1170.8000111.5L25 V26 A31 G33 E34 W37 L40 W57L25-I29 HydrophobicContact CD1-CD1 3.64Å; L25-I29 HydrophobicContact CD1-CG1 4.28Å; L25-I29 HydrophobicContact CG-CD1 4.07Å; L25-I29 WeakPolarHBondContact O-CG1 3.5Å; L25-I29 PolarHBondContact O-N 2.89Å; V26-I29 PolarHBondContact O-N 3.16Å; I29-A31 VanDerWaalsContact C-N 3.29Å; I29-A31 PolarHBondContact O-N 2.9Å; I29-G33 WeakPolarHBondContact O-CA 3.44Å; I29-G33 PolarHBondContact O-N 3.17Å; I29-E34 HydrophobicContact CG2-CG 4.06Å; I29-W37 HydrophobicContact CD1-CH2 3.78Å; I29-W37 HydrophobicContact CD1-CZ3 4.1Å; I29-L40 HydrophobicContact CD1-CD1 4.25Å; I29-L40 HydrophobicContact CG1-CD1 3.91Å; I29-W57 HydrophobicContact CB-CH2 4.18Å; I29-W57 HydrophobicContact CB-CZ2 4.34Å; I29-W57 HydrophobicContact CB-CZ3 4.33Å; I29-W57 HydrophobicContact CD1-CB 4.23Å; I29-W57 HydrophobicContact CD1-CD2 3.38Å; I29-W57 HydrophobicContact CD1-CE3 3.49Å; I29-W57 VanDerWaalsContact CD1-CE3 3.49Å; I29-W57 HydrophobicContact CD1-CG 3.72Å; I29-W57 HydrophobicContact CD1-CH2 4.41Å; I29-W57 HydrophobicContact CD1-CZ2 4.33Å; I29-W57 HydrophobicContact CD1-CZ3 4.02Å; I29-W57 HydrophobicContact CG2-CH2 3.76Å; I29-W57 HydrophobicContact CG2-CZ2 3.5Å; I29-W57 HydrophobicContact CG2-CZ3 4.35Å
30K97.4Very high96.4Very high170 Ų17067.1 Ų67.174%0.73936%0.362SS*.Hα-helixtrans-62.2-37.2174-77.8-177.2175.8-174.40112.4V26 A27V26-K30 HydrophobicContact CG1-CD 3.95Å; V26-K30 HydrophobicContact CG1-CG 4.28Å; V26-K30 WeakPolarHBondContact O-CB 3.41Å; V26-K30 WeakPolarHBondContact O-CG 3.17Å; V26-K30 PolarHBondContact O-N 3.03Å; A27-K30 PolarHBondContact O-N 3.23Å
31A97.5Very high96.2Very high75 Ų7562.2 Ų62.262%0.6234%0.34SS*.Hα-helixtrans-81.8-32.4-178.400000113.8A27 Y28 I29A27-A31 WeakPolarHBondContact O-CB 3.15Å; A27-A31 PolarHBondContact O-N 2.76Å; A27-A31 VanDerWaalsContact O-N 3.09Å; Y28-A31 PolarHBondContact O-N 3.15Å; I29-A31 VanDerWaalsContact C-N 3.29Å; I29-A31 PolarHBondContact O-N 2.9Å
32H97.1Very high96Very high125 Ų12571 Ų7158%0.57938%0.378SS*.Hα-helixtrans-124.7-4.6-169.6-51.787.6000114.5Y28Y28-H32 AromaticContact CD2-ND1 3.69Å; Y28-H32 HydrophobicContact CE1-CB 4.12Å; Y28-H32 AromaticContact CE2-ND1 3.71Å; Y28-H32 PolarHBondContact O-N 3.14Å; Y28-H32 PolarHBondContact O-ND1 3.02Å
33G96.3Very high95.9Very high35 Ų3572.9 Ų72.936%0.36140%0.396SS..  trans74.3-178.7-16600000113.1I29I29-G33 WeakPolarHBondContact O-CA 3.44Å; I29-G33 PolarHBondContact O-N 3.17Å
34E94.3Very high95.7Very high81 Ų8167.4 Ų67.438%0.37937%0.373SS..SBendtrans-69.6-33.4-178.9-63.5-174.1-177.700112.7I29 W37 L40 W57I29-E34 HydrophobicContact CG2-CG 4.06Å; E34-W37 HydrophobicContact CB-CH2 4.44Å; E34-W37 HydrophobicContact CB-CZ2 3.85Å; E34-W37 HydrophobicContact CG-CH2 4.43Å; E34-W37 HydrophobicContact CG-CZ2 3.99Å; E34-L40 VanDerWaalsContact O-CD1 3.24Å; E34-L40 WeakPolarHBondContact O-CD1 3.36Å; E34-W57 PolarHBondContact OE1-NE1 3.4Å
35G91.8Very high95.6Very high65 Ų6564.7 Ų64.767%0.6738%0.377SS*.  trans48.9-142.4175.900000114.2
36C94.3Very high95.4Very high65 Ų6565 Ų6544%0.43938%0.379SS..  trans-90.2110.4178.1-176.20000111.1R38 S39 L40C36-R38 PolarHBondContact O-N 3.32Å; C36-S39 PolarHBondContact O-N 2.94Å; C36-S39 VanDerWaalsContact O-N 3.09Å; C36-S39 PolarHBondContact O-OG 2.97Å; C36-L40 WeakPolarHBondContact O-CB 3.35Å; C36-L40 PolarHBondContact O-N 3.09Å
37W95.4Very high95.2Very high37 Ų3768.3 Ų68.314%0.1439%0.394CS..THydrogen-bonded Turntrans-55.7-24.5178-67.5104.4000114.6L25 I29 E34 L40 P41 G50 C53 R54 W57L25-W37 HydrophobicContact CD1-CZ3 4.49Å; I29-W37 HydrophobicContact CD1-CH2 3.78Å; I29-W37 HydrophobicContact CD1-CZ3 4.1Å; E34-W37 HydrophobicContact CB-CH2 4.44Å; E34-W37 HydrophobicContact CB-CZ2 3.85Å; E34-W37 HydrophobicContact CG-CH2 4.43Å; E34-W37 HydrophobicContact CG-CZ2 3.99Å; W37-L40 HydrophobicContact CE3-CD1 3.91Å; W37-L40 HydrophobicContact CH2-CD1 4.44Å; W37-L40 HydrophobicContact CZ3-CD1 3.77Å; W37-L40 HydrophobicContact CZ3-CD2 4.41Å; W37-P41 VanDerWaalsContact O-CD 3.24Å; W37-P41 WeakPolarHBondContact O-CD 3.46Å; W37-G50 WeakPolarHBondContact O-CA 3.22Å; W37-C53 HydrophobicContact CE3-CB 4.14Å; W37-C53 HydrophobicContact CZ3-CB 4.14Å; W37-R54 HydrophobicContact CB-CB 4.43Å; W37-R54 HydrophobicContact CD2-CB 3.45Å; W37-R54 VanDerWaalsContact CD2-CB 3.45Å; W37-R54 HydrophobicContact CD2-CG 3.77Å; W37-R54 VanDerWaalsContact CE3-CA 3.43Å; W37-R54 HydrophobicContact CE3-CB 3.64Å; W37-R54 HydrophobicContact CE3-CG 4.36Å; W37-R54 HydrophobicContact CG-CB 3.81Å; W37-R54 HydrophobicContact CG-CG 4.05Å; W37-R54 HydrophobicContact CH2-CB 4.46Å; W37-R54 HydrophobicContact CZ2-CB 4.29Å; W37-R54 HydrophobicContact CZ2-CG 4.02Å; W37-R54 VanDerWaalsContact CZ3-CA 3.46Å; W37-R54 HydrophobicContact CZ3-CB 4.15Å; W37-W57 HydrophobicContact CH2-CB 3.57Å; W37-W57 AromaticContact CH2-CD1 3.59Å; W37-W57 AromaticContact CH2-CG 3.69Å; W37-W57 HydrophobicContact CH2-CG 3.69Å; W37-W57 HydrophobicContact CZ2-CB 4.48Å; W37-W57 AromaticContact CZ2-CD1 3.89Å; W37-W57 HydrophobicContact CZ2-CG 4.41Å; W37-W57 HydrophobicContact CZ3-CB 4.17Å
38R92.2Very high95.1Very high172 Ų17266.2 Ų66.265%0.64937%0.374SS*.THydrogen-bonded Turntrans-69.9-39.5177.5-77-177.9-85.3-96.30113C36C36-R38 PolarHBondContact O-N 3.32Å
39S92.5Very high94.9Very high67 Ų6765.1 Ų65.147%0.46937%0.373SS..THydrogen-bonded Turntrans-92.7-23-179.154.50000113.1C36 P41 K42 A43C36-S39 PolarHBondContact O-N 2.94Å; C36-S39 VanDerWaalsContact O-N 3.09Å; C36-S39 PolarHBondContact O-OG 2.97Å; S39-P41 VanDerWaalsContact C-CD 3.46Å; S39-K42 PolarHBondContact O-N 3.46Å; S39-A43 PolarHBondContact O-N 3.39Å; S39-A43 VanDerWaalsContact O-N 3.16Å
40L95.2Very high94.7Very high1 Ų164.8 Ų64.81%0.00537%0.373CS..Hα-helixtrans-49.8-47.7-177.1-176.1153.6000114L25 Y28 I29 E34 C36 W37 K42 A43 A44 C53L25-L40 HydrophobicContact CD1-CD2 3.45Å; L25-L40 VanDerWaalsContact CD1-CD2 3.45Å; Y28-L40 HydrophobicContact CD1-CD1 3.93Å; Y28-L40 HydrophobicContact CD1-CD2 4.38Å; Y28-L40 HydrophobicContact CD1-CG 3.71Å; Y28-L40 HydrophobicContact CE1-CB 4.38Å; Y28-L40 HydrophobicContact CE1-CD1 3.95Å; Y28-L40 HydrophobicContact CE1-CG 3.66Å; I29-L40 HydrophobicContact CD1-CD1 4.25Å; I29-L40 HydrophobicContact CG1-CD1 3.91Å; E34-L40 VanDerWaalsContact O-CD1 3.24Å; E34-L40 WeakPolarHBondContact O-CD1 3.36Å; C36-L40 WeakPolarHBondContact O-CB 3.35Å; C36-L40 PolarHBondContact O-N 3.09Å; W37-L40 HydrophobicContact CE3-CD1 3.91Å; W37-L40 HydrophobicContact CH2-CD1 4.44Å; W37-L40 HydrophobicContact CZ3-CD1 3.77Å; W37-L40 HydrophobicContact CZ3-CD2 4.41Å; L40-K42 PolarHBondContact O-N 3.31Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-A44 HydrophobicContact CD2-CB 4.33Å; L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.46Å; L40-A44 PolarHBondContact O-N 2.79Å; L40-C53 HydrophobicContact CD2-CB 4.09Å
41P94.4Very high94.5Very high4 Ų464.3 Ų64.33%0.02637%0.37CS..Hα-helixtrans-61.5-43.5-175.1-18.326.8000112.7W37 S39 A44 G45 L46 R48 C53W37-P41 VanDerWaalsContact O-CD 3.24Å; W37-P41 WeakPolarHBondContact O-CD 3.46Å; S39-P41 VanDerWaalsContact C-CD 3.46Å; P41-A44 PolarHBondContact O-N 3.41Å; P41-G45 PolarHBondContact O-N 3.11Å; P41-L46 HydrophobicContact CB-CB 4.36Å; P41-L46 PolarHBondContact O-N 3.1Å; P41-R48 WeakPolarHBondContact CB-O 3.32Å; P41-R48 WeakPolarHBondContact CG-O 3.09Å; P41-C53 HydrophobicContact CG-CB 4.47Å
42K93.3Very high94.3Very high189 Ų18962 Ų6282%0.82235%0.35SS*.Hα-helixtrans-63.6-44.1177.7-175.1175.8-179.5176.20111S39 L40 A44 G45S39-K42 PolarHBondContact O-N 3.46Å; L40-K42 PolarHBondContact O-N 3.31Å; K42-A44 VanDerWaalsContact C-N 3.34Å; K42-G45 PolarHBondContact O-N 3.08Å
43A94.6Very high94.3Very high59 Ų5956 Ų5649%0.48832%0.322SS..Hα-helixtrans-68.2-32.7179.900000112.9Y28 S39 L40 G45Y28-A43 HydrophobicContact CD2-CB 4.44Å; Y28-A43 HydrophobicContact CE2-CB 3.42Å; Y28-A43 VanDerWaalsContact CE2-CB 3.42Å; Y28-A43 VanDerWaalsContact OH-CB 3.27Å; Y28-A43 WeakPolarHBondContact OH-CB 3.42Å; S39-A43 PolarHBondContact O-N 3.39Å; S39-A43 VanDerWaalsContact O-N 3.16Å; L40-A43 PolarHBondContact O-N 3.01Å; A43-G45 VanDerWaalsContact C-N 3.26Å; A43-G45 PolarHBondContact O-N 3.47Å
44A95.6Very high94.4Very high14 Ų1461 Ų6112%0.11633%0.33CS..THydrogen-bonded Turntrans-80.9-0.2174.800000113.8Y28 L40 P41 K42 L46Y28-A44 HydrophobicContact CD1-CB 4.33Å; Y28-A44 HydrophobicContact CD2-CB 3.8Å; Y28-A44 HydrophobicContact CG-CB 3.64Å; L40-A44 HydrophobicContact CD2-CB 4.33Å; L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.46Å; L40-A44 PolarHBondContact O-N 2.79Å; P41-A44 PolarHBondContact O-N 3.41Å; K42-A44 VanDerWaalsContact C-N 3.34Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 HydrophobicContact CB-CD1 3.85Å; A44-L46 HydrophobicContact CB-CG 4.1Å; A44-L46 PolarHBondContact O-N 2.9Å
45G94.9Very high94.5Very high46 Ų4661.9 Ų61.947%0.47434%0.337SS..THydrogen-bonded Turntrans64.133.5-175.300000113.3R24 P41 K42 A43R24-G45 PolarHBondContact NH1-O 3.26Å; P41-G45 PolarHBondContact O-N 3.11Å; K42-G45 PolarHBondContact O-N 3.08Å; A43-G45 VanDerWaalsContact C-N 3.26Å; A43-G45 PolarHBondContact O-N 3.47Å
46L95.1Very high94.8Very high8 Ų861.1 Ų61.14%0.04231%0.314CS..  trans-102.9132.9179.6-71.9167.3000111.3W17 E21 R24 L25 P41 A44 R48W17-L46 HydrophobicContact CZ3-CD1 4.45Å; W17-L46 HydrophobicContact CZ3-CD2 4.43Å; E21-L46 HydrophobicContact CB-CD2 3.89Å; E21-L46 HydrophobicContact CG-CD2 4.12Å; R24-L46 HydrophobicContact CB-CD2 3.94Å; R24-L46 HydrophobicContact CB-CG 4.26Å; L25-L46 HydrophobicContact CB-CD1 3.88Å; L25-L46 HydrophobicContact CD1-CD1 4.18Å; P41-L46 HydrophobicContact CB-CB 4.36Å; P41-L46 PolarHBondContact O-N 3.1Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 HydrophobicContact CB-CD1 3.85Å; A44-L46 HydrophobicContact CB-CG 4.1Å; A44-L46 PolarHBondContact O-N 2.9Å; L46-R48 HydrophobicContact CB-CB 4.46Å; L46-R48 PolarHBondContact O-N 3.11Å
47L94Very high95Very high102 Ų10258.8 Ų58.853%0.53430%0.296SS..SBendtrans-84.452.4171.6-60.9-178.7000110.8T12 N13T12-L47 CarbonylContact C-O 3.57Å; T12-L47 WeakPolarHBondContact CA-O 3.44Å; N13-L47 PolarHBondContact N-O 3.12Å
48R94.5Very high95Very high15 Ų1559.2 Ų59.26%0.05730%0.301CS..SBendtrans-132.6159.4-178-63.9-66.4-175.6150.54109.7N13 G15 A16 W17 E21 P41 L46N13-R48 WeakPolarHBondContact O-CD 3.46Å; N13-R48 PolarHBondContact O-NE 2.87Å; N13-R48 PolarHBondContact O-NH1 2.87Å; G15-R48 PolarHBondContact O-NH1 3.12Å; G15-R48 PolarHBondContact O-NH2 3.39Å; A16-R48 PolarHBondContact O-NH2 2.92Å; W17-R48 HydrophobicContact CH2-CB 4.2Å; W17-R48 HydrophobicContact CH2-CG 3.81Å; W17-R48 HydrophobicContact CZ2-CB 4.33Å; W17-R48 HydrophobicContact CZ2-CG 3.97Å; W17-R48 HydrophobicContact CZ3-CG 4.31Å; E21-R48 IonicContact OE1-CZ 2.65Å; E21-R48 IonicContact OE1-NE 2.75Å; E21-R48 PolarHBondContact OE1-NE 3.27Å; E21-R48 IonicContact OE1-NH2 3.54Å; E21-R48 PolarHBondContact OE1-NH2 2.9Å; E21-R48 IonicContact OE2-CZ 2.8Å; E21-R48 IonicContact OE2-NE 3.12Å; E21-R48 IonicContact OE2-NH2 2.77Å; E21-R48 PolarHBondContact OE2-NH2 2.95Å; P41-R48 WeakPolarHBondContact CB-O 3.32Å; P41-R48 WeakPolarHBondContact CG-O 3.09Å; L46-R48 HydrophobicContact CB-CB 4.46Å; L46-R48 PolarHBondContact O-N 3.11Å
49C93.4Very high95.3Very high26 Ų2651.5 Ų51.518%0.17627%0.272CS..  trans-86159.6172.271.70000111.7C7 K51 S52 C53C7-C49 HydrophobicContact CB-CB 4.05Å; C7-C49 WeakPolarHBondContact SG-CB 3.45Å; C49-K51 VanDerWaalsContact C-N 3.29Å; C49-K51 PolarHBondContact O-N 3.39Å; C49-S52 WeakPolarHBondContact O-CB 3.2Å; C49-S52 PolarHBondContact O-N 2.81Å; C49-S52 PolarHBondContact SG-N 2.95Å; C49-C53 PolarHBondContact O-N 3.09Å; C49-C53 VanDerWaalsContact O-N 3.07Å
50G93.9Very high95.5Very high4 Ų453.5 Ų53.54%0.04127%0.27CS..Hα-helixtrans-58-39.4-178.400000114.4W37 S52 C53 R54W37-G50 WeakPolarHBondContact O-CA 3.22Å; G50-S52 VanDerWaalsContact C-N 3.32Å; G50-S52 PolarHBondContact O-N 3.45Å; G50-C53 PolarHBondContact O-N 3.35Å; G50-R54 WeakPolarHBondContact O-CB 3.23Å; G50-R54 PolarHBondContact O-N 3.25Å
51K93.2Very high95.6Very high160 Ų16055.1 Ų55.170%0.69628%0.279SS*.Hα-helixtrans-60.1-43175.3-175.8178.5179.3-179.20111.5C49 L55C49-K51 VanDerWaalsContact C-N 3.29Å; C49-K51 PolarHBondContact O-N 3.39Å; K51-L55 WeakPolarHBondContact O-CB 3.11Å; K51-L55 PolarHBondContact O-N 3.42Å
52S95Very high95.7Very high27 Ų2758.7 Ų58.719%0.18929%0.291CS..Hα-helixtrans-64.2-48.1178.5-172.20000110.9W17 C49 G50 R54 L55 R56W17-S52 WeakPolarHBondContact CZ2-OG 3.27Å; W17-S52 PolarHBondContact NE1-OG 2.85Å; C49-S52 WeakPolarHBondContact O-CB 3.2Å; C49-S52 PolarHBondContact O-N 2.81Å; C49-S52 PolarHBondContact SG-N 2.95Å; G50-S52 VanDerWaalsContact C-N 3.32Å; G50-S52 PolarHBondContact O-N 3.45Å; S52-R54 PolarHBondContact O-N 3.23Å; S52-L55 PolarHBondContact O-N 2.87Å; S52-R56 WeakPolarHBondContact O-CB 3.16Å; S52-R56 PolarHBondContact O-N 3.39Å
53C97Very high95.8Very high0 Ų055.3 Ų55.30%029%0.289CS..Hα-helixtrans-59.9-45.8178.4-62.90000111.8W17 L25 W37 L40 P41 C49 G50 L55 R56 W57W17-C53 HydrophobicContact CH2-CB 4.4Å; L25-C53 HydrophobicContact CD1-CB 4.08Å; L25-C53 HydrophobicContact CD2-CB 4.31Å; W37-C53 HydrophobicContact CE3-CB 4.14Å; W37-C53 HydrophobicContact CZ3-CB 4.14Å; L40-C53 HydrophobicContact CD2-CB 4.09Å; P41-C53 HydrophobicContact CG-CB 4.47Å; C49-C53 PolarHBondContact O-N 3.09Å; C49-C53 VanDerWaalsContact O-N 3.07Å; G50-C53 PolarHBondContact O-N 3.35Å; C53-L55 PolarHBondContact O-N 3.47Å; C53-R56 PolarHBondContact O-N 2.97Å; C53-W57 WeakPolarHBondContact O-CB 3.48Å; C53-W57 PolarHBondContact O-N 3.28Å
54R97.4Very high95.9Very high140 Ų14056.3 Ų56.353%0.52829%0.286SS..Hα-helixtrans-58.1-51.5176.8-174.6175.5-179.2-168.7-1.1111.3W37 G50 S52 R56 W57 I58W37-R54 HydrophobicContact CB-CB 4.43Å; W37-R54 HydrophobicContact CD2-CB 3.45Å; W37-R54 VanDerWaalsContact CD2-CB 3.45Å; W37-R54 HydrophobicContact CD2-CG 3.77Å; W37-R54 VanDerWaalsContact CE3-CA 3.43Å; W37-R54 HydrophobicContact CE3-CB 3.64Å; W37-R54 HydrophobicContact CE3-CG 4.36Å; W37-R54 HydrophobicContact CG-CB 3.81Å; W37-R54 HydrophobicContact CG-CG 4.05Å; W37-R54 HydrophobicContact CH2-CB 4.46Å; W37-R54 HydrophobicContact CZ2-CB 4.29Å; W37-R54 HydrophobicContact CZ2-CG 4.02Å; W37-R54 VanDerWaalsContact CZ3-CA 3.46Å; W37-R54 HydrophobicContact CZ3-CB 4.15Å; G50-R54 WeakPolarHBondContact O-CB 3.23Å; G50-R54 PolarHBondContact O-N 3.25Å; S52-R54 PolarHBondContact O-N 3.23Å; R54-R56 VanDerWaalsContact C-N 3.3Å; R54-R56 PolarHBondContact O-N 3.42Å; R54-W57 PolarHBondContact O-N 3.22Å; R54-I58 HydrophobicContact CG-CG2 4.36Å; R54-I58 WeakPolarHBondContact O-CG1 3.45Å; R54-I58 WeakPolarHBondContact O-CG2 3.4Å; R54-I58 PolarHBondContact O-N 2.81Å
55L96.3Very high95.9Very high99 Ų9956.3 Ų56.352%0.51828%0.284SS..Hα-helixtrans-61-41.8-178.2-173.573000111.4K51 S52 C53 N59K51-L55 WeakPolarHBondContact O-CB 3.11Å; K51-L55 PolarHBondContact O-N 3.42Å; S52-L55 PolarHBondContact O-N 2.87Å; C53-L55 PolarHBondContact O-N 3.47Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.4Å; L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 PolarHBondContact O-N 2.66Å; L55-N59 PolarHBondContact O-ND2 2.73Å
56R98.1Very high96Very high49 Ų4958.3 Ų58.319%0.18528%0.28CS..Hα-helixtrans-63-47177.6-175.762.9175172.6-3.2111.2W17 D22 L25 S52 C53 R54 Y60 L61W17-R56 HydrophobicContact CD2-CB 4.13Å; W17-R56 HydrophobicContact CD2-CG 3.6Å; W17-R56 HydrophobicContact CE3-CG 3.92Å; W17-R56 HydrophobicContact CG-CG 3.96Å; W17-R56 HydrophobicContact CH2-CB 4.21Å; W17-R56 HydrophobicContact CH2-CG 4.32Å; W17-R56 HydrophobicContact CZ2-CB 3.65Å; W17-R56 HydrophobicContact CZ2-CG 4.02Å; W17-R56 HydrophobicContact CZ3-CG 4.28Å; D22-R56 IonicContact OD1-CZ 3.24Å; D22-R56 IonicContact OD1-NE 3.44Å; D22-R56 PolarHBondContact OD1-NE 3.36Å; D22-R56 IonicContact OD1-NH2 3.6Å; D22-R56 PolarHBondContact OD1-NH2 3.44Å; D22-R56 IonicContact OD2-CZ 2.71Å; D22-R56 IonicContact OD2-NE 2.79Å; D22-R56 IonicContact OD2-NH2 3.55Å; D22-R56 PolarHBondContact OD2-NH2 2.99Å; L25-R56 HydrophobicContact CD2-CB 4.19Å; L25-R56 HydrophobicContact CD2-CG 4.19Å; S52-R56 WeakPolarHBondContact O-CB 3.16Å; S52-R56 PolarHBondContact O-N 3.39Å; C53-R56 PolarHBondContact O-N 2.97Å; R54-R56 VanDerWaalsContact C-N 3.3Å; R54-R56 PolarHBondContact O-N 3.42Å; R56-Y60 WeakPolarHBondContact O-CA 3.42Å; R56-Y60 WeakPolarHBondContact O-CB 3.44Å; R56-Y60 PolarHBondContact O-N 3.38Å; R56-L61 HydrophobicContact CG-CD1 3.74Å; R56-L61 HydrophobicContact CG-CG 4.14Å; R56-L61 PolarHBondContact O-N 2.97Å
57W98.2Very high96Very high15 Ų1565.5 Ų65.56%0.05731%0.306CS..Iπ-helixtrans-59.4-58.5179.5179.4-110.4000112L25 V26 I29 E34 W37 C53 R54 N59 L61 R62L25-W57 HydrophobicContact CD2-CB 4.47Å; V26-W57 HydrophobicContact CB-CZ3 4.34Å; V26-W57 HydrophobicContact CG2-CZ3 3.9Å; I29-W57 HydrophobicContact CB-CH2 4.18Å; I29-W57 HydrophobicContact CB-CZ2 4.34Å; I29-W57 HydrophobicContact CB-CZ3 4.33Å; I29-W57 HydrophobicContact CD1-CB 4.23Å; I29-W57 HydrophobicContact CD1-CD2 3.38Å; I29-W57 HydrophobicContact CD1-CE3 3.49Å; I29-W57 VanDerWaalsContact CD1-CE3 3.49Å; I29-W57 HydrophobicContact CD1-CG 3.72Å; I29-W57 HydrophobicContact CD1-CH2 4.41Å; I29-W57 HydrophobicContact CD1-CZ2 4.33Å; I29-W57 HydrophobicContact CD1-CZ3 4.02Å; I29-W57 HydrophobicContact CG2-CH2 3.76Å; I29-W57 HydrophobicContact CG2-CZ2 3.5Å; I29-W57 HydrophobicContact CG2-CZ3 4.35Å; E34-W57 PolarHBondContact OE1-NE1 3.4Å; W37-W57 HydrophobicContact CH2-CB 3.57Å; W37-W57 AromaticContact CH2-CD1 3.59Å; W37-W57 AromaticContact CH2-CG 3.69Å; W37-W57 HydrophobicContact CH2-CG 3.69Å; W37-W57 HydrophobicContact CZ2-CB 4.48Å; W37-W57 AromaticContact CZ2-CD1 3.89Å; W37-W57 HydrophobicContact CZ2-CG 4.41Å; W37-W57 HydrophobicContact CZ3-CB 4.17Å; C53-W57 WeakPolarHBondContact O-CB 3.48Å; C53-W57 PolarHBondContact O-N 3.28Å; R54-W57 PolarHBondContact O-N 3.22Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.13Å; W57-L61 HydrophobicContact CE3-CB 3.62Å; W57-L61 HydrophobicContact CE3-CD1 4.49Å; W57-L61 HydrophobicContact CZ3-CB 4.01Å; W57-L61 PolarHBondContact O-N 3.27Å; W57-R62 HydrophobicContact CZ2-CG 4.27Å; W57-R62 PolarHBondContact O-N 3.43Å
58I96.9Very high96.1Very high47 Ų4763.2 Ų63.224%0.24131%0.307CS..Iπ-helixtrans-66.8-29-171.569.6-175.1000113.7R54R54-I58 HydrophobicContact CG-CG2 4.36Å; R54-I58 WeakPolarHBondContact O-CG1 3.45Å; R54-I58 WeakPolarHBondContact O-CG2 3.4Å; R54-I58 PolarHBondContact O-N 2.81Å
59N97.5Very high96.2Very high10 Ų1069.6 Ų69.65%0.05334%0.343CS..Iπ-helixtrans-98-25.5-177.4-69.5-73.3000113.8L55 W57 L65 N102L55-N59 WeakPolarHBondContact CD1-ND2 3.4Å; L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 PolarHBondContact O-N 2.66Å; L55-N59 PolarHBondContact O-ND2 2.73Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.13Å; N59-L65 VanDerWaalsContact C-CD1 3.5Å; N59-L65 WeakPolarHBondContact O-CD1 3.42Å; N59-N102 WeakPolarHBondContact OD1-CB 3.47Å
60Y97.3Very high96.4Very high109 Ų10969.9 Ų69.943%0.42734%0.341SS..Iπ-helixtrans-132.9-21.9-167.8-59.8-81.9000115.5R56 R67R56-Y60 WeakPolarHBondContact O-CA 3.42Å; R56-Y60 WeakPolarHBondContact O-CB 3.44Å; R56-Y60 PolarHBondContact O-N 3.38Å; Y60-R67 PolarHBondContact O-NH2 3.47Å
61L97.5Very high96.5Very high35 Ų3572.3 Ų72.318%0.18336%0.355CS..Iπ-helixtrans-119.1-16.1-171.9-57.3176.7000114.4D22 L25 V26 R56 W57D22-L61 HydrophobicContact CB-CD1 3.99Å; D22-L61 HydrophobicContact CB-CD2 3.86Å; L25-L61 HydrophobicContact CB-CD1 4.35Å; L25-L61 HydrophobicContact CD2-CD1 3.74Å; L25-L61 HydrophobicContact CG-CD1 4.2Å; V26-L61 HydrophobicContact CG2-CB 4.13Å; V26-L61 HydrophobicContact CG2-CD1 4.12Å; R56-L61 HydrophobicContact CG-CD1 3.74Å; R56-L61 HydrophobicContact CG-CG 4.14Å; R56-L61 PolarHBondContact O-N 2.97Å; W57-L61 HydrophobicContact CE3-CB 3.62Å; W57-L61 HydrophobicContact CE3-CD1 4.49Å; W57-L61 HydrophobicContact CZ3-CB 4.01Å; W57-L61 PolarHBondContact O-N 3.27Å
62R96.3Very high96.7Very high78 Ų7871.5 Ų71.529%0.29435%0.353SS..  trans-59.5133.8179.4-151.6178.467.1-179.36.9110.1W57 D64 L65W57-R62 HydrophobicContact CZ2-CG 4.27Å; W57-R62 PolarHBondContact O-N 3.43Å; R62-D64 VanDerWaalsContact C-N 3.31Å; R62-D64 WeakPolarHBondContact CB-OD1 3.48Å; R62-D64 WeakPolarHBondContact CD-OD1 3.24Å; R62-D64 WeakPolarHBondContact CG-OD1 3.47Å; R62-D64 IonicContact CZ-OD1 3.49Å; R62-D64 IonicContact CZ-OD2 3.16Å; R62-D64 VanDerWaalsContact NE-CG 3.27Å; R62-D64 IonicContact NE-OD1 3.54Å; R62-D64 PolarHBondContact NE-OD1 3.29Å; R62-D64 IonicContact NE-OD2 3.56Å; R62-D64 PolarHBondContact NE-OD2 2.64Å; R62-D64 VanDerWaalsContact NE-OD2 3.12Å; R62-D64 IonicContact NH2-OD1 3.53Å; R62-D64 IonicContact NH2-OD2 2.7Å; R62-D64 PolarHBondContact NH2-OD2 2.93Å; R62-D64 PolarHBondContact O-N 3.48Å; R62-L65 HydrophobicContact CB-CD1 4.01Å; R62-L65 HydrophobicContact CB-CG 3.97Å; R62-L65 WeakPolarHBondContact O-CB 3.31Å; R62-L65 VanDerWaalsContact O-CG 3.26Å; R62-L65 WeakPolarHBondContact O-CG 3.41Å; R62-L65 PolarHBondContact O-N 2.82Å
63P95.9Very high96.8Very high119 Ų11976.2 Ų76.277%0.77337%0.373SS*.THydrogen-bonded Turntrans-70.7-22.3-169.325.1-35.7000114.9L65P63-L65 VanDerWaalsContact C-N 3.28Å; P63-L65 PolarHBondContact O-N 2.94Å
64D95.1Very high96.9Very high79 Ų7976.8 Ų76.842%0.42238%0.375SS..THydrogen-bonded Turntrans-84.23.1179.366.9-34.1000113.3R62 K66 G98R62-D64 VanDerWaalsContact C-N 3.31Å; R62-D64 WeakPolarHBondContact CB-OD1 3.48Å; R62-D64 WeakPolarHBondContact CD-OD1 3.24Å; R62-D64 WeakPolarHBondContact CG-OD1 3.47Å; R62-D64 IonicContact CZ-OD1 3.49Å; R62-D64 IonicContact CZ-OD2 3.16Å; R62-D64 VanDerWaalsContact NE-CG 3.27Å; R62-D64 IonicContact NE-OD1 3.54Å; R62-D64 PolarHBondContact NE-OD1 3.29Å; R62-D64 IonicContact NE-OD2 3.56Å; R62-D64 PolarHBondContact NE-OD2 2.64Å; R62-D64 VanDerWaalsContact NE-OD2 3.12Å; R62-D64 IonicContact NH2-OD1 3.53Å; R62-D64 IonicContact NH2-OD2 2.7Å; R62-D64 PolarHBondContact NH2-OD2 2.93Å; R62-D64 PolarHBondContact O-N 3.48Å; D64-K66 PolarHBondContact O-N 3.35Å; D64-G98 WeakPolarHBondContact O-CA 3.32Å
65L96.8Very high96.9Very high15 Ų1570.6 Ų70.68%0.07935%0.352CS..PPolyproline II helixtrans-73.1122.9176.9-64.5176.1000110.9N59 R62 P63 T100N59-L65 VanDerWaalsContact C-CD1 3.5Å; N59-L65 WeakPolarHBondContact O-CD1 3.42Å; R62-L65 HydrophobicContact CB-CD1 4.01Å; R62-L65 HydrophobicContact CB-CG 3.97Å; R62-L65 WeakPolarHBondContact O-CB 3.31Å; R62-L65 VanDerWaalsContact O-CG 3.26Å; R62-L65 WeakPolarHBondContact O-CG 3.41Å; R62-L65 PolarHBondContact O-N 2.82Å; P63-L65 VanDerWaalsContact C-N 3.28Å; P63-L65 PolarHBondContact O-N 2.94Å; L65-T100 HydrophobicContact CD2-CG2 3.37Å
66K96.9Very high96.9Very high88 Ų8870.3 Ų70.338%0.38335%0.351SS..PPolyproline II helixtrans-72.4131.4173.6-72.1177.669-175.80110D64 E74 P97 G98D64-K66 PolarHBondContact O-N 3.35Å; K66-E74 IonicContact NZ-OE1 3.6Å; K66-E74 PolarHBondContact NZ-OE1 3.16Å; K66-P97 WeakPolarHBondContact CD-O 3.32Å; K66-G98 PolarHBondContact N-O 2.77Å
67R95.2Very high96.9Very high159 Ų15971 Ų7160%0.636%0.359SS*.PPolyproline II helixtrans-100.6142.6172.4-58.5-54.9-172.8-167.1-1.2110.3Y60Y60-R67 PolarHBondContact O-NH2 3.47Å
68G94.9Very high96.9Very high53 Ų5370.3 Ų70.355%0.54636%0.356SS..SBendtrans105.9-172.6177.300000113.7R99G68-R99 PolarHBondContact O-NH1 3.44Å
69N96.7Very high97Very high150 Ų15069.2 Ų69.280%0.80235%0.351SS*.PPolyproline II helixtrans-67.4155.9-170.7-61.313.4000111.6R99N69-R99 PolarHBondContact O-NH2 2.94Å
70F97.9Very high97Very high32 Ų3274.5 Ų74.514%0.1437%0.373CS..PPolyproline II helixtrans-70.5142.9169.1-76.1-99.1000110.2E74 I78 R99 E103 I104 Y107F70-E74 VanDerWaalsContact CA-OE2 3.25Å; F70-E74 WeakPolarHBondContact CA-OE2 3.49Å; F70-E74 HydrophobicContact CD1-CB 3.99Å; F70-I78 HydrophobicContact CD1-CD1 3.71Å; F70-I78 HydrophobicContact CE1-CD1 3.66Å; F70-R99 HydrophobicContact CE1-CB 4.47Å; F70-R99 HydrophobicContact CE1-CG 3.92Å; F70-R99 HydrophobicContact CZ-CG 4.43Å; F70-E103 HydrophobicContact CE2-CB 4.47Å; F70-E103 HydrophobicContact CZ-CB 4.04Å; F70-I104 HydrophobicContact CE1-CG1 4.25Å; F70-I104 HydrophobicContact CZ-CG1 4.41Å; F70-Y107 HydrophobicContact CB-CD1 4.15Å; F70-Y107 HydrophobicContact CB-CD2 4.35Å; F70-Y107 HydrophobicContact CB-CE1 3.61Å; F70-Y107 HydrophobicContact CB-CE2 3.86Å; F70-Y107 HydrophobicContact CB-CG 4.47Å; F70-Y107 VanDerWaalsContact CB-CZ 3.46Å; F70-Y107 AromaticContact CD1-CD1 3.97Å; F70-Y107 HydrophobicContact CD1-CD1 3.97Å; F70-Y107 HydrophobicContact CD1-CE1 4.17Å; F70-Y107 HydrophobicContact CD1-CG 4.35Å; F70-Y107 AromaticContact CD2-CD1 3.8Å; F70-Y107 HydrophobicContact CD2-CD1 3.8Å; F70-Y107 AromaticContact CD2-CD2 3.37Å; F70-Y107 HydrophobicContact CD2-CD2 3.37Å; F70-Y107 HydrophobicContact CD2-CE1 4.1Å; F70-Y107 AromaticContact CD2-CE2 3.74Å; F70-Y107 HydrophobicContact CD2-CE2 3.74Å; F70-Y107 AromaticContact CD2-CG 3.4Å; F70-Y107 HydrophobicContact CD2-CG 3.4Å; F70-Y107 VanDerWaalsContact CD2-CG 3.4Å; F70-Y107 HydrophobicContact CE1-CD1 4.31Å; F70-Y107 HydrophobicContact CE1-CG 4.5Å; F70-Y107 HydrophobicContact CE2-CD1 4.16Å; F70-Y107 AromaticContact CE2-CD2 3.86Å; F70-Y107 HydrophobicContact CE2-CD2 3.86Å; F70-Y107 AromaticContact CE2-CG 3.58Å; F70-Y107 HydrophobicContact CE2-CG 3.58Å; F70-Y107 AromaticContact CG-CD1 3.69Å; F70-Y107 HydrophobicContact CG-CD1 3.69Å; F70-Y107 AromaticContact CG-CD2 3.99Å; F70-Y107 HydrophobicContact CG-CD2 3.99Å; F70-Y107 AromaticContact CG-CE1 3.7Å; F70-Y107 HydrophobicContact CG-CE1 3.7Å; F70-Y107 HydrophobicContact CG-CE2 4.03Å; F70-Y107 AromaticContact CG-CG 3.82Å; F70-Y107 HydrophobicContact CG-CG 3.82Å; F70-Y107 AromaticContact CG-CZ 3.88Å; F70-Y107 HydrophobicContact CZ-CD1 4.39Å; F70-Y107 HydrophobicContact CZ-CG 4.13Å
71T97.5Very high97Very high54 Ų5470.9 Ų70.933%0.33136%0.359SS..PPolyproline II helixtrans-85.4163.9174.578.70000111E73 E74 D75T71-E73 WeakPolarHBondContact CB-OE2 3.48Å; T71-E73 PolarHBondContact O-N 3.2Å; T71-E73 PolarHBondContact OG1-OE2 2.99Å; T71-E74 PolarHBondContact N-OE2 3.5Å; T71-E74 WeakPolarHBondContact O-CB 3.07Å; T71-E74 PolarHBondContact O-N 3.21Å; T71-E74 VanDerWaalsContact O-N 3.12Å; T71-E74 WeakPolarHBondContact OG1-CG 3.44Å; T71-E74 PolarHBondContact OG1-N 3.34Å; T71-D75 PolarHBondContact O-N 2.91Å
72E96.9Very high97Very high143 Ų14369.5 Ų69.567%0.66835%0.352SS*.Hα-helixtrans-63.2-34.1177.4-64-166.4160.800112E74 D75 D76E72-E74 VanDerWaalsContact C-N 3.34Å; E72-D75 WeakPolarHBondContact O-CB 3.24Å; E72-D75 PolarHBondContact O-N 3.46Å; E72-D76 PolarHBondContact O-N 3.13Å
73E97.6Very high97Very high127 Ų12771.7 Ų71.759%0.59337%0.366SS*.Hα-helixtrans-66-38.8174.2-53.176.5-166.600111.3T71 D76 L77T71-E73 WeakPolarHBondContact CB-OE2 3.48Å; T71-E73 PolarHBondContact O-N 3.2Å; T71-E73 PolarHBondContact OG1-OE2 2.99Å; E73-D76 PolarHBondContact O-N 3.48Å; E73-L77 WeakPolarHBondContact O-CG 3.02Å; E73-L77 PolarHBondContact O-N 3.31Å; E73-L77 VanDerWaalsContact O-N 3.1Å
74E98.2Very high97.1Very high12 Ų1271.2 Ų71.26%0.05636%0.356CS..Hα-helixtrans-65.7-39.2174.3-67.9176.4143.900111.1K66 F70 T71 E72 D76 L77 I78 L96 R99K66-E74 IonicContact NZ-OE1 3.6Å; K66-E74 PolarHBondContact NZ-OE1 3.16Å; F70-E74 VanDerWaalsContact CA-OE2 3.25Å; F70-E74 WeakPolarHBondContact CA-OE2 3.49Å; F70-E74 HydrophobicContact CD1-CB 3.99Å; T71-E74 PolarHBondContact N-OE2 3.5Å; T71-E74 WeakPolarHBondContact O-CB 3.07Å; T71-E74 PolarHBondContact O-N 3.21Å; T71-E74 VanDerWaalsContact O-N 3.12Å; T71-E74 WeakPolarHBondContact OG1-CG 3.44Å; T71-E74 PolarHBondContact OG1-N 3.34Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E74-D76 PolarHBondContact O-N 2.84Å; E74-L77 PolarHBondContact O-N 3.19Å; E74-I78 WeakPolarHBondContact O-CG1 3.32Å; E74-I78 PolarHBondContact O-N 2.94Å; E74-L96 HydrophobicContact CB-CD2 4.26Å; E74-L96 HydrophobicContact CG-CD2 4.14Å; E74-R99 IonicContact OE1-CZ 2.64Å; E74-R99 IonicContact OE1-NE 3.78Å; E74-R99 PolarHBondContact OE1-NE 2.78Å; E74-R99 IonicContact OE1-NH2 3.06Å; E74-R99 IonicContact OE2-CZ 3.03Å; E74-R99 IonicContact OE2-NE 3.5Å; E74-R99 PolarHBondContact OE2-NE 3.49Å; E74-R99 IonicContact OE2-NH2 3.36Å; E74-R99 PolarHBondContact OE2-NH2 2.88Å
75D97.2Very high97.1Very high9 Ų971 Ų715%0.04835%0.352CS..Hα-helixtrans-55.9-50.9173.7-77.415.7000111.4T71 E72 L77 I78 I79 Y107 I112 K115T71-D75 PolarHBondContact O-N 2.91Å; E72-D75 WeakPolarHBondContact O-CB 3.24Å; E72-D75 PolarHBondContact O-N 3.46Å; D75-L77 VanDerWaalsContact C-N 3.33Å; D75-L77 PolarHBondContact O-N 3.46Å; D75-I78 PolarHBondContact O-N 2.93Å; D75-I79 VanDerWaalsContact O-CG1 3.31Å; D75-I79 WeakPolarHBondContact O-CG1 3.2Å; D75-I79 PolarHBondContact O-N 3.09Å; D75-Y107 WeakPolarHBondContact OD1-CE1 3.42Å; D75-Y107 PolarHBondContact OD1-OH 3.29Å; D75-Y107 PolarHBondContact OD2-OH 2.76Å; D75-I112 HydrophobicContact CB-CD1 3.94Å; D75-K115 IonicContact OD2-NZ 3.16Å; D75-K115 PolarHBondContact OD2-NZ 3.03Å
76D97.2Very high97.1Very high93 Ų9371.5 Ų71.550%0.49736%0.36SS..Hα-helixtrans-63.8-39.8-177-71.7-16.6000111.5E72 E73 E74 I79 K80E72-D76 PolarHBondContact O-N 3.13Å; E73-D76 PolarHBondContact O-N 3.48Å; E74-D76 PolarHBondContact O-N 2.84Å; D76-I79 PolarHBondContact O-N 3.29Å; D76-K80 VanDerWaalsContact O-CB 3.24Å; D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 PolarHBondContact O-N 2.59Å
77L98.1Very high97.1Very high64 Ų6471.6 Ų71.634%0.33536%0.364SS..Hα-helixtrans-63.9-43.6173.8-71.5175.8000112E73 E74 D75 K80 F81 L96E73-L77 WeakPolarHBondContact O-CG 3.02Å; E73-L77 PolarHBondContact O-N 3.31Å; E73-L77 VanDerWaalsContact O-N 3.1Å; E74-L77 PolarHBondContact O-N 3.19Å; D75-L77 VanDerWaalsContact C-N 3.33Å; D75-L77 PolarHBondContact O-N 3.46Å; L77-K80 PolarHBondContact O-N 2.81Å; L77-F81 HydrophobicContact CB-CD2 4.32Å; L77-F81 HydrophobicContact CB-CE2 4.25Å; L77-F81 HydrophobicContact CD2-CE2 3.99Å; L77-F81 WeakPolarHBondContact O-CB 3.5Å; L77-F81 WeakPolarHBondContact O-CD2 3.26Å; L77-F81 WeakPolarHBondContact O-CG 3.37Å; L77-F81 PolarHBondContact O-N 3.32Å; L77-L96 HydrophobicContact CB-CD2 3.93Å; L77-L96 HydrophobicContact CD1-CD2 3.74Å
78I98.3Very high97.2Very high0 Ų070.2 Ų70.20%036%0.363CS..Hα-helixtrans-60.6-46.9177.2-70168000110.3F70 E74 D75 F81 H82 L96 I104 Y107 W108 I112F70-I78 HydrophobicContact CD1-CD1 3.71Å; F70-I78 HydrophobicContact CE1-CD1 3.66Å; E74-I78 WeakPolarHBondContact O-CG1 3.32Å; E74-I78 PolarHBondContact O-N 2.94Å; D75-I78 PolarHBondContact O-N 2.93Å; I78-F81 PolarHBondContact O-N 2.86Å; I78-H82 VanDerWaalsContact O-CB 3.23Å; I78-H82 WeakPolarHBondContact O-CB 3.4Å; I78-H82 PolarHBondContact O-N 3.33Å; I78-L96 HydrophobicContact CD1-CD1 4.16Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I78-I104 HydrophobicContact CD1-CG1 4.45Å; I78-I104 HydrophobicContact CD1-CG2 4.19Å; I78-I104 HydrophobicContact CG1-CG2 4.07Å; I78-I104 HydrophobicContact CG2-CG2 4.17Å; I78-Y107 HydrophobicContact CD1-CD1 3.81Å; I78-Y107 HydrophobicContact CD1-CE1 4.29Å; I78-W108 HydrophobicContact CG2-CE3 3.87Å; I78-W108 HydrophobicContact CG2-CZ3 4.47Å; I78-I112 HydrophobicContact CG2-CG1 4.35Å
79I97.7Very high97.4Very high25 Ų2569.3 Ų69.313%0.12834%0.343CS..Hα-helixtrans-60.2-52.7178.9-68.1164.3000110D75 D76 F81 H82 E83 W108 I112 L116 H126D75-I79 VanDerWaalsContact O-CG1 3.31Å; D75-I79 WeakPolarHBondContact O-CG1 3.2Å; D75-I79 PolarHBondContact O-N 3.09Å; D76-I79 PolarHBondContact O-N 3.29Å; I79-F81 PolarHBondContact O-N 3.49Å; I79-H82 PolarHBondContact O-N 3.13Å; I79-E83 PolarHBondContact O-N 3.17Å; I79-W108 HydrophobicContact CG1-CZ3 4.5Å; I79-I112 HydrophobicContact CD1-CD1 4.41Å; I79-I112 HydrophobicContact CD1-CG2 4.11Å; I79-I112 HydrophobicContact CG1-CD1 4.42Å; I79-I112 HydrophobicContact CG1-CG2 3.57Å; I79-L116 HydrophobicContact CD1-CD2 4.09Å; I79-L116 HydrophobicContact CG1-CD2 4.45Å; I79-L116 HydrophobicContact CG2-CD2 4.38Å; I79-H126 PolarHBondContact O-CE1 2.7Å; I79-H126 VanDerWaalsContact O-CE1 3.27Å
80K97.3Very high97.4Very high120 Ų12066.1 Ų66.152%0.52233%0.332SS..Hα-helixtrans-56.8-46.5179.7179.7178.7-179.41760112.5D76 L77 E83 L84D76-K80 VanDerWaalsContact O-CB 3.24Å; D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 PolarHBondContact O-N 2.59Å; L77-K80 PolarHBondContact O-N 2.81Å; K80-E83 WeakPolarHBondContact O-CB 3.21Å; K80-E83 PolarHBondContact O-N 3.36Å; K80-L84 WeakPolarHBondContact O-CG 3.35Å; K80-L84 PolarHBondContact O-N 2.94Å
81F98Very high97.4Very high33 Ų3368.3 Ų68.315%0.14535%0.345CS..Hα-helixtrans-76-29.3-179.3-69-53.3000113L77 I78 I79 E83 L84 F85 I92 R95L77-F81 HydrophobicContact CB-CD2 4.32Å; L77-F81 HydrophobicContact CB-CE2 4.25Å; L77-F81 HydrophobicContact CD2-CE2 3.99Å; L77-F81 WeakPolarHBondContact O-CB 3.5Å; L77-F81 WeakPolarHBondContact O-CD2 3.26Å; L77-F81 WeakPolarHBondContact O-CG 3.37Å; L77-F81 PolarHBondContact O-N 3.32Å; I78-F81 PolarHBondContact O-N 2.86Å; I79-F81 PolarHBondContact O-N 3.49Å; F81-E83 VanDerWaalsContact C-N 3.33Å; F81-L84 HydrophobicContact CD1-CD1 4.35Å; F81-L84 PolarHBondContact O-N 3.4Å; F81-F85 HydrophobicContact CB-CD2 4.17Å; F81-F85 HydrophobicContact CB-CE2 4.48Å; F81-F85 HydrophobicContact CD1-CD2 4.21Å; F81-F85 AromaticContact CD1-CE2 3.68Å; F81-F85 HydrophobicContact CD1-CE2 3.68Å; F81-F85 HydrophobicContact CE1-CE2 4.37Å; F81-F85 HydrophobicContact CG-CE2 4.42Å; F81-F85 WeakPolarHBondContact O-CB 3.5Å; F81-F85 PolarHBondContact O-N 3.49Å; F81-I92 HydrophobicContact CB-CB 4.48Å; F81-I92 HydrophobicContact CB-CD1 4.25Å; F81-I92 HydrophobicContact CB-CG1 3.95Å; F81-I92 HydrophobicContact CB-CG2 4.03Å; F81-I92 HydrophobicContact CD2-CG2 4.46Å; F81-R95 HydrophobicContact CD2-CB 4.03Å; F81-R95 HydrophobicContact CD2-CG 4.37Å; F81-R95 HydrophobicContact CE1-CG 4.21Å; F81-R95 HydrophobicContact CE2-CB 3.41Å; F81-R95 VanDerWaalsContact CE2-CB 3.41Å; F81-R95 HydrophobicContact CE2-CG 3.86Å; F81-R95 HydrophobicContact CZ-CB 3.77Å; F81-R95 HydrophobicContact CZ-CG 3.77Å
82H98.2Very high97.4Very high6 Ų665.8 Ų65.83%0.02833%0.33CS..Hα-helixtrans-65.9-37.1170.8-176.2-91.2000111.3I78 I79 L84 G86 N87 W89 I92 W108 H126I78-H82 VanDerWaalsContact O-CB 3.23Å; I78-H82 WeakPolarHBondContact O-CB 3.4Å; I78-H82 PolarHBondContact O-N 3.33Å; I79-H82 PolarHBondContact O-N 3.13Å; H82-L84 VanDerWaalsContact C-N 3.3Å; H82-L84 PolarHBondContact O-N 2.98Å; H82-G86 VanDerWaalsContact CD2-C 3.49Å; H82-G86 PolarHBondContact CD2-O 3.45Å; H82-G86 WeakPolarHBondContact O-CA 3.32Å; H82-G86 PolarHBondContact O-N 3.07Å; H82-N87 PolarHBondContact NE2-OD1 2.94Å; H82-N87 VanDerWaalsContact NE2-OD1 3.11Å; H82-W89 AromaticContact CD2-CH2 3.61Å; H82-W89 AromaticContact CD2-CZ3 3.99Å; H82-I92 HydrophobicContact CB-CD1 4.42Å; H82-W108 HydrophobicContact CB-CE3 4.24Å; H82-W108 HydrophobicContact CB-CH2 3.95Å; H82-W108 HydrophobicContact CB-CZ3 3.71Å; H82-W108 AromaticContact CD2-CE2 3.86Å; H82-W108 AromaticContact CD2-CZ2 3.83Å; H82-W108 AromaticContact CE1-CE2 3.84Å; H82-W108 AromaticContact CE1-CH2 3.64Å; H82-W108 AromaticContact CE1-CZ2 3.2Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.31Å; H82-W108 AromaticContact CG-CH2 3.44Å; H82-W108 VanDerWaalsContact CG-CH2 3.44Å; H82-W108 AromaticContact CG-CZ2 3.64Å; H82-W108 AromaticContact CG-CZ3 3.65Å; H82-W108 AromaticContact ND1-CH2 3.11Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.36Å; H82-W108 AromaticContact ND1-CZ2 3.22Å; H82-W108 WeakPolarHBondContact ND1-CZ2 2.98Å; H82-W108 AromaticContact ND1-CZ3 3.83Å; H82-W108 AromaticContact NE2-CE2 3.72Å; H82-W108 AromaticContact NE2-CZ2 3.57Å; H82-W108 AromaticContact NE2-NE1 3.88Å; H82-H126 AromaticContact CE1-NE2 3.96Å; H82-H126 AromaticContact CG-NE2 3.76Å; H82-H126 AromaticContact ND1-CE1 3.52Å; H82-H126 AromaticContact ND1-NE2 2.92Å; H82-H126 PolarHBondContact ND1-NE2 3.2Å
83E96.7Very high97.5Very high125 Ų12559.9 Ų59.958%0.58431%0.305SS*.Hα-helixtrans-59.8-42.1173.4-171.8-175.8176.800111.8I79 K80 F81 H126I79-E83 PolarHBondContact O-N 3.17Å; K80-E83 WeakPolarHBondContact O-CB 3.21Å; K80-E83 PolarHBondContact O-N 3.36Å; F81-E83 VanDerWaalsContact C-N 3.33Å; E83-H126 VanDerWaalsContact CA-CD2 3.44Å; E83-H126 WeakPolarHBondContact CA-CD2 3.43Å; E83-H126 VanDerWaalsContact CA-NE2 3.27Å; E83-H126 WeakPolarHBondContact CA-NE2 3.22Å; E83-H126 HydrophobicContact CB-CB 4.48Å; E83-H126 HydrophobicContact CG-CB 4.14Å; E83-H126 PolarHBondContact N-NE2 3.22Å
84L96.3Very high97.5Very high109 Ų10956.8 Ų56.857%0.57131%0.308SS*.Hα-helixtrans-78.3-39.6-178-65.2172.9000113.8K80 F81 H82K80-L84 WeakPolarHBondContact O-CG 3.35Å; K80-L84 PolarHBondContact O-N 2.94Å; F81-L84 HydrophobicContact CD1-CD1 4.35Å; F81-L84 PolarHBondContact O-N 3.4Å; H82-L84 VanDerWaalsContact C-N 3.3Å; H82-L84 PolarHBondContact O-N 2.98Å
85F95.7Very high97.4Very high75 Ų7563.6 Ų63.633%0.32933%0.333SS..Hα-helixtrans-118.5-9-167.8-54.6-45.3000114.5F81 K88 L91F81-F85 HydrophobicContact CB-CD2 4.17Å; F81-F85 HydrophobicContact CB-CE2 4.48Å; F81-F85 HydrophobicContact CD1-CD2 4.21Å; F81-F85 AromaticContact CD1-CE2 3.68Å; F81-F85 HydrophobicContact CD1-CE2 3.68Å; F81-F85 HydrophobicContact CE1-CE2 4.37Å; F81-F85 HydrophobicContact CG-CE2 4.42Å; F81-F85 WeakPolarHBondContact O-CB 3.5Å; F81-F85 PolarHBondContact O-N 3.49Å; F85-K88 HydrophobicContact CB-CB 4.26Å; F85-K88 HydrophobicContact CB-CD 4.36Å; F85-K88 WeakPolarHBondContact O-CD 3.25Å; F85-K88 VanDerWaalsContact O-CG 3.31Å; F85-K88 WeakPolarHBondContact O-CG 3.34Å; F85-L91 HydrophobicContact CB-CD2 4.2Å; F85-L91 HydrophobicContact CD1-CD2 3.89Å; F85-L91 HydrophobicContact CD2-CD2 3.77Å; F85-L91 HydrophobicContact CD2-CG 4.21Å; F85-L91 HydrophobicContact CE1-CD2 4.17Å; F85-L91 HydrophobicContact CE2-CD2 4.06Å; F85-L91 HydrophobicContact CE2-CG 4.36Å; F85-L91 HydrophobicContact CG-CD2 3.69Å; F85-L91 HydrophobicContact CZ-CD2 4.25Å
86G96.5Very high97.4Very high24 Ų2463.3 Ų63.325%0.24733%0.332CS..SBendtrans61.8-143.1-171.700000112.6H82 K88H82-G86 VanDerWaalsContact CD2-C 3.49Å; H82-G86 PolarHBondContact CD2-O 3.45Å; H82-G86 WeakPolarHBondContact O-CA 3.32Å; H82-G86 PolarHBondContact O-N 3.07Å; G86-K88 PolarHBondContact O-N 3.12Å
87N97.4Very high97.4Very high90 Ų9064.1 Ų64.148%0.48134%0.342SS..SBendtrans-74.525.9-175.7-61.3-43.5000114.7H82 W89H82-N87 PolarHBondContact NE2-OD1 2.94Å; H82-N87 VanDerWaalsContact NE2-OD1 3.11Å; N87-W89 HydrophobicContact CB-CZ2 3.86Å; N87-W89 VanDerWaalsContact O-CD1 3.24Å; N87-W89 PolarHBondContact O-N 3.27Å; N87-W89 PolarHBondContact O-NE1 3.41Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.36Å
88K97.7Very high97.3Very high130 Ų13061.6 Ų61.657%0.56533%0.331SS*.  trans-81.264.2177.8-67.2179.5-169.9-720110.6F85 G86 S90 L91 I92F85-K88 HydrophobicContact CB-CB 4.26Å; F85-K88 HydrophobicContact CB-CD 4.36Å; F85-K88 WeakPolarHBondContact O-CD 3.25Å; F85-K88 VanDerWaalsContact O-CG 3.31Å; F85-K88 WeakPolarHBondContact O-CG 3.34Å; G86-K88 PolarHBondContact O-N 3.12Å; K88-S90 VanDerWaalsContact C-N 3.33Å; K88-S90 PolarHBondContact O-N 2.91Å; K88-L91 HydrophobicContact CB-CB 4.12Å; K88-L91 HydrophobicContact CD-CD2 4.44Å; K88-L91 WeakPolarHBondContact O-CA 3.43Å; K88-L91 VanDerWaalsContact O-CB 3.32Å; K88-L91 WeakPolarHBondContact O-CB 3.17Å; K88-L91 PolarHBondContact O-N 3.24Å; K88-I92 PolarHBondContact O-N 3.37Å; K88-I92 VanDerWaalsContact O-N 3.16Å
89W98.5Very high97.3Very high34 Ų3462 Ų6213%0.12933%0.333CS..Hα-helixtrans-55-41.4-169.8-53118.4000114.6H82 N87 L91 I92 A93 D101 I104 K105 W108H82-W89 AromaticContact CD2-CH2 3.61Å; H82-W89 AromaticContact CD2-CZ3 3.99Å; N87-W89 HydrophobicContact CB-CZ2 3.86Å; N87-W89 VanDerWaalsContact O-CD1 3.24Å; N87-W89 PolarHBondContact O-N 3.27Å; N87-W89 PolarHBondContact O-NE1 3.41Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.36Å; W89-L91 PolarHBondContact O-N 3.34Å; W89-I92 HydrophobicContact CE3-CD1 3.99Å; W89-I92 HydrophobicContact CZ3-CD1 4.07Å; W89-I92 PolarHBondContact O-N 3.1Å; W89-A93 WeakPolarHBondContact O-CB 3.39Å; W89-A93 PolarHBondContact O-N 3.4Å; W89-D101 HydrophobicContact CB-CB 3.8Å; W89-I104 HydrophobicContact CE3-CG2 3.8Å; W89-I104 HydrophobicContact CZ3-CG2 4.13Å; W89-K105 HydrophobicContact CD2-CB 3.81Å; W89-K105 HydrophobicContact CD2-CG 4.35Å; W89-K105 HydrophobicContact CE3-CB 4.47Å; W89-K105 HydrophobicContact CG-CB 3.8Å; W89-K105 HydrophobicContact CG-CG 4.36Å; W89-K105 HydrophobicContact CZ2-CG 4.43Å; W89-W108 HydrophobicContact CH2-CB 3.78Å; W89-W108 AromaticContact CH2-CD1 3.47Å; W89-W108 VanDerWaalsContact CH2-CD1 3.47Å; W89-W108 AromaticContact CH2-CD2 3.94Å; W89-W108 HydrophobicContact CH2-CD2 3.94Å; W89-W108 AromaticContact CH2-CG 3.45Å; W89-W108 HydrophobicContact CH2-CG 3.45Å; W89-W108 VanDerWaalsContact CH2-CG 3.45Å; W89-W108 AromaticContact CH2-NE1 3.92Å; W89-W108 AromaticContact CZ2-CD1 3.95Å; W89-W108 HydrophobicContact CZ2-CG 4.3Å; W89-W108 HydrophobicContact CZ3-CB 4.06Å; W89-W108 HydrophobicContact CZ3-CD2 4.45Å; W89-W108 HydrophobicContact CZ3-CG 4.09Å
90S97.5Very high97.3Very high83 Ų8361.3 Ų61.358%0.5833%0.329SS*.Hα-helixtrans-64.6-30.2178.4-41.30000112.5K88 G94 D101K88-S90 VanDerWaalsContact C-N 3.33Å; K88-S90 PolarHBondContact O-N 2.91Å; S90-G94 PolarHBondContact O-N 3.06Å; S90-D101 PolarHBondContact OG-OD2 3.22Å
91L97.3Very high97.3Very high79 Ų7958.2 Ų58.241%0.41432%0.318SS..Hα-helixtrans-72.9-41173.8-174.764.2000111.4F85 K88 W89 G94F85-L91 HydrophobicContact CB-CD2 4.2Å; F85-L91 HydrophobicContact CD1-CD2 3.89Å; F85-L91 HydrophobicContact CD2-CD2 3.77Å; F85-L91 HydrophobicContact CD2-CG 4.21Å; F85-L91 HydrophobicContact CE1-CD2 4.17Å; F85-L91 HydrophobicContact CE2-CD2 4.06Å; F85-L91 HydrophobicContact CE2-CG 4.36Å; F85-L91 HydrophobicContact CG-CD2 3.69Å; F85-L91 HydrophobicContact CZ-CD2 4.25Å; K88-L91 HydrophobicContact CB-CB 4.12Å; K88-L91 HydrophobicContact CD-CD2 4.44Å; K88-L91 WeakPolarHBondContact O-CA 3.43Å; K88-L91 VanDerWaalsContact O-CB 3.32Å; K88-L91 WeakPolarHBondContact O-CB 3.17Å; K88-L91 PolarHBondContact O-N 3.24Å; W89-L91 PolarHBondContact O-N 3.34Å; L91-G94 PolarHBondContact O-N 3.32Å
92I98.3Very high97.3Very high0 Ų058.5 Ų58.50%032%0.322CS..Hα-helixtrans-64.4-43.2176.4-57.7-178.1000110.5F81 H82 K88 W89 G94 R95 L96 I104F81-I92 HydrophobicContact CB-CB 4.48Å; F81-I92 HydrophobicContact CB-CD1 4.25Å; F81-I92 HydrophobicContact CB-CG1 3.95Å; F81-I92 HydrophobicContact CB-CG2 4.03Å; F81-I92 HydrophobicContact CD2-CG2 4.46Å; H82-I92 HydrophobicContact CB-CD1 4.42Å; K88-I92 PolarHBondContact O-N 3.37Å; K88-I92 VanDerWaalsContact O-N 3.16Å; W89-I92 HydrophobicContact CE3-CD1 3.99Å; W89-I92 HydrophobicContact CZ3-CD1 4.07Å; W89-I92 PolarHBondContact O-N 3.1Å; I92-G94 PolarHBondContact O-N 3.26Å; I92-R95 PolarHBondContact O-N 2.86Å; I92-L96 HydrophobicContact CG2-CD1 3.99Å; I92-I104 HydrophobicContact CG2-CD1 4.36Å; I92-I104 HydrophobicContact CG2-CG2 4.11Å
93A97.9Very high97.3Very high19 Ų1960.1 Ų60.116%0.15733%0.329CS..Hα-helixtrans-57.5-33.217700000112.7W89 R95 L96 D101 I104W89-A93 WeakPolarHBondContact O-CB 3.39Å; W89-A93 PolarHBondContact O-N 3.4Å; A93-R95 PolarHBondContact O-N 3.15Å; A93-L96 PolarHBondContact O-N 3.4Å; A93-L96 VanDerWaalsContact O-N 3.11Å; A93-D101 HydrophobicContact CB-CB 4.05Å; A93-I104 VanDerWaalsContact CA-CD1 3.47Å; A93-I104 HydrophobicContact CB-CD1 3.76Å
94G96.7Very high97.4Very high63 Ų6354.2 Ų54.265%0.64930%0.302SS*.THydrogen-bonded Turntrans-62.1-12173.800000114.7S90 L91 I92S90-G94 PolarHBondContact O-N 3.06Å; L91-G94 PolarHBondContact O-N 3.32Å; I92-G94 PolarHBondContact O-N 3.26Å
95R96.9Very high97.5Very high155 Ų15552.3 Ų52.359%0.58529%0.289SS*.THydrogen-bonded Turntrans-109.3-3.5177.7-52.3-57.2-177.7-170.51.1113.6F81 I92 A93F81-R95 HydrophobicContact CD2-CB 4.03Å; F81-R95 HydrophobicContact CD2-CG 4.37Å; F81-R95 HydrophobicContact CE1-CG 4.21Å; F81-R95 HydrophobicContact CE2-CB 3.41Å; F81-R95 VanDerWaalsContact CE2-CB 3.41Å; F81-R95 HydrophobicContact CE2-CG 3.86Å; F81-R95 HydrophobicContact CZ-CB 3.77Å; F81-R95 HydrophobicContact CZ-CG 3.77Å; I92-R95 PolarHBondContact O-N 2.86Å; A93-R95 PolarHBondContact O-N 3.15Å
96L97.5Very high97.6Very high3 Ų352.3 Ų52.32%0.01629%0.292CS..SBendtrans-121.486.5-178.2-72.7165.4000109E74 L77 I78 I92 A93 G98 R99 I104E74-L96 HydrophobicContact CB-CD2 4.26Å; E74-L96 HydrophobicContact CG-CD2 4.14Å; L77-L96 HydrophobicContact CB-CD2 3.93Å; L77-L96 HydrophobicContact CD1-CD2 3.74Å; I78-L96 HydrophobicContact CD1-CD1 4.16Å; I78-L96 HydrophobicContact CG1-CD1 3.47Å; I78-L96 VanDerWaalsContact CG1-CD1 3.47Å; I92-L96 HydrophobicContact CG2-CD1 3.99Å; A93-L96 PolarHBondContact O-N 3.4Å; A93-L96 VanDerWaalsContact O-N 3.11Å; L96-G98 PolarHBondContact O-N 3.23Å; L96-R99 HydrophobicContact CB-CB 3.99Å; L96-R99 HydrophobicContact CB-CG 4.24Å; L96-R99 PolarHBondContact O-N 3.46Å; L96-I104 HydrophobicContact CB-CD1 4.29Å; L96-I104 HydrophobicContact CD1-CD1 3.66Å; L96-I104 HydrophobicContact CD1-CG1 4.01Å
97P96.4Very high97.7Very high109 Ų10952.7 Ų52.771%0.70829%0.286SS*.THydrogen-bonded Turntrans-58.8131-173.324.4-33.7000111.2K66 R99K66-P97 WeakPolarHBondContact CD-O 3.32Å; P97-R99 VanDerWaalsContact C-N 3.26Å; P97-R99 PolarHBondContact O-N 3.08Å
98G96.9Very high97.8Very high11 Ų1148.4 Ų48.411%0.11326%0.264CS..THydrogen-bonded Turntrans762.6-178.800000115.7D64 K66 L96D64-G98 WeakPolarHBondContact O-CA 3.32Å; K66-G98 PolarHBondContact N-O 2.77Å; L96-G98 PolarHBondContact O-N 3.23Å
99R98Very high97.8Very high10 Ų1046.1 Ų46.14%0.03826%0.257CS..  trans-102.2141168.6-60.7-60.4-173.8174.24.2110.7G68 N69 F70 E74 L96 P97 I104G68-R99 PolarHBondContact O-NH1 3.44Å; N69-R99 PolarHBondContact O-NH2 2.94Å; F70-R99 HydrophobicContact CE1-CB 4.47Å; F70-R99 HydrophobicContact CE1-CG 3.92Å; F70-R99 HydrophobicContact CZ-CG 4.43Å; E74-R99 IonicContact OE1-CZ 2.64Å; E74-R99 IonicContact OE1-NE 3.78Å; E74-R99 PolarHBondContact OE1-NE 2.78Å; E74-R99 IonicContact OE1-NH2 3.06Å; E74-R99 IonicContact OE2-CZ 3.03Å; E74-R99 IonicContact OE2-NE 3.5Å; E74-R99 PolarHBondContact OE2-NE 3.49Å; E74-R99 IonicContact OE2-NH2 3.36Å; E74-R99 PolarHBondContact OE2-NH2 2.88Å; L96-R99 HydrophobicContact CB-CB 3.99Å; L96-R99 HydrophobicContact CB-CG 4.24Å; L96-R99 PolarHBondContact O-N 3.46Å; P97-R99 VanDerWaalsContact C-N 3.26Å; P97-R99 PolarHBondContact O-N 3.08Å; R99-I104 HydrophobicContact CB-CD1 4.13Å; R99-I104 HydrophobicContact CB-CG1 4.19Å
100T98Very high97.7Very high9 Ų947.8 Ų47.86%0.05527%0.272CS..  trans-93.5157176.862.30000111.6L65 N102 E103 I104L65-T100 HydrophobicContact CD2-CG2 3.37Å; T100-N102 PolarHBondContact O-N 3.37Å; T100-E103 WeakPolarHBondContact CB-OE2 3.17Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.41Å; T100-E103 PolarHBondContact N-OE2 3.28Å; T100-E103 PolarHBondContact O-N 2.95Å; T100-E103 WeakPolarHBondContact OG1-CB 3.48Å; T100-E103 WeakPolarHBondContact OG1-CG 3.44Å; T100-E103 PolarHBondContact OG1-N 2.73Å; T100-E103 VanDerWaalsContact OG1-N 3.17Å; T100-E103 PolarHBondContact OG1-OE2 3.07Å; T100-I104 WeakPolarHBondContact O-CD1 3.4Å; T100-I104 VanDerWaalsContact O-CG1 3.31Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 3.03Å
101D98Very high97.7Very high55 Ų5548.2 Ų48.229%0.29426%0.264SS..Hα-helixtrans-59.6-37.3174.363.4-27.1000112.2W89 S90 A93 K105W89-D101 HydrophobicContact CB-CB 3.8Å; S90-D101 PolarHBondContact OG-OD2 3.22Å; A93-D101 HydrophobicContact CB-CB 4.05Å; D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 3.37Å
102N98Very high97.7Very high40 Ų4044.4 Ų44.421%0.21424%0.244CC..Hα-helixtrans-64.9-43.7174.7-172.164000112.4N59 T100 K105 N106N59-N102 WeakPolarHBondContact OD1-CB 3.47Å; T100-N102 PolarHBondContact O-N 3.37Å; N102-K105 WeakPolarHBondContact OD1-CE 3.12Å; N102-K105 PolarHBondContact OD1-NZ 2.9Å; N102-N106 WeakPolarHBondContact O-CB 2.88Å; N102-N106 PolarHBondContact O-N 3.32Å; N102-N106 PolarHBondContact O-ND2 3.41Å; N102-N106 PolarHBondContact O-OD1 3.35Å
103E98.2Very high97.6Very high40 Ų4047.7 Ų47.719%0.18726%0.259CS..Hα-helixtrans-61.8-47.5175.3-74.8167.8125.300111.5F70 T100 K105 N106 Y107F70-E103 HydrophobicContact CE2-CB 4.47Å; F70-E103 HydrophobicContact CZ-CB 4.04Å; T100-E103 WeakPolarHBondContact CB-OE2 3.17Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.41Å; T100-E103 PolarHBondContact N-OE2 3.28Å; T100-E103 PolarHBondContact O-N 2.95Å; T100-E103 WeakPolarHBondContact OG1-CB 3.48Å; T100-E103 WeakPolarHBondContact OG1-CG 3.44Å; T100-E103 PolarHBondContact OG1-N 2.73Å; T100-E103 VanDerWaalsContact OG1-N 3.17Å; T100-E103 PolarHBondContact OG1-OE2 3.07Å; E103-K105 PolarHBondContact O-N 3.46Å; E103-N106 PolarHBondContact O-N 3.45Å; E103-Y107 VanDerWaalsContact O-CB 3.26Å; E103-Y107 WeakPolarHBondContact O-CB 3.49Å; E103-Y107 PolarHBondContact O-N 2.96Å
104I98.5Very high97.5Very high0 Ų054.7 Ų54.70%028%0.281CS..Hα-helixtrans-61.8-47.4-179.4-66.5158.3000110.7F70 I78 W89 I92 A93 L96 R99 T100 N106 Y107 W108F70-I104 HydrophobicContact CE1-CG1 4.25Å; F70-I104 HydrophobicContact CZ-CG1 4.41Å; I78-I104 HydrophobicContact CD1-CG1 4.45Å; I78-I104 HydrophobicContact CD1-CG2 4.19Å; I78-I104 HydrophobicContact CG1-CG2 4.07Å; I78-I104 HydrophobicContact CG2-CG2 4.17Å; W89-I104 HydrophobicContact CE3-CG2 3.8Å; W89-I104 HydrophobicContact CZ3-CG2 4.13Å; I92-I104 HydrophobicContact CG2-CD1 4.36Å; I92-I104 HydrophobicContact CG2-CG2 4.11Å; A93-I104 VanDerWaalsContact CA-CD1 3.47Å; A93-I104 HydrophobicContact CB-CD1 3.76Å; L96-I104 HydrophobicContact CB-CD1 4.29Å; L96-I104 HydrophobicContact CD1-CD1 3.66Å; L96-I104 HydrophobicContact CD1-CG1 4.01Å; R99-I104 HydrophobicContact CB-CD1 4.13Å; R99-I104 HydrophobicContact CB-CG1 4.19Å; T100-I104 WeakPolarHBondContact O-CD1 3.4Å; T100-I104 VanDerWaalsContact O-CG1 3.31Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 3.03Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.01Å; I104-Y107 PolarHBondContact O-N 3.25Å; I104-W108 WeakPolarHBondContact O-CB 3.35Å; I104-W108 PolarHBondContact O-N 2.81Å
105K98.2Very high97.5Very high70 Ų7054 Ų5430%0.30426%0.26SS..Hα-helixtrans-56.2-46.4174.9175.1-167.769.9-170.10111.5W89 D101 N102 E103 N109W89-K105 HydrophobicContact CD2-CB 3.81Å; W89-K105 HydrophobicContact CD2-CG 4.35Å; W89-K105 HydrophobicContact CE3-CB 4.47Å; W89-K105 HydrophobicContact CG-CB 3.8Å; W89-K105 HydrophobicContact CG-CG 4.36Å; W89-K105 HydrophobicContact CZ2-CG 4.43Å; D101-K105 VanDerWaalsContact O-CB 3.24Å; D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 3.37Å; N102-K105 WeakPolarHBondContact OD1-CE 3.12Å; N102-K105 PolarHBondContact OD1-NZ 2.9Å; E103-K105 PolarHBondContact O-N 3.46Å; K105-N109 PolarHBondContact O-N 3.45Å; K105-N109 VanDerWaalsContact O-N 3.13Å; K105-N109 PolarHBondContact O-ND2 2.75Å; K105-N109 VanDerWaalsContact O-ND2 3.11Å
106N98.1Very high97.4Very high74 Ų7446.7 Ų46.740%0.39623%0.232SC..Hα-helixtrans-65.2-45.2-179.8-71.3-12000110.9N102 E103 I104 W108 N109 T110N102-N106 WeakPolarHBondContact O-CB 2.88Å; N102-N106 PolarHBondContact O-N 3.32Å; N102-N106 PolarHBondContact O-ND2 3.41Å; N102-N106 PolarHBondContact O-OD1 3.35Å; E103-N106 PolarHBondContact O-N 3.45Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.01Å; N106-W108 VanDerWaalsContact C-N 3.34Å; N106-W108 PolarHBondContact O-N 3.36Å; N106-N109 PolarHBondContact O-N 2.77Å; N106-T110 WeakPolarHBondContact O-CB 3.4Å; N106-T110 WeakPolarHBondContact O-CG2 3.46Å; N106-T110 PolarHBondContact O-N 2.94Å; N106-T110 PolarHBondContact O-OG1 3.01Å
107Y98.2Very high97.3Very high33 Ų3351.1 Ų51.113%0.12926%0.256CS..Hα-helixtrans-63.8-40.3179.7-172.8-111.1000112.1F70 D75 I78 E103 I104 N109 T110 H111 I112F70-Y107 HydrophobicContact CB-CD1 4.15Å; F70-Y107 HydrophobicContact CB-CD2 4.35Å; F70-Y107 HydrophobicContact CB-CE1 3.61Å; F70-Y107 HydrophobicContact CB-CE2 3.86Å; F70-Y107 HydrophobicContact CB-CG 4.47Å; F70-Y107 VanDerWaalsContact CB-CZ 3.46Å; F70-Y107 AromaticContact CD1-CD1 3.97Å; F70-Y107 HydrophobicContact CD1-CD1 3.97Å; F70-Y107 HydrophobicContact CD1-CE1 4.17Å; F70-Y107 HydrophobicContact CD1-CG 4.35Å; F70-Y107 AromaticContact CD2-CD1 3.8Å; F70-Y107 HydrophobicContact CD2-CD1 3.8Å; F70-Y107 AromaticContact CD2-CD2 3.37Å; F70-Y107 HydrophobicContact CD2-CD2 3.37Å; F70-Y107 HydrophobicContact CD2-CE1 4.1Å; F70-Y107 AromaticContact CD2-CE2 3.74Å; F70-Y107 HydrophobicContact CD2-CE2 3.74Å; F70-Y107 AromaticContact CD2-CG 3.4Å; F70-Y107 HydrophobicContact CD2-CG 3.4Å; F70-Y107 VanDerWaalsContact CD2-CG 3.4Å; F70-Y107 HydrophobicContact CE1-CD1 4.31Å; F70-Y107 HydrophobicContact CE1-CG 4.5Å; F70-Y107 HydrophobicContact CE2-CD1 4.16Å; F70-Y107 AromaticContact CE2-CD2 3.86Å; F70-Y107 HydrophobicContact CE2-CD2 3.86Å; F70-Y107 AromaticContact CE2-CG 3.58Å; F70-Y107 HydrophobicContact CE2-CG 3.58Å; F70-Y107 AromaticContact CG-CD1 3.69Å; F70-Y107 HydrophobicContact CG-CD1 3.69Å; F70-Y107 AromaticContact CG-CD2 3.99Å; F70-Y107 HydrophobicContact CG-CD2 3.99Å; F70-Y107 AromaticContact CG-CE1 3.7Å; F70-Y107 HydrophobicContact CG-CE1 3.7Å; F70-Y107 HydrophobicContact CG-CE2 4.03Å; F70-Y107 AromaticContact CG-CG 3.82Å; F70-Y107 HydrophobicContact CG-CG 3.82Å; F70-Y107 AromaticContact CG-CZ 3.88Å; F70-Y107 HydrophobicContact CZ-CD1 4.39Å; F70-Y107 HydrophobicContact CZ-CG 4.13Å; D75-Y107 WeakPolarHBondContact OD1-CE1 3.42Å; D75-Y107 PolarHBondContact OD1-OH 3.29Å; D75-Y107 PolarHBondContact OD2-OH 2.76Å; I78-Y107 HydrophobicContact CD1-CD1 3.81Å; I78-Y107 HydrophobicContact CD1-CE1 4.29Å; E103-Y107 VanDerWaalsContact O-CB 3.26Å; E103-Y107 WeakPolarHBondContact O-CB 3.49Å; E103-Y107 PolarHBondContact O-N 2.96Å; I104-Y107 PolarHBondContact O-N 3.25Å; Y107-N109 PolarHBondContact O-N 2.94Å; Y107-T110 PolarHBondContact O-N 3.02Å; Y107-T110 PolarHBondContact O-OG1 3.11Å; Y107-H111 HydrophobicContact CD2-CB 3.9Å; Y107-H111 AromaticContact CD2-CG 3.75Å; Y107-H111 AromaticContact CD2-ND1 3.5Å; Y107-H111 WeakPolarHBondContact CD2-ND1 3.4Å; Y107-H111 HydrophobicContact CE1-CB 4.47Å; Y107-H111 HydrophobicContact CE2-CB 3.53Å; Y107-H111 AromaticContact CE2-CG 3.44Å; Y107-H111 VanDerWaalsContact CE2-CG 3.44Å; Y107-H111 AromaticContact CE2-ND1 3.66Å; Y107-H111 HydrophobicContact CG-CB 4.5Å; Y107-H111 WeakPolarHBondContact O-CA 3.26Å; Y107-H111 WeakPolarHBondContact O-CB 3.44Å; Y107-H111 PolarHBondContact O-N 3.13Å; Y107-I112 HydrophobicContact CD1-CD1 4.17Å; Y107-I112 HydrophobicContact CD1-CG1 3.86Å; Y107-I112 HydrophobicContact CE1-CD1 3.57Å; Y107-I112 HydrophobicContact CE1-CG1 3.77Å; Y107-I112 PolarHBondContact O-N 3.49Å
108W98.4Very high97.2Very high0 Ų050.3 Ų50.30%026%0.258CS..Iπ-helixtrans-55.8-52.1172.1176.1-99.8000112.1I78 I79 H82 W89 I104 N106 T110 I112 K113 L116 P123 H126I78-W108 HydrophobicContact CG2-CE3 3.87Å; I78-W108 HydrophobicContact CG2-CZ3 4.47Å; I79-W108 HydrophobicContact CG1-CZ3 4.5Å; H82-W108 HydrophobicContact CB-CE3 4.24Å; H82-W108 HydrophobicContact CB-CH2 3.95Å; H82-W108 HydrophobicContact CB-CZ3 3.71Å; H82-W108 AromaticContact CD2-CE2 3.86Å; H82-W108 AromaticContact CD2-CZ2 3.83Å; H82-W108 AromaticContact CE1-CE2 3.84Å; H82-W108 AromaticContact CE1-CH2 3.64Å; H82-W108 AromaticContact CE1-CZ2 3.2Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.31Å; H82-W108 AromaticContact CG-CH2 3.44Å; H82-W108 VanDerWaalsContact CG-CH2 3.44Å; H82-W108 AromaticContact CG-CZ2 3.64Å; H82-W108 AromaticContact CG-CZ3 3.65Å; H82-W108 AromaticContact ND1-CH2 3.11Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.36Å; H82-W108 AromaticContact ND1-CZ2 3.22Å; H82-W108 WeakPolarHBondContact ND1-CZ2 2.98Å; H82-W108 AromaticContact ND1-CZ3 3.83Å; H82-W108 AromaticContact NE2-CE2 3.72Å; H82-W108 AromaticContact NE2-CZ2 3.57Å; H82-W108 AromaticContact NE2-NE1 3.88Å; W89-W108 HydrophobicContact CH2-CB 3.78Å; W89-W108 AromaticContact CH2-CD1 3.47Å; W89-W108 VanDerWaalsContact CH2-CD1 3.47Å; W89-W108 AromaticContact CH2-CD2 3.94Å; W89-W108 HydrophobicContact CH2-CD2 3.94Å; W89-W108 AromaticContact CH2-CG 3.45Å; W89-W108 HydrophobicContact CH2-CG 3.45Å; W89-W108 VanDerWaalsContact CH2-CG 3.45Å; W89-W108 AromaticContact CH2-NE1 3.92Å; W89-W108 AromaticContact CZ2-CD1 3.95Å; W89-W108 HydrophobicContact CZ2-CG 4.3Å; W89-W108 HydrophobicContact CZ3-CB 4.06Å; W89-W108 HydrophobicContact CZ3-CD2 4.45Å; W89-W108 HydrophobicContact CZ3-CG 4.09Å; I104-W108 WeakPolarHBondContact O-CB 3.35Å; I104-W108 PolarHBondContact O-N 2.81Å; N106-W108 VanDerWaalsContact C-N 3.34Å; N106-W108 PolarHBondContact O-N 3.36Å; W108-T110 VanDerWaalsContact C-N 3.32Å; W108-T110 PolarHBondContact O-N 3.04Å; W108-I112 HydrophobicContact CD2-CB 4.3Å; W108-I112 HydrophobicContact CD2-CG2 4.3Å; W108-I112 HydrophobicContact CE3-CB 3.71Å; W108-I112 HydrophobicContact CE3-CG1 4.24Å; W108-I112 HydrophobicContact CE3-CG2 3.41Å; W108-I112 VanDerWaalsContact CE3-CG2 3.41Å; W108-I112 HydrophobicContact CH2-CG2 4.06Å; W108-I112 HydrophobicContact CZ3-CB 4.13Å; W108-I112 HydrophobicContact CZ3-CG2 3.29Å; W108-I112 PolarHBondContact O-N 3.06Å; W108-K113 HydrophobicContact CZ2-CG 4.44Å; W108-K113 WeakPolarHBondContact O-CG 3.35Å; W108-K113 PolarHBondContact O-N 2.71Å; W108-K113 VanDerWaalsContact O-N 3.1Å; W108-L116 HydrophobicContact CH2-CD1 3.86Å; W108-L116 HydrophobicContact CZ3-CD1 4.32Å; W108-P123 WeakPolarHBondContact CH2-O 3.24Å; W108-P123 HydrophobicContact CZ2-CB 4.13Å; W108-P123 WeakPolarHBondContact CZ2-O 3.38Å; W108-H126 AromaticContact CH2-CE1 3.57Å
109N97.5Very high97.1Very high81 Ų8156.5 Ų56.543%0.43328%0.278SS..Iπ-helixtrans-68.9-29-176.9-74.4-39.5000113.6K105 N106 Y107 K113K105-N109 PolarHBondContact O-N 3.45Å; K105-N109 VanDerWaalsContact O-N 3.13Å; K105-N109 PolarHBondContact O-ND2 2.75Å; K105-N109 VanDerWaalsContact O-ND2 3.11Å; N106-N109 PolarHBondContact O-N 2.77Å; Y107-N109 PolarHBondContact O-N 2.94Å; N109-K113 WeakPolarHBondContact OD1-CE 3.45Å; N109-K113 PolarHBondContact OD1-NZ 2.68Å
110T96.6Very high96.9Very high70 Ų7057.6 Ų57.643%0.42929%0.292SS..Iπ-helixtrans-96.5-34.7-175.451.10000113.2N106 Y107 W108 R114N106-T110 WeakPolarHBondContact O-CB 3.4Å; N106-T110 WeakPolarHBondContact O-CG2 3.46Å; N106-T110 PolarHBondContact O-N 2.94Å; N106-T110 PolarHBondContact O-OG1 3.01Å; Y107-T110 PolarHBondContact O-N 3.02Å; Y107-T110 PolarHBondContact O-OG1 3.11Å; W108-T110 VanDerWaalsContact C-N 3.32Å; W108-T110 PolarHBondContact O-N 3.04Å; T110-R114 VanDerWaalsContact O-CZ 3.27Å; T110-R114 PolarHBondContact O-NE 3.38Å; T110-R114 PolarHBondContact O-NH2 3.31Å
111H97.3Very high96.7Very high91 Ų9159.8 Ų59.842%0.42130%0.302SS..Iπ-helixtrans-119.5-58.8-170.7-63.479.1000112.5Y107 K113 R114 K115Y107-H111 HydrophobicContact CD2-CB 3.9Å; Y107-H111 AromaticContact CD2-CG 3.75Å; Y107-H111 AromaticContact CD2-ND1 3.5Å; Y107-H111 WeakPolarHBondContact CD2-ND1 3.4Å; Y107-H111 HydrophobicContact CE1-CB 4.47Å; Y107-H111 HydrophobicContact CE2-CB 3.53Å; Y107-H111 AromaticContact CE2-CG 3.44Å; Y107-H111 VanDerWaalsContact CE2-CG 3.44Å; Y107-H111 AromaticContact CE2-ND1 3.66Å; Y107-H111 HydrophobicContact CG-CB 4.5Å; Y107-H111 WeakPolarHBondContact O-CA 3.26Å; Y107-H111 WeakPolarHBondContact O-CB 3.44Å; Y107-H111 PolarHBondContact O-N 3.13Å; H111-K113 PolarHBondContact O-N 3.27Å; H111-R114 PolarHBondContact O-N 2.96Å; H111-K115 PolarHBondContact O-N 2.8Å
112I97.6Very high96.5Very high0 Ų059.5 Ų59.50%030%0.301CS..Iπ-helixtrans-61.7-44.1-170.4-59.4-63.5000112.4D75 I78 I79 Y107 W108 R114 K115 L116D75-I112 HydrophobicContact CB-CD1 3.94Å; I78-I112 HydrophobicContact CG2-CG1 4.35Å; I79-I112 HydrophobicContact CD1-CD1 4.41Å; I79-I112 HydrophobicContact CD1-CG2 4.11Å; I79-I112 HydrophobicContact CG1-CD1 4.42Å; I79-I112 HydrophobicContact CG1-CG2 3.57Å; Y107-I112 HydrophobicContact CD1-CD1 4.17Å; Y107-I112 HydrophobicContact CD1-CG1 3.86Å; Y107-I112 HydrophobicContact CE1-CD1 3.57Å; Y107-I112 HydrophobicContact CE1-CG1 3.77Å; Y107-I112 PolarHBondContact O-N 3.49Å; W108-I112 HydrophobicContact CD2-CB 4.3Å; W108-I112 HydrophobicContact CD2-CG2 4.3Å; W108-I112 HydrophobicContact CE3-CB 3.71Å; W108-I112 HydrophobicContact CE3-CG1 4.24Å; W108-I112 HydrophobicContact CE3-CG2 3.41Å; W108-I112 VanDerWaalsContact CE3-CG2 3.41Å; W108-I112 HydrophobicContact CH2-CG2 4.06Å; W108-I112 HydrophobicContact CZ3-CB 4.13Å; W108-I112 HydrophobicContact CZ3-CG2 3.29Å; W108-I112 PolarHBondContact O-N 3.06Å; I112-R114 VanDerWaalsContact C-N 3.32Å; I112-R114 PolarHBondContact O-N 2.79Å; I112-K115 WeakPolarHBondContact O-CB 3.24Å; I112-K115 PolarHBondContact O-N 2.63Å; I112-K115 VanDerWaalsContact O-N 3.09Å; I112-L116 HydrophobicContact CG2-CD1 3.9Å; I112-L116 HydrophobicContact CG2-CG 4.12Å; I112-L116 WeakPolarHBondContact O-CG 3.46Å; I112-L116 PolarHBondContact O-N 3.32Å
113K96.3Very high96.4Very high69 Ų6958.1 Ų58.130%0.329%0.294SS..Hα-helixtrans-54.5-46.7177-75.2-177.9177.2172.40112.2W108 N109 H111 L116 L117 P123W108-K113 HydrophobicContact CZ2-CG 4.44Å; W108-K113 WeakPolarHBondContact O-CG 3.35Å; W108-K113 PolarHBondContact O-N 2.71Å; W108-K113 VanDerWaalsContact O-N 3.1Å; N109-K113 WeakPolarHBondContact OD1-CE 3.45Å; N109-K113 PolarHBondContact OD1-NZ 2.68Å; H111-K113 PolarHBondContact O-N 3.27Å; K113-L116 PolarHBondContact O-N 2.84Å; K113-L117 VanDerWaalsContact O-CG 3.3Å; K113-L117 WeakPolarHBondContact O-CG 3.15Å; K113-L117 PolarHBondContact O-N 3.24Å; K113-L117 VanDerWaalsContact O-N 3.08Å; K113-P123 HydrophobicContact CB-CB 4.3Å; K113-P123 HydrophobicContact CB-CG 4.19Å; K113-P123 HydrophobicContact CG-CB 3.87Å; K113-P123 HydrophobicContact CG-CG 4.27Å
114R96.4Very high96.1Very high165 Ų16561.2 Ų61.262%0.62331%0.309SS*.Hα-helixtrans-65.1-41.3176.6-81.1-173.3-62.7147.11.9111.9T110 H111 I112 L116 L117 A118T110-R114 VanDerWaalsContact O-CZ 3.27Å; T110-R114 PolarHBondContact O-NE 3.38Å; T110-R114 PolarHBondContact O-NH2 3.31Å; H111-R114 PolarHBondContact O-N 2.96Å; I112-R114 VanDerWaalsContact C-N 3.32Å; I112-R114 PolarHBondContact O-N 2.79Å; R114-L116 VanDerWaalsContact C-N 3.34Å; R114-L116 PolarHBondContact O-N 2.7Å; R114-L117 PolarHBondContact O-N 3.42Å; R114-A118 WeakPolarHBondContact O-CB 3.19Å; R114-A118 PolarHBondContact O-N 2.97Å
115K95.7Very high95.8Very high49 Ų4964.6 Ų64.621%0.21333%0.33CS..Hα-helixtrans-59.8-42.9177.9-169.5-179-174.6-177.70111.7D75 H111 I112 R119D75-K115 IonicContact OD2-NZ 3.16Å; D75-K115 PolarHBondContact OD2-NZ 3.03Å; H111-K115 PolarHBondContact O-N 2.8Å; I112-K115 WeakPolarHBondContact O-CB 3.24Å; I112-K115 PolarHBondContact O-N 2.63Å; I112-K115 VanDerWaalsContact O-N 3.09Å; K115-R119 WeakPolarHBondContact O-CG 3.1Å; K115-R119 PolarHBondContact O-N 3.03Å
116L96.2Very high95.4Very high1 Ų162.4 Ų62.41%0.00532%0.32CS..Hα-helixtrans-68.6-46.5178-68.6176.6000111.7I79 W108 I112 K113 R114 A118 R119 G120 M121 P123I79-L116 HydrophobicContact CD1-CD2 4.09Å; I79-L116 HydrophobicContact CG1-CD2 4.45Å; I79-L116 HydrophobicContact CG2-CD2 4.38Å; W108-L116 HydrophobicContact CH2-CD1 3.86Å; W108-L116 HydrophobicContact CZ3-CD1 4.32Å; I112-L116 HydrophobicContact CG2-CD1 3.9Å; I112-L116 HydrophobicContact CG2-CG 4.12Å; I112-L116 WeakPolarHBondContact O-CG 3.46Å; I112-L116 PolarHBondContact O-N 3.32Å; K113-L116 PolarHBondContact O-N 2.84Å; R114-L116 VanDerWaalsContact C-N 3.34Å; R114-L116 PolarHBondContact O-N 2.7Å; L116-A118 VanDerWaalsContact C-N 3.33Å; L116-A118 PolarHBondContact O-N 2.97Å; L116-R119 CarbonylContact O-C 3.47Å; L116-R119 WeakPolarHBondContact O-CA 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.12Å; L116-R119 PolarHBondContact O-N 2.9Å; L116-G120 PolarHBondContact O-N 2.92Å; L116-M121 CarbonylContact C-O 3.23Å; L116-M121 VanDerWaalsContact C-O 3.23Å; L116-M121 HydrophobicContact CB-CB 4.28Å; L116-M121 HydrophobicContact CD2-CB 4.36Å; L116-M121 HydrophobicContact CD2-CE 3.58Å; L116-M121 HydrophobicContact CD2-SD 4.39Å; L116-M121 PolarHBondContact O-N 3.44Å; L116-P123 HydrophobicContact CB-CG 4.21Å; L116-P123 HydrophobicContact CD1-CB 4.13Å
117L95Very high95.2Very high97 Ų9767.4 Ų67.451%0.50833%0.334SS..Hα-helixtrans-60.5-41.6177.4-70.6170000112.3K113 R114 R119 G120 M121 P123K113-L117 VanDerWaalsContact O-CG 3.3Å; K113-L117 WeakPolarHBondContact O-CG 3.15Å; K113-L117 PolarHBondContact O-N 3.24Å; K113-L117 VanDerWaalsContact O-N 3.08Å; R114-L117 PolarHBondContact O-N 3.42Å; L117-R119 PolarHBondContact O-N 3.29Å; L117-G120 PolarHBondContact O-N 3.34Å; L117-M121 PolarHBondContact N-O 3.36Å; L117-P123 HydrophobicContact CD1-CG 4.35Å; L117-P123 HydrophobicContact CD2-CG 4.09Å; L117-P123 HydrophobicContact CG-CG 3.82Å
118A94.7Very high94.9Very high91 Ų9170.9 Ų70.975%0.75236%0.36SS*.Hα-helixtrans-63.4-25.2175.900000113.1R114 L116 G120R114-A118 WeakPolarHBondContact O-CB 3.19Å; R114-A118 PolarHBondContact O-N 2.97Å; L116-A118 VanDerWaalsContact C-N 3.33Å; L116-A118 PolarHBondContact O-N 2.97Å; A118-G120 VanDerWaalsContact C-N 3.33Å
119R94.2Very high94.3Very high142 Ų14275.4 Ų75.454%0.53638%0.384SS..THydrogen-bonded Turntrans-89.95.4173.8-66.9173.5177.9-169.7-5.3113K115 L116 L117 M121K115-R119 WeakPolarHBondContact O-CG 3.1Å; K115-R119 PolarHBondContact O-N 3.03Å; L116-R119 CarbonylContact O-C 3.47Å; L116-R119 WeakPolarHBondContact O-CA 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.12Å; L116-R119 PolarHBondContact O-N 2.9Å; L117-R119 PolarHBondContact O-N 3.29Å; R119-M121 VanDerWaalsContact C-N 3.33Å; R119-M121 HydrophobicContact CB-CE 3.7Å; R119-M121 HydrophobicContact CG-CE 4.38Å
120G93.9Very high93.4Very high33 Ų3375.9 Ų75.934%0.3440%0.399SS..THydrogen-bonded Turntrans6928.6-176.800000113.6L116 L117 A118 P128 L129L116-G120 PolarHBondContact O-N 2.92Å; L117-G120 PolarHBondContact O-N 3.34Å; A118-G120 VanDerWaalsContact C-N 3.33Å; G120-P128 CarbonylContact O-C 3.57Å; G120-P128 WeakPolarHBondContact O-CA 3.47Å; G120-L129 WeakPolarHBondContact O-CD1 3.36Å; G120-L129 PolarHBondContact O-N 3.19Å
121M94.3Very high91.6Very high54 Ų5477.8 Ų77.827%0.26642%0.415SS..BIsolated β-bridgetrans-113.1140.6176.2-67-174.5-76.200111.5L116 L117 R119 P123 R127 L129L116-M121 CarbonylContact C-O 3.23Å; L116-M121 VanDerWaalsContact C-O 3.23Å; L116-M121 HydrophobicContact CB-CB 4.28Å; L116-M121 HydrophobicContact CD2-CB 4.36Å; L116-M121 HydrophobicContact CD2-CE 3.58Å; L116-M121 HydrophobicContact CD2-SD 4.39Å; L116-M121 PolarHBondContact O-N 3.44Å; L117-M121 PolarHBondContact N-O 3.36Å; R119-M121 VanDerWaalsContact C-N 3.33Å; R119-M121 HydrophobicContact CB-CE 3.7Å; R119-M121 HydrophobicContact CG-CE 4.38Å; M121-P123 WeakPolarHBondContact O-CD 3.14Å; M121-R127 WeakPolarHBondContact CA-O 3.28Å; M121-L129 WeakPolarHBondContact O-CD1 3.46Å
122D93.6Very high89.4Confident50 Ų5078.1 Ų78.127%0.26743%0.434SS..  trans-79.6120.6179.8169.15.7000108.7Q124 T125 H126 R127 L129D122-Q124 PolarHBondContact O-N 3.16Å; D122-Q124 VanDerWaalsContact O-N 3.15Å; D122-Q124 PolarHBondContact OD1-N 3.01Å; D122-T125 WeakPolarHBondContact CB-OG1 3.22Å; D122-T125 VanDerWaalsContact CG-OG1 3.26Å; D122-T125 PolarHBondContact O-N 2.81Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.47Å; D122-T125 PolarHBondContact OD2-OG1 3.12Å; D122-H126 WeakPolarHBondContact O-CA 3.27Å; D122-H126 PolarHBondContact O-N 3.49Å; D122-R127 PolarHBondContact N-O 3.28Å; D122-L129 HydrophobicContact CB-CD1 3.89Å; D122-L129 HydrophobicContact CB-CG 4.48Å
123P94.3Very high86.9Confident11 Ų1183.9 Ų83.97%0.07147%0.469CS..THydrogen-bonded Turntrans-61.7-23-178.3-22.232.7000115.1W108 K113 L116 L117 M121W108-P123 WeakPolarHBondContact CH2-O 3.24Å; W108-P123 HydrophobicContact CZ2-CB 4.13Å; W108-P123 WeakPolarHBondContact CZ2-O 3.38Å; K113-P123 HydrophobicContact CB-CB 4.3Å; K113-P123 HydrophobicContact CB-CG 4.19Å; K113-P123 HydrophobicContact CG-CB 3.87Å; K113-P123 HydrophobicContact CG-CG 4.27Å; L116-P123 HydrophobicContact CB-CG 4.21Å; L116-P123 HydrophobicContact CD1-CB 4.13Å; L117-P123 HydrophobicContact CD1-CG 4.35Å; L117-P123 HydrophobicContact CD2-CG 4.09Å; L117-P123 HydrophobicContact CG-CG 3.82Å; M121-P123 WeakPolarHBondContact O-CD 3.14Å
124Q92Very high84.3Confident105 Ų10585.7 Ų85.749%0.49150%0.497SS..THydrogen-bonded Turntrans-85.5-45179.9-67.8-57.6-77.200112.2D122D122-Q124 PolarHBondContact O-N 3.16Å; D122-Q124 VanDerWaalsContact O-N 3.15Å; D122-Q124 PolarHBondContact OD1-N 3.01Å
125T92.1Very high81.6Confident71 Ų7180.5 Ų80.544%0.43650%0.495SS..THydrogen-bonded Turntrans-94.8-14.5-175.562.60000113.5D122 R127D122-T125 WeakPolarHBondContact CB-OG1 3.22Å; D122-T125 VanDerWaalsContact CG-OG1 3.26Å; D122-T125 PolarHBondContact O-N 2.81Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.47Å; D122-T125 PolarHBondContact OD2-OG1 3.12Å; T125-R127 PolarHBondContact O-N 3.09Å; T125-R127 VanDerWaalsContact O-N 3.14Å; T125-R127 PolarHBondContact OG1-N 2.65Å
126H91.8Very high79.1Confident23 Ų2387 Ų8711%0.10653%0.526CS..  trans54.221.2-170.6-57.2-97.5000114.1I79 H82 E83 W108 D122I79-H126 PolarHBondContact O-CE1 2.7Å; I79-H126 VanDerWaalsContact O-CE1 3.27Å; H82-H126 AromaticContact CE1-NE2 3.96Å; H82-H126 AromaticContact CG-NE2 3.76Å; H82-H126 AromaticContact ND1-CE1 3.52Å; H82-H126 AromaticContact ND1-NE2 2.92Å; H82-H126 PolarHBondContact ND1-NE2 3.2Å; E83-H126 VanDerWaalsContact CA-CD2 3.44Å; E83-H126 WeakPolarHBondContact CA-CD2 3.43Å; E83-H126 VanDerWaalsContact CA-NE2 3.27Å; E83-H126 WeakPolarHBondContact CA-NE2 3.22Å; E83-H126 HydrophobicContact CB-CB 4.48Å; E83-H126 HydrophobicContact CG-CB 4.14Å; E83-H126 PolarHBondContact N-NE2 3.22Å; W108-H126 AromaticContact CH2-CE1 3.57Å; D122-H126 WeakPolarHBondContact O-CA 3.27Å; D122-H126 PolarHBondContact O-N 3.49Å
127R92Very high76.3Confident180 Ų18093.6 Ų93.668%0.67956%0.557SS**SBendtrans-95152.1176.5-66.5-177-178.8178.2-0.2110.4M121 D122 T125 L129M121-R127 WeakPolarHBondContact CA-O 3.28Å; D122-R127 PolarHBondContact N-O 3.28Å; T125-R127 PolarHBondContact O-N 3.09Å; T125-R127 VanDerWaalsContact O-N 3.14Å; T125-R127 PolarHBondContact OG1-N 2.65Å; R127-L129 PolarHBondContact O-N 3.14Å
128P92.1Very high73.8Confident105 Ų10596 Ų9668%0.68257%0.565SS**BIsolated β-bridgetrans-55.5131.5168.9-22.633.5000109.9G120 A130G120-P128 CarbonylContact O-C 3.57Å; G120-P128 WeakPolarHBondContact O-CA 3.47Å; P128-A130 PolarHBondContact O-N 3.04Å
129L86.4Confident71Confident95 Ų95100.8 Ų100.850%0.49757%0.565SS.*  trans-63.9109.3164.2-7883.6000105G120 M121 D122 R127 S131G120-L129 WeakPolarHBondContact O-CD1 3.36Å; G120-L129 PolarHBondContact O-N 3.19Å; M121-L129 WeakPolarHBondContact O-CD1 3.46Å; D122-L129 HydrophobicContact CB-CD1 3.89Å; D122-L129 HydrophobicContact CB-CG 4.48Å; R127-L129 PolarHBondContact O-N 3.14Å; L129-S131 PolarHBondContact O-N 3.36Å; L129-S131 VanDerWaalsContact O-N 3.12Å
130A78.6Confident68.6Low92 Ų92100.1 Ų100.176%0.7657%0.568SS**  trans-48126.3169.500000107P128 A132P128-A130 PolarHBondContact O-N 3.04Å; A130-A132 PolarHBondContact O-N 3.45Å
131S58.2Low66.2Low109 Ų109106.7 Ų106.776%0.76260%0.595SS**  trans-50104.1-177.3610000107.9L129 T133L129-S131 PolarHBondContact O-N 3.36Å; L129-S131 VanDerWaalsContact O-N 3.12Å; S131-T133 VanDerWaalsContact C-N 3.29Å; S131-T133 PolarHBondContact O-N 3.46Å
132A52.7Low63.7Low98 Ų98112 Ų11281%0.8162%0.619SS**  trans-56.6111.1161.500000103.6A130 A134A130-A132 PolarHBondContact O-N 3.45Å; A132-A134 PolarHBondContact O-N 3.47Å
133T44.4Very low61.6Low122 Ų122117.6 Ų117.675%0.74864%0.643SS**  trans-28.2129.7-177.1-44.70000111.4S131 G135S131-T133 VanDerWaalsContact C-N 3.29Å; S131-T133 PolarHBondContact O-N 3.46Å; T133-G135 PolarHBondContact O-N 2.73Å
134A40.7Very low59.5Low107 Ų107123.5 Ų123.588%0.88468%0.681SS**SBendtrans-38106159.100000109.6A132A132-A134 PolarHBondContact O-N 3.47Å
135G40.2Very low57.6Low56 Ų56125.9 Ų125.958%0.57769%0.692SS**  trans-175.984.2-16900000111.5T133T133-G135 PolarHBondContact O-N 2.73Å
136Q43Very low55.6Low184 Ų184131.2 Ų131.286%0.8671%0.71SS**  trans63.5108.8147.7-56.6167.1-10.700114.7
137Q38Very low53.4Low140 Ų140141.5 Ų141.565%0.65475%0.748SS**  -145.5105.877.9-79.314622.800110.8Y139Q137-Y139 VanDerWaalsContact C-N 3.34Å; Q137-Y139 HydrophobicContact CB-CD2 3.8Å; Q137-Y139 HydrophobicContact CB-CE2 3.45Å; Q137-Y139 VanDerWaalsContact CB-CE2 3.45Å; Q137-Y139 HydrophobicContact CG-CE2 4.29Å; Q137-Y139 WeakPolarHBondContact O-CD2 3.34Å; Q137-Y139 PolarHBondContact O-N 3.42Å; Q137-Y139 VanDerWaalsContact O-N 3.12Å; Q137-Y139 PolarHBondContact OE1-OH 3.24Å
138H42Very low51.3Low147 Ų147137.8 Ų137.868%0.68176%0.755SS**  trans-65.399150.6177.6-118.6000107Q140H138-Q140 VanDerWaalsContact C-N 3.27Å; H138-Q140 PolarHBondContact CE1-OE1 3Å; H138-Q140 PolarHBondContact O-N 3.34Å
139Y37.2Very low49.2Very low192 Ų192137.6 Ų137.675%0.75376%0.763SS**  trans-74.189.2165.2-71.1-91.1000107.6Q137 L141Q137-Y139 VanDerWaalsContact C-N 3.34Å; Q137-Y139 HydrophobicContact CB-CD2 3.8Å; Q137-Y139 HydrophobicContact CB-CE2 3.45Å; Q137-Y139 VanDerWaalsContact CB-CE2 3.45Å; Q137-Y139 HydrophobicContact CG-CE2 4.29Å; Q137-Y139 WeakPolarHBondContact O-CD2 3.34Å; Q137-Y139 PolarHBondContact O-N 3.42Å; Q137-Y139 VanDerWaalsContact O-N 3.12Å; Q137-Y139 PolarHBondContact OE1-OH 3.24Å; Y139-L141 PolarHBondContact O-N 3.22Å
140Q43.3Very low47.1Very low128 Ų128137 Ų13760%0.59878%0.779SS**  trans-78.4105.3168.5-153.4163.211.700107.5H138 Q142H138-Q140 VanDerWaalsContact C-N 3.27Å; H138-Q140 PolarHBondContact CE1-OE1 3Å; H138-Q140 PolarHBondContact O-N 3.34Å; Q140-Q142 PolarHBondContact O-N 2.76Å
141L44.1Very low45.4Very low172 Ų172136.6 Ų136.690%0.90178%0.784SS**  trans-61.1100.1162.7-77.7159000107.4Y139Y139-L141 PolarHBondContact O-N 3.22Å
142Q41.6Very low44.8Very low165 Ų165135.1 Ų135.177%0.77179%0.786SS**  trans-83.8111167.9-74.118026.700108Q140 P144Q140-Q142 PolarHBondContact O-N 2.76Å; Q142-P144 WeakPolarHBondContact O-CD 3.4Å
143E48.3Very low44.4Very low167 Ų167136.7 Ų136.778%0.7879%0.788SS**  trans-66127.3166.4-67.9-164.9119.200110.3Q145E143-Q145 PolarHBondContact O-N 3.37Å
144P51.4Low44.5Very low135 Ų135136.1 Ų136.188%0.87780%0.795SS**  trans-83.6105.7166.6-2.620.9000109.5Q142Q142-P144 WeakPolarHBondContact O-CD 3.4Å
145Q51.9Low44.5Very low155 Ų155134.6 Ų134.672%0.72479%0.79SS**  trans-88.1149.3166.7-73.8-170.5-21.900111.7E143E143-Q145 PolarHBondContact O-N 3.37Å
146K50.1Low45.1Very low184 Ų184140.8 Ų140.880%0.880%0.804SS**  trans90.3122170.2-56.9177.5-178.7178.70112.6
147R45.6Very low45.1Very low239 Ų239138.1 Ų138.190%0.90280%0.802SS**  cis-163.3158.639.1-115156.9-164.1-127.93.4111.1
148A47Very low45.6Very low101 Ų101139.6 Ų139.684%0.83581%0.809SS**  trans-62.2144.1-17700000115.4
149A48.5Very low45.7Very low102 Ų102141.6 Ų141.684%0.84382%0.819SS**  155.7123.9118.500000111.9
150G42.8Very low46Very low82 Ų82139.8 Ų139.885%0.84582%0.822SS**  trans95.9102.8144.600000119
151G41.4Very low46.1Very low83 Ų83142.6 Ų142.686%0.85684%0.835SS**  91.3104125.400000120
152G46.4Very low45.9Very low78 Ų78142 Ų14280%0.80483%0.832SS**  89.2122.3129.300000119.1
153P43.7Very low45.6Very low131 Ų131143 Ų14385%0.85184%0.836SS**  trans-107.2155.1-167.739.9-31.7000114.8
154A47.6Very low45.1Very low110 Ų110140.8 Ų140.891%0.90983%0.834SS**  trans167.5121.7140.900000111.2
155G41.3Very low44.6Very low75 Ų75140.3 Ų140.377%0.77383%0.828SS**  trans161.2127169.300000113.4
156H52.1Low44Very low187 Ų187138 Ų13887%0.86683%0.825SS**PPolyproline II helixtrans-57.9154.4-165.9-60.8-11.6000117.3
157P43.1Very low43.9Very low127 Ų127136 Ų13683%0.82582%0.821SS**PPolyproline II helixtrans-87.1126.7167.133.3-27.1000111.1
158H48.5Very low43.7Very low171 Ų171129.2 Ų129.279%0.79281%0.81SS**PPolyproline II helixtrans-89.3126.3164.2-159.7-90.7000107.3D160H158-D160 PolarHBondContact O-N 3.3Å
159Q44.2Very low43.5Very low190 Ų190131.5 Ų131.589%0.88881%0.808SS**  trans-79.6114.7177.2-86.7174.87.800109.7
160D43.1Very low43.1Very low153 Ų153131.6 Ų131.682%0.81880%0.803SS**PPolyproline II helixtrans-73.6126.8168.5-75.6-40.1000110.5H158H158-D160 PolarHBondContact O-N 3.3Å
161H44.6Very low43.3Very low188 Ų188132.6 Ų132.687%0.8780%0.795SS**PPolyproline II helixtrans-84.9120.5179.5-148.8-72.8000108.6E163H161-E163 PolarHBondContact O-N 3Å
162L39.9Very low43.3Very low160 Ų160136.4 Ų136.484%0.83880%0.796SS**PPolyproline II helixtrans-66.9120.8171.5-80.3162.9000109.9V164L162-V164 PolarHBondContact O-N 3.44Å
163E36.6Very low43.1Very low184 Ų184141.4 Ų141.486%0.8680%0.798SS**PPolyproline II helixtrans-69.6116.8167.7-95.5-171.6129.700110.1H161H161-E163 PolarHBondContact O-N 3Å
164V36.6Very low43Very low122 Ų122139.9 Ų139.974%0.73980%0.797SS**  trans-89.4112.6159.2168.10000107.1L162 V166L162-V164 PolarHBondContact O-N 3.44Å; V164-V166 HydrophobicContact CG1-CG2 4.27Å; V164-V166 PolarHBondContact O-N 2.82Å
165V41.8Very low42.4Very low125 Ų125144.7 Ų144.776%0.75879%0.793SS**  trans-66.797.8171.4179.60000108.5I167V165-I167 PolarHBondContact O-N 3.44Å
166V40Very low42.4Very low107 Ų107146.3 Ų146.365%0.64879%0.792SS**  trans-78.6106.3168.9179.90000107.4V164 S168V164-V166 HydrophobicContact CG1-CG2 4.27Å; V164-V166 PolarHBondContact O-N 2.82Å; V166-S168 VanDerWaalsContact C-N 3.3Å; V166-S168 PolarHBondContact O-N 3.43Å; V166-S168 PolarHBondContact O-OG 3.21Å
167I46.5Very low41.9Very low140 Ų140148.3 Ų148.372%0.71879%0.792SS**  trans-62.698.1166.6-58.8-177.8000107.2V165 N169V165-I167 PolarHBondContact O-N 3.44Å; I167-N169 PolarHBondContact O-N 3.37Å
168S41.3Very low41.8Very low97 Ų97147.6 Ų147.668%0.67879%0.79SS**  trans-81.296.2178.8-65.50000108.6V166 S170V166-S168 VanDerWaalsContact C-N 3.3Å; V166-S168 PolarHBondContact O-N 3.43Å; V166-S168 PolarHBondContact O-OG 3.21Å; S168-S170 PolarHBondContact O-N 3.21Å
169N43.2Very low41.5Very low149 Ų149144 Ų14480%0.79778%0.784SS**  trans-8597.8163.7-76.40.9000108.2I167I167-N169 PolarHBondContact O-N 3.37Å
170S40.7Very low41.5Very low104 Ų104141.8 Ų141.873%0.72778%0.778SS**  trans-55.8133.2174.7-159.20000110.9S168S168-S170 PolarHBondContact O-N 3.21Å
171P47.3Very low41.5Very low104 Ų104142.3 Ų142.368%0.67578%0.781SS**  trans-82.2120.7167.531-25.4000108.6E173P171-E173 PolarHBondContact O-N 3.5Å
172D41Very low41.4Very low163 Ų163141.6 Ų141.687%0.87278%0.778SS**  trans-60.7102.8170.3-87.2-63.6000110.4
173E43.3Very low41.5Very low182 Ų182138.4 Ų138.485%0.8577%0.767SS**  trans-77.6102.7160.1-71.6-88114.500107.9P171P171-E173 PolarHBondContact O-N 3.5Å
174A39.8Very low41.9Very low100 Ų100141.3 Ų141.383%0.82677%0.77SS**  trans-127.784.816700000110.1
175Y35.1Very low42.3Very low211 Ų211141.3 Ų141.383%0.82778%0.776SS**  trans-122.9100.1161.1-179.3-96.3000108.7
176S42.9Very low42.4Very low108 Ų108140.1 Ų140.176%0.75578%0.779SS**  trans-169.7108.6157.8-80.60000107.4
177R41.1Very low42.9Very low229 Ų229141.1 Ų141.186%0.86479%0.785SS**  67.9114.896.9-93.8-176.5171.9166.4-3.3115.4
178S40.5Very low43.4Very low112 Ų112139.9 Ų139.978%0.78379%0.786SS**  trans95.1108.1137.1-148.50000119.7
179S42.1Very low43.7Very low96 Ų96141.3 Ų141.367%0.67179%0.793SS**  trans57.1121.6130.3-73.60000123.4
180D43.4Very low43.9Very low143 Ų143145.9 Ų145.977%0.76580%0.799SS**  trans93.8128.1137.2-55.7-35.2000121.5
181D43.1Very low44.2Very low165 Ų165152.3 Ų152.388%0.88281%0.808SS**  trans84.2122.7158.7-77.6-78.3000123.5
182E43.4Very low44.3Very low173 Ų173154.3 Ų154.381%0.80881%0.808SS**  trans-80-172.3178.3-141-16288.600111.2
183P41.4Very low44.7Very low93 Ų93153.6 Ų153.660%0.60480%0.803SS**  cis-133.5175.7-20.88.218.2000118.6
184R44.8Very low44.7Very low245 Ų245151.3 Ų151.393%0.92580%0.797SS**  trans77.5100.5143.5-87.7177171.1-134.6-1.2120.1
185S45.8Very low45.5Very low122 Ų122152.6 Ų152.685%0.85379%0.789SS**  trans-157.2141.4140176.60000110
186A44.3Very low46.1Very low99 Ų99148.8 Ų148.882%0.81878%0.782SS**  trans-77.7123.2-161.600000114.2
187T50.3Low46.6Very low129 Ų129151.2 Ų151.279%0.79179%0.786SS**  trans-136140.7161.235.60000110.1
188P56.6Low46.7Very low114 Ų114146.8 Ų146.874%0.7478%0.779SS**  trans-69.3151.1-170.629.5-33.8000111.7R190P188-R190 PolarHBondContact O-N 3.26Å
189P47.6Very low46.9Very low127 Ų127148.5 Ų148.583%0.82578%0.779SS**  trans-74.1115.6-168.929.9-32.1000110.3R191P189-R191 PolarHBondContact O-N 3.42Å
190R48.1Very low47Very low245 Ų245148.8 Ų148.893%0.92578%0.781SS**  trans-63.9126.8158-84.9-163170-165.9-0.6107.3P188 H192P188-R190 PolarHBondContact O-N 3.26Å; R190-H192 VanDerWaalsContact C-N 3.31Å; R190-H192 PolarHBondContact O-N 2.88Å
191R46.4Very low47.3Very low239 Ų239148.4 Ų148.490%0.90278%0.778SS**  trans-59.592.6174.6-66.1-179.2177.9171.7-1.4109.1P189 L193P189-R191 PolarHBondContact O-N 3.42Å; R191-L193 PolarHBondContact O-N 3.48Å
192H49.7Very low47.3Very low145 Ų145145.8 Ų145.867%0.67177%0.772SS**  trans-75.1101.2169.2-168.3-98.1000106.6R190 D194R190-H192 VanDerWaalsContact C-N 3.31Å; R190-H192 PolarHBondContact O-N 2.88Å; H192-D194 VanDerWaalsContact C-N 3.35Å; H192-D194 IonicContact CE1-OD1 3.02Å; H192-D194 PolarHBondContact CE1-OD1 3.34Å; H192-D194 IonicContact CE1-OD2 3.97Å; H192-D194 IonicContact ND1-OD1 3.42Å; H192-D194 PolarHBondContact ND1-OD1 2.83Å; H192-D194 IonicContact ND1-OD2 2.7Å; H192-D194 PolarHBondContact ND1-OD2 3.07Å; H192-D194 VanDerWaalsContact ND1-OD2 3.16Å; H192-D194 PolarHBondContact O-N 3.35Å; H192-D194 VanDerWaalsContact O-N 3.15Å
193L50.3Low47.3Very low148 Ų148145 Ų14578%0.77577%0.773SS**  trans-74.296.9165.6-80.9147.8000106.2R191 I195R191-L193 PolarHBondContact O-N 3.48Å; L193-I195 VanDerWaalsContact C-N 3.28Å; L193-I195 PolarHBondContact O-N 3.22Å
194D41.6Very low47.5Very low134 Ų134145 Ų14572%0.71778%0.78SS**  trans-61.993166-77.8-66.2000108.6H192H192-D194 VanDerWaalsContact C-N 3.35Å; H192-D194 IonicContact CE1-OD1 3.02Å; H192-D194 PolarHBondContact CE1-OD1 3.34Å; H192-D194 IonicContact CE1-OD2 3.97Å; H192-D194 IonicContact ND1-OD1 3.42Å; H192-D194 PolarHBondContact ND1-OD1 2.83Å; H192-D194 IonicContact ND1-OD2 2.7Å; H192-D194 PolarHBondContact ND1-OD2 3.07Å; H192-D194 VanDerWaalsContact ND1-OD2 3.16Å; H192-D194 PolarHBondContact O-N 3.35Å; H192-D194 VanDerWaalsContact O-N 3.15Å
195I58.1Low47.4Very low128 Ų128137.5 Ų137.566%0.65677%0.771SS**  trans-87.9106.1167.4-62.5169.9000105.8L193 L197L193-I195 VanDerWaalsContact C-N 3.28Å; L193-I195 PolarHBondContact O-N 3.22Å; I195-L197 HydrophobicContact CG2-CD1 4.3Å; I195-L197 PolarHBondContact O-N 3.47Å
196D46.7Very low47.7Very low131 Ų131141.1 Ų141.170%0.70177%0.767SS**  trans-61.4117.5170.2-171.3-7.4000109.2N198D196-N198 VanDerWaalsContact C-N 3.3Å; D196-N198 PolarHBondContact O-N 3.14Å; D196-N198 PolarHBondContact OD1-N 3.49Å; D196-N198 VanDerWaalsContact OD1-N 3.13Å
197L53.3Low47.7Very low158 Ų158144.1 Ų144.183%0.82776%0.764SS**  trans-92.226.8-179-107.498000112.6I195 L199I195-L197 HydrophobicContact CG2-CD1 4.3Å; I195-L197 PolarHBondContact O-N 3.47Å; L197-L199 PolarHBondContact O-N 3.21Å; L197-L199 VanDerWaalsContact O-N 3.09Å
198N43.6Very low47.8Very low136 Ų136142 Ų14273%0.72775%0.752SS**  trans-78.784.3167.6-107.9-40.4000111.1D196D196-N198 VanDerWaalsContact C-N 3.3Å; D196-N198 PolarHBondContact O-N 3.14Å; D196-N198 PolarHBondContact OD1-N 3.49Å; D196-N198 VanDerWaalsContact OD1-N 3.13Å
199L45.2Very low47.8Very low148 Ų148142 Ų14278%0.77575%0.753SS**  trans-109.489.9164.2-138.880.1000109.6L197 I201L197-L199 PolarHBondContact O-N 3.21Å; L197-L199 VanDerWaalsContact O-N 3.09Å; L199-I201 HydrophobicContact CD2-CD1 4.49Å; L199-I201 HydrophobicContact CD2-CG1 4.28Å; L199-I201 PolarHBondContact O-N 3.21Å
200S44.2Very low47.9Very low102 Ų102144.5 Ų144.571%0.71375%0.754SS**  trans-73.8101.5162.458.30000108.5S202S200-S202 VanDerWaalsContact C-N 3.33Å; S200-S202 PolarHBondContact O-N 3.19Å; S200-S202 VanDerWaalsContact O-N 3.13Å
201I49.9Very low47.9Very low136 Ų136142.2 Ų142.270%0.69775%0.753SS**  trans-80.490166.7-59.4173.5000106.5L199 L203L199-I201 HydrophobicContact CD2-CD1 4.49Å; L199-I201 HydrophobicContact CD2-CG1 4.28Å; L199-I201 PolarHBondContact O-N 3.21Å; I201-L203 HydrophobicContact CG2-CD1 4.41Å; I201-L203 PolarHBondContact O-N 2.99Å
202S41.3Very low48.2Very low109 Ų109136.8 Ų136.876%0.76275%0.747SS**  trans-73.599.1161.4-69.20000107.1S200 A204S200-S202 VanDerWaalsContact C-N 3.33Å; S200-S202 PolarHBondContact O-N 3.19Å; S200-S202 VanDerWaalsContact O-N 3.13Å; S202-A204 PolarHBondContact O-N 2.88Å; S202-A204 VanDerWaalsContact O-N 3.14Å
203L45.1Very low47.7Very low157 Ų157133.4 Ų133.482%0.82275%0.752SS**  trans-66.3110.8169.6-15073.9000106.9I201 A205I201-L203 HydrophobicContact CG2-CD1 4.41Å; I201-L203 PolarHBondContact O-N 2.99Å; L203-A205 PolarHBondContact O-N 3.35Å
204A44.1Very low47.6Very low92 Ų92133 Ų13376%0.7675%0.749SS**  trans-54.9124.617300000108.4S202 Y206S202-A204 PolarHBondContact O-N 2.88Å; S202-A204 VanDerWaalsContact O-N 3.14Å; A204-Y206 PolarHBondContact O-N 2.85Å; A204-Y206 VanDerWaalsContact O-N 3.14Å
205A43.4Very low47.8Very low88 Ų88134.3 Ų134.373%0.72775%0.754SS**  trans-59.8118.1179.800000109.1L203 Q207L203-A205 PolarHBondContact O-N 3.35Å; A205-Q207 PolarHBondContact O-N 2.99Å
206Y52.9Low47.6Very low198 Ų198137.3 Ų137.378%0.77676%0.762SS**  trans-63116167.7177.8-97.5000108.4A204 P208A204-Y206 PolarHBondContact O-N 2.85Å; A204-Y206 VanDerWaalsContact O-N 3.14Å; Y206-P208 HydrophobicContact CE1-CB 4.12Å
207Q43.1Very low47.8Very low162 Ų162139.7 Ų139.776%0.75777%0.769SS**  trans-96.8115.2168.9-67.4-120.7-56.200107.8A205A205-Q207 PolarHBondContact O-N 2.99Å
208P52.9Low47Very low84 Ų84138 Ų13855%0.54577%0.767SS.*  trans-65.1148.917027-29.9000109.4Y206 E210Y206-P208 HydrophobicContact CE1-CB 4.12Å; P208-E210 PolarHBondContact O-N 2.93Å
209P55.9Low47.1Very low116 Ų116139.3 Ų139.375%0.75377%0.774SS**  trans-62.7131.5179.425.5-31.8000110.2E211P209-E211 PolarHBondContact O-N 3.22Å
210E49.7Very low47.3Very low179 Ų179138.6 Ų138.684%0.83678%0.775SS**  trans-68.7114.4176.2-59.3-142.6145.300110P208 T212P208-E210 PolarHBondContact O-N 2.93Å; E210-T212 PolarHBondContact O-N 3.09Å; E210-T212 VanDerWaalsContact O-N 3.08Å
211E49.3Very low47Very low196 Ų196142.4 Ų142.492%0.91678%0.784SS**  trans-69.1100.4165.2-86.1-175.6139.500108.7P209 G213P209-E211 PolarHBondContact O-N 3.22Å; E211-G213 PolarHBondContact O-N 3.46Å
212T51.8Low46.9Very low125 Ų125146.2 Ų146.277%0.76780%0.796SS**  trans-62.7103.2165.149.20000109E210 I214E210-T212 PolarHBondContact O-N 3.09Å; E210-T212 VanDerWaalsContact O-N 3.08Å; T212-I214 PolarHBondContact O-N 3.44Å
213G39.2Very low46.6Very low75 Ų75148.3 Ų148.377%0.77379%0.793SS**  trans-60.9104.9173.100000111.4E211E211-G213 PolarHBondContact O-N 3.46Å
214I48.2Very low46.3Very low140 Ų140147.9 Ų147.972%0.71879%0.787SS**  trans-90.2106161.1-65.5177.6000107.3T212 K216T212-I214 PolarHBondContact O-N 3.44Å; I214-K216 HydrophobicContact CG2-CG 4.3Å; I214-K216 PolarHBondContact O-N 2.89Å; I214-K216 VanDerWaalsContact O-N 3.15Å
215I46.3Very low46Very low161 Ų161150 Ų15083%0.82678%0.781SS**  trans-62.8104.3167.3-60.4170.2000108.2
216K53.1Low45.8Very low191 Ų191153.2 Ų153.283%0.8378%0.781SS**  trans-144.2136154.7-69.1-166-180176.20111.6I214I214-K216 HydrophobicContact CG2-CG 4.3Å; I214-K216 PolarHBondContact O-N 2.89Å; I214-K216 VanDerWaalsContact O-N 3.15Å
217Q51Low45Very low180 Ų180149.6 Ų149.684%0.84178%0.78SS**  trans-66.2166.3-167.1-69.9176.85.600115
218P37.2Very low44.7Very low122 Ų122146.4 Ų146.479%0.79278%0.782SS**  trans-86.6127.5-168.333.7-28.8000111.4
219L45.5Very low44.1Very low164 Ų164147.3 Ų147.386%0.85980%0.796SS**  trans-138.8101.1166.3-94.4168.9000111.1
220V50.2Low43Very low134 Ų134145.8 Ų145.881%0.81280%0.801SS**  trans34.5123136.4-175.30000119.2
221M37.6Very low42.3Very low181 Ų181140.9 Ų140.989%0.89280%0.799SS**  trans-43.8135.3169.4-61.3165.574.700115
222K46.9Very low41.7Very low217 Ų217138.2 Ų138.294%0.94380%0.796SS**  trans-161.3151.4131.6-112.1171.4179.7-178.70111.7
223Q34.9Very low41.6Very low153 Ų153140.3 Ų140.372%0.71580%0.803SS**  trans-95.2167.9-155.3153.2-177.9-10.500112.4
224E40.1Very low41.9Very low147 Ų147141.5 Ų141.569%0.68781%0.805SS**  trans79.5141.6165.6-78.6147.9-178.300117.4
225Q37.4Very low41.8Very low136 Ų136139.6 Ų139.664%0.63681%0.81SS**  cis-177.9147.2-1.4175.5172.7-20.300107.7
226E39.4Very low41.9Very low156 Ų156136.7 Ų136.773%0.72981%0.811SS**  trans63.5146157.3-79.3171.7139.900119
227T35.7Very low41.8Very low122 Ų122133.6 Ų133.675%0.74881%0.807SS**  cis-163.4155.720.127.70000110.7
228A36.6Very low41.7Very low96 Ų96128.6 Ų128.679%0.79379%0.791SS**  trans74.9129.4140.500000123.7
229A39.4Very low42.7Very low102 Ų102129.7 Ų129.784%0.84379%0.79SS**  trans93.7101.413900000120.1
230G33.4Very low43.2Very low84 Ų84125.3 Ų125.387%0.86677%0.772SS**  107.6125.9113.300000118.6
231G35.3Very low43.2Very low77 Ų77126.7 Ų126.779%0.79477%0.774SS**  trans110.291140.100000117.4
232T37.5Very low43.9Very low140 Ų140125.2 Ų125.286%0.85977%0.77SS**  trans-66.8129.1165.548.20000111.9
233N49.1Very low44Very low169 Ų169120 Ų12090%0.90476%0.761SS**  trans-118.9105.4162.6-86.3-34000109.7
234A44.5Very low44.4Very low100 Ų100121.8 Ų121.883%0.82677%0.774SS**  trans-75.9120.5168.400000108.8A236A234-A236 PolarHBondContact O-N 2.8Å
235A47.7Very low44.3Very low99 Ų99117.7 Ų117.782%0.81877%0.772SS**  trans-71.4115.5174.400000110V237A235-V237 PolarHBondContact O-N 3.43Å
236A47.7Very low44.5Very low101 Ų101121.2 Ų121.284%0.83578%0.781SS**PPolyproline II helixtrans-69.8124.7171.400000110.1A234A234-A236 PolarHBondContact O-N 2.8Å
237V51.5Low44.7Very low125 Ų125123.7 Ų123.776%0.75878%0.783SS**PPolyproline II helixtrans-82.3116.3176175.80000108.9A235 L239A235-V237 PolarHBondContact O-N 3.43Å; V237-L239 PolarHBondContact O-N 3.32Å
238C48.9Very low44.9Very low75 Ų75123.2 Ų123.251%0.50778%0.782SS.*PPolyproline II helixtrans-72.7118.9173.9-176.90000110.8C240 C254C238-C240 VanDerWaalsContact C-N 3.34Å; C238-C240 PolarHBondContact O-N 3.22Å; C238-C240 PolarHBondContact SG-SG 3.38Å; C238-C254 VanDerWaalsContact SG-SG 3.65Å
239L56.9Low46Very low145 Ų145122.5 Ų122.576%0.75978%0.784SS**  trans-90.831.7-175.1-71.4171.9000114.1V237 L241V237-L239 PolarHBondContact O-N 3.32Å; L239-L241 PolarHBondContact O-N 3.25Å
240C56.1Low46.6Very low72 Ų72123.7 Ų123.749%0.48678%0.781SS.*G310 helixtrans-72.18.1178-70.70000114.9C238C238-C240 VanDerWaalsContact C-N 3.34Å; C238-C240 PolarHBondContact O-N 3.22Å; C238-C240 PolarHBondContact SG-SG 3.38Å
241L50.1Low47.7Very low164 Ų164128.1 Ų128.186%0.85978%0.779SS**G310 helixtrans-91.69.4-175.5-91138000115.5L239L239-L241 PolarHBondContact O-N 3.25Å
242N52.1Low48.7Very low149 Ų149128.9 Ų128.980%0.79777%0.771SS**G310 helixtrans-109.57.4-179.6-79.4-18.9000115.9
243S50.8Low49.7Very low108 Ų108128.3 Ų128.376%0.75577%0.767SS**  trans-105.193.5174.3-62.80000110.6G245S243-G245 VanDerWaalsContact C-N 3.29Å; S243-G245 PolarHBondContact O-N 2.99Å
244L42.6Very low49.9Very low190 Ų190124 Ų124100%0.99575%0.749SS**  trans-56.991.8162.1-72.2164.4000108.9
245G38Very low50.2Low62 Ų62122.5 Ų122.564%0.63974%0.743SS**  trans170.357.7-178.600000114S243 R247S243-G245 VanDerWaalsContact C-N 3.29Å; S243-G245 PolarHBondContact O-N 2.99Å; G245-R247 PolarHBondContact O-N 3.08Å; G245-R247 VanDerWaalsContact O-N 3.15Å
246Y40.4Very low50Low210 Ų210125.5 Ų125.582%0.82475%0.746SS**  trans-70.2106.5166.9-173.9-98.1000109.2P248Y246-P248 HydrophobicContact CE1-CB 4.48Å; Y246-P248 HydrophobicContact CE1-CG 4.35Å
247R43.8Very low49.5Very low207 Ų207124.4 Ų124.478%0.78174%0.744SS**  trans-97.5127.6161-75.7-154.1166.8-158.9-2.5108.4G245 G249G245-R247 PolarHBondContact O-N 3.08Å; G245-R247 VanDerWaalsContact O-N 3.15Å; R247-G249 PolarHBondContact O-N 3.06Å
248P40.2Very low49Very low113 Ų113123.6 Ų123.673%0.73474%0.744SS**THydrogen-bonded Turntrans-63.1125174-11.425.1000109Y246Y246-P248 HydrophobicContact CE1-CB 4.48Å; Y246-P248 HydrophobicContact CE1-CG 4.35Å
249G59.4Low48.6Very low80 Ų80125.2 Ų125.283%0.82576%0.756SS**THydrogen-bonded Turntrans115.59.3170.400000117.8R247R247-G249 PolarHBondContact O-N 3.06Å
250V53.7Low47.9Very low128 Ų128124 Ų12478%0.77676%0.76SS**  trans-124.9118174.2-168.70000110.1
251E55.9Low47.2Very low177 Ų177125.7 Ų125.783%0.82777%0.772SS**  trans-77.7132.5179.8-154.6166.1-153.300110V253E251-V253 PolarHBondContact O-N 3.15Å
252C56.7Low46.9Very low93 Ų93123 Ų12363%0.62877%0.767SS**  trans-83.9113.9179.5-169.60000109.4
253V58.5Low46.4Very low127 Ų127121 Ų12177%0.7777%0.765SS**  trans-94.4103178-174.90000109.1E251E251-V253 PolarHBondContact O-N 3.15Å
254C51.9Low46Very low79 Ų79120.5 Ų120.553%0.53476%0.761SS.*  trans-92.892168.5-53.10000107.3C238C238-C254 VanDerWaalsContact SG-SG 3.65Å
255G52.2Low46Very low68 Ų68120.2 Ų120.270%0.70175%0.754SS**PPolyproline II helixtrans-80.9127.9-179.200000112.2
256D43Very low46Very low163 Ų163121.8 Ų121.887%0.87276%0.756SS**PPolyproline II helixtrans-60.5139172.5-74.6-49.5000111.9
257G36Very low46.1Very low77 Ų77121 Ų12179%0.79476%0.759SS**PPolyproline II helixtrans-66.1137.3-177.300000113.5
258S41.9Very low45.9Very low109 Ų109116.1 Ų116.176%0.76276%0.757SS**  trans-152.4105.7151.3-20.20000109.9
259S41.3Very low46Very low109 Ų109119.8 Ų119.876%0.76276%0.764SS**  trans20.3122.4145.254.90000119.8
260S41.8Very low45.3Very low119 Ų119120.8 Ų120.883%0.83276%0.758SS**  -177.9134.3108.438.70000113.9
261S41.2Very low44.5Very low107 Ų107122.9 Ų122.975%0.74876%0.759SS**  trans-34.3142.6169.549.20000119.8
262S43.9Very low43.6Very low108 Ų108122.5 Ų122.576%0.75576%0.757SS**  175.8112.3115.833.20000110.7
263S42Very low42.6Very low108 Ų108129.6 Ų129.676%0.75577%0.771SS**  72.493.4101.7-52.10000113.5
264S42.2Very low41.8Very low96 Ų96127.7 Ų127.767%0.67177%0.769SS**  87106.694.564.20000114.5
265H43.2Very low41.1Very low184 Ų184131.4 Ų131.485%0.85278%0.782SS**  -176.9133.1113.7-95.4-45000112.5
266S37.6Very low40.6Very low95 Ų95135.2 Ų135.266%0.66479%0.787SS**  trans-73.7139.2172.744.70000112.5
267H42.7Very low40.4Very low193 Ų193137.2 Ų137.289%0.89479%0.788SS**  trans-157.2132.3131.5-98.1163.1000112.3
268S39.6Very low40.5Very low105 Ų105141.1 Ų141.173%0.73479%0.79SS**  trans-57.5142.8170173.60000111.6
269H42.6Very low40.5Very low190 Ų190145 Ų14588%0.8880%0.796SS**  trans-161.3146132.6-115-136.9000112.6
270S42.9Very low40.5Very low102 Ų102144.7 Ų144.771%0.71380%0.8SS**  trans-82.5154.7-161-166.60000114.2
271H37.4Very low40.5Very low172 Ų172144.1 Ų144.180%0.79680%0.802SS**  trans1.9118.9155.5-82.2-113.2000118
272Q37.6Very low40.8Very low168 Ų168143.5 Ų143.579%0.78580%0.804SS**  trans178.3118.6131-112.1160.461.700111.6
273W36Very low40.8Very low243 Ų243144.1 Ų144.192%0.9281%0.805SS**  169.4136.2116.1-78.6-15.8000113.2
274A41.3Very low41.4Very low87 Ų87145.6 Ų145.672%0.71981%0.814SS**  trans-80.2156.5177.400000111.6
275L36Very low41.7Very low156 Ų156152 Ų15282%0.81783%0.825SS**  trans33.5109.5142.7-67.3167.7000117.8
276N43.4Very low42.2Very low148 Ų148155 Ų15579%0.79183%0.829SS**  179135.9116.8-90.1-36.2000109.2
277F37.9Very low43Very low205 Ų205153.1 Ų153.190%0.89983%0.825SS**  170.199126.1-104.7-85.7000109.2
278L38Very low43.5Very low160 Ų160156.9 Ų156.984%0.83884%0.843SS**  trans-63.3140.2147.4-93.188.2000107.6
279Q42.9Very low43.7Very low190 Ų190159.5 Ų159.589%0.88885%0.848SS**  161.5146.5119.2-161.6138.9-1500111.4
280A41.3Very low43.8Very low103 Ų103157.8 Ų157.885%0.85185%0.846SS**  trans86.7130.117900000114.4
281A42Very low43.8Very low106 Ų106160.9 Ų160.988%0.87685%0.854SS**  cis-150.5167.12400000112.4
282A46.7Very low44.2Very low94 Ų94160.3 Ų160.378%0.77786%0.857SS**  trans-69166.6-159.900000118
283P44.8Very low44.6Very low122 Ų122159.8 Ų159.879%0.79286%0.862SS**  trans-90.6142.6173.735.6-29.6000112
284C53.6Low45.2Very low139 Ų139154.3 Ų154.394%0.93986%0.858SS**  trans-107.5109.8163.2-79.40000109.1
285Y48.7Very low45.5Very low230 Ų230159.1 Ų159.190%0.90287%0.868SS**  trans-122.2123.7161.2-148.7-91.4000106.7
286R53.5Low46.2Very low246 Ų246159.3 Ų159.393%0.92887%0.872SS**  trans-138.5114.9166.9-169.9-176.1-93.5-155-2.9107.1
287G55.3Low46.4Very low56 Ų56160.3 Ų160.358%0.57788%0.878SS**  trans-79.2150.7173.600000112.5
288Q53Low47.2Very low272 Ų272156.2 Ų156.2100%1.27188%0.876SS**  -135.70122.3-82.8-170.723.200107.1

Retrieved 288 of 288 residues in 45.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).