A0A096NC03_PAPAN Loading...

DEP domain-containing protein 1B

AlphaFold DB , UniProt , Accession A0A096NC03, Species PAPAN (Papio anubis, Olive baboon), Gene DEPDC1B, Length 529 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low54.4Low210 Ų210123.9 Ų123.9100%1.03464%0.641SS**  0112.20-76.3178.4-176.100106.2H3M1-H3 PolarHBondContact O-N 2.9Å
2E32.5Very low56.4Low195 Ų195122 Ų12291%0.91162%0.619SS**  trans-65.4124.1-178-70.4171.2155.800110R4E2-R4 PolarHBondContact O-N 3.38Å
3H45.6Very low57.8Low97 Ų97118.5 Ų118.545%0.44962%0.62SS.*  trans-70.7112.3176.7-76.8-85.6000108.8M1 I5M1-H3 PolarHBondContact O-N 2.9Å; H3-I5 PolarHBondContact O-N 3.12Å
4R52.4Low59.4Low218 Ų218115.4 Ų115.482%0.82361%0.609SS**  trans-65.6117.1173.9-72.6-177.3178-178-1.8108.6E2 V6E2-R4 PolarHBondContact O-N 3.38Å; R4-V6 PolarHBondContact O-N 2.86Å
5I57.2Low60.7Low124 Ų124118.5 Ų118.564%0.63661%0.609SS**  trans-65.8118.8173.1-61.7170000107.4H3 G7H3-I5 PolarHBondContact O-N 3.12Å; I5-G7 PolarHBondContact O-N 2.96Å
6V61.5Low62.1Low21 Ų21112.1 Ų112.113%0.12758%0.576CS.*  trans-78.198174.9-178.80000107.1R4 R12 R15 L16 N62R4-V6 PolarHBondContact O-N 2.86Å; V6-R12 HydrophobicContact CG1-CG 4.15Å; V6-R12 PolarHBondContact O-NE 3.23Å; V6-R15 HydrophobicContact CG1-CB 4.3Å; V6-L16 HydrophobicContact CB-CD2 4.1Å; V6-L16 HydrophobicContact CG2-CD2 3.95Å; V6-N62 PolarHBondContact N-OD1 3.37Å
7G57.3Low63.4Low40 Ų40109.4 Ų109.441%0.41256%0.557SS.*  trans-56.5156.5-178.800000113.5I5 G9I5-G7 PolarHBondContact O-N 2.96Å; G7-G9 PolarHBondContact O-N 2.73Å
8P57.8Low64.5Low131 Ų131106.6 Ų106.685%0.85154%0.543SS*.SBendtrans-65.4119.317826.8-31.7000110.2
9G66.9Low65.5Low39 Ų39104.3 Ų104.340%0.40253%0.53SS..  trans-165168.8179.400000111.4G7 R12G7-G9 PolarHBondContact O-N 2.73Å; G9-R12 WeakPolarHBondContact O-CB 3.41Å; G9-R12 PolarHBondContact O-N 2.69Å
10P56.5Low66.6Low106 Ų10699.6 Ų99.669%0.68851%0.507SS*.THydrogen-bonded Turntrans-57.9143.117625.4-32.9000110.3R12P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 2.79Å
11Y73.8Confident67.4Low182 Ų18294.8 Ų94.871%0.71448%0.483SS*.THydrogen-bonded Turntrans65.118.9-177.8-44-78.3000116.3A13 T14 R15Y11-A13 VanDerWaalsContact C-N 3.29Å; Y11-A13 PolarHBondContact O-N 3.44Å; Y11-T14 WeakPolarHBondContact O-CB 3.41Å; Y11-T14 PolarHBondContact O-N 2.91Å; Y11-R15 PolarHBondContact O-N 3.13Å
12R78.1Confident69.7Low101 Ų10189.3 Ų89.338%0.38145%0.454SS..Hα-helixtrans-50.6-45.2175.6179.9172.3-177.4-104-2.2113.2V6 G9 P10 T14 R15 L16V6-R12 HydrophobicContact CG1-CG 4.15Å; V6-R12 PolarHBondContact O-NE 3.23Å; G9-R12 WeakPolarHBondContact O-CB 3.41Å; G9-R12 PolarHBondContact O-N 2.69Å; P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 2.79Å; R12-T14 VanDerWaalsContact C-N 3.33Å; R12-T14 PolarHBondContact O-N 3.45Å; R12-R15 PolarHBondContact O-N 2.62Å; R12-L16 HydrophobicContact CG-CD1 4.1Å; R12-L16 WeakPolarHBondContact O-CG 3.39Å; R12-L16 PolarHBondContact O-N 2.88Å
13A75.6Confident72.2Confident77 Ų7782.3 Ų82.364%0.63642%0.423SS*.Hα-helixtrans-61-40.9178.200000112.4Y11 L16 W17Y11-A13 VanDerWaalsContact C-N 3.29Å; Y11-A13 PolarHBondContact O-N 3.44Å; A13-L16 PolarHBondContact O-N 3.03Å; A13-W17 WeakPolarHBondContact O-CB 3.29Å; A13-W17 PolarHBondContact O-N 3.5Å
14T79.7Confident74.2Confident74 Ų7477.7 Ų77.745%0.45440%0.401SS..Hα-helixtrans-67.5-38.5177.4-45.40000111.9Y11 R12 W17 N18Y11-T14 WeakPolarHBondContact O-CB 3.41Å; Y11-T14 PolarHBondContact O-N 2.91Å; R12-T14 VanDerWaalsContact C-N 3.33Å; R12-T14 PolarHBondContact O-N 3.45Å; T14-W17 PolarHBondContact O-N 2.88Å; T14-N18 VanDerWaalsContact O-CG 3.23Å; T14-N18 PolarHBondContact O-N 2.95Å; T14-N18 PolarHBondContact O-ND2 3.33Å
15R78.3Confident75.7Confident163 Ų16369.8 Ų69.862%0.61537%0.372SS*.Hα-helixtrans-63.6-47.5174.6-76.2-175.3176.4174.6-1.2111.8V6 Y11 R12 W17 N18 E19V6-R15 HydrophobicContact CG1-CB 4.3Å; Y11-R15 PolarHBondContact O-N 3.13Å; R12-R15 PolarHBondContact O-N 2.62Å; R15-W17 VanDerWaalsContact C-N 3.31Å; R15-W17 PolarHBondContact O-N 3.3Å; R15-N18 PolarHBondContact O-N 3.22Å; R15-E19 WeakPolarHBondContact O-CB 3.46Å; R15-E19 PolarHBondContact O-N 3.36Å
16L83.1Confident76.8Confident15 Ų1567.8 Ų67.88%0.07937%0.373CS..Hα-helixtrans-61.7-40.5177.1-70.9172.2000111.8V6 R12 A13 T20 N62 F63V6-L16 HydrophobicContact CB-CD2 4.1Å; V6-L16 HydrophobicContact CG2-CD2 3.95Å; R12-L16 HydrophobicContact CG-CD1 4.1Å; R12-L16 WeakPolarHBondContact O-CG 3.39Å; R12-L16 PolarHBondContact O-N 2.88Å; A13-L16 PolarHBondContact O-N 3.03Å; L16-T20 WeakPolarHBondContact O-CB 3.2Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 2.99Å; L16-N62 HydrophobicContact CD2-CB 3.75Å; L16-F63 HydrophobicContact CB-CE2 4.39Å; L16-F63 HydrophobicContact CB-CZ 4.04Å; L16-F63 HydrophobicContact CD1-CZ 4.39Å; L16-F63 HydrophobicContact CD2-CE2 4.13Å
17W84.9Confident77.9Confident66 Ų6672.3 Ų72.325%0.2539%0.392CS..Hα-helixtrans-58.7-51.7173.4173.8-86.1000111.7A13 T14 R15 E19 T20 V21 L75 K78 F79 N82 V84A13-W17 WeakPolarHBondContact O-CB 3.29Å; A13-W17 PolarHBondContact O-N 3.5Å; T14-W17 PolarHBondContact O-N 2.88Å; R15-W17 VanDerWaalsContact C-N 3.31Å; R15-W17 PolarHBondContact O-N 3.3Å; W17-E19 PolarHBondContact O-N 3.08Å; W17-T20 PolarHBondContact O-N 3.34Å; W17-V21 HydrophobicContact CZ2-CG2 4.39Å; W17-V21 WeakPolarHBondContact O-CG2 3Å; W17-V21 PolarHBondContact O-N 2.7Å; W17-L75 HydrophobicContact CE3-CD1 3.84Å; W17-L75 HydrophobicContact CH2-CD1 4.44Å; W17-L75 HydrophobicContact CZ3-CD1 3.47Å; W17-L75 VanDerWaalsContact CZ3-CD1 3.47Å; W17-K78 HydrophobicContact CH2-CB 3.53Å; W17-K78 HydrophobicContact CZ3-CB 3.77Å; W17-F79 HydrophobicContact CD2-CE1 4.42Å; W17-F79 HydrophobicContact CE3-CE1 4.16Å; W17-F79 AromaticContact CH2-CD1 3.4Å; W17-F79 HydrophobicContact CH2-CD1 3.4Å; W17-F79 VanDerWaalsContact CH2-CD1 3.4Å; W17-F79 AromaticContact CH2-CE1 3.63Å; W17-F79 HydrophobicContact CH2-CE1 3.63Å; W17-F79 AromaticContact CZ2-CD1 3.76Å; W17-F79 HydrophobicContact CZ2-CD1 3.76Å; W17-F79 AromaticContact CZ2-CE1 3.87Å; W17-F79 HydrophobicContact CZ2-CE1 3.87Å; W17-F79 AromaticContact CZ3-CD1 3.96Å; W17-F79 HydrophobicContact CZ3-CD1 3.96Å; W17-F79 AromaticContact CZ3-CE1 3.8Å; W17-F79 HydrophobicContact CZ3-CE1 3.8Å; W17-N82 HydrophobicContact CZ2-CB 4.25Å; W17-N82 WeakPolarHBondContact CZ2-ND2 3.39Å; W17-V84 HydrophobicContact CZ2-CG2 4.44Å
18N83.6Confident79.4Confident59 Ų5970.9 Ų70.932%0.31637%0.374SS..Hα-helixtrans-62.3-45-178.8-70-15.3000111.9T14 R15 T20 V21 E22 L112T14-N18 VanDerWaalsContact O-CG 3.23Å; T14-N18 PolarHBondContact O-N 2.95Å; T14-N18 PolarHBondContact O-ND2 3.33Å; R15-N18 PolarHBondContact O-N 3.22Å; N18-T20 VanDerWaalsContact C-N 3.33Å; N18-T20 PolarHBondContact O-N 3.45Å; N18-V21 PolarHBondContact O-N 3.2Å; N18-E22 WeakPolarHBondContact O-CG 3.49Å; N18-E22 PolarHBondContact O-N 3.05Å; N18-L112 HydrophobicContact CB-CD2 4.22Å; N18-L112 WeakPolarHBondContact OD1-CD2 3.22Å
19E83.5Confident80.6Confident63 Ų6367.5 Ų67.529%0.29435%0.352SS..Hα-helixtrans-60.1-43.7176.8-176178.7-173.300111.6R15 W17 V21 E22 L23R15-E19 WeakPolarHBondContact O-CB 3.46Å; R15-E19 PolarHBondContact O-N 3.36Å; W17-E19 PolarHBondContact O-N 3.08Å; E19-V21 PolarHBondContact O-N 3.26Å; E19-E22 PolarHBondContact O-N 3.41Å; E19-L23 HydrophobicContact CG-CD1 4.05Å; E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 WeakPolarHBondContact O-CG 3.34Å; E19-L23 PolarHBondContact O-N 3.2Å
20T86.2Confident81.5Confident10 Ų1069.1 Ų69.16%0.06135%0.351CS..Hα-helixtrans-64.2-42177.8-53.10000111.2L16 W17 N18 F24 L53 L56 L57 L75 F79L16-T20 WeakPolarHBondContact O-CB 3.2Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 2.99Å; W17-T20 PolarHBondContact O-N 3.34Å; N18-T20 VanDerWaalsContact C-N 3.33Å; N18-T20 PolarHBondContact O-N 3.45Å; T20-F24 WeakPolarHBondContact O-CB 3.43Å; T20-F24 PolarHBondContact O-N 2.95Å; T20-L53 HydrophobicContact CG2-CD1 3.74Å; T20-L56 HydrophobicContact CG2-CD2 4.44Å; T20-L57 HydrophobicContact CG2-CD2 4.31Å; T20-L75 HydrophobicContact CG2-CD2 4.27Å; T20-F79 HydrophobicContact CG2-CZ 4.13Å
21V85.3Confident82.7Confident0 Ų071 Ų710%035%0.345CS..Hα-helixtrans-65.8-42.2177.1171.50000111.6W17 N18 E19 F24 R25 F79 V84 L112W17-V21 HydrophobicContact CZ2-CG2 4.39Å; W17-V21 WeakPolarHBondContact O-CG2 3Å; W17-V21 PolarHBondContact O-N 2.7Å; N18-V21 PolarHBondContact O-N 3.2Å; E19-V21 PolarHBondContact O-N 3.26Å; V21-F24 PolarHBondContact O-N 3.13Å; V21-R25 PolarHBondContact O-N 3.26Å; V21-F79 HydrophobicContact CG2-CD1 4.37Å; V21-F79 HydrophobicContact CG2-CE1 3.64Å; V21-F79 HydrophobicContact CG2-CE2 4.24Å; V21-F79 HydrophobicContact CG2-CZ 3.56Å; V21-V84 HydrophobicContact CG1-CG1 3.78Å; V21-V84 HydrophobicContact CG1-CG2 4.11Å; V21-V84 HydrophobicContact CG2-CG1 4.27Å; V21-V84 HydrophobicContact CG2-CG2 4.04Å; V21-L112 HydrophobicContact CB-CD1 3.98Å; V21-L112 HydrophobicContact CB-CG 4.38Å; V21-L112 HydrophobicContact CG1-CD1 3.59Å; V21-L112 HydrophobicContact CG1-CD2 4.29Å; V21-L112 HydrophobicContact CG1-CG 3.75Å
22E84.6Confident83.2Confident94 Ų9468.6 Ų68.644%0.43934%0.338SS..Hα-helixtrans-62.2-47.7176.8-75.4-168175.100111.6N18 E19 R25 A26 L112N18-E22 WeakPolarHBondContact O-CG 3.49Å; N18-E22 PolarHBondContact O-N 3.05Å; E19-E22 PolarHBondContact O-N 3.41Å; E22-R25 PolarHBondContact O-N 2.97Å; E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.03Å; E22-L112 HydrophobicContact CB-CD1 4.48Å; E22-L112 HydrophobicContact CG-CD1 3.43Å; E22-L112 VanDerWaalsContact CG-CD1 3.43Å
23L84.1Confident83.4Confident48 Ų4865.4 Ų65.425%0.25133%0.327SS..Hα-helixtrans-64.8-42178.3-71.5171.7000111.7E19 A26 K27 W52 L56E19-L23 HydrophobicContact CG-CD1 4.05Å; E19-L23 WeakPolarHBondContact O-CB 3.39Å; E19-L23 WeakPolarHBondContact O-CG 3.34Å; E19-L23 PolarHBondContact O-N 3.2Å; L23-A26 PolarHBondContact O-N 2.64Å; L23-K27 HydrophobicContact CD2-CD 4.48Å; L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 PolarHBondContact O-N 2.89Å; L23-W52 WeakPolarHBondContact O-CH2 3.37Å; L23-L56 HydrophobicContact CB-CD2 3.95Å; L23-L56 HydrophobicContact CD1-CD1 4.36Å; L23-L56 HydrophobicContact CD1-CD2 4.47Å
24F87.9Confident83.4Confident0 Ų070.5 Ų70.50%033%0.33CS..Hα-helixtrans-62.2-47.3177.7-174-105.4000111.5T20 V21 A26 M28 F44 A49 W52 L53 L76 F79 I85 F106T20-F24 WeakPolarHBondContact O-CB 3.43Å; T20-F24 PolarHBondContact O-N 2.95Å; V21-F24 PolarHBondContact O-N 3.13Å; F24-A26 PolarHBondContact O-N 3.17Å; F24-M28 HydrophobicContact CD2-SD 4.33Å; F24-M28 HydrophobicContact CE2-CG 4.26Å; F24-M28 HydrophobicContact CE2-SD 3.64Å; F24-M28 HydrophobicContact CZ-CG 4.35Å; F24-M28 HydrophobicContact CZ-SD 4.13Å; F24-M28 WeakPolarHBondContact O-CB 3.37Å; F24-M28 PolarHBondContact O-N 3.23Å; F24-F44 HydrophobicContact CZ-CZ 4.47Å; F24-A49 HydrophobicContact CE2-CB 4.39Å; F24-A49 HydrophobicContact CZ-CB 4.04Å; F24-W52 HydrophobicContact CB-CZ3 4.1Å; F24-W52 AromaticContact CD2-CE3 3.57Å; F24-W52 HydrophobicContact CD2-CE3 3.57Å; F24-W52 AromaticContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CE2-CE3 4.04Å; F24-W52 HydrophobicContact CE2-CZ3 4.47Å; F24-W52 HydrophobicContact CG-CZ3 4.29Å; F24-L53 HydrophobicContact CD2-CB 4.16Å; F24-L53 HydrophobicContact CD2-CD1 3.92Å; F24-L53 HydrophobicContact CD2-CG 4.45Å; F24-L53 HydrophobicContact CE2-CB 4.06Å; F24-L76 HydrophobicContact CE1-CD2 4.33Å; F24-L76 HydrophobicContact CE2-CD2 4.33Å; F24-L76 HydrophobicContact CZ-CD2 3.86Å; F24-F79 HydrophobicContact CB-CE2 4.17Å; F24-F79 AromaticContact CD1-CD2 3.9Å; F24-F79 HydrophobicContact CD1-CD2 3.9Å; F24-F79 AromaticContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CE1-CD2 4.07Å; F24-F79 HydrophobicContact CE1-CE2 4.34Å; F24-F79 HydrophobicContact CG-CD2 4.49Å; F24-F79 AromaticContact CG-CE2 3.94Å; F24-F79 HydrophobicContact CG-CE2 3.94Å; F24-I85 HydrophobicContact CE1-CG2 3.73Å; F24-F106 AromaticContact CD1-CE1 3.6Å; F24-F106 HydrophobicContact CD1-CE1 3.6Å; F24-F106 AromaticContact CD1-CZ 3.82Å; F24-F106 HydrophobicContact CD1-CZ 3.82Å; F24-F106 AromaticContact CE1-CE1 3.46Å; F24-F106 HydrophobicContact CE1-CE1 3.46Å; F24-F106 VanDerWaalsContact CE1-CE1 3.46Å; F24-F106 AromaticContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CZ-CE1 4.49Å; F24-F106 HydrophobicContact CZ-CZ 4.31Å
25R83.3Confident83Confident53 Ų5369.4 Ų69.420%0.233%0.325CS..Hα-helixtrans-65.1-37.8175.4-94.4-169.5135.3110.5-13.2113.7V21 E22 V84 F106 P107 S109V21-R25 PolarHBondContact O-N 3.26Å; E22-R25 PolarHBondContact O-N 2.97Å; R25-V84 PolarHBondContact NH1-O 3.12Å; R25-F106 HydrophobicContact CG-CD1 3.74Å; R25-F106 HydrophobicContact CG-CE1 3.8Å; R25-F106 HydrophobicContact CG-CG 4.31Å; R25-F106 HydrophobicContact CG-CZ 4.44Å; R25-P107 PolarHBondContact NH2-O 3.3Å; R25-S109 PolarHBondContact NH2-O 3.16Å
26A81.5Confident82.3Confident81 Ų8172.2 Ų72.267%0.66934%0.335SS*.Hα-helixtrans-79.9-31.5-172.500000113.8E22 L23 F24E22-A26 WeakPolarHBondContact O-CB 3.02Å; E22-A26 PolarHBondContact O-N 3.03Å; L23-A26 PolarHBondContact O-N 2.64Å; F24-A26 PolarHBondContact O-N 3.17Å
27K85.1Confident81.6Confident117 Ų11780.4 Ų80.451%0.50937%0.371SS..Hα-helixtrans-121.4-5.1-168.6-64.8-172.8178.5-1780114.9L23 W52L23-K27 HydrophobicContact CD2-CD 4.48Å; L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 PolarHBondContact O-N 2.89Å; K27-W52 HydrophobicContact CB-CH2 3.98Å; K27-W52 HydrophobicContact CB-CZ2 3.45Å; K27-W52 VanDerWaalsContact CB-CZ2 3.45Å; K27-W52 PolarHBondContact O-NE1 3.11Å
28M87.5Confident81Confident10 Ų1084 Ų845%0.04939%0.388CS..SBendtrans-65.3125.2174.5-178.873.6-165.100110F24 L30 F44 E48 A49 W52 F106F24-M28 HydrophobicContact CD2-SD 4.33Å; F24-M28 HydrophobicContact CE2-CG 4.26Å; F24-M28 HydrophobicContact CE2-SD 3.64Å; F24-M28 HydrophobicContact CZ-CG 4.35Å; F24-M28 HydrophobicContact CZ-SD 4.13Å; F24-M28 WeakPolarHBondContact O-CB 3.37Å; F24-M28 PolarHBondContact O-N 3.23Å; M28-L30 PolarHBondContact O-N 3.43Å; M28-F44 HydrophobicContact CE-CB 3.92Å; M28-F44 HydrophobicContact CE-CD2 4.12Å; M28-F44 HydrophobicContact CE-CG 3.98Å; M28-F44 HydrophobicContact CG-CD1 4.45Å; M28-E48 HydrophobicContact CE-CB 4.26Å; M28-A49 HydrophobicContact CE-CB 3.98Å; M28-W52 HydrophobicContact CE-CB 4.2Å; M28-W52 HydrophobicContact SD-CB 3.58Å; M28-W52 VanDerWaalsContact SD-CB 3.58Å; M28-W52 HydrophobicContact SD-CD2 3.81Å; M28-W52 HydrophobicContact SD-CE3 4.01Å; M28-W52 HydrophobicContact SD-CG 3.62Å; M28-F106 HydrophobicContact CB-CE2 4.01Å; M28-F106 HydrophobicContact CB-CZ 3.86Å; M28-F106 HydrophobicContact CG-CE2 4.16Å; M28-F106 HydrophobicContact CG-CZ 4.02Å
29P82.4Confident80.8Confident60 Ų6084.4 Ų84.439%0.3940%0.396SS..PPolyproline II helixtrans-69.7121.5179.527.4-33.4000110.6W52P29-W52 VanDerWaalsContact CD-CD1 3.46Å
30L85.8Confident80.6Confident73 Ų7384.9 Ų84.938%0.38240%0.395SS..PPolyproline II helixtrans-95.3128.8173.3-61.3-179000109.7M28 H42 F44 F106M28-L30 PolarHBondContact O-N 3.43Å; L30-H42 HydrophobicContact CD1-CB 4.23Å; L30-F44 HydrophobicContact CD2-CD1 3.54Å; L30-F44 HydrophobicContact CD2-CE1 4.11Å; L30-F106 HydrophobicContact CD1-CD2 4.26Å; L30-F106 HydrophobicContact CD2-CD2 3.81Å; L30-F106 HydrophobicContact CD2-CE2 3.72Å; L30-F106 HydrophobicContact CG-CE2 4.47Å
31R83.4Confident80.3Confident145 Ų14590.2 Ų90.255%0.54742%0.419SS..EExtended strand (participates in β ladder)trans-125.7169.2-177.1-70.7178175.7170.2-3.6111.1C43 E48R31-C43 PolarHBondContact N-O 3.4Å; R31-C43 PolarHBondContact O-N 3.1Å; R31-E48 IonicContact NH1-OE1 2.83Å; R31-E48 PolarHBondContact NH1-OE1 3.33Å
32K83.1Confident80.2Confident132 Ų13296.6 Ų96.657%0.57445%0.449SS*.EExtended strand (participates in β ladder)trans-88.9120170.6-174.5168.7-175.2157.40108.9Y40 E41K32-Y40 WeakPolarHBondContact CA-O 3.27Å; K32-E41 HydrophobicContact CD-CG 4.06Å; K32-E41 WeakPolarHBondContact CE-OE1 3.41Å; K32-E41 HydrophobicContact CG-CG 4.13Å; K32-E41 IonicContact NZ-OE1 2.73Å; K32-E41 PolarHBondContact NZ-OE1 3.35Å
33H82.9Confident80.3Confident33 Ų3392.2 Ų92.215%0.15343%0.428CS..EExtended strand (participates in β ladder)trans-116.5134.7177.6-65.7-89.8000110.7Y40 C43 E48 L103H33-Y40 PolarHBondContact N-O 3.25Å; H33-Y40 PolarHBondContact O-N 2.99Å; H33-C43 PolarHBondContact CD2-O 3.44Å; H33-E48 IonicContact CE1-OE1 3.7Å; H33-E48 IonicContact CE1-OE2 2.71Å; H33-E48 PolarHBondContact CE1-OE2 3.44Å; H33-E48 IonicContact NE2-OE2 2.92Å; H33-E48 PolarHBondContact NE2-OE2 2.81Å; H33-L103 HydrophobicContact CB-CD1 4.08Å; H33-L103 HydrophobicContact CB-CD2 3.57Å
34R74.4Confident80.6Confident184 Ų18489.9 Ų89.969%0.69442%0.416SS*.EExtended strand (participates in β ladder)trans-97.9119.8173.4-171.2175.9179.2174.8-0.5109.3K38R34-K38 WeakPolarHBondContact CA-O 2.82Å
35C72.3Confident80.7Confident51 Ų5190.8 Ų90.835%0.34542%0.422SS..EExtended strand (participates in β ladder)trans-136.3129.3177-174.70000109.5F37 K38 Y40 L103C35-F37 PolarHBondContact O-N 2.88Å; C35-K38 PolarHBondContact N-O 3.44Å; C35-K38 PolarHBondContact O-N 2.93Å; C35-K38 VanDerWaalsContact O-N 3.12Å; C35-K38 VanDerWaalsContact O-O 3.05Å; C35-Y40 HydrophobicContact CB-CE2 4.34Å; C35-L103 HydrophobicContact CB-CD1 3.65Å
36R63.5Low81Confident222 Ų22288.3 Ų88.384%0.83841%0.413SS*.THydrogen-bonded Turntrans47.656.5-180-60.3-177.2-178.3-168.70.1113.5K38R36-K38 PolarHBondContact O-N 3.01Å
37F67.8Low81.4Confident188 Ų18885.6 Ų85.683%0.82539%0.39SS*.THydrogen-bonded Turntrans61.40.5179.7-58.3-83.8000116.6C35C35-F37 PolarHBondContact O-N 2.88Å
38K72Confident81.6Confident141 Ų14182.2 Ų82.261%0.61338%0.376SS*.EExtended strand (participates in β ladder)trans-105.8142.7172.2-64.8-172.6177.9-172.90110.3R34 C35 R36 Y40R34-K38 WeakPolarHBondContact CA-O 2.82Å; C35-K38 PolarHBondContact N-O 3.44Å; C35-K38 PolarHBondContact O-N 2.93Å; C35-K38 VanDerWaalsContact O-N 3.12Å; C35-K38 VanDerWaalsContact O-O 3.05Å; R36-K38 PolarHBondContact O-N 3.01Å; K38-Y40 HydrophobicContact CB-CE2 3.96Å
39S79.9Confident81.8Confident68 Ų6881.7 Ų81.748%0.47637%0.374SS..EExtended strand (participates in β ladder)trans-102.2130.1173.7-59.20000108.8
40Y80.8Confident82.2Confident73 Ų7378.9 Ų78.929%0.28636%0.355SS..EExtended strand (participates in β ladder)trans-112.6132.6177.5-61.2-86.3000109.5K32 H33 C35 K38 C43 I88 L103K32-Y40 WeakPolarHBondContact CA-O 3.27Å; H33-Y40 PolarHBondContact N-O 3.25Å; H33-Y40 PolarHBondContact O-N 2.99Å; C35-Y40 HydrophobicContact CB-CE2 4.34Å; K38-Y40 HydrophobicContact CB-CE2 3.96Å; Y40-C43 PolarHBondContact O-SG 3.04Å; Y40-C43 VanDerWaalsContact O-SG 3.34Å; Y40-I88 HydrophobicContact CD1-CD1 3.66Å; Y40-I88 HydrophobicContact CD1-CG1 3.66Å; Y40-I88 HydrophobicContact CD2-CD1 4.01Å; Y40-I88 HydrophobicContact CE1-CD1 4.32Å; Y40-I88 HydrophobicContact CE1-CG1 4.04Å; Y40-I88 HydrophobicContact CE1-CG2 4.19Å; Y40-I88 HydrophobicContact CG-CD1 3.47Å; Y40-I88 VanDerWaalsContact CG-CD1 3.47Å; Y40-I88 HydrophobicContact CG-CG1 4.04Å; Y40-L103 HydrophobicContact CD2-CD1 3.87Å; Y40-L103 HydrophobicContact CE2-CD1 4.45Å
41E79.4Confident82.4Confident121 Ų12179.1 Ų79.157%0.56536%0.357SS*.EExtended strand (participates in β ladder)trans-102.4156178.7-61-172.216800109.9K32 C43K32-E41 HydrophobicContact CD-CG 4.06Å; K32-E41 WeakPolarHBondContact CE-OE1 3.41Å; K32-E41 HydrophobicContact CG-CG 4.13Å; K32-E41 IonicContact NZ-OE1 2.73Å; K32-E41 PolarHBondContact NZ-OE1 3.35Å; E41-C43 VanDerWaalsContact C-N 3.32Å; E41-C43 PolarHBondContact O-N 3.49Å
42H82.6Confident82.8Confident135 Ų13575 Ų7563%0.62534%0.342SS*.EExtended strand (participates in β ladder)trans5638.5-178-53.8-72.4000115L30L30-H42 HydrophobicContact CD1-CB 4.23Å
43C86.3Confident83.1Confident1 Ų168.7 Ų68.71%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-125.3169179.963.60000111.9R31 H33 Y40 E41 I88 Y104R31-C43 PolarHBondContact N-O 3.4Å; R31-C43 PolarHBondContact O-N 3.1Å; H33-C43 PolarHBondContact CD2-O 3.44Å; Y40-C43 PolarHBondContact O-SG 3.04Å; Y40-C43 VanDerWaalsContact O-SG 3.34Å; E41-C43 VanDerWaalsContact C-N 3.32Å; E41-C43 PolarHBondContact O-N 3.49Å; C43-I88 HydrophobicContact CB-CD1 3.82Å; C43-Y104 WeakPolarHBondContact CA-O 3.43Å; C43-Y104 WeakPolarHBondContact CB-O 3.15Å
44F90.1Very high83.4Confident0 Ų068.4 Ų68.40%031%0.313CS..EExtended strand (participates in β ladder)trans-143.4155.3176.753.2-92.1000110F24 M28 L30 A49 I85 L103 Y104 F106F24-F44 HydrophobicContact CZ-CZ 4.47Å; M28-F44 HydrophobicContact CE-CB 3.92Å; M28-F44 HydrophobicContact CE-CD2 4.12Å; M28-F44 HydrophobicContact CE-CG 3.98Å; M28-F44 HydrophobicContact CG-CD1 4.45Å; L30-F44 HydrophobicContact CD2-CD1 3.54Å; L30-F44 HydrophobicContact CD2-CE1 4.11Å; F44-A49 HydrophobicContact CD2-CB 3.65Å; F44-A49 HydrophobicContact CE2-CB 3.66Å; F44-I85 HydrophobicContact CZ-CB 4.48Å; F44-I85 HydrophobicContact CZ-CG2 3.87Å; F44-L103 WeakPolarHBondContact O-CA 3.43Å; F44-Y104 PolarHBondContact N-O 3.42Å; F44-Y104 PolarHBondContact O-N 2.9Å; F44-F106 HydrophobicContact CD1-CE2 4.26Å; F44-F106 HydrophobicContact CE1-CD1 4.43Å; F44-F106 AromaticContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CE1 4.18Å; F44-F106 AromaticContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CG 4.3Å; F44-F106 AromaticContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CZ-CE1 4.28Å; F44-F106 HydrophobicContact CZ-CE2 4.46Å; F44-F106 HydrophobicContact CZ-CZ 4.16Å
45T90.3Very high84Confident19 Ų1965.1 Ų65.112%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-80153.3171.260.40000111.4A47 E48 A49 H102 L103T45-A47 PolarHBondContact O-N 3.01Å; T45-E48 WeakPolarHBondContact CB-OE2 3.46Å; T45-E48 PolarHBondContact N-OE2 3.37Å; T45-E48 PolarHBondContact O-N 2.87Å; T45-E48 WeakPolarHBondContact OG1-CB 3.35Å; T45-E48 VanDerWaalsContact OG1-CD 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.37Å; T45-E48 PolarHBondContact OG1-N 3.01Å; T45-E48 PolarHBondContact OG1-OE2 3.05Å; T45-A49 PolarHBondContact O-N 3.43Å; T45-H102 CarbonylContact C-O 3.24Å; T45-H102 WeakPolarHBondContact CA-O 3.19Å; T45-L103 HydrophobicContact CG2-CD2 3.74Å
46A90.4Very high84.7Confident0 Ų064.3 Ų64.30%030%0.297CS..Hα-helixtrans-55-41.317300000112.5E48 A49 V50 F97 E98 N100 H102 Y104A46-E48 PolarHBondContact O-N 3.3Å; A46-A49 PolarHBondContact O-N 3.36Å; A46-V50 VanDerWaalsContact O-CG2 3.27Å; A46-V50 WeakPolarHBondContact O-CG2 3.43Å; A46-V50 PolarHBondContact O-N 3.29Å; A46-F97 HydrophobicContact CB-CE1 4.39Å; A46-F97 HydrophobicContact CB-CE2 3.64Å; A46-F97 HydrophobicContact CB-CZ 3.51Å; A46-E98 WeakPolarHBondContact CB-O 3.19Å; A46-N100 WeakPolarHBondContact CB-O 3.43Å; A46-H102 PolarHBondContact N-O 3.48Å; A46-Y104 HydrophobicContact CB-CD2 4.04Å; A46-Y104 HydrophobicContact CB-CE2 3.71Å
47A88.9Confident85.7Confident25 Ų2554 Ų5421%0.20726%0.259CS..Hα-helixtrans-59.7-45.3176.200000113T45 A49 V50 D51 D99 N100T45-A47 PolarHBondContact O-N 3.01Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.3Å; A47-V50 PolarHBondContact O-N 3.02Å; A47-D51 VanDerWaalsContact O-CG 3.23Å; A47-D51 PolarHBondContact O-N 2.95Å; A47-D99 VanDerWaalsContact CA-OD1 3.29Å; A47-D99 WeakPolarHBondContact CA-OD1 3.23Å; A47-N100 PolarHBondContact N-O 2.92Å
48E90.3Very high86.5Confident45 Ų4550.7 Ų50.721%0.2124%0.241CC..Hα-helixtrans-63.6-38.9176.4-74.5165.2139.400111.8M28 R31 H33 T45 A46 D51 W52M28-E48 HydrophobicContact CE-CB 4.26Å; R31-E48 IonicContact NH1-OE1 2.83Å; R31-E48 PolarHBondContact NH1-OE1 3.33Å; H33-E48 IonicContact CE1-OE1 3.7Å; H33-E48 IonicContact CE1-OE2 2.71Å; H33-E48 PolarHBondContact CE1-OE2 3.44Å; H33-E48 IonicContact NE2-OE2 2.92Å; H33-E48 PolarHBondContact NE2-OE2 2.81Å; T45-E48 WeakPolarHBondContact CB-OE2 3.46Å; T45-E48 PolarHBondContact N-OE2 3.37Å; T45-E48 PolarHBondContact O-N 2.87Å; T45-E48 WeakPolarHBondContact OG1-CB 3.35Å; T45-E48 VanDerWaalsContact OG1-CD 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.37Å; T45-E48 PolarHBondContact OG1-N 3.01Å; T45-E48 PolarHBondContact OG1-OE2 3.05Å; A46-E48 PolarHBondContact O-N 3.3Å; E48-D51 PolarHBondContact O-N 3.43Å; E48-W52 WeakPolarHBondContact O-CB 3.18Å; E48-W52 PolarHBondContact O-N 2.95Å
49A91.5Very high86.8Confident0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-63.6-40.5174.800000112.6F24 M28 F44 T45 A46 A47 L53 L76F24-A49 HydrophobicContact CE2-CB 4.39Å; F24-A49 HydrophobicContact CZ-CB 4.04Å; M28-A49 HydrophobicContact CE-CB 3.98Å; F44-A49 HydrophobicContact CD2-CB 3.65Å; F44-A49 HydrophobicContact CE2-CB 3.66Å; T45-A49 PolarHBondContact O-N 3.43Å; A46-A49 PolarHBondContact O-N 3.36Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.3Å; A49-L53 WeakPolarHBondContact O-CB 3.37Å; A49-L53 PolarHBondContact O-N 2.87Å; A49-L76 HydrophobicContact CB-CD1 4.27Å; A49-L76 HydrophobicContact CB-CD2 4.41Å
50V91.8Very high86.8Confident0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-65.5-48.2175.7174.50000110.2A46 A47 W52 H54 R69 T72 V73 L76 F97 D99A46-V50 VanDerWaalsContact O-CG2 3.27Å; A46-V50 WeakPolarHBondContact O-CG2 3.43Å; A46-V50 PolarHBondContact O-N 3.29Å; A47-V50 PolarHBondContact O-N 3.02Å; V50-W52 PolarHBondContact O-N 3.47Å; V50-H54 WeakPolarHBondContact O-CB 3.23Å; V50-H54 PolarHBondContact O-N 3.33Å; V50-R69 HydrophobicContact CG1-CG 3.49Å; V50-R69 VanDerWaalsContact CG1-CG 3.49Å; V50-T72 HydrophobicContact CG1-CG2 4.44Å; V50-V73 HydrophobicContact CG1-CG2 4.15Å; V50-V73 HydrophobicContact CG2-CG2 3.81Å; V50-L76 HydrophobicContact CB-CD1 4.3Å; V50-L76 HydrophobicContact CG2-CD1 3.55Å; V50-F97 HydrophobicContact CG2-CE1 3.81Å; V50-F97 HydrophobicContact CG2-CZ 4.06Å; V50-D99 HydrophobicContact CG2-CB 4.34Å
51D89.4Confident86.2Confident79 Ų7948.2 Ų48.242%0.42224%0.236SC..Hα-helixtrans-57-49.8179.5-70.1-24.6000111.4A47 E48 E55 R69A47-D51 VanDerWaalsContact O-CG 3.23Å; A47-D51 PolarHBondContact O-N 2.95Å; E48-D51 PolarHBondContact O-N 3.43Å; D51-E55 PolarHBondContact O-N 3.36Å; D51-E55 VanDerWaalsContact O-N 3.1Å; D51-R69 IonicContact OD1-CZ 3.33Å; D51-R69 IonicContact OD1-NH1 3.12Å; D51-R69 PolarHBondContact OD1-NH1 3.34Å; D51-R69 IonicContact OD1-NH2 3.13Å; D51-R69 PolarHBondContact OD1-NH2 3.49Å
52W91.3Very high85.9Confident58 Ų5844.1 Ų44.122%0.2222%0.218CC..Hα-helixtrans-68.2-46.8-176.8-171.594.3000112.3L23 F24 K27 M28 P29 E48 V50 H54 E55 L56L23-W52 WeakPolarHBondContact O-CH2 3.37Å; F24-W52 HydrophobicContact CB-CZ3 4.1Å; F24-W52 AromaticContact CD2-CE3 3.57Å; F24-W52 HydrophobicContact CD2-CE3 3.57Å; F24-W52 AromaticContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CD2-CZ3 3.57Å; F24-W52 HydrophobicContact CE2-CE3 4.04Å; F24-W52 HydrophobicContact CE2-CZ3 4.47Å; F24-W52 HydrophobicContact CG-CZ3 4.29Å; K27-W52 HydrophobicContact CB-CH2 3.98Å; K27-W52 HydrophobicContact CB-CZ2 3.45Å; K27-W52 VanDerWaalsContact CB-CZ2 3.45Å; K27-W52 PolarHBondContact O-NE1 3.11Å; M28-W52 HydrophobicContact CE-CB 4.2Å; M28-W52 HydrophobicContact SD-CB 3.58Å; M28-W52 VanDerWaalsContact SD-CB 3.58Å; M28-W52 HydrophobicContact SD-CD2 3.81Å; M28-W52 HydrophobicContact SD-CE3 4.01Å; M28-W52 HydrophobicContact SD-CG 3.62Å; P29-W52 VanDerWaalsContact CD-CD1 3.46Å; E48-W52 WeakPolarHBondContact O-CB 3.18Å; E48-W52 PolarHBondContact O-N 2.95Å; V50-W52 PolarHBondContact O-N 3.47Å; W52-H54 VanDerWaalsContact C-N 3.29Å; W52-H54 PolarHBondContact O-N 3.44Å; W52-E55 PolarHBondContact O-N 3.18Å; W52-L56 HydrophobicContact CE3-CB 4.42Å; W52-L56 HydrophobicContact CH2-CB 4.37Å; W52-L56 HydrophobicContact CH2-CD1 4.16Å; W52-L56 HydrophobicContact CH2-CD2 3.8Å; W52-L56 HydrophobicContact CH2-CG 4.33Å; W52-L56 HydrophobicContact CZ3-CB 4.06Å; W52-L56 HydrophobicContact CZ3-CD2 3.6Å; W52-L56 HydrophobicContact CZ3-CG 4.27Å; W52-L56 PolarHBondContact O-N 3.28Å
53L89.7Confident85.5Confident0 Ų041.6 Ų41.60%021%0.206CC..Hα-helixtrans-68.7-33.3-179.5-175.163000111.3T20 F24 A49 L56 L57 T72 L75 L76 F79T20-L53 HydrophobicContact CG2-CD1 3.74Å; F24-L53 HydrophobicContact CD2-CB 4.16Å; F24-L53 HydrophobicContact CD2-CD1 3.92Å; F24-L53 HydrophobicContact CD2-CG 4.45Å; F24-L53 HydrophobicContact CE2-CB 4.06Å; A49-L53 WeakPolarHBondContact O-CB 3.37Å; A49-L53 PolarHBondContact O-N 2.87Å; L53-L56 HydrophobicContact CD1-CD2 4.16Å; L53-L56 PolarHBondContact O-N 3.44Å; L53-L57 HydrophobicContact CD1-CG 4.43Å; L53-L57 HydrophobicContact CG-CD1 4.13Å; L53-L57 HydrophobicContact CG-CG 4.42Å; L53-L57 WeakPolarHBondContact O-CB 2.9Å; L53-L57 WeakPolarHBondContact O-CG 3.32Å; L53-L57 PolarHBondContact O-N 2.84Å; L53-T72 HydrophobicContact CB-CG2 3.77Å; L53-T72 HydrophobicContact CD2-CG2 3.86Å; L53-T72 HydrophobicContact CG-CG2 3.81Å; L53-L75 HydrophobicContact CD2-CD2 4.06Å; L53-L75 HydrophobicContact CD2-CG 4.39Å; L53-L76 HydrophobicContact CD2-CD1 4.15Å; L53-L76 HydrophobicContact CD2-CD2 3.82Å; L53-L76 HydrophobicContact CD2-CG 3.68Å; L53-F79 HydrophobicContact CD2-CE2 4.32Å
54H89.2Confident84.6Confident26 Ų2642.5 Ų42.512%0.1222%0.215CC..Hα-helixtrans-63.4-45.9175.4-17367.6000111.1V50 W52 L56 L57 R58 V67 R69 T72V50-H54 WeakPolarHBondContact O-CB 3.23Å; V50-H54 PolarHBondContact O-N 3.33Å; W52-H54 VanDerWaalsContact C-N 3.29Å; W52-H54 PolarHBondContact O-N 3.44Å; H54-L56 PolarHBondContact O-N 3.05Å; H54-L57 PolarHBondContact O-N 3.46Å; H54-R58 WeakPolarHBondContact O-CG 3.42Å; H54-R58 PolarHBondContact O-N 3.31Å; H54-V67 PolarHBondContact CE1-O 3.43Å; H54-R69 PolarHBondContact CE1-N 3.04Å; H54-R69 VanDerWaalsContact CE1-N 3.3Å; H54-T72 HydrophobicContact CB-CG2 4.1Å; H54-T72 PolarHBondContact ND1-OG1 2.8Å; H54-T72 VanDerWaalsContact ND1-OG1 3.16Å
55E87.3Confident83.7Confident115 Ų11546.8 Ų46.854%0.53724%0.242SC..Hα-helixtrans-61.6-43.2175.4-167.859.8-149.700111.7D51 W52 L57 R58 C59D51-E55 PolarHBondContact O-N 3.36Å; D51-E55 VanDerWaalsContact O-N 3.1Å; W52-E55 PolarHBondContact O-N 3.18Å; E55-L57 PolarHBondContact O-N 3.34Å; E55-R58 PolarHBondContact O-N 2.68Å; E55-C59 WeakPolarHBondContact O-CB 3.13Å; E55-C59 PolarHBondContact O-N 3.26Å; E55-C59 PolarHBondContact O-SG 3.37Å
56L85.9Confident83Confident34 Ų3454.1 Ų54.118%0.17828%0.276CS..Hα-helixtrans-58.9-46.6176.6-176.773.3000111.8T20 L23 W52 L53 H54 C59 S60T20-L56 HydrophobicContact CG2-CD2 4.44Å; L23-L56 HydrophobicContact CB-CD2 3.95Å; L23-L56 HydrophobicContact CD1-CD1 4.36Å; L23-L56 HydrophobicContact CD1-CD2 4.47Å; W52-L56 HydrophobicContact CE3-CB 4.42Å; W52-L56 HydrophobicContact CH2-CB 4.37Å; W52-L56 HydrophobicContact CH2-CD1 4.16Å; W52-L56 HydrophobicContact CH2-CD2 3.8Å; W52-L56 HydrophobicContact CH2-CG 4.33Å; W52-L56 HydrophobicContact CZ3-CB 4.06Å; W52-L56 HydrophobicContact CZ3-CD2 3.6Å; W52-L56 HydrophobicContact CZ3-CG 4.27Å; W52-L56 PolarHBondContact O-N 3.28Å; L53-L56 HydrophobicContact CD1-CD2 4.16Å; L53-L56 PolarHBondContact O-N 3.44Å; H54-L56 PolarHBondContact O-N 3.05Å; L56-C59 PolarHBondContact O-N 3.06Å; L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 3Å; L56-S60 VanDerWaalsContact O-N 3.11Å
57L85.9Confident82.7Confident7 Ų755 Ų554%0.03728%0.281CS..Hα-helixtrans-66.2-38.8-178.9-69.8171.1000111.3T20 L53 H54 E55 S60 F63 V67 T72 L75T20-L57 HydrophobicContact CG2-CD2 4.31Å; L53-L57 HydrophobicContact CD1-CG 4.43Å; L53-L57 HydrophobicContact CG-CD1 4.13Å; L53-L57 HydrophobicContact CG-CG 4.42Å; L53-L57 WeakPolarHBondContact O-CB 2.9Å; L53-L57 WeakPolarHBondContact O-CG 3.32Å; L53-L57 PolarHBondContact O-N 2.84Å; H54-L57 PolarHBondContact O-N 3.46Å; E55-L57 PolarHBondContact O-N 3.34Å; L57-S60 PolarHBondContact O-N 2.94Å; L57-S60 PolarHBondContact O-OG 3.17Å; L57-F63 HydrophobicContact CD2-CD1 4.3Å; L57-F63 HydrophobicContact CD2-CD2 4Å; L57-F63 HydrophobicContact CD2-CE1 4.34Å; L57-F63 HydrophobicContact CD2-CE2 4.01Å; L57-F63 HydrophobicContact CD2-CG 4.12Å; L57-F63 HydrophobicContact CD2-CZ 4.18Å; L57-V67 HydrophobicContact CB-CB 4.42Å; L57-V67 HydrophobicContact CB-CG1 4.15Å; L57-V67 HydrophobicContact CB-CG2 4.28Å; L57-V67 HydrophobicContact CD1-CG1 4.03Å; L57-T72 HydrophobicContact CD1-CG2 4.33Å; L57-L75 HydrophobicContact CD1-CD2 4.01Å; L57-L75 HydrophobicContact CD2-CD2 4.39Å
58R83.5Confident82.6Confident117 Ų11757.2 Ų57.244%0.44229%0.292SS..Hα-helixtrans-69.3-36.5176.9-68.1-172.794.6162.96.5113.2H54 E55 S60 P65H54-R58 WeakPolarHBondContact O-CG 3.42Å; H54-R58 PolarHBondContact O-N 3.31Å; E55-R58 PolarHBondContact O-N 2.68Å; R58-S60 PolarHBondContact O-N 3.2Å; R58-P65 PolarHBondContact NE-O 3.18Å; R58-P65 VanDerWaalsContact NE-O 3.13Å; R58-P65 PolarHBondContact NH2-O 2.91Å
59C78.8Confident82.6Confident74 Ų7459.4 Ų59.450%0.530%0.298SS..Hα-helixtrans-72.6-18.8176.2-70.40000113E55 L56E55-C59 WeakPolarHBondContact O-CB 3.13Å; E55-C59 PolarHBondContact O-N 3.26Å; E55-C59 PolarHBondContact O-SG 3.37Å; L56-C59 PolarHBondContact O-N 3.06Å
60S78.9Confident82.4Confident18 Ų1867.6 Ų67.613%0.12633%0.334CS..  trans-79.3125.9-177.874.30000112.1L56 L57 R58 N62 F63 G64L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 3Å; L56-S60 VanDerWaalsContact O-N 3.11Å; L57-S60 PolarHBondContact O-N 2.94Å; L57-S60 PolarHBondContact O-OG 3.17Å; R58-S60 PolarHBondContact O-N 3.2Å; S60-N62 PolarHBondContact O-N 3.49Å; S60-F63 PolarHBondContact O-N 3.16Å; S60-F63 WeakPolarHBondContact OG-CD2 3.47Å; S60-G64 PolarHBondContact O-N 3.06Å; S60-G64 VanDerWaalsContact O-N 3.11Å
61Q68.9Low82.2Confident138 Ų13872.1 Ų72.165%0.64536%0.355SS*.THydrogen-bonded Turntrans-62.9-16.3-179.8-129.3168.518.800113.5
62N73.1Confident82.2Confident35 Ų3568.4 Ų68.419%0.18734%0.335CS..THydrogen-bonded Turntrans-86.6-24.2-178.7-68.3-49.3000114.3V6 L16 S60V6-N62 PolarHBondContact N-OD1 3.37Å; L16-N62 HydrophobicContact CD2-CB 3.75Å; S60-N62 PolarHBondContact O-N 3.49Å
63F73.6Confident82.2Confident83 Ų8366.7 Ų66.736%0.36433%0.331SS..THydrogen-bonded Turntrans-112.1-28.3-177.1-65.8-92.6000112.7L16 L57 S60 V67L16-F63 HydrophobicContact CB-CE2 4.39Å; L16-F63 HydrophobicContact CB-CZ 4.04Å; L16-F63 HydrophobicContact CD1-CZ 4.39Å; L16-F63 HydrophobicContact CD2-CE2 4.13Å; L57-F63 HydrophobicContact CD2-CD1 4.3Å; L57-F63 HydrophobicContact CD2-CD2 4Å; L57-F63 HydrophobicContact CD2-CE1 4.34Å; L57-F63 HydrophobicContact CD2-CE2 4.01Å; L57-F63 HydrophobicContact CD2-CG 4.12Å; L57-F63 HydrophobicContact CD2-CZ 4.18Å; S60-F63 PolarHBondContact O-N 3.16Å; S60-F63 WeakPolarHBondContact OG-CD2 3.47Å; F63-V67 HydrophobicContact CB-CG2 3.88Å
64G67.4Low82.2Confident19 Ų1972.7 Ų72.720%0.19636%0.359CS..  trans75.1173.4175.200000114.8S60 E66S60-G64 PolarHBondContact O-N 3.06Å; S60-G64 VanDerWaalsContact O-N 3.11Å; G64-E66 PolarHBondContact O-N 3.37Å
65P72.1Confident82.2Confident90 Ų9073.2 Ų73.258%0.58436%0.362SS*.THydrogen-bonded Turntrans-74.3-1.4-175.330.1-35.4000114.8R58R58-P65 PolarHBondContact NE-O 3.18Å; R58-P65 VanDerWaalsContact NE-O 3.13Å; R58-P65 PolarHBondContact NH2-O 2.91Å
66E75.4Confident82.4Confident174 Ų17467.7 Ų67.781%0.81334%0.337SS*.THydrogen-bonded Turntrans-83.5-7.9-176.9-62.8-167.5162.100114.4G64 T68G64-E66 PolarHBondContact O-N 3.37Å; E66-T68 PolarHBondContact O-N 2.96Å
67V83.2Confident82.6Confident19 Ų1969.1 Ų69.112%0.11534%0.341CS..  trans-62126.3178.2-179.70000109.7H54 L57 F63 Q71H54-V67 PolarHBondContact CE1-O 3.43Å; L57-V67 HydrophobicContact CB-CB 4.42Å; L57-V67 HydrophobicContact CB-CG1 4.15Å; L57-V67 HydrophobicContact CB-CG2 4.28Å; L57-V67 HydrophobicContact CD1-CG1 4.03Å; F63-V67 HydrophobicContact CB-CG2 3.88Å; V67-Q71 HydrophobicContact CG1-CB 4.41Å
68T88Confident82.7Confident70 Ų7072.7 Ų72.743%0.42936%0.357SS..  trans-90151.6177.264.50000111.4E66 K70 Q71 T72E66-T68 PolarHBondContact O-N 2.96Å; T68-K70 PolarHBondContact O-N 2.96Å; T68-Q71 WeakPolarHBondContact O-CB 3.41Å; T68-Q71 PolarHBondContact O-N 2.95Å; T68-Q71 VanDerWaalsContact OG1-CD 3.3Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.49Å; T68-Q71 PolarHBondContact OG1-N 3.22Å; T68-Q71 PolarHBondContact OG1-OE1 3.23Å; T68-T72 PolarHBondContact O-N 3.45Å; T68-T72 VanDerWaalsContact O-N 3.16Å; T68-T72 PolarHBondContact O-OG1 3.32Å
69R89.2Confident83Confident91 Ų9167.1 Ų67.134%0.34334%0.336SS..Hα-helixtrans-55.7-34.9175.9-167.5-178.6-177.196.75.9112.4V50 D51 H54 Q71 T72 V73 D99V50-R69 HydrophobicContact CG1-CG 3.49Å; V50-R69 VanDerWaalsContact CG1-CG 3.49Å; D51-R69 IonicContact OD1-CZ 3.33Å; D51-R69 IonicContact OD1-NH1 3.12Å; D51-R69 PolarHBondContact OD1-NH1 3.34Å; D51-R69 IonicContact OD1-NH2 3.13Å; D51-R69 PolarHBondContact OD1-NH2 3.49Å; H54-R69 PolarHBondContact CE1-N 3.04Å; H54-R69 VanDerWaalsContact CE1-N 3.3Å; R69-Q71 PolarHBondContact O-N 2.89Å; R69-T72 WeakPolarHBondContact O-CB 3.41Å; R69-T72 PolarHBondContact O-N 2.68Å; R69-V73 WeakPolarHBondContact O-CG2 3.28Å; R69-V73 PolarHBondContact O-N 3.33Å; R69-D99 IonicContact CZ-OD2 3.14Å; R69-D99 IonicContact NE-OD2 2.8Å; R69-D99 PolarHBondContact NE-OD2 3.35Å; R69-D99 IonicContact NH2-OD1 2.69Å; R69-D99 PolarHBondContact NH2-OD1 3.5Å; R69-D99 IonicContact NH2-OD2 2.68Å; R69-D99 PolarHBondContact NH2-OD2 3.14Å; R69-D99 VanDerWaalsContact NH2-OD2 3.13Å
70K87.4Confident83.4Confident172 Ų17263.8 Ų63.875%0.74831%0.313SS*.Hα-helixtrans-63.6-39176-69.3-176.9178.9178.90112.5T68 V73 Q74T68-K70 PolarHBondContact O-N 2.96Å; K70-V73 PolarHBondContact O-N 3.19Å; K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.47Å
71Q87.6Confident83.8Confident96 Ų9667.3 Ų67.345%0.44933%0.326SS..Hα-helixtrans-68.4-35.6174.8-72.2162.3-39.900111.6V67 T68 R69 V73 Q74 L75V67-Q71 HydrophobicContact CG1-CB 4.41Å; T68-Q71 WeakPolarHBondContact O-CB 3.41Å; T68-Q71 PolarHBondContact O-N 2.95Å; T68-Q71 VanDerWaalsContact OG1-CD 3.3Å; T68-Q71 WeakPolarHBondContact OG1-CG 3.49Å; T68-Q71 PolarHBondContact OG1-N 3.22Å; T68-Q71 PolarHBondContact OG1-OE1 3.23Å; R69-Q71 PolarHBondContact O-N 2.89Å; Q71-V73 PolarHBondContact O-N 3.4Å; Q71-Q74 WeakPolarHBondContact O-CB 3.46Å; Q71-Q74 PolarHBondContact O-N 3.46Å; Q71-L75 PolarHBondContact O-N 3.47Å
72T90.5Very high84.5Confident0 Ų064.5 Ų64.50%032%0.315CS..Hα-helixtrans-61.3-42.9172.5-50.80000111.7V50 L53 H54 L57 T68 R69 Q74 L75 L76V50-T72 HydrophobicContact CG1-CG2 4.44Å; L53-T72 HydrophobicContact CB-CG2 3.77Å; L53-T72 HydrophobicContact CD2-CG2 3.86Å; L53-T72 HydrophobicContact CG-CG2 3.81Å; H54-T72 HydrophobicContact CB-CG2 4.1Å; H54-T72 PolarHBondContact ND1-OG1 2.8Å; H54-T72 VanDerWaalsContact ND1-OG1 3.16Å; L57-T72 HydrophobicContact CD1-CG2 4.33Å; T68-T72 PolarHBondContact O-N 3.45Å; T68-T72 VanDerWaalsContact O-N 3.16Å; T68-T72 PolarHBondContact O-OG1 3.32Å; R69-T72 WeakPolarHBondContact O-CB 3.41Å; R69-T72 PolarHBondContact O-N 2.68Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; T72-Q74 PolarHBondContact O-N 3.42Å; T72-L75 WeakPolarHBondContact O-CB 3.32Å; T72-L75 PolarHBondContact O-N 3.49Å; T72-L76 HydrophobicContact CG2-CD1 4.35Å; T72-L76 PolarHBondContact O-N 3.26Å
73V91.2Very high85.1Confident23 Ų2364.5 Ų64.514%0.13931%0.314CS..Hα-helixtrans-62.1-41.2174.1176.10000111.1V50 R69 K70 Q71 L75 L76 K77 F97 D99V50-V73 HydrophobicContact CG1-CG2 4.15Å; V50-V73 HydrophobicContact CG2-CG2 3.81Å; R69-V73 WeakPolarHBondContact O-CG2 3.28Å; R69-V73 PolarHBondContact O-N 3.33Å; K70-V73 PolarHBondContact O-N 3.19Å; Q71-V73 PolarHBondContact O-N 3.4Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3Å; V73-L76 PolarHBondContact O-N 3.44Å; V73-K77 WeakPolarHBondContact O-CG 3.46Å; V73-K77 PolarHBondContact O-N 3.08Å; V73-F97 HydrophobicContact CG1-CD1 4.01Å; V73-F97 HydrophobicContact CG1-CE1 4.32Å; V73-D99 HydrophobicContact CG2-CB 4.08Å
74Q88.8Confident85.7Confident126 Ų12660.7 Ų60.759%0.58930%0.297SS*.Hα-helixtrans-62.2-37175-72.2177.6-13.100112.4K70 Q71 T72 K77 K78K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.47Å; Q71-Q74 WeakPolarHBondContact O-CB 3.46Å; Q71-Q74 PolarHBondContact O-N 3.46Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; T72-Q74 PolarHBondContact O-N 3.42Å; Q74-K77 WeakPolarHBondContact O-CB 3.22Å; Q74-K77 PolarHBondContact O-N 2.93Å; Q74-K78 PolarHBondContact O-N 2.93Å
75L90.6Very high86.6Confident36 Ų3659.8 Ų59.819%0.18829%0.288CS..Hα-helixtrans-66.7-41.9174.5-174.360.2000111.5W17 T20 L53 L57 Q71 T72 V73 K77 K78 F79W17-L75 HydrophobicContact CE3-CD1 3.84Å; W17-L75 HydrophobicContact CH2-CD1 4.44Å; W17-L75 HydrophobicContact CZ3-CD1 3.47Å; W17-L75 VanDerWaalsContact CZ3-CD1 3.47Å; T20-L75 HydrophobicContact CG2-CD2 4.27Å; L53-L75 HydrophobicContact CD2-CD2 4.06Å; L53-L75 HydrophobicContact CD2-CG 4.39Å; L57-L75 HydrophobicContact CD1-CD2 4.01Å; L57-L75 HydrophobicContact CD2-CD2 4.39Å; Q71-L75 PolarHBondContact O-N 3.47Å; T72-L75 WeakPolarHBondContact O-CB 3.32Å; T72-L75 PolarHBondContact O-N 3.49Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 2.96Å; L75-K78 CarbonylContact O-C 3.26Å; L75-K78 WeakPolarHBondContact O-CA 3.47Å; L75-K78 WeakPolarHBondContact O-CB 3.48Å; L75-K78 PolarHBondContact O-N 3.17Å; L75-F79 HydrophobicContact CD1-CD1 4.38Å; L75-F79 HydrophobicContact CD1-CE1 3.86Å; L75-F79 HydrophobicContact CD2-CE1 4.48Å; L75-F79 HydrophobicContact CD2-CZ 4.44Å; L75-F79 HydrophobicContact CG-CD1 4.35Å; L75-F79 HydrophobicContact CG-CE1 3.88Å; L75-F79 HydrophobicContact CG-CZ 4.25Å; L75-F79 WeakPolarHBondContact O-CD1 3.38Å; L75-F79 PolarHBondContact O-N 2.77Å
76L90.4Very high87.4Confident0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-66.2-33.7176.1-75.1163.4000112.9F24 A49 V50 L53 T72 V73 K78 F79 L80 I85 F97F24-L76 HydrophobicContact CE1-CD2 4.33Å; F24-L76 HydrophobicContact CE2-CD2 4.33Å; F24-L76 HydrophobicContact CZ-CD2 3.86Å; A49-L76 HydrophobicContact CB-CD1 4.27Å; A49-L76 HydrophobicContact CB-CD2 4.41Å; V50-L76 HydrophobicContact CB-CD1 4.3Å; V50-L76 HydrophobicContact CG2-CD1 3.55Å; L53-L76 HydrophobicContact CD2-CD1 4.15Å; L53-L76 HydrophobicContact CD2-CD2 3.82Å; L53-L76 HydrophobicContact CD2-CG 3.68Å; T72-L76 HydrophobicContact CG2-CD1 4.35Å; T72-L76 PolarHBondContact O-N 3.26Å; V73-L76 PolarHBondContact O-N 3.44Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 3.46Å; L76-F79 HydrophobicContact CD2-CD2 4.01Å; L76-F79 WeakPolarHBondContact O-CB 3.37Å; L76-F79 PolarHBondContact O-N 2.97Å; L76-F79 VanDerWaalsContact O-N 3.08Å; L76-L80 PolarHBondContact O-N 3.45Å; L76-I85 HydrophobicContact CD2-CD1 4.24Å; L76-F97 HydrophobicContact CB-CD1 3.6Å; L76-F97 HydrophobicContact CB-CD2 4.42Å; L76-F97 HydrophobicContact CB-CE1 3.48Å; L76-F97 VanDerWaalsContact CB-CE1 3.48Å; L76-F97 HydrophobicContact CB-CE2 4.3Å; L76-F97 HydrophobicContact CB-CG 4.1Å; L76-F97 HydrophobicContact CB-CZ 3.86Å; L76-F97 HydrophobicContact CD1-CE1 3.65Å; L76-F97 HydrophobicContact CD1-CZ 3.68Å; L76-F97 HydrophobicContact CG-CE1 4.16Å; L76-F97 HydrophobicContact CG-CZ 4.25Å
77K90.1Very high87.9Confident63 Ų6348.7 Ų48.727%0.27423%0.229SC..Hα-helixtrans-57-41.8167.9-75.7179.8173.2-159.20111.7V73 Q74 L75 L80 K81 E95 F97V73-K77 WeakPolarHBondContact O-CG 3.46Å; V73-K77 PolarHBondContact O-N 3.08Å; Q74-K77 WeakPolarHBondContact O-CB 3.22Å; Q74-K77 PolarHBondContact O-N 2.93Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 2.96Å; K77-L80 PolarHBondContact O-N 2.99Å; K77-K81 PolarHBondContact O-N 3.32Å; K77-K81 VanDerWaalsContact O-N 3.08Å; K77-E95 HydrophobicContact CB-CB 4.17Å; K77-E95 VanDerWaalsContact CD-O 3.32Å; K77-E95 WeakPolarHBondContact CD-O 2.96Å; K77-E95 WeakPolarHBondContact CE-O 3.45Å; K77-F97 HydrophobicContact CB-CB 4.45Å; K77-F97 WeakPolarHBondContact CE-O 3.35Å; K77-F97 HydrophobicContact CG-CB 3.74Å
78K88.8Confident87.9Confident83 Ų8349 Ų4936%0.36123%0.23SC..Hα-helixtrans-70.7-30.7175-60.6-62-178.5-166.90112.3W17 Q74 L75 L76 K81 N82 E95W17-K78 HydrophobicContact CH2-CB 3.53Å; W17-K78 HydrophobicContact CZ3-CB 3.77Å; Q74-K78 PolarHBondContact O-N 2.93Å; L75-K78 CarbonylContact O-C 3.26Å; L75-K78 WeakPolarHBondContact O-CA 3.47Å; L75-K78 WeakPolarHBondContact O-CB 3.48Å; L75-K78 PolarHBondContact O-N 3.17Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 3.46Å; K78-K81 PolarHBondContact O-N 3.39Å; K78-N82 WeakPolarHBondContact O-CB 3.44Å; K78-N82 PolarHBondContact O-N 2.68Å; K78-N82 PolarHBondContact O-ND2 2.8Å; K78-E95 IonicContact NZ-OE1 2.67Å; K78-E95 PolarHBondContact NZ-OE1 2.94Å; K78-E95 IonicContact NZ-OE2 2.99Å; K78-E95 PolarHBondContact NZ-OE2 3.34Å
79F89.4Confident87.4Confident0 Ų052.9 Ų52.90%024%0.241CC..Hα-helixtrans-65.7-42.3173.9-78.718.2000111.2W17 T20 V21 F24 L53 L75 L76 N82 H83 V84 I85W17-F79 HydrophobicContact CD2-CE1 4.42Å; W17-F79 HydrophobicContact CE3-CE1 4.16Å; W17-F79 AromaticContact CH2-CD1 3.4Å; W17-F79 HydrophobicContact CH2-CD1 3.4Å; W17-F79 VanDerWaalsContact CH2-CD1 3.4Å; W17-F79 AromaticContact CH2-CE1 3.63Å; W17-F79 HydrophobicContact CH2-CE1 3.63Å; W17-F79 AromaticContact CZ2-CD1 3.76Å; W17-F79 HydrophobicContact CZ2-CD1 3.76Å; W17-F79 AromaticContact CZ2-CE1 3.87Å; W17-F79 HydrophobicContact CZ2-CE1 3.87Å; W17-F79 AromaticContact CZ3-CD1 3.96Å; W17-F79 HydrophobicContact CZ3-CD1 3.96Å; W17-F79 AromaticContact CZ3-CE1 3.8Å; W17-F79 HydrophobicContact CZ3-CE1 3.8Å; T20-F79 HydrophobicContact CG2-CZ 4.13Å; V21-F79 HydrophobicContact CG2-CD1 4.37Å; V21-F79 HydrophobicContact CG2-CE1 3.64Å; V21-F79 HydrophobicContact CG2-CE2 4.24Å; V21-F79 HydrophobicContact CG2-CZ 3.56Å; F24-F79 HydrophobicContact CB-CE2 4.17Å; F24-F79 AromaticContact CD1-CD2 3.9Å; F24-F79 HydrophobicContact CD1-CD2 3.9Å; F24-F79 AromaticContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CD1-CE2 3.77Å; F24-F79 HydrophobicContact CE1-CD2 4.07Å; F24-F79 HydrophobicContact CE1-CE2 4.34Å; F24-F79 HydrophobicContact CG-CD2 4.49Å; F24-F79 AromaticContact CG-CE2 3.94Å; F24-F79 HydrophobicContact CG-CE2 3.94Å; L53-F79 HydrophobicContact CD2-CE2 4.32Å; L75-F79 HydrophobicContact CD1-CD1 4.38Å; L75-F79 HydrophobicContact CD1-CE1 3.86Å; L75-F79 HydrophobicContact CD2-CE1 4.48Å; L75-F79 HydrophobicContact CD2-CZ 4.44Å; L75-F79 HydrophobicContact CG-CD1 4.35Å; L75-F79 HydrophobicContact CG-CE1 3.88Å; L75-F79 HydrophobicContact CG-CZ 4.25Å; L75-F79 WeakPolarHBondContact O-CD1 3.38Å; L75-F79 PolarHBondContact O-N 2.77Å; L76-F79 HydrophobicContact CD2-CD2 4.01Å; L76-F79 WeakPolarHBondContact O-CB 3.37Å; L76-F79 PolarHBondContact O-N 2.97Å; L76-F79 VanDerWaalsContact O-N 3.08Å; F79-N82 PolarHBondContact O-N 2.94Å; F79-H83 PolarHBondContact O-N 2.83Å; F79-V84 HydrophobicContact CB-CB 3.81Å; F79-V84 HydrophobicContact CB-CG1 4.19Å; F79-V84 HydrophobicContact CB-CG2 4.4Å; F79-V84 HydrophobicContact CD1-CG2 4.42Å; F79-V84 HydrophobicContact CD2-CB 4.29Å; F79-V84 HydrophobicContact CD2-CG1 3.74Å; F79-V84 HydrophobicContact CE2-CG1 4.25Å; F79-V84 HydrophobicContact CG-CB 3.99Å; F79-V84 HydrophobicContact CG-CG1 3.95Å; F79-V84 HydrophobicContact CG-CG2 4.33Å; F79-V84 WeakPolarHBondContact O-CB 3.48Å; F79-V84 PolarHBondContact O-N 2.95Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 4.09Å
80L87.6Confident86.8Confident4 Ų450 Ų502%0.02124%0.239CC..Hα-helixtrans-65.9-39.5175.9-175.360.9000112.1L76 K77 I85 W92 G93 Q94 D96 F97 Y104L76-L80 PolarHBondContact O-N 3.45Å; K77-L80 PolarHBondContact O-N 2.99Å; L80-I85 HydrophobicContact CB-CD1 4.2Å; L80-I85 HydrophobicContact CB-CG1 3.99Å; L80-I85 HydrophobicContact CD1-CG1 4.18Å; L80-I85 WeakPolarHBondContact CD1-O 3.45Å; L80-W92 HydrophobicContact CD1-CB 4.36Å; L80-G93 PolarHBondContact O-N 2.86Å; L80-Q94 WeakPolarHBondContact CD2-O 3.4Å; L80-Q94 WeakPolarHBondContact CG-O 3.32Å; L80-D96 VanDerWaalsContact CD2-OD1 3.29Å; L80-D96 WeakPolarHBondContact CD2-OD1 3.45Å; L80-F97 HydrophobicContact CD2-CB 4.02Å; L80-Y104 HydrophobicContact CD1-CD1 4.41Å; L80-Y104 HydrophobicContact CD1-CE1 4.12Å; L80-Y104 HydrophobicContact CD2-CE1 4.18Å
81K86.3Confident86.4Confident92 Ų9248.6 Ų48.640%0.423%0.233SC..Hα-helixtrans-64.1-43.5175.5-177.8172.5-172.8174.80113.3K77 K78 H83 E95K77-K81 PolarHBondContact O-N 3.32Å; K77-K81 VanDerWaalsContact O-N 3.08Å; K78-K81 PolarHBondContact O-N 3.39Å; K81-H83 VanDerWaalsContact C-N 3.28Å; K81-H83 PolarHBondContact O-N 2.68Å; K81-E95 HydrophobicContact CB-CG 4.08Å; K81-E95 HydrophobicContact CD-CG 3.79Å; K81-E95 WeakPolarHBondContact CD-OE1 3.49Å; K81-E95 HydrophobicContact CG-CG 4.48Å; K81-E95 IonicContact NZ-OE1 3.55Å; K81-E95 PolarHBondContact NZ-OE1 2.88Å
82N84.1Confident86.2Confident78 Ų7850.7 Ų50.742%0.41724%0.237SC..THydrogen-bonded Turntrans-90.117.8-176.1-66.6-37.5000113.4W17 K78 F79 V84 P111W17-N82 HydrophobicContact CZ2-CB 4.25Å; W17-N82 WeakPolarHBondContact CZ2-ND2 3.39Å; K78-N82 WeakPolarHBondContact O-CB 3.44Å; K78-N82 PolarHBondContact O-N 2.68Å; K78-N82 PolarHBondContact O-ND2 2.8Å; F79-N82 PolarHBondContact O-N 2.94Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.35Å; N82-P111 WeakPolarHBondContact O-CB 3.33Å
83H85.4Confident85.3Confident36 Ų3652.3 Ų52.317%0.16725%0.253CS..THydrogen-bonded Turntrans57.633.1177.6-162.9-121.2000114.4F79 K81 E86 W92 P107 P111F79-H83 PolarHBondContact O-N 2.83Å; K81-H83 VanDerWaalsContact C-N 3.28Å; K81-H83 PolarHBondContact O-N 2.68Å; H83-E86 IonicContact NE2-OE2 3.6Å; H83-W92 HydrophobicContact CB-CD2 4.04Å; H83-W92 HydrophobicContact CB-CE3 3.74Å; H83-W92 HydrophobicContact CB-CH2 4.48Å; H83-W92 HydrophobicContact CB-CZ3 3.98Å; H83-W92 AromaticContact CD2-CD1 3.35Å; H83-W92 AromaticContact CD2-CD2 3.32Å; H83-W92 AromaticContact CD2-CE2 3.46Å; H83-W92 VanDerWaalsContact CD2-CE2 3.46Å; H83-W92 AromaticContact CD2-CE3 3.96Å; H83-W92 AromaticContact CD2-CG 3.27Å; H83-W92 AromaticContact CD2-NE1 3.45Å; H83-W92 PolarHBondContact CD2-NE1 3.24Å; H83-W92 AromaticContact CG-CD2 3.88Å; H83-W92 AromaticContact NE2-CD1 3.62Å; H83-W92 AromaticContact NE2-CE2 3.88Å; H83-W92 AromaticContact NE2-NE1 3.52Å; H83-P107 VanDerWaalsContact CE1-CB 3.44Å; H83-P107 WeakPolarHBondContact CE1-CB 3.47Å; H83-P111 WeakPolarHBondContact O-CD 3.29Å; H83-P111 WeakPolarHBondContact O-CG 3.49Å
84V85.3Confident84.5Confident2 Ų257.5 Ų57.51%0.01228%0.276CS..SBendtrans-79-36.7170.5177.70000110.2W17 V21 R25 F79 N82 P107 P111W17-V84 HydrophobicContact CZ2-CG2 4.44Å; V21-V84 HydrophobicContact CG1-CG1 3.78Å; V21-V84 HydrophobicContact CG1-CG2 4.11Å; V21-V84 HydrophobicContact CG2-CG1 4.27Å; V21-V84 HydrophobicContact CG2-CG2 4.04Å; R25-V84 PolarHBondContact NH1-O 3.12Å; F79-V84 HydrophobicContact CB-CB 3.81Å; F79-V84 HydrophobicContact CB-CG1 4.19Å; F79-V84 HydrophobicContact CB-CG2 4.4Å; F79-V84 HydrophobicContact CD1-CG2 4.42Å; F79-V84 HydrophobicContact CD2-CB 4.29Å; F79-V84 HydrophobicContact CD2-CG1 3.74Å; F79-V84 HydrophobicContact CE2-CG1 4.25Å; F79-V84 HydrophobicContact CG-CB 3.99Å; F79-V84 HydrophobicContact CG-CG1 3.95Å; F79-V84 HydrophobicContact CG-CG2 4.33Å; F79-V84 WeakPolarHBondContact O-CB 3.48Å; F79-V84 PolarHBondContact O-N 2.95Å; N82-V84 VanDerWaalsContact C-N 3.26Å; N82-V84 PolarHBondContact O-N 3.35Å; V84-P107 VanDerWaalsContact O-CD 3.32Å; V84-P107 WeakPolarHBondContact O-CD 3.44Å; V84-P111 HydrophobicContact CB-CG 4.24Å; V84-P111 HydrophobicContact CG2-CG 3.62Å
85I87.6Confident84.2Confident0 Ų054.8 Ų54.80%026%0.264CS..SBendtrans-128153.2174.160.8178.5000108.9F24 F44 L76 F79 L80 F97 F106F24-I85 HydrophobicContact CE1-CG2 3.73Å; F44-I85 HydrophobicContact CZ-CB 4.48Å; F44-I85 HydrophobicContact CZ-CG2 3.87Å; L76-I85 HydrophobicContact CD2-CD1 4.24Å; F79-I85 HydrophobicContact CB-CD1 4.2Å; F79-I85 HydrophobicContact CB-CG1 4.09Å; L80-I85 HydrophobicContact CB-CD1 4.2Å; L80-I85 HydrophobicContact CB-CG1 3.99Å; L80-I85 HydrophobicContact CD1-CG1 4.18Å; L80-I85 WeakPolarHBondContact CD1-O 3.45Å; I85-F97 HydrophobicContact CD1-CD2 4.08Å; I85-F97 HydrophobicContact CD1-CE2 4.15Å; I85-F106 HydrophobicContact CG2-CD1 4.1Å; I85-F106 HydrophobicContact CG2-CE1 3.9Å
86E88.1Confident83.8Confident12 Ų1257.4 Ų57.46%0.05628%0.278CS..EExtended strand (participates in β ladder)trans-132.6152.7173.361176.9-16400110.7H83 W92 Y104 R105 P107H83-E86 IonicContact NE2-OE2 3.6Å; E86-W92 HydrophobicContact CB-CB 4.41Å; E86-Y104 WeakPolarHBondContact O-CA 3.48Å; E86-R105 HydrophobicContact CG-CG 3.69Å; E86-R105 PolarHBondContact N-O 3.07Å; E86-R105 PolarHBondContact O-N 3.41Å; E86-R105 IonicContact OE1-CZ 3.38Å; E86-R105 IonicContact OE1-NE 3.39Å; E86-R105 PolarHBondContact OE1-NE 3Å; E86-R105 IonicContact OE1-NH2 2.65Å; E86-R105 PolarHBondContact OE1-NH2 2.95Å; E86-P107 HydrophobicContact CB-CG 4.14Å; E86-P107 HydrophobicContact CG-CB 4.44Å; E86-P107 HydrophobicContact CG-CG 3.85Å
87D86.8Confident83.8Confident20 Ų2057.4 Ų57.411%0.10728%0.278CS..EExtended strand (participates in β ladder)trans-58.2152167.4-175-31.8000109.2K89 G90 K91 H102D87-K89 PolarHBondContact O-N 3.18Å; D87-K89 PolarHBondContact OD1-N 3.5Å; D87-G90 WeakPolarHBondContact O-CA 3.49Å; D87-G90 PolarHBondContact O-N 3.41Å; D87-K91 HydrophobicContact CB-CB 4.02Å; D87-K91 WeakPolarHBondContact CB-O 3.42Å; D87-K91 PolarHBondContact N-O 3.36Å; D87-H102 VanDerWaalsContact CG-CE1 3.49Å; D87-H102 IonicContact OD1-CE1 2.62Å; D87-H102 PolarHBondContact OD1-CE1 3.1Å; D87-H102 IonicContact OD2-CE1 3.45Å; D87-H102 PolarHBondContact OD2-CE1 3.33Å; D87-H102 VanDerWaalsContact OD2-CE1 3.3Å; D87-H102 IonicContact OD2-NE2 2.79Å
88I81.8Confident83.6Confident26 Ų2660.2 Ų60.213%0.13329%0.292CS..THydrogen-bonded Turntrans-54.2-22.1172.2-134.9142000113.6Y40 C43 G90 L103Y40-I88 HydrophobicContact CD1-CD1 3.66Å; Y40-I88 HydrophobicContact CD1-CG1 3.66Å; Y40-I88 HydrophobicContact CD2-CD1 4.01Å; Y40-I88 HydrophobicContact CE1-CD1 4.32Å; Y40-I88 HydrophobicContact CE1-CG1 4.04Å; Y40-I88 HydrophobicContact CE1-CG2 4.19Å; Y40-I88 HydrophobicContact CG-CD1 3.47Å; Y40-I88 VanDerWaalsContact CG-CD1 3.47Å; Y40-I88 HydrophobicContact CG-CG1 4.04Å; C43-I88 HydrophobicContact CB-CD1 3.82Å; I88-G90 VanDerWaalsContact C-N 3.35Å; I88-L103 HydrophobicContact CB-CB 4.43Å; I88-L103 HydrophobicContact CD1-CB 3.47Å; I88-L103 VanDerWaalsContact CD1-CB 3.47Å; I88-L103 HydrophobicContact CD1-CD1 3.79Å; I88-L103 HydrophobicContact CD1-CG 4.26Å; I88-L103 PolarHBondContact N-O 3.19Å
89K78.1Confident83.6Confident151 Ų15159.5 Ų59.566%0.65729%0.292SS*.THydrogen-bonded Turntrans-86.94.1172.9-64.1179.7-178.6174.20114.3D87D87-K89 PolarHBondContact O-N 3.18Å; D87-K89 PolarHBondContact OD1-N 3.5Å
90G77.1Confident83.5Confident29 Ų2962 Ų6230%0.29931%0.306SS..SBendtrans75.819.7-178.700000114.5D87 I88D87-G90 WeakPolarHBondContact O-CA 3.49Å; D87-G90 PolarHBondContact O-N 3.41Å; I88-G90 VanDerWaalsContact C-N 3.35Å
91K79.8Confident83.4Confident143 Ų14372.6 Ų72.662%0.62235%0.345SS*.  trans-87.6135.1176.1-64.3-174.7177.2-171.70110.6D87D87-K91 HydrophobicContact CB-CB 4.02Å; D87-K91 WeakPolarHBondContact CB-O 3.42Å; D87-K91 PolarHBondContact N-O 3.36Å
92W81.8Confident83.5Confident140 Ų14071.8 Ų71.853%0.5334%0.343SS..  trans-154.9172.5178.361.5-91.9000110.4L80 H83 E86L80-W92 HydrophobicContact CD1-CB 4.36Å; H83-W92 HydrophobicContact CB-CD2 4.04Å; H83-W92 HydrophobicContact CB-CE3 3.74Å; H83-W92 HydrophobicContact CB-CH2 4.48Å; H83-W92 HydrophobicContact CB-CZ3 3.98Å; H83-W92 AromaticContact CD2-CD1 3.35Å; H83-W92 AromaticContact CD2-CD2 3.32Å; H83-W92 AromaticContact CD2-CE2 3.46Å; H83-W92 VanDerWaalsContact CD2-CE2 3.46Å; H83-W92 AromaticContact CD2-CE3 3.96Å; H83-W92 AromaticContact CD2-CG 3.27Å; H83-W92 AromaticContact CD2-NE1 3.45Å; H83-W92 PolarHBondContact CD2-NE1 3.24Å; H83-W92 AromaticContact CG-CD2 3.88Å; H83-W92 AromaticContact NE2-CD1 3.62Å; H83-W92 AromaticContact NE2-CE2 3.88Å; H83-W92 AromaticContact NE2-NE1 3.52Å; E86-W92 HydrophobicContact CB-CB 4.41Å
93G71.6Confident83.7Confident34 Ų3468.7 Ų68.735%0.35133%0.326SS..SBendtrans96.5-12.6176.300000115.4L80L80-G93 PolarHBondContact O-N 2.86Å
94Q75.9Confident83.8Confident132 Ų13267.4 Ų67.462%0.61732%0.32SS*.SBendtrans-97.5152.9172-61.7-169.13.200111L80 D96L80-Q94 WeakPolarHBondContact CD2-O 3.4Å; L80-Q94 WeakPolarHBondContact CG-O 3.32Å; Q94-D96 VanDerWaalsContact C-N 3.28Å; Q94-D96 HydrophobicContact CB-CB 4.45Å; Q94-D96 WeakPolarHBondContact CB-OD1 3.31Å; Q94-D96 PolarHBondContact O-N 2.92Å
95E82.8Confident83.9Confident70 Ų7072.1 Ų72.133%0.32734%0.337SS..  trans-96.135.7177.3-64.9-172.4-159.500111.4K77 K78 K81 F97K77-E95 HydrophobicContact CB-CB 4.17Å; K77-E95 VanDerWaalsContact CD-O 3.32Å; K77-E95 WeakPolarHBondContact CD-O 2.96Å; K77-E95 WeakPolarHBondContact CE-O 3.45Å; K78-E95 IonicContact NZ-OE1 2.67Å; K78-E95 PolarHBondContact NZ-OE1 2.94Å; K78-E95 IonicContact NZ-OE2 2.99Å; K78-E95 PolarHBondContact NZ-OE2 3.34Å; K81-E95 HydrophobicContact CB-CG 4.08Å; K81-E95 HydrophobicContact CD-CG 3.79Å; K81-E95 WeakPolarHBondContact CD-OE1 3.49Å; K81-E95 HydrophobicContact CG-CG 4.48Å; K81-E95 IonicContact NZ-OE1 3.55Å; K81-E95 PolarHBondContact NZ-OE1 2.88Å; E95-F97 VanDerWaalsContact C-N 3.32Å
96D82.2Confident83.9Confident91 Ų9173.6 Ų73.649%0.48734%0.344SS..  trans-90.112.7-175.763.9-29.8000113.7L80 Q94 E98L80-D96 VanDerWaalsContact CD2-OD1 3.29Å; L80-D96 WeakPolarHBondContact CD2-OD1 3.45Å; Q94-D96 VanDerWaalsContact C-N 3.28Å; Q94-D96 HydrophobicContact CB-CB 4.45Å; Q94-D96 WeakPolarHBondContact CB-OD1 3.31Å; Q94-D96 PolarHBondContact O-N 2.92Å; D96-E98 PolarHBondContact O-N 3.37Å
97F88.9Confident83.6Confident0 Ų073.2 Ų73.20%034%0.343CS..  trans-65.4129.5177.1-178.5-86.2000112A46 V50 V73 L76 K77 L80 I85 E95 Y104A46-F97 HydrophobicContact CB-CE1 4.39Å; A46-F97 HydrophobicContact CB-CE2 3.64Å; A46-F97 HydrophobicContact CB-CZ 3.51Å; V50-F97 HydrophobicContact CG2-CE1 3.81Å; V50-F97 HydrophobicContact CG2-CZ 4.06Å; V73-F97 HydrophobicContact CG1-CD1 4.01Å; V73-F97 HydrophobicContact CG1-CE1 4.32Å; L76-F97 HydrophobicContact CB-CD1 3.6Å; L76-F97 HydrophobicContact CB-CD2 4.42Å; L76-F97 HydrophobicContact CB-CE1 3.48Å; L76-F97 VanDerWaalsContact CB-CE1 3.48Å; L76-F97 HydrophobicContact CB-CE2 4.3Å; L76-F97 HydrophobicContact CB-CG 4.1Å; L76-F97 HydrophobicContact CB-CZ 3.86Å; L76-F97 HydrophobicContact CD1-CE1 3.65Å; L76-F97 HydrophobicContact CD1-CZ 3.68Å; L76-F97 HydrophobicContact CG-CE1 4.16Å; L76-F97 HydrophobicContact CG-CZ 4.25Å; K77-F97 HydrophobicContact CB-CB 4.45Å; K77-F97 WeakPolarHBondContact CE-O 3.35Å; K77-F97 HydrophobicContact CG-CB 3.74Å; L80-F97 HydrophobicContact CD2-CB 4.02Å; I85-F97 HydrophobicContact CD1-CD2 4.08Å; I85-F97 HydrophobicContact CD1-CE2 4.15Å; E95-F97 VanDerWaalsContact C-N 3.32Å; F97-Y104 HydrophobicContact CD2-CD2 4.46Å; F97-Y104 HydrophobicContact CD2-CE1 4.03Å; F97-Y104 AromaticContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CE2 3.87Å; F97-Y104 AromaticContact CD2-CZ 3.62Å; F97-Y104 HydrophobicContact CE2-CD2 4.02Å; F97-Y104 HydrophobicContact CE2-CE1 4.5Å; F97-Y104 AromaticContact CE2-CE2 3.73Å; F97-Y104 HydrophobicContact CE2-CE2 3.73Å; F97-Y104 AromaticContact CE2-CZ 3.98Å
98E86.8Confident82.7Confident121 Ų12178.4 Ų78.457%0.56538%0.377SS*.  trans-132151.6178.5-67.9-177.1171.900111.2A46 D96 N100A46-E98 WeakPolarHBondContact CB-O 3.19Å; D96-E98 PolarHBondContact O-N 3.37Å; E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.98Å; E98-N100 PolarHBondContact O-OD1 3.49Å
99D88.4Confident81.7Confident68 Ų6880.8 Ų80.836%0.36440%0.396SS..SBendtrans-74.482.5177.2-170.52.4000110.5A47 V50 R69 V73A47-D99 VanDerWaalsContact CA-OD1 3.29Å; A47-D99 WeakPolarHBondContact CA-OD1 3.23Å; V50-D99 HydrophobicContact CG2-CB 4.34Å; R69-D99 IonicContact CZ-OD2 3.14Å; R69-D99 IonicContact NE-OD2 2.8Å; R69-D99 PolarHBondContact NE-OD2 3.35Å; R69-D99 IonicContact NH2-OD1 2.69Å; R69-D99 PolarHBondContact NH2-OD1 3.5Å; R69-D99 IonicContact NH2-OD2 2.68Å; R69-D99 PolarHBondContact NH2-OD2 3.14Å; R69-D99 VanDerWaalsContact NH2-OD2 3.13Å; V73-D99 HydrophobicContact CG2-CB 4.08Å
100N87.6Confident80.7Confident54 Ų5476.2 Ų76.229%0.28938%0.383SS..SBendtrans-140-171.5-175.365.522.9000111.3A46 A47 E98 H102A46-N100 WeakPolarHBondContact CB-O 3.43Å; A47-N100 PolarHBondContact N-O 2.92Å; E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.98Å; E98-N100 PolarHBondContact O-OD1 3.49Å; N100-H102 VanDerWaalsContact C-N 3.29Å; N100-H102 PolarHBondContact O-N 3.43Å; N100-H102 WeakPolarHBondContact OD1-CA 3.29Å; N100-H102 WeakPolarHBondContact OD1-CB 3.38Å; N100-H102 PolarHBondContact OD1-N 3.14Å
101R85.7Confident79.7Confident226 Ų22677.3 Ų77.385%0.85339%0.385SS*.SBendtrans-90.616.6177.4-62.1-173.7-179.1-172.80.9113.5
102H87.1Confident78.3Confident74 Ų7471.7 Ų71.734%0.34336%0.362SS..  trans-67.1140.5175.1-158.6-46.5000109.5T45 A46 D87 N100 Y104T45-H102 CarbonylContact C-O 3.24Å; T45-H102 WeakPolarHBondContact CA-O 3.19Å; A46-H102 PolarHBondContact N-O 3.48Å; D87-H102 VanDerWaalsContact CG-CE1 3.49Å; D87-H102 IonicContact OD1-CE1 2.62Å; D87-H102 PolarHBondContact OD1-CE1 3.1Å; D87-H102 IonicContact OD2-CE1 3.45Å; D87-H102 PolarHBondContact OD2-CE1 3.33Å; D87-H102 VanDerWaalsContact OD2-CE1 3.3Å; D87-H102 IonicContact OD2-NE2 2.79Å; N100-H102 VanDerWaalsContact C-N 3.29Å; N100-H102 PolarHBondContact O-N 3.43Å; N100-H102 WeakPolarHBondContact OD1-CA 3.29Å; N100-H102 WeakPolarHBondContact OD1-CB 3.38Å; N100-H102 PolarHBondContact OD1-N 3.14Å; H102-Y104 HydrophobicContact CB-CE2 3.89Å
103L88.2Confident76.5Confident13 Ų1374.1 Ų74.17%0.06838%0.376CS..EExtended strand (participates in β ladder)trans-89.7136.6-179.1-60174.7000111H33 C35 Y40 F44 T45 I88H33-L103 HydrophobicContact CB-CD1 4.08Å; H33-L103 HydrophobicContact CB-CD2 3.57Å; C35-L103 HydrophobicContact CB-CD1 3.65Å; Y40-L103 HydrophobicContact CD2-CD1 3.87Å; Y40-L103 HydrophobicContact CE2-CD1 4.45Å; F44-L103 WeakPolarHBondContact O-CA 3.43Å; T45-L103 HydrophobicContact CG2-CD2 3.74Å; I88-L103 HydrophobicContact CB-CB 4.43Å; I88-L103 HydrophobicContact CD1-CB 3.47Å; I88-L103 VanDerWaalsContact CD1-CB 3.47Å; I88-L103 HydrophobicContact CD1-CD1 3.79Å; I88-L103 HydrophobicContact CD1-CG 4.26Å; I88-L103 PolarHBondContact N-O 3.19Å
104Y88.4Confident75Confident9 Ų978 Ų784%0.03540%0.395CS..EExtended strand (participates in β ladder)trans-127.9158.8175.3-67.1-90.5000109.5C43 F44 A46 L80 E86 F97 H102C43-Y104 WeakPolarHBondContact CA-O 3.43Å; C43-Y104 WeakPolarHBondContact CB-O 3.15Å; F44-Y104 PolarHBondContact N-O 3.42Å; F44-Y104 PolarHBondContact O-N 2.9Å; A46-Y104 HydrophobicContact CB-CD2 4.04Å; A46-Y104 HydrophobicContact CB-CE2 3.71Å; L80-Y104 HydrophobicContact CD1-CD1 4.41Å; L80-Y104 HydrophobicContact CD1-CE1 4.12Å; L80-Y104 HydrophobicContact CD2-CE1 4.18Å; E86-Y104 WeakPolarHBondContact O-CA 3.48Å; F97-Y104 HydrophobicContact CD2-CD2 4.46Å; F97-Y104 HydrophobicContact CD2-CE1 4.03Å; F97-Y104 AromaticContact CD2-CE2 3.87Å; F97-Y104 HydrophobicContact CD2-CE2 3.87Å; F97-Y104 AromaticContact CD2-CZ 3.62Å; F97-Y104 HydrophobicContact CE2-CD2 4.02Å; F97-Y104 HydrophobicContact CE2-CE1 4.5Å; F97-Y104 AromaticContact CE2-CE2 3.73Å; F97-Y104 HydrophobicContact CE2-CE2 3.73Å; F97-Y104 AromaticContact CE2-CZ 3.98Å; H102-Y104 HydrophobicContact CB-CE2 3.89Å
105R88Confident73.1Confident101 Ų10181.1 Ų81.138%0.38140%0.403SS..EExtended strand (participates in β ladder)trans-137.8162.1174.868.1-178-170.7176.37.5110.3E86E86-R105 HydrophobicContact CG-CG 3.69Å; E86-R105 PolarHBondContact N-O 3.07Å; E86-R105 PolarHBondContact O-N 3.41Å; E86-R105 IonicContact OE1-CZ 3.38Å; E86-R105 IonicContact OE1-NE 3.39Å; E86-R105 PolarHBondContact OE1-NE 3Å; E86-R105 IonicContact OE1-NH2 2.65Å; E86-R105 PolarHBondContact OE1-NH2 2.95Å
106F87.4Confident70.7Confident31 Ų3183.5 Ų83.514%0.13642%0.424CS..  trans-79.9135.1169.8-67.5-64.3000109.7F24 R25 M28 L30 F44 I85F24-F106 AromaticContact CD1-CE1 3.6Å; F24-F106 HydrophobicContact CD1-CE1 3.6Å; F24-F106 AromaticContact CD1-CZ 3.82Å; F24-F106 HydrophobicContact CD1-CZ 3.82Å; F24-F106 AromaticContact CE1-CE1 3.46Å; F24-F106 HydrophobicContact CE1-CE1 3.46Å; F24-F106 VanDerWaalsContact CE1-CE1 3.46Å; F24-F106 AromaticContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CE1-CZ 3.63Å; F24-F106 HydrophobicContact CZ-CE1 4.49Å; F24-F106 HydrophobicContact CZ-CZ 4.31Å; R25-F106 HydrophobicContact CG-CD1 3.74Å; R25-F106 HydrophobicContact CG-CE1 3.8Å; R25-F106 HydrophobicContact CG-CG 4.31Å; R25-F106 HydrophobicContact CG-CZ 4.44Å; M28-F106 HydrophobicContact CB-CE2 4.01Å; M28-F106 HydrophobicContact CB-CZ 3.86Å; M28-F106 HydrophobicContact CG-CE2 4.16Å; M28-F106 HydrophobicContact CG-CZ 4.02Å; L30-F106 HydrophobicContact CD1-CD2 4.26Å; L30-F106 HydrophobicContact CD2-CD2 3.81Å; L30-F106 HydrophobicContact CD2-CE2 3.72Å; L30-F106 HydrophobicContact CG-CE2 4.47Å; F44-F106 HydrophobicContact CD1-CE2 4.26Å; F44-F106 HydrophobicContact CE1-CD1 4.43Å; F44-F106 AromaticContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CD2 3.92Å; F44-F106 HydrophobicContact CE1-CE1 4.18Å; F44-F106 AromaticContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CE2 3.63Å; F44-F106 HydrophobicContact CE1-CG 4.3Å; F44-F106 AromaticContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CE1-CZ 3.77Å; F44-F106 HydrophobicContact CZ-CE1 4.28Å; F44-F106 HydrophobicContact CZ-CE2 4.46Å; F44-F106 HydrophobicContact CZ-CZ 4.16Å; I85-F106 HydrophobicContact CG2-CD1 4.1Å; I85-F106 HydrophobicContact CG2-CE1 3.9Å
107P81.9Confident68.3Low5 Ų587 Ų873%0.03244%0.435CS..  trans-59.8152.2171.1-21.330.6000111.4R25 H83 V84 E86 S109R25-P107 PolarHBondContact NH2-O 3.3Å; H83-P107 VanDerWaalsContact CE1-CB 3.44Å; H83-P107 WeakPolarHBondContact CE1-CB 3.47Å; V84-P107 VanDerWaalsContact O-CD 3.32Å; V84-P107 WeakPolarHBondContact O-CD 3.44Å; E86-P107 HydrophobicContact CB-CG 4.14Å; E86-P107 HydrophobicContact CG-CB 4.44Å; E86-P107 HydrophobicContact CG-CG 3.85Å; P107-S109 PolarHBondContact O-N 3.38Å
108P68.1Low65.5Low128 Ų12895.9 Ų95.983%0.83147%0.473SS*.SBendtrans-63.6-26.1177.323.5-31.7000112.6
109S60Low62.8Low77 Ų7795 Ų9554%0.53848%0.478SS..SBendtrans-108.5131.4176.129.70000111.5R25 P107R25-S109 PolarHBondContact NH2-O 3.16Å; P107-S109 PolarHBondContact O-N 3.38Å
110S56.6Low60.2Low54 Ų5497.7 Ų97.738%0.37850%0.5SS..  trans-76.8133.9177.1-173.60000111L112S110-L112 PolarHBondContact O-N 2.82Å; S110-L112 PolarHBondContact OG-N 3.33Å
111P56.3Low57.9Low53 Ų53103.8 Ų103.834%0.34452%0.52SS..SBendtrans-74.1-15.5174.234.5-36.5000111.7N82 H83 V84 K113N82-P111 WeakPolarHBondContact O-CB 3.33Å; H83-P111 WeakPolarHBondContact O-CD 3.29Å; H83-P111 WeakPolarHBondContact O-CG 3.49Å; V84-P111 HydrophobicContact CB-CG 4.24Å; V84-P111 HydrophobicContact CG2-CG 3.62Å; P111-K113 PolarHBondContact O-N 3.19Å; P111-K113 VanDerWaalsContact O-N 3.13Å
112L50.2Low55.6Low25 Ų25101 Ų10113%0.13152%0.516CS..SBendtrans-70.3107.3160.7-60.2-179.8000105.8N18 V21 E22 S110 P114N18-L112 HydrophobicContact CB-CD2 4.22Å; N18-L112 WeakPolarHBondContact OD1-CD2 3.22Å; V21-L112 HydrophobicContact CB-CD1 3.98Å; V21-L112 HydrophobicContact CB-CG 4.38Å; V21-L112 HydrophobicContact CG1-CD1 3.59Å; V21-L112 HydrophobicContact CG1-CD2 4.29Å; V21-L112 HydrophobicContact CG1-CG 3.75Å; E22-L112 HydrophobicContact CB-CD1 4.48Å; E22-L112 HydrophobicContact CG-CD1 3.43Å; E22-L112 VanDerWaalsContact CG-CD1 3.43Å; S110-L112 PolarHBondContact O-N 2.82Å; S110-L112 PolarHBondContact OG-N 3.33Å; L112-P114 VanDerWaalsContact O-CD 3.26Å; L112-P114 WeakPolarHBondContact O-CD 3.28Å
113K45.6Very low53.1Low190 Ų190104.1 Ų104.183%0.82653%0.529SS*.  trans-44.1116.6160.3-84.7-176.5176.7-179.80105.5P111 Y115P111-K113 PolarHBondContact O-N 3.19Å; P111-K113 VanDerWaalsContact O-N 3.13Å; K113-Y115 PolarHBondContact O-N 3.12Å
114P38.4Very low50.6Low115 Ų115109.9 Ų109.975%0.74756%0.56SS**  trans-55.6116.1175.914.1-20.5000105.9L112L112-P114 VanDerWaalsContact O-CD 3.26Å; L112-P114 WeakPolarHBondContact O-CD 3.28Å
115Y36.8Very low48.1Very low199 Ų199113.9 Ų113.978%0.7859%0.585SS**  trans-51.4133.1152.7-103.5-93.5000104.7K113 K117K113-Y115 PolarHBondContact O-N 3.12Å; Y115-K117 PolarHBondContact O-N 3.34Å
116P32.8Very low45.7Very low119 Ų119115.2 Ų115.277%0.77360%0.599SS**  trans-6090.8-176.823-31.7000108.5K118P116-K118 VanDerWaalsContact C-N 3.29Å; P116-K118 PolarHBondContact O-N 3.48Å
117K31.3Very low43Very low164 Ų164122.8 Ų122.871%0.71363%0.631SS**  trans-68.5101.6163.4-72.9-175.7-179.6177.40102.4Y115 P119Y115-K117 PolarHBondContact O-N 3.34Å; K117-P119 WeakPolarHBondContact O-CD 3.5Å; K117-P119 VanDerWaalsContact O-N 3.1Å
118K30.6Very low40.8Very low187 Ų187130 Ų13081%0.81366%0.662SS**PPolyproline II helixtrans-47.1122160.4-79.8178.5177.3174.40104.9P116P116-K118 VanDerWaalsContact C-N 3.29Å; P116-K118 PolarHBondContact O-N 3.48Å
119P29.3Very low39.2Very low103 Ų103128.6 Ų128.667%0.66965%0.653SS**PPolyproline II helixtrans-52.2147.2168.722.9-30.9000107.4K117 Y121K117-P119 WeakPolarHBondContact O-CD 3.5Å; K117-P119 VanDerWaalsContact O-N 3.1Å; P119-Y121 PolarHBondContact O-N 2.85Å
120P35.2Very low38Very low125 Ų125134 Ų13481%0.81267%0.67SS**PPolyproline II helixtrans-50118.2161.623.3-29.9000105.4Q122P120-Q122 PolarHBondContact O-N 3.36Å
121Y38.2Very low37.5Very low181 Ų181139.8 Ų139.871%0.7168%0.684SS**  trans-64.885.6-174.2177.5-113.6000108.1P119 K123P119-Y121 PolarHBondContact O-N 2.85Å; Y121-K123 HydrophobicContact CD1-CG 4.01Å; Y121-K123 HydrophobicContact CE1-CB 4.48Å; Y121-K123 HydrophobicContact CE1-CD 3.6Å; Y121-K123 VanDerWaalsContact CE1-CE 3.45Å; Y121-K123 HydrophobicContact CE1-CG 3.27Å; Y121-K123 HydrophobicContact CE2-CG 4.03Å; Y121-K123 PolarHBondContact O-N 3.25Å; Y121-K123 WeakPolarHBondContact OH-CE 3.29Å; Y121-K123 VanDerWaalsContact OH-CG 3.27Å; Y121-K123 WeakPolarHBondContact OH-CG 3.29Å
122Q36.5Very low36.8Very low167 Ų167144.4 Ų144.478%0.7871%0.705SS**  trans-78105.4158.6-121.3171.9-10.800104.9P120 D124P120-Q122 PolarHBondContact O-N 3.36Å; Q122-D124 PolarHBondContact O-N 3.41Å
123K35.5Very low36.2Very low140 Ų140150.3 Ų150.361%0.60974%0.737SS**  trans-6472.3162.8-89.9177.1166.2178.50108.5Y121 V125Y121-K123 HydrophobicContact CD1-CG 4.01Å; Y121-K123 HydrophobicContact CE1-CB 4.48Å; Y121-K123 HydrophobicContact CE1-CD 3.6Å; Y121-K123 VanDerWaalsContact CE1-CE 3.45Å; Y121-K123 HydrophobicContact CE1-CG 3.27Å; Y121-K123 HydrophobicContact CE2-CG 4.03Å; Y121-K123 PolarHBondContact O-N 3.25Å; Y121-K123 WeakPolarHBondContact OH-CE 3.29Å; Y121-K123 VanDerWaalsContact OH-CG 3.27Å; Y121-K123 WeakPolarHBondContact OH-CG 3.29Å; K123-V125 HydrophobicContact CB-CG2 4.12Å; K123-V125 HydrophobicContact CG-CG2 4.08Å; K123-V125 PolarHBondContact O-N 3.18Å
124D36.5Very low35.9Very low134 Ų134147.1 Ų147.172%0.71774%0.736SS**  trans-85.671.8148.1-72-34.1000106.2Q122 I126Q122-D124 PolarHBondContact O-N 3.41Å; D124-I126 PolarHBondContact O-N 3.36Å
125V36Very low35.8Very low93 Ų93147.8 Ų147.856%0.56474%0.738SS**  trans-58.7109.8160.7176.20000104.4K123 K127K123-V125 HydrophobicContact CB-CG2 4.12Å; K123-V125 HydrophobicContact CG-CG2 4.08Å; K123-V125 PolarHBondContact O-N 3.18Å; V125-K127 HydrophobicContact CG1-CG 4.32Å; V125-K127 PolarHBondContact O-N 2.91Å
126I37Very low35.9Very low130 Ų130144.7 Ų144.767%0.66774%0.743SS**  trans-53.5101.3153.3-62171.1000104.4D124 F128D124-I126 PolarHBondContact O-N 3.36Å; I126-F128 HydrophobicContact CB-CD2 4.44Å; I126-F128 HydrophobicContact CB-CE2 4.2Å; I126-F128 HydrophobicContact CG2-CD2 3.94Å; I126-F128 HydrophobicContact CG2-CE2 3.66Å; I126-F128 HydrophobicContact CG2-CZ 4.18Å; I126-F128 PolarHBondContact O-N 3.09Å
127K30.6Very low36.1Very low189 Ų189142.1 Ų142.182%0.82274%0.737SS**  trans-68.989175.1-74.9-171.3178.2-174.90106.9V125V125-K127 HydrophobicContact CG1-CG 4.32Å; V125-K127 PolarHBondContact O-N 2.91Å
128F34.7Very low36.1Very low157 Ų157140.7 Ų140.769%0.68974%0.743SS**  trans-61138.8155.2-74.8-84.6000107.5I126 E130I126-F128 HydrophobicContact CB-CD2 4.44Å; I126-F128 HydrophobicContact CB-CE2 4.2Å; I126-F128 HydrophobicContact CG2-CD2 3.94Å; I126-F128 HydrophobicContact CG2-CE2 3.66Å; I126-F128 HydrophobicContact CG2-CZ 4.18Å; I126-F128 PolarHBondContact O-N 3.09Å; F128-E130 PolarHBondContact O-N 3.1Å
129P35.3Very low36.4Very low99 Ų99136.9 Ų136.964%0.64374%0.74SS**  trans-53.5117.1-179.8-22.431000109.9W131P129-W131 PolarHBondContact O-N 2.7Å; P129-W131 VanDerWaalsContact O-N 3.07Å
130E35.2Very low36.7Very low191 Ų191140.7 Ų140.789%0.89375%0.748SS**  trans-64.4107171.7-87.1175.1144.600107.9F128 N132F128-E130 PolarHBondContact O-N 3.1Å; E130-N132 PolarHBondContact O-N 3.31Å
131W46.5Very low36.5Very low175 Ų175143.6 Ų143.666%0.66375%0.751SS**  trans-82.820.3178.1-8093.1000113.6P129P129-W131 PolarHBondContact O-N 2.7Å; P129-W131 VanDerWaalsContact O-N 3.07Å
132N41.3Very low36.2Very low149 Ų149142.2 Ų142.280%0.79776%0.756SS**  trans-123.168.5-177.5-70.8-15000110.5E130E130-N132 PolarHBondContact O-N 3.31Å
133D37.9Very low36.1Very low150 Ų150141.7 Ų141.780%0.80276%0.757SS**  trans-142.8129.7144.2-91.3-33.8000107.8
134P38.2Very low35.9Very low123 Ų123140.6 Ų140.680%0.79976%0.764SS**PPolyproline II helixtrans-75.5126.516824.6-20.1000109.4
135T37.3Very low35.8Very low129 Ų129140.8 Ų140.879%0.79177%0.77SS**PPolyproline II helixtrans-61.3138.4160.132.30000109.6G137T135-G137 PolarHBondContact O-N 2.88Å
136P38.6Very low35.5Very low134 Ų134147.3 Ų147.387%0.8778%0.784SS**SBendtrans-75.4121.1-179.729.6-31.5000109.7
137G37.1Very low35.2Very low64 Ų64146.8 Ų146.866%0.6679%0.789SS**  trans128.49816800000112.5T135T135-G137 PolarHBondContact O-N 2.88Å
138T30.9Very low35.4Very low135 Ų135143.9 Ų143.983%0.82879%0.787SS**  -176.7124.5112.3-54.30000106.3Q140T138-Q140 PolarHBondContact O-N 2.96Å
139S37.7Very low35.6Very low107 Ų107142.3 Ų142.375%0.74879%0.79SS**  trans-45.6120-18044.40000113.5
140Q34.4Very low35.4Very low182 Ų182146 Ų14685%0.8580%0.801SS**  trans-80.4112.8159.5-77.2-170.3-3600108.5T138 N142T138-Q140 PolarHBondContact O-N 2.96Å; Q140-N142 PolarHBondContact O-N 3.21Å
141E31.3Very low35.5Very low186 Ų186143.8 Ų143.887%0.86980%0.795SS**PPolyproline II helixtrans-62.5121.5166-73.4-178.8150.700109.5
142N32.7Very low35.2Very low153 Ų153140.8 Ų140.882%0.81880%0.801SS**PPolyproline II helixtrans-74.2122172.5-68.3-60.1000109.5Q140 P144Q140-N142 PolarHBondContact O-N 3.21Å; N142-P144 WeakPolarHBondContact O-CD 3.31Å
143I32.7Very low35.1Very low156 Ų156142.4 Ų142.480%0.880%0.804SS**PPolyproline II helixtrans-77.8120162.3-58.4170.3000107.2V145I143-V145 PolarHBondContact O-N 3.29Å
144P32.9Very low35.2Very low117 Ų117143.9 Ų143.976%0.7681%0.808SS**PPolyproline II helixtrans-84.2117.3-177.731.5-29.5000110.2N142N142-P144 WeakPolarHBondContact O-CD 3.31Å
145V33.8Very low35.2Very low138 Ų138146.9 Ų146.984%0.83680%0.803SS**  trans-98.3115.3163.5-174.80000107.6I143I143-V145 PolarHBondContact O-N 3.29Å
146R30.3Very low35.3Very low230 Ų230149.3 Ų149.387%0.86880%0.799SS**  trans-63.4138-179.9-72.1178.9174.8178.1-1.9111V148R146-V148 PolarHBondContact O-N 3.27Å
147P31.1Very low35.4Very low118 Ų118152 Ų15277%0.76680%0.797SS**  trans-78.6122.7169.223.9-16.1000109.6V149P147-V149 PolarHBondContact O-N 3.11Å
148V32.8Very low35.3Very low128 Ų128159.6 Ų159.678%0.77681%0.806SS**  trans-74.4113.4167.5172.60000107.6R146 M150R146-V148 PolarHBondContact O-N 3.27Å; V148-M150 PolarHBondContact O-N 3.06Å
149V40.6Very low35.9Very low125 Ų125163 Ų16376%0.75881%0.812SS**  trans-70.4121.4168.11800000107.6P147P147-V149 PolarHBondContact O-N 3.11Å
150M31.1Very low36Very low175 Ų175161.9 Ų161.986%0.86280%0.804SS**  trans-115.3120.2174.4-154.289.6144.700109V148V148-M150 PolarHBondContact O-N 3.06Å
151N36.3Very low36.3Very low146 Ų146160.7 Ų160.778%0.78180%0.802SS**  trans-65.3153.8-173.3-81.1-18000114.8E153N151-E153 PolarHBondContact O-N 3.11Å; N151-E153 VanDerWaalsContact O-N 3.11Å
152S39.8Very low36.7Very low112 Ų112156.5 Ų156.578%0.78380%0.799SS**SBendtrans-71.817.1-167.5-178.80000118.2
153E39.4Very low37Very low182 Ų182156 Ų15685%0.8580%0.795SS**SBendtrans-112.511.3-163.8-77-174.8168.500117.9N151N151-E153 PolarHBondContact O-N 3.11Å; N151-E153 VanDerWaalsContact O-N 3.11Å
154M39.6Very low37.4Very low181 Ų181151.3 Ų151.389%0.89279%0.785SS**  trans-13240.7177.4-69.7-144.2-66.300115.4
155W38.8Very low38Very low186 Ų186154.6 Ų154.671%0.70579%0.79SS**THydrogen-bonded Turntrans-83.4-9.6-177.992.1-92.9000115.8
156Y38.9Very low38.5Very low180 Ų180153.4 Ų153.471%0.70678%0.783SS**THydrogen-bonded Turntrans-986.1-170.4-66.8-72.9000116.8
157K41.3Very low39.4Very low190 Ų190145.8 Ų145.883%0.82676%0.764SS**SBendtrans-138.183.1178-75.2-177.1-179.7175.40111.6
158R35.9Very low40.3Very low225 Ų225143.9 Ų143.985%0.84976%0.758SS**  trans-170.1107.7142.6-103.2157.4-170.9143.52.8109.7S160R158-S160 PolarHBondContact O-N 3.27Å
159H42.3Very low41Very low207 Ų207141.2 Ų141.296%0.95874%0.744SS**  trans-65.191.1154.7-73.980.1000107
160S39.2Very low41.5Very low82 Ų82144.6 Ų144.657%0.57374%0.743SS**  trans-156111166.1460000105.3R158 A162R158-S160 PolarHBondContact O-N 3.27Å; S160-A162 PolarHBondContact O-N 3.39Å
161I41.7Very low42.5Very low157 Ų157141.5 Ų141.581%0.80573%0.729SS**  trans-21.7129.2173.7-63.2155000110.9I163I161-I163 PolarHBondContact O-N 3.05Å
162A39.2Very low43.3Very low98 Ų98138 Ų13881%0.8171%0.713SS**  trans-54.989.7168.700000109.3S160 G164S160-A162 PolarHBondContact O-N 3.39Å; A162-G164 PolarHBondContact O-N 2.92Å
163I38.9Very low43.7Very low143 Ų143139.5 Ų139.573%0.73371%0.707SS**  trans-73.292.2154.8-59.8174.9000102.4I161 V166I161-I163 PolarHBondContact O-N 3.05Å; I163-V166 HydrophobicContact CG2-CG2 4.24Å
164G40.8Very low44.6Very low57 Ų57136.3 Ų136.359%0.58869%0.687SS**  trans-47.3144.2164.800000108.7A162 V166A162-G164 PolarHBondContact O-N 2.92Å; G164-V166 PolarHBondContact O-N 2.71Å; G164-V166 VanDerWaalsContact O-N 3.11Å
165E46.1Very low45.4Very low186 Ų186136.1 Ų136.187%0.86968%0.677SS**  trans-29.2116.8179.2-67.3177.5151.800111.5P167E165-P167 VanDerWaalsContact O-CD 3.25Å; E165-P167 WeakPolarHBondContact O-CD 3.48Å
166V44.3Very low46.6Very low114 Ų114136.1 Ų136.169%0.69169%0.685SS**  trans-56118.3176-177.60000106.3I163 G164 A168I163-V166 HydrophobicContact CG2-CG2 4.24Å; G164-V166 PolarHBondContact O-N 2.71Å; G164-V166 VanDerWaalsContact O-N 3.11Å; V166-A168 PolarHBondContact O-N 2.83Å; V166-A168 VanDerWaalsContact O-N 3.07Å
167P49.1Very low48.3Very low70 Ų70129.8 Ų129.846%0.45566%0.663SS.*  trans-56122.9-177.1-23.532000108.6E165 C169 P418E165-P167 VanDerWaalsContact O-CD 3.25Å; E165-P167 WeakPolarHBondContact O-CD 3.48Å; P167-C169 PolarHBondContact O-N 2.93Å; P167-P418 HydrophobicContact CB-CB 3.91Å; P167-P418 HydrophobicContact CB-CG 3.64Å
168A50.3Low50.3Low78 Ų78124.2 Ų124.265%0.64565%0.645SS**  trans-56.4112.1-177.900000109.7V166 R170 P418V166-A168 PolarHBondContact O-N 2.83Å; V166-A168 VanDerWaalsContact O-N 3.07Å; A168-R170 PolarHBondContact O-N 2.68Å; A168-R170 VanDerWaalsContact O-N 3.11Å; A168-P418 VanDerWaalsContact O-CG 3.26Å; A168-P418 WeakPolarHBondContact O-CG 3.39Å
169C46.6Very low52.7Low71 Ų71120.8 Ų120.848%0.4864%0.639SS.*  trans-59.2115.8177.3-64.60000109P167 Y417P167-C169 PolarHBondContact O-N 2.93Å; C169-Y417 VanDerWaalsContact SG-CE1 3.57Å
170R52.1Low54.8Low196 Ų196114 Ų11474%0.7462%0.618SS**EExtended strand (participates in β ladder)trans-90.5111.6170.1-71.3-174.4-179.61750.1108.2A168 V172A168-R170 PolarHBondContact O-N 2.68Å; A168-R170 VanDerWaalsContact O-N 3.11Å; R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.08Å
171L51.8Low57Low110 Ų110113.6 Ų113.658%0.57661%0.609SS**EExtended strand (participates in β ladder)trans-66.794.9168.1-75.2167000108.6H173 V413 I415L171-H173 PolarHBondContact O-N 3.06Å; L171-H173 PolarHBondContact O-ND1 3.47Å; L171-V413 HydrophobicContact CD2-CG1 4.22Å; L171-I415 HydrophobicContact CD2-CG1 4.11Å
172V52.5Low59.3Low72 Ų72107 Ų10744%0.43658%0.577SS.*EExtended strand (participates in β ladder)trans-75.997.1171.2-176.40000107.2R170 R174 K416R170-V172 VanDerWaalsContact C-N 3.34Å; R170-V172 PolarHBondContact O-N 3.08Å; V172-R174 PolarHBondContact O-N 3.46Å; V172-R174 VanDerWaalsContact O-N 3.09Å; V172-K416 HydrophobicContact CG2-CB 4.2Å; V172-K416 HydrophobicContact CG2-CD 4.31Å; V172-K416 HydrophobicContact CG2-CG 4.45Å
173H50.1Low61.8Low144 Ų144103.8 Ų103.867%0.66755%0.545SS*.  trans-65.2109.6167.9-77.272.6000107.7L171 R175L171-H173 PolarHBondContact O-N 3.06Å; L171-H173 PolarHBondContact O-ND1 3.47Å; H173-R175 PolarHBondContact O-N 3.24Å
174R56.6Low64.3Low115 Ų115101.8 Ų101.843%0.43453%0.532SS..  trans-62.1137.5170.7-143.3-176.9-164.3160.74.7107.6V172 Q176 L410V172-R174 PolarHBondContact O-N 3.46Å; V172-R174 VanDerWaalsContact O-N 3.09Å; R174-Q176 PolarHBondContact O-N 2.89Å; R174-L410 VanDerWaalsContact CD-O 3.25Å; R174-L410 WeakPolarHBondContact CD-O 3.34Å; R174-L410 PolarHBondContact NH1-O 3Å
175R56.6Low66.6Low178 Ų178100.1 Ų100.167%0.67251%0.51SS*.  trans-45.3134.7173.5-90-178.1173146-1.5109.2H173 L177H173-R175 PolarHBondContact O-N 3.24Å; R175-L177 PolarHBondContact O-N 3.46Å
176Q64Low68.9Low186 Ų18691.5 Ų91.587%0.86947%0.469SS*.  trans-54.3126.9176.5-70.3-179.5-4.900109R174 T178R174-Q176 PolarHBondContact O-N 2.89Å; Q176-T178 PolarHBondContact O-N 3.36Å; Q176-T178 VanDerWaalsContact O-N 3.14Å
177L76.2Confident71.2Confident46 Ų4687.5 Ų87.524%0.24144%0.442CS..  trans-67.7112178.2-16679000107.9R175 N181 V182 I185 V407 L410 R411R175-L177 PolarHBondContact O-N 3.46Å; L177-N181 HydrophobicContact CD1-CB 3.78Å; L177-N181 HydrophobicContact CG-CB 4.04Å; L177-V182 HydrophobicContact CD2-CG2 3.43Å; L177-V182 VanDerWaalsContact CD2-CG2 3.43Å; L177-V182 HydrophobicContact CG-CG2 4.05Å; L177-I185 HydrophobicContact CD1-CD1 4.43Å; L177-I185 HydrophobicContact CD2-CD1 4.41Å; L177-V407 HydrophobicContact CD2-CG1 3.9Å; L177-L410 HydrophobicContact CD1-CD1 4.48Å; L177-R411 HydrophobicContact CB-CG 4.41Å; L177-R411 HydrophobicContact CD2-CG 4.34Å
178T82.9Confident73.3Confident74 Ų7486.7 Ų86.745%0.45444%0.439SS..  trans-69.3159.3176.458.90000110.8Q176 A180 N181 V182Q176-T178 PolarHBondContact O-N 3.36Å; Q176-T178 VanDerWaalsContact O-N 3.14Å; T178-A180 VanDerWaalsContact C-N 3.3Å; T178-A180 PolarHBondContact O-N 2.97Å; T178-N181 WeakPolarHBondContact O-CB 3.45Å; T178-N181 PolarHBondContact O-N 3.28Å; T178-N181 VanDerWaalsContact O-N 3.11Å; T178-N181 PolarHBondContact OG1-N 3.24Å; T178-N181 PolarHBondContact OG1-ND2 3.29Å; T178-N181 PolarHBondContact OG1-OD1 2.97Å; T178-V182 PolarHBondContact O-N 3.48Å
179E85Confident75.3Confident153 Ų15385.6 Ų85.672%0.71542%0.421SS*.Hα-helixtrans-58.5-41.8176.3-171.1174.8-171.200111.9N181 V182 E183E179-N181 VanDerWaalsContact C-N 3.25Å; E179-N181 PolarHBondContact O-N 2.84Å; E179-V182 WeakPolarHBondContact O-CA 3.27Å; E179-V182 WeakPolarHBondContact O-CB 3.4Å; E179-V182 PolarHBondContact O-N 2.97Å; E179-E183 PolarHBondContact O-N 3.04Å
180A86.4Confident77.6Confident64 Ų6482.2 Ų82.253%0.52940%0.398SS..Hα-helixtrans-58.4-34.9174.800000113.1T178 E183 E184T178-A180 VanDerWaalsContact C-N 3.3Å; T178-A180 PolarHBondContact O-N 2.97Å; A180-E183 PolarHBondContact O-N 2.94Å; A180-E184 WeakPolarHBondContact O-CB 3.2Å; A180-E184 PolarHBondContact O-N 2.69Å
181N86.4Confident79.6Confident73 Ų7373.6 Ų73.639%0.3937%0.366SS..Hα-helixtrans-69.7-35.9175.9-67.2-11.5000111.5L177 T178 E179 I185L177-N181 HydrophobicContact CD1-CB 3.78Å; L177-N181 HydrophobicContact CG-CB 4.04Å; T178-N181 WeakPolarHBondContact O-CB 3.45Å; T178-N181 PolarHBondContact O-N 3.28Å; T178-N181 VanDerWaalsContact O-N 3.11Å; T178-N181 PolarHBondContact OG1-N 3.24Å; T178-N181 PolarHBondContact OG1-ND2 3.29Å; T178-N181 PolarHBondContact OG1-OD1 2.97Å; E179-N181 VanDerWaalsContact C-N 3.25Å; E179-N181 PolarHBondContact O-N 2.84Å; N181-I185 WeakPolarHBondContact O-CD1 3.45Å; N181-I185 WeakPolarHBondContact O-CG1 3.37Å; N181-I185 PolarHBondContact O-N 3.25Å
182V88.9Confident81.5Confident20 Ų2071.8 Ų71.812%0.12136%0.363CS..Hα-helixtrans-66.7-45.4175176.40000110.2L177 T178 E179 E184 I185 W186 V407L177-V182 HydrophobicContact CD2-CG2 3.43Å; L177-V182 VanDerWaalsContact CD2-CG2 3.43Å; L177-V182 HydrophobicContact CG-CG2 4.05Å; T178-V182 PolarHBondContact O-N 3.48Å; E179-V182 WeakPolarHBondContact O-CA 3.27Å; E179-V182 WeakPolarHBondContact O-CB 3.4Å; E179-V182 PolarHBondContact O-N 2.97Å; V182-E184 VanDerWaalsContact C-N 3.32Å; V182-E184 PolarHBondContact O-N 3.45Å; V182-I185 PolarHBondContact O-N 2.73Å; V182-W186 VanDerWaalsContact O-CD1 3.29Å; V182-W186 PolarHBondContact O-N 3.17Å; V182-V407 HydrophobicContact CG2-CG1 4.46Å
183E92.1Very high83.5Confident29 Ų2971.4 Ų71.414%0.13635%0.354CS..Hα-helixtrans-54.3-46174.6-76-172.8-155.500112.6E179 A180 W186 K187 S214 K215 I218E179-E183 PolarHBondContact O-N 3.04Å; A180-E183 PolarHBondContact O-N 2.94Å; E183-W186 WeakPolarHBondContact O-CB 3.47Å; E183-W186 PolarHBondContact O-N 3.2Å; E183-K187 PolarHBondContact O-N 3.43Å; E183-S214 WeakPolarHBondContact O-CB 3.28Å; E183-S214 PolarHBondContact OE2-OG 2.06Å; E183-K215 WeakPolarHBondContact OE1-CE 3.18Å; E183-K215 WeakPolarHBondContact OE2-CE 3.28Å; E183-I218 HydrophobicContact CB-CD1 4.41Å; E183-I218 HydrophobicContact CG-CD1 3.78Å
184E90.9Very high85.5Confident101 Ų10164.6 Ų64.647%0.47232%0.323SS..Hα-helixtrans-69.3-35.1179.1-172.158.2-158.500112.5A180 V182 W186 K187 S188A180-E184 WeakPolarHBondContact O-CB 3.2Å; A180-E184 PolarHBondContact O-N 2.69Å; V182-E184 VanDerWaalsContact C-N 3.32Å; V182-E184 PolarHBondContact O-N 3.45Å; E184-W186 VanDerWaalsContact C-N 3.35Å; E184-K187 PolarHBondContact O-N 2.84Å; E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3Å; E184-S188 PolarHBondContact O-N 3.26Å; E184-S188 PolarHBondContact O-OG 3.12Å
185I90Very high87.2Confident22 Ų2262 Ų6211%0.11332%0.316CS..Hα-helixtrans-62.2-45.4172.8-69161.6000110L177 N181 V182 S188 M189 I403 R406 V407 L410L177-I185 HydrophobicContact CD1-CD1 4.43Å; L177-I185 HydrophobicContact CD2-CD1 4.41Å; N181-I185 WeakPolarHBondContact O-CD1 3.45Å; N181-I185 WeakPolarHBondContact O-CG1 3.37Å; N181-I185 PolarHBondContact O-N 3.25Å; V182-I185 PolarHBondContact O-N 2.73Å; I185-S188 WeakPolarHBondContact CA-OG 3.34Å; I185-S188 PolarHBondContact O-OG 2.77Å; I185-M189 HydrophobicContact CG2-CG 4.23Å; I185-M189 HydrophobicContact CG2-SD 3.74Å; I185-M189 VanDerWaalsContact O-CB 3.29Å; I185-M189 WeakPolarHBondContact O-CB 3.4Å; I185-M189 WeakPolarHBondContact O-CG 3.36Å; I185-M189 PolarHBondContact O-N 2.85Å; I185-I403 HydrophobicContact CG2-CG2 4.1Å; I185-R406 HydrophobicContact CG2-CG 4.42Å; I185-V407 HydrophobicContact CD1-CG2 4.17Å; I185-V407 HydrophobicContact CG2-CG2 4.17Å; I185-L410 HydrophobicContact CD1-CD1 3.55Å
186W93.9Very high88.9Confident6 Ų661.8 Ų61.82%0.02332%0.319CS..Hα-helixtrans-59.7-47.7176.7-88.599.9000111.8V182 E183 E184 T190 I217 I218 V221 Y222 Q400 I403V182-W186 VanDerWaalsContact O-CD1 3.29Å; V182-W186 PolarHBondContact O-N 3.17Å; E183-W186 WeakPolarHBondContact O-CB 3.47Å; E183-W186 PolarHBondContact O-N 3.2Å; E184-W186 VanDerWaalsContact C-N 3.35Å; W186-T190 WeakPolarHBondContact O-CB 3.39Å; W186-T190 PolarHBondContact O-N 3.48Å; W186-T190 PolarHBondContact O-OG1 3.01Å; W186-I217 HydrophobicContact CE3-CG2 3.81Å; W186-I217 HydrophobicContact CZ3-CG2 4.47Å; W186-I218 HydrophobicContact CB-CD1 4.29Å; W186-I218 HydrophobicContact CB-CG1 4Å; W186-I218 HydrophobicContact CD2-CG1 4.07Å; W186-I218 HydrophobicContact CG-CD1 4.06Å; W186-I218 HydrophobicContact CG-CG1 3.61Å; W186-V221 HydrophobicContact CH2-CB 4.31Å; W186-V221 HydrophobicContact CH2-CG1 3.8Å; W186-V221 HydrophobicContact CH2-CG2 4.04Å; W186-V221 HydrophobicContact CZ2-CG1 4.44Å; W186-V221 HydrophobicContact CZ3-CB 4.45Å; W186-V221 HydrophobicContact CZ3-CG1 4.37Å; W186-V221 HydrophobicContact CZ3-CG2 3.75Å; W186-Y222 HydrophobicContact CH2-CE2 4.44Å; W186-Y222 AromaticContact CZ2-CE2 3.7Å; W186-Y222 HydrophobicContact CZ2-CE2 3.7Å; W186-Y222 AromaticContact CZ2-CZ 3.92Å; W186-Y222 WeakPolarHBondContact CZ2-OH 3.45Å; W186-Q400 HydrophobicContact CH2-CB 4.23Å; W186-Q400 HydrophobicContact CH2-CG 4.15Å; W186-I403 HydrophobicContact CD2-CD1 3.88Å; W186-I403 HydrophobicContact CD2-CG2 3.75Å; W186-I403 VanDerWaalsContact CE2-CG2 3.47Å; W186-I403 HydrophobicContact CE3-CD1 3.3Å; W186-I403 HydrophobicContact CE3-CG1 4.49Å; W186-I403 HydrophobicContact CE3-CG2 4.26Å; W186-I403 HydrophobicContact CG-CG2 4.1Å; W186-I403 HydrophobicContact CH2-CB 4.23Å; W186-I403 HydrophobicContact CH2-CD1 4.03Å; W186-I403 HydrophobicContact CH2-CG2 4.25Å; W186-I403 HydrophobicContact CZ2-CB 4.17Å; W186-I403 HydrophobicContact CZ2-CG2 3.75Å; W186-I403 HydrophobicContact CZ3-CB 4.45Å; W186-I403 HydrophobicContact CZ3-CD1 3.39Å; W186-I403 HydrophobicContact CZ3-CG1 4.49Å; W186-I403 HydrophobicContact CZ3-CG2 4.49Å
187K93.9Very high90.3Very high29 Ų2954 Ų5413%0.12628%0.284CS..Hα-helixtrans-60.4-55.6177.5-178.8172.4175.5164.40111.6E183 E184 M189 T190 L191 I209 V212E183-K187 PolarHBondContact O-N 3.43Å; E184-K187 PolarHBondContact O-N 2.84Å; K187-M189 PolarHBondContact O-N 3.36Å; K187-T190 PolarHBondContact O-N 3.01Å; K187-L191 HydrophobicContact CG-CD1 3.98Å; K187-L191 WeakPolarHBondContact O-CB 3.33Å; K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.46Å; K187-L191 PolarHBondContact O-N 3.36Å; K187-I209 VanDerWaalsContact CE-O 3.27Å; K187-I209 WeakPolarHBondContact CE-O 3.47Å; K187-I209 PolarHBondContact NZ-O 3.06Å; K187-V212 WeakPolarHBondContact CE-O 3.25Å; K187-V212 HydrophobicContact CG-CG1 4.3Å; K187-V212 PolarHBondContact NZ-O 3.23Å
188S92.6Very high90.9Very high54 Ų5452.9 Ų52.938%0.37828%0.278SS..Hα-helixtrans-62.9-43.2-175.856.90000113.2E184 I185 S192E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3Å; E184-S188 PolarHBondContact O-N 3.26Å; E184-S188 PolarHBondContact O-OG 3.12Å; I185-S188 WeakPolarHBondContact CA-OG 3.34Å; I185-S188 PolarHBondContact O-OG 2.77Å; S188-S192 VanDerWaalsContact O-CB 3.29Å; S188-S192 WeakPolarHBondContact O-CB 3.44Å; S188-S192 PolarHBondContact O-N 3.24Å
189M92.9Very high91.1Very high54 Ų5452.4 Ų52.427%0.26629%0.287SS..Hα-helixtrans-70.2-39179.1-70.4-170.764.100112.1I185 K187 S192 Y193 I403 R406I185-M189 HydrophobicContact CG2-CG 4.23Å; I185-M189 HydrophobicContact CG2-SD 3.74Å; I185-M189 VanDerWaalsContact O-CB 3.29Å; I185-M189 WeakPolarHBondContact O-CB 3.4Å; I185-M189 WeakPolarHBondContact O-CG 3.36Å; I185-M189 PolarHBondContact O-N 2.85Å; K187-M189 PolarHBondContact O-N 3.36Å; M189-S192 PolarHBondContact O-N 3.42Å; M189-Y193 VanDerWaalsContact O-CB 3.31Å; M189-Y193 WeakPolarHBondContact O-CB 3.14Å; M189-Y193 PolarHBondContact O-N 3.14Å; M189-I403 HydrophobicContact CB-CD1 3.91Å; M189-I403 HydrophobicContact CB-CG1 3.75Å; M189-I403 HydrophobicContact CE-CG1 3.74Å; M189-I403 HydrophobicContact CG-CG1 4.28Å; M189-I403 HydrophobicContact SD-CB 4.34Å; M189-I403 HydrophobicContact SD-CG1 3.68Å; M189-R406 HydrophobicContact CE-CB 4.47Å; M189-R406 HydrophobicContact SD-CB 4.03Å; M189-R406 HydrophobicContact SD-CG 3.94Å
190T94.4Very high91.2Very high0 Ų047.9 Ų47.90%027%0.268CS..Hα-helixtrans-63.8-44.8177-56.40000111W186 K187 Y193 L194 I217 I314 L318 L399W186-T190 WeakPolarHBondContact O-CB 3.39Å; W186-T190 PolarHBondContact O-N 3.48Å; W186-T190 PolarHBondContact O-OG1 3.01Å; K187-T190 PolarHBondContact O-N 3.01Å; T190-Y193 PolarHBondContact O-N 3.31Å; T190-L194 PolarHBondContact O-N 3.39Å; T190-I217 HydrophobicContact CG2-CD1 4.29Å; T190-I217 HydrophobicContact CG2-CG2 4.48Å; T190-I314 HydrophobicContact CG2-CG2 3.78Å; T190-L318 HydrophobicContact CG2-CD2 4.01Å; T190-L399 HydrophobicContact CG2-CD2 4.15Å
191L93.8Very high91.1Very high15 Ų1552.9 Ų52.98%0.07929%0.286CS..Hα-helixtrans-65.9-43.8176.7-68.1176.5000111.9K187 Y193 L194 Q195 L203 L207 I209 V212K187-L191 HydrophobicContact CG-CD1 3.98Å; K187-L191 WeakPolarHBondContact O-CB 3.33Å; K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.46Å; K187-L191 PolarHBondContact O-N 3.36Å; L191-Y193 VanDerWaalsContact C-N 3.25Å; L191-Y193 PolarHBondContact O-N 3.49Å; L191-L194 PolarHBondContact O-N 2.89Å; L191-Q195 WeakPolarHBondContact O-CB 3.43Å; L191-Q195 PolarHBondContact O-N 3.14Å; L191-L203 HydrophobicContact CB-CD1 4Å; L191-L203 HydrophobicContact CD2-CD1 4.11Å; L191-L203 WeakPolarHBondContact O-CD1 3.3Å; L191-L207 HydrophobicContact CD2-CD2 3.55Å; L191-I209 HydrophobicContact CD1-CG1 4.46Å; L191-I209 HydrophobicContact CD1-CG2 3.84Å; L191-V212 HydrophobicContact CD2-CG2 4.43Å
192S91.9Very high91.1Very high72 Ų7251.9 Ų51.950%0.50329%0.285SS..Hα-helixtrans-60.3-38.4176.3-174.50000112S188 M189 K196S188-S192 VanDerWaalsContact O-CB 3.29Å; S188-S192 WeakPolarHBondContact O-CB 3.44Å; S188-S192 PolarHBondContact O-N 3.24Å; M189-S192 PolarHBondContact O-N 3.42Å; S192-K196 WeakPolarHBondContact O-CB 3.34Å; S192-K196 PolarHBondContact O-N 3.14Å
193Y93.1Very high91Very high65 Ų6551.2 Ų51.226%0.25528%0.28SS..Hα-helixtrans-67.7-44.1176.7-163.9-95.9000111.6M189 T190 L191 Q195 K196 I197 I314 L399M189-Y193 VanDerWaalsContact O-CB 3.31Å; M189-Y193 WeakPolarHBondContact O-CB 3.14Å; M189-Y193 PolarHBondContact O-N 3.14Å; T190-Y193 PolarHBondContact O-N 3.31Å; L191-Y193 VanDerWaalsContact C-N 3.25Å; L191-Y193 PolarHBondContact O-N 3.49Å; Y193-Q195 PolarHBondContact O-N 3.41Å; Y193-K196 PolarHBondContact O-N 3.35Å; Y193-I197 HydrophobicContact CD1-CD1 3.4Å; Y193-I197 VanDerWaalsContact CD1-CD1 3.4Å; Y193-I197 HydrophobicContact CD1-CG1 4.23Å; Y193-I197 HydrophobicContact CE1-CD1 3.25Å; Y193-I197 HydrophobicContact CE1-CG1 4.11Å; Y193-I197 HydrophobicContact CG-CD1 4.46Å; Y193-I197 WeakPolarHBondContact O-CG1 3.32Å; Y193-I197 PolarHBondContact O-N 2.88Å; Y193-I314 HydrophobicContact CD1-CD1 3.46Å; Y193-I314 VanDerWaalsContact CD1-CD1 3.46Å; Y193-I314 HydrophobicContact CD1-CG1 3.76Å; Y193-I314 HydrophobicContact CE1-CD1 3.8Å; Y193-I314 HydrophobicContact CE1-CG1 4.04Å; Y193-I314 HydrophobicContact CG-CD1 4.48Å; Y193-L399 HydrophobicContact CD2-CD1 4.41Å; Y193-L399 HydrophobicContact CG-CD1 4.15Å
194L93.3Very high90.6Very high1 Ų157.2 Ų57.21%0.00531%0.309CS..Hα-helixtrans-58.6-47.5174.2-177.159.7000111.8T190 L191 K196 I197 L198 L203 I314 L318T190-L194 PolarHBondContact O-N 3.39Å; L191-L194 PolarHBondContact O-N 2.89Å; L194-K196 VanDerWaalsContact C-N 3.3Å; L194-K196 PolarHBondContact O-N 3.12Å; L194-I197 PolarHBondContact O-N 2.83Å; L194-L198 HydrophobicContact CD1-CD1 3.96Å; L194-L198 HydrophobicContact CD1-CG 4.05Å; L194-L198 HydrophobicContact CG-CD1 3.97Å; L194-L198 HydrophobicContact CG-CG 4.38Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.42Å; L194-L203 HydrophobicContact CG-CD2 4.49Å; L194-I314 HydrophobicContact CB-CG2 3.82Å; L194-I314 HydrophobicContact CD1-CB 4.42Å; L194-I314 HydrophobicContact CD1-CG2 4.16Å; L194-I314 HydrophobicContact CG-CG2 4.43Å; L194-L318 HydrophobicContact CD2-CD1 4.14Å
195Q92.9Very high90Very high61 Ų6161.1 Ų61.129%0.28533%0.327SS..Hα-helixtrans-56.3-45.7177.5-175.4-179-12.900111.7L191 Y193 I197 L198 G199 L200 D201 L203L191-Q195 WeakPolarHBondContact O-CB 3.43Å; L191-Q195 PolarHBondContact O-N 3.14Å; Y193-Q195 PolarHBondContact O-N 3.41Å; Q195-I197 PolarHBondContact O-N 3.5Å; Q195-L198 PolarHBondContact O-N 3.34Å; Q195-G199 PolarHBondContact O-N 3.46Å; Q195-L200 WeakPolarHBondContact CG-O 3.21Å; Q195-L200 PolarHBondContact NE2-O 3Å; Q195-L200 PolarHBondContact O-N 3.45Å; Q195-D201 VanDerWaalsContact NE2-C 3.27Å; Q195-D201 PolarHBondContact NE2-O 3.36Å; Q195-L203 HydrophobicContact CB-CD1 3.97Å; Q195-L203 HydrophobicContact CB-CD2 4.05Å; Q195-L203 HydrophobicContact CB-CG 3.82Å; Q195-L203 HydrophobicContact CG-CD2 4.45Å; Q195-L203 HydrophobicContact CG-CG 4.17Å
196K92Very high89.7Confident172 Ų17260.7 Ų60.775%0.74833%0.325SS*.Hα-helixtrans-63.6-39.9178.5-176.3-177.1175.7-172.90112.2S192 Y193 L194 G199S192-K196 WeakPolarHBondContact O-CB 3.34Å; S192-K196 PolarHBondContact O-N 3.14Å; Y193-K196 PolarHBondContact O-N 3.35Å; L194-K196 VanDerWaalsContact C-N 3.3Å; L194-K196 PolarHBondContact O-N 3.12Å; K196-G199 PolarHBondContact O-N 3.28Å
197I92.3Very high89.4Confident24 Ų2460.8 Ų60.812%0.12333%0.326CS..Hα-helixtrans-68.2-44.2178.4-68.3166.2000111.2Y193 L194 Q195 G199 L301 V307 E310 A311 I314Y193-I197 HydrophobicContact CD1-CD1 3.4Å; Y193-I197 VanDerWaalsContact CD1-CD1 3.4Å; Y193-I197 HydrophobicContact CD1-CG1 4.23Å; Y193-I197 HydrophobicContact CE1-CD1 3.25Å; Y193-I197 HydrophobicContact CE1-CG1 4.11Å; Y193-I197 HydrophobicContact CG-CD1 4.46Å; Y193-I197 WeakPolarHBondContact O-CG1 3.32Å; Y193-I197 PolarHBondContact O-N 2.88Å; L194-I197 PolarHBondContact O-N 2.83Å; Q195-I197 PolarHBondContact O-N 3.5Å; I197-G199 PolarHBondContact O-N 3.18Å; I197-L301 HydrophobicContact CG2-CD1 4.35Å; I197-V307 HydrophobicContact CG2-CG1 3.71Å; I197-E310 HydrophobicContact CD1-CB 4.18Å; I197-A311 HydrophobicContact CG2-CB 3.65Å; I197-I314 HydrophobicContact CD1-CG1 4.12Å
198L89.2Confident89Confident21 Ų2163.2 Ų63.211%0.1134%0.34CS..Hα-helixtrans-71-19.7178.8-62.8-179.4000112.4L194 Q195 L200 L203 V206 V298 L301L194-L198 HydrophobicContact CD1-CD1 3.96Å; L194-L198 HydrophobicContact CD1-CG 4.05Å; L194-L198 HydrophobicContact CG-CD1 3.97Å; L194-L198 HydrophobicContact CG-CG 4.38Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.42Å; Q195-L198 PolarHBondContact O-N 3.34Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 HydrophobicContact CB-CD1 3.75Å; L198-L200 HydrophobicContact CB-CG 3.77Å; L198-L200 HydrophobicContact CD1-CD1 3.84Å; L198-L200 HydrophobicContact CG-CD1 4.45Å; L198-L203 HydrophobicContact CD1-CD2 4.3Å; L198-V206 HydrophobicContact CD1-CG1 4.45Å; L198-V298 HydrophobicContact CD2-CG2 4.06Å; L198-L301 HydrophobicContact CD2-CD1 3.64Å
199G87.1Confident88.7Confident64 Ų6464 Ų6466%0.6634%0.34SS*.THydrogen-bonded Turntrans70.331.5-179.200000112.9Q195 K196 I197Q195-G199 PolarHBondContact O-N 3.46Å; K196-G199 PolarHBondContact O-N 3.28Å; I197-G199 PolarHBondContact O-N 3.18Å
200L88.3Confident88.3Confident58 Ų5870.2 Ų70.230%0.30437%0.365SS..  trans-97.3144-177.4-59.8172.1000111.3Q195 L198 S202 L203 V206Q195-L200 WeakPolarHBondContact CG-O 3.21Å; Q195-L200 PolarHBondContact NE2-O 3Å; Q195-L200 PolarHBondContact O-N 3.45Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 HydrophobicContact CB-CD1 3.75Å; L198-L200 HydrophobicContact CB-CG 3.77Å; L198-L200 HydrophobicContact CD1-CD1 3.84Å; L198-L200 HydrophobicContact CG-CD1 4.45Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 WeakPolarHBondContact CB-O 3.44Å; L200-L203 HydrophobicContact CD1-CD2 4.28Å; L200-V206 HydrophobicContact CD1-CB 4.45Å; L200-V206 HydrophobicContact CD1-CG2 3.65Å
201D83.4Confident87.9Confident169 Ų16974.7 Ų74.790%0.90439%0.389SS*.SBendtrans-72.6-27.6175.1-67.5-40.1000112.2Q195Q195-D201 VanDerWaalsContact NE2-C 3.27Å; Q195-D201 PolarHBondContact NE2-O 3.36Å
202S86.3Confident87.7Confident53 Ų5374.7 Ų74.737%0.37139%0.389SS..  trans-147.2152.7174.4-178.80000110.7L200 E204L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 WeakPolarHBondContact CB-O 3.44Å; S202-E204 WeakPolarHBondContact OG-CG 3.28Å; S202-E204 PolarHBondContact OG-N 3.37Å
203L86.5Confident87.7Confident6 Ų674 Ų743%0.03138%0.38CS..SBendtrans-91.9-4.3173.8-72.3177.6000113.5L191 L194 Q195 L198 L200 E205 V206 L207L191-L203 HydrophobicContact CB-CD1 4Å; L191-L203 HydrophobicContact CD2-CD1 4.11Å; L191-L203 WeakPolarHBondContact O-CD1 3.3Å; L194-L203 HydrophobicContact CG-CD2 4.49Å; Q195-L203 HydrophobicContact CB-CD1 3.97Å; Q195-L203 HydrophobicContact CB-CD2 4.05Å; Q195-L203 HydrophobicContact CB-CG 3.82Å; Q195-L203 HydrophobicContact CG-CD2 4.45Å; Q195-L203 HydrophobicContact CG-CG 4.17Å; L198-L203 HydrophobicContact CD1-CD2 4.3Å; L200-L203 HydrophobicContact CD1-CD2 4.28Å; L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 3.25Å; L203-V206 PolarHBondContact O-N 3.49Å; L203-L207 PolarHBondContact O-N 3.37Å
204E83Confident87.6Confident155 Ų15571.7 Ų71.772%0.72437%0.373SS*.THydrogen-bonded Turntrans-60.8-31.8-173.7-70.9175.9173.300113.8S202 V206S202-E204 WeakPolarHBondContact OG-CG 3.28Å; S202-E204 PolarHBondContact OG-N 3.37Å; E204-V206 VanDerWaalsContact C-N 3.28Å; E204-V206 PolarHBondContact O-N 3.16Å
205E79.4Confident87.6Confident183 Ų18377.4 Ų77.486%0.85540%0.398SS*.THydrogen-bonded Turntrans-76.9-14.9177.8-63.9-175.6172.500113.2L203L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 3.25Å
206V83.6Confident87.6Confident13 Ų1377.7 Ų77.78%0.07940%0.398CS..THydrogen-bonded Turntrans-115.9-26.3-170.1177.90000112.1L198 L200 L203 E204 A294L198-V206 HydrophobicContact CD1-CG1 4.45Å; L200-V206 HydrophobicContact CD1-CB 4.45Å; L200-V206 HydrophobicContact CD1-CG2 3.65Å; L203-V206 PolarHBondContact O-N 3.49Å; E204-V206 VanDerWaalsContact C-N 3.28Å; E204-V206 PolarHBondContact O-N 3.16Å; V206-A294 HydrophobicContact CG1-CB 3.89Å; V206-A294 PolarHBondContact O-N 2.93Å
207L87.4Confident87.7Confident8 Ų869.5 Ų69.54%0.04236%0.363CS..  trans-152.8131.4-173.5-175.167000111.8L191 L203 I209 V212 L291 L318L191-L207 HydrophobicContact CD2-CD2 3.55Å; L203-L207 PolarHBondContact O-N 3.37Å; L207-I209 PolarHBondContact O-N 2.89Å; L207-I209 VanDerWaalsContact O-N 3.16Å; L207-V212 HydrophobicContact CD1-CG2 4.23Å; L207-V212 HydrophobicContact CD2-CG2 3.62Å; L207-V212 HydrophobicContact CG-CG2 3.99Å; L207-L291 HydrophobicContact CD1-CD2 3.38Å; L207-L318 HydrophobicContact CD2-CD1 4.08Å
208D85.6Confident87.8Confident80 Ų8070.3 Ų70.343%0.42837%0.367SS..  trans-77.2102.3165.9-171.5-11000110.5K210 L211D208-K210 PolarHBondContact O-N 2.82Å; D208-K210 VanDerWaalsContact O-N 3.08Å; D208-K210 VanDerWaalsContact OD1-CB 3.29Å; D208-K210 WeakPolarHBondContact OD1-CB 3.39Å; D208-K210 PolarHBondContact OD1-N 3.22Å; D208-L211 HydrophobicContact CB-CB 4.48Å; D208-L211 HydrophobicContact CB-CD1 3.96Å; D208-L211 HydrophobicContact CB-CG 4.06Å; D208-L211 PolarHBondContact O-N 3.35Å
209I85.8Confident88Confident70 Ų7070.7 Ų70.736%0.35937%0.368SS..THydrogen-bonded Turntrans-56.1-26.7179.8-59.6170.5000111.8K187 L191 L207 L211 V212K187-I209 VanDerWaalsContact CE-O 3.27Å; K187-I209 WeakPolarHBondContact CE-O 3.47Å; K187-I209 PolarHBondContact NZ-O 3.06Å; L191-I209 HydrophobicContact CD1-CG1 4.46Å; L191-I209 HydrophobicContact CD1-CG2 3.84Å; L207-I209 PolarHBondContact O-N 2.89Å; L207-I209 VanDerWaalsContact O-N 3.16Å; I209-L211 VanDerWaalsContact C-N 3.34Å; I209-V212 PolarHBondContact O-N 2.85Å
210K85Confident88.4Confident184 Ų18467.6 Ų67.680%0.834%0.336SS*.THydrogen-bonded Turntrans-71.4-30.9-179.6-62.4175.9-177.8170.10112.4D208 V212D208-K210 PolarHBondContact O-N 2.82Å; D208-K210 VanDerWaalsContact O-N 3.08Å; D208-K210 VanDerWaalsContact OD1-CB 3.29Å; D208-K210 WeakPolarHBondContact OD1-CB 3.39Å; D208-K210 PolarHBondContact OD1-N 3.22Å; K210-V212 VanDerWaalsContact C-N 3.32Å
211L86.2Confident88.7Confident95 Ų9565.2 Ų65.250%0.49732%0.324SS..THydrogen-bonded Turntrans-81.6-13.6-179-60179.8000112.8D208 I209 N213 H290D208-L211 HydrophobicContact CB-CB 4.48Å; D208-L211 HydrophobicContact CB-CD1 3.96Å; D208-L211 HydrophobicContact CB-CG 4.06Å; D208-L211 PolarHBondContact O-N 3.35Å; I209-L211 VanDerWaalsContact C-N 3.34Å; L211-N213 PolarHBondContact O-N 3.17Å; L211-H290 HydrophobicContact CD1-CB 4.37Å; L211-H290 VanDerWaalsContact CD1-ND1 3.32Å; L211-H290 WeakPolarHBondContact CD1-ND1 3.48Å
212V89.6Confident89.1Confident14 Ų1462.5 Ų62.59%0.08530%0.302CS..  trans-72.5118.8178.3-179.90000110.8K187 L191 L207 I209 K210 I217 L318K187-V212 WeakPolarHBondContact CE-O 3.25Å; K187-V212 HydrophobicContact CG-CG1 4.3Å; K187-V212 PolarHBondContact NZ-O 3.23Å; L191-V212 HydrophobicContact CD2-CG2 4.43Å; L207-V212 HydrophobicContact CD1-CG2 4.23Å; L207-V212 HydrophobicContact CD2-CG2 3.62Å; L207-V212 HydrophobicContact CG-CG2 3.99Å; I209-V212 PolarHBondContact O-N 2.85Å; K210-V212 VanDerWaalsContact C-N 3.32Å; V212-I217 HydrophobicContact CG1-CD1 4.25Å; V212-L318 HydrophobicContact CG1-CD2 4.02Å
213N91.1Very high89.4Confident59 Ų5961.6 Ų61.632%0.31630%0.296SS..  trans-94.5116177.6-169-29.4000111.3L211 K215 F216L211-N213 PolarHBondContact O-N 3.17Å; N213-K215 PolarHBondContact O-N 2.94Å; N213-K215 VanDerWaalsContact OD1-CB 3.31Å; N213-K215 WeakPolarHBondContact OD1-CB 3.33Å; N213-K215 PolarHBondContact OD1-N 3.14Å; N213-F216 HydrophobicContact CB-CD1 4.25Å; N213-F216 HydrophobicContact CB-CD2 3.64Å; N213-F216 HydrophobicContact CB-CE1 4.38Å; N213-F216 HydrophobicContact CB-CE2 3.78Å; N213-F216 HydrophobicContact CB-CG 3.87Å; N213-F216 HydrophobicContact CB-CZ 4.15Å; N213-F216 PolarHBondContact O-N 3.43Å
214S91.8Very high89.7Confident15 Ų1563.4 Ų63.411%0.10531%0.307CS..Hα-helixtrans-55.5-36.5176.744.60000113.3E183 F216 I217 I218E183-S214 WeakPolarHBondContact O-CB 3.28Å; E183-S214 PolarHBondContact OE2-OG 2.06Å; S214-F216 VanDerWaalsContact C-N 3.3Å; S214-F216 PolarHBondContact O-N 3.24Å; S214-I217 WeakPolarHBondContact O-CB 3.2Å; S214-I217 PolarHBondContact O-N 3.4Å; S214-I218 PolarHBondContact O-N 3.28Å
215K92.3Very high90Very high122 Ų12257.3 Ų57.353%0.5328%0.281SS..Hα-helixtrans-67.2-32.7-177.7-62-178.1170.6-178.80112.2E183 N213 I217 H219E183-K215 WeakPolarHBondContact OE1-CE 3.18Å; E183-K215 WeakPolarHBondContact OE2-CE 3.28Å; N213-K215 PolarHBondContact O-N 2.94Å; N213-K215 VanDerWaalsContact OD1-CB 3.31Å; N213-K215 WeakPolarHBondContact OD1-CB 3.33Å; N213-K215 PolarHBondContact OD1-N 3.14Å; K215-I217 VanDerWaalsContact C-N 3.35Å; K215-H219 VanDerWaalsContact O-CB 3.25Å; K215-H219 WeakPolarHBondContact O-CB 3.34Å; K215-H219 PolarHBondContact O-N 3.2Å
216F94.3Very high90.2Very high67 Ų6758.7 Ų58.729%0.29429%0.285SS..Hα-helixtrans-64.2-43.5176.3-63.3-10.9000110.8N213 S214 H219 N220 P320 P321N213-F216 HydrophobicContact CB-CD1 4.25Å; N213-F216 HydrophobicContact CB-CD2 3.64Å; N213-F216 HydrophobicContact CB-CE1 4.38Å; N213-F216 HydrophobicContact CB-CE2 3.78Å; N213-F216 HydrophobicContact CB-CG 3.87Å; N213-F216 HydrophobicContact CB-CZ 4.15Å; N213-F216 PolarHBondContact O-N 3.43Å; S214-F216 VanDerWaalsContact C-N 3.3Å; S214-F216 PolarHBondContact O-N 3.24Å; F216-H219 PolarHBondContact O-N 3.38Å; F216-N220 WeakPolarHBondContact O-CB 3.2Å; F216-N220 PolarHBondContact O-N 3.45Å; F216-N220 PolarHBondContact O-ND2 3.44Å; F216-N220 VanDerWaalsContact O-ND2 3.17Å; F216-P320 HydrophobicContact CD2-CB 4.43Å; F216-P320 HydrophobicContact CD2-CG 4.36Å; F216-P320 HydrophobicContact CE2-CB 4.19Å; F216-P320 HydrophobicContact CE2-CG 4.04Å; F216-P321 HydrophobicContact CD1-CG 4.27Å
217I94.1Very high90.2Very high0 Ų064.4 Ų64.40%031%0.31CS..Hα-helixtrans-59.5-51.9178.4-55.9173.6000110.1W186 T190 V212 S214 K215 H219 N220 V221 L317 L318W186-I217 HydrophobicContact CE3-CG2 3.81Å; W186-I217 HydrophobicContact CZ3-CG2 4.47Å; T190-I217 HydrophobicContact CG2-CD1 4.29Å; T190-I217 HydrophobicContact CG2-CG2 4.48Å; V212-I217 HydrophobicContact CG1-CD1 4.25Å; S214-I217 WeakPolarHBondContact O-CB 3.2Å; S214-I217 PolarHBondContact O-N 3.4Å; K215-I217 VanDerWaalsContact C-N 3.35Å; I217-H219 PolarHBondContact O-N 2.9Å; I217-N220 PolarHBondContact O-N 3.11Å; I217-V221 VanDerWaalsContact O-CG2 3.32Å; I217-V221 WeakPolarHBondContact O-CG2 3.27Å; I217-V221 PolarHBondContact O-N 3.05Å; I217-L317 HydrophobicContact CG2-CB 4.47Å; I217-L318 HydrophobicContact CD1-CD2 3.73Å; I217-L318 HydrophobicContact CG1-CD2 3.99Å
218I94.1Very high90.1Very high41 Ų4165.2 Ų65.221%0.2132%0.321CS..Hα-helixtrans-61.3-47.4-178.8-66.8172.4000110.9E183 W186 S214 N220 V221 Y222E183-I218 HydrophobicContact CB-CD1 4.41Å; E183-I218 HydrophobicContact CG-CD1 3.78Å; W186-I218 HydrophobicContact CB-CD1 4.29Å; W186-I218 HydrophobicContact CB-CG1 4Å; W186-I218 HydrophobicContact CD2-CG1 4.07Å; W186-I218 HydrophobicContact CG-CD1 4.06Å; W186-I218 HydrophobicContact CG-CG1 3.61Å; S214-I218 PolarHBondContact O-N 3.28Å; I218-N220 VanDerWaalsContact C-N 3.32Å; I218-N220 PolarHBondContact O-N 3.29Å; I218-V221 PolarHBondContact O-N 3.45Å; I218-V221 VanDerWaalsContact O-N 3.13Å; I218-Y222 HydrophobicContact CG2-CD2 3.81Å; I218-Y222 HydrophobicContact CG2-CE2 4.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.45Å; I218-Y222 PolarHBondContact O-N 3.25Å
219H94.3Very high90.4Very high28 Ų2862 Ų6213%0.1330%0.304CS..Hα-helixtrans-62.3-41.1178.5-179-72.6000111.4K215 F216 I217 V221 S223 I231 D233 P321K215-H219 VanDerWaalsContact O-CB 3.25Å; K215-H219 WeakPolarHBondContact O-CB 3.34Å; K215-H219 PolarHBondContact O-N 3.2Å; F216-H219 PolarHBondContact O-N 3.38Å; I217-H219 PolarHBondContact O-N 2.9Å; H219-V221 PolarHBondContact O-N 2.97Å; H219-S223 WeakPolarHBondContact O-CA 3.47Å; H219-S223 WeakPolarHBondContact O-CB 3.32Å; H219-S223 PolarHBondContact O-N 2.98Å; H219-I231 PolarHBondContact CE1-O 2.82Å; H219-I231 PolarHBondContact NE2-O 3.32Å; H219-D233 IonicContact CD2-OD2 3.97Å; H219-D233 IonicContact NE2-OD2 2.76Å; H219-P321 HydrophobicContact CB-CG 4.16Å; H219-P321 WeakPolarHBondContact ND1-CB 3.34Å; H219-P321 WeakPolarHBondContact ND1-CG 3.29Å
220N94.6Very high90.7Very high0 Ų058.6 Ų58.60%029%0.287CS..Hα-helixtrans-65.2-24.6176.5-80.5-26.5000113.3F216 I217 I218 V224 L317 L319 R324F216-N220 WeakPolarHBondContact O-CB 3.2Å; F216-N220 PolarHBondContact O-N 3.45Å; F216-N220 PolarHBondContact O-ND2 3.44Å; F216-N220 VanDerWaalsContact O-ND2 3.17Å; I217-N220 PolarHBondContact O-N 3.11Å; I218-N220 VanDerWaalsContact C-N 3.32Å; I218-N220 PolarHBondContact O-N 3.29Å; N220-V224 WeakPolarHBondContact O-CG1 3.26Å; N220-L317 HydrophobicContact CB-CD2 3.97Å; N220-L317 PolarHBondContact ND2-O 3.38Å; N220-L319 PolarHBondContact ND2-O 3.38Å; N220-R324 PolarHBondContact O-NH1 3.43Å; N220-R324 WeakPolarHBondContact OD1-CD 3.27Å
221V93.6Very high91Very high7 Ų753.8 Ų53.84%0.04227%0.268CS..Hα-helixtrans-84.4-50176.3169.90000111.2W186 I217 I218 H219 L317 V395 Q400W186-V221 HydrophobicContact CH2-CB 4.31Å; W186-V221 HydrophobicContact CH2-CG1 3.8Å; W186-V221 HydrophobicContact CH2-CG2 4.04Å; W186-V221 HydrophobicContact CZ2-CG1 4.44Å; W186-V221 HydrophobicContact CZ3-CB 4.45Å; W186-V221 HydrophobicContact CZ3-CG1 4.37Å; W186-V221 HydrophobicContact CZ3-CG2 3.75Å; I217-V221 VanDerWaalsContact O-CG2 3.32Å; I217-V221 WeakPolarHBondContact O-CG2 3.27Å; I217-V221 PolarHBondContact O-N 3.05Å; I218-V221 PolarHBondContact O-N 3.45Å; I218-V221 VanDerWaalsContact O-N 3.13Å; H219-V221 PolarHBondContact O-N 2.97Å; V221-L317 HydrophobicContact CG2-CD1 4.17Å; V221-L317 HydrophobicContact CG2-CD2 4.02Å; V221-V395 HydrophobicContact CB-CG1 4.3Å; V221-V395 HydrophobicContact CG1-CG1 3.99Å; V221-V395 HydrophobicContact CG2-CG1 4.09Å; V221-Q400 HydrophobicContact CG1-CB 4.47Å; V221-Q400 HydrophobicContact CG1-CG 4.06Å
222Y93Very high91.2Very high112 Ų11250.5 Ų50.544%0.43925%0.252SS..Hα-helixtrans-95.5-30.5-169-67.5-69.5000114.5W186 I218 V224 E404W186-Y222 HydrophobicContact CH2-CE2 4.44Å; W186-Y222 AromaticContact CZ2-CE2 3.7Å; W186-Y222 HydrophobicContact CZ2-CE2 3.7Å; W186-Y222 AromaticContact CZ2-CZ 3.92Å; W186-Y222 WeakPolarHBondContact CZ2-OH 3.45Å; I218-Y222 HydrophobicContact CG2-CD2 3.81Å; I218-Y222 HydrophobicContact CG2-CE2 4.28Å; I218-Y222 WeakPolarHBondContact O-CD2 3.45Å; I218-Y222 PolarHBondContact O-N 3.25Å; Y222-V224 VanDerWaalsContact C-N 3.31Å; Y222-V224 PolarHBondContact O-N 3.26Å; Y222-V224 VanDerWaalsContact O-N 3.13Å; Y222-E404 WeakPolarHBondContact CE1-OE1 3.49Å; Y222-E404 WeakPolarHBondContact OH-CG 3.29Å; Y222-E404 PolarHBondContact OH-OE1 3.22Å
223S92.8Very high90.9Very high35 Ų3556.4 Ų56.425%0.24528%0.282CS..SBendtrans-90.961.7-177.9-55.40000111.1H219 V230 I231H219-S223 WeakPolarHBondContact O-CA 3.47Å; H219-S223 WeakPolarHBondContact O-CB 3.32Å; H219-S223 PolarHBondContact O-N 2.98Å; S223-V230 CarbonylContact O-C 3.53Å; S223-V230 WeakPolarHBondContact O-CA 3.31Å; S223-I231 PolarHBondContact O-N 2.94Å
224V91.8Very high90.7Very high44 Ų4457 Ų5727%0.26729%0.286SS..BIsolated β-bridgetrans-122.4145.2179.8-64.20000112.4N220 Y222 V229 V230 V395N220-V224 WeakPolarHBondContact O-CG1 3.26Å; Y222-V224 VanDerWaalsContact C-N 3.31Å; Y222-V224 PolarHBondContact O-N 3.26Å; Y222-V224 VanDerWaalsContact O-N 3.13Å; V224-V229 CarbonylContact C-O 3.55Å; V224-V229 WeakPolarHBondContact CA-O 3.29Å; V224-V230 HydrophobicContact CG1-CG2 4.38Å; V224-V395 HydrophobicContact CG1-CG2 4.26Å
225S89.4Confident90.2Very high27 Ų2764.7 Ų64.719%0.18932%0.317CS..  trans-71.7169.5175.987.40000111.5Q227 G228 V229S225-Q227 PolarHBondContact O-N 3.4Å; S225-Q227 VanDerWaalsContact O-N 3.07Å; S225-Q227 PolarHBondContact OG-N 3.49Å; S225-Q227 VanDerWaalsContact OG-N 3.15Å; S225-Q227 PolarHBondContact OG-OE1 3.48Å; S225-G228 WeakPolarHBondContact O-CA 3.28Å; S225-G228 PolarHBondContact O-N 2.88Å; S225-V229 PolarHBondContact N-O 3.27Å; S225-V229 PolarHBondContact OG-N 3.49Å
226K85Confident89.7Confident212 Ų21263.5 Ų63.592%0.92232%0.324SS*.THydrogen-bonded Turntrans-56.2-26172.9-64.7-175179.1-1780113.4G228K226-G228 VanDerWaalsContact C-N 3.33Å
227Q83.6Confident89.2Confident132 Ų13264.9 Ų64.962%0.61733%0.33SS*.THydrogen-bonded Turntrans-91.68.4176.6-55.580.88.700112.5S225 V229 R332S225-Q227 PolarHBondContact O-N 3.4Å; S225-Q227 VanDerWaalsContact O-N 3.07Å; S225-Q227 PolarHBondContact OG-N 3.49Å; S225-Q227 VanDerWaalsContact OG-N 3.15Å; S225-Q227 PolarHBondContact OG-OE1 3.48Å; Q227-V229 PolarHBondContact O-N 3.38Å; Q227-R332 PolarHBondContact O-NH2 2.8Å
228G84.9Confident88.8Confident25 Ų2567.9 Ų67.926%0.25834%0.344SS..SBendtrans75.316.2-17900000115S225 K226 Q328S225-G228 WeakPolarHBondContact O-CA 3.28Å; S225-G228 PolarHBondContact O-N 2.88Å; K226-G228 VanDerWaalsContact C-N 3.33Å; G228-Q328 PolarHBondContact O-NE2 3.34Å
229V90.3Very high88.6Confident12 Ų1266.3 Ų66.37%0.07334%0.336CS..PPolyproline II helixtrans-87.5130177.6-175.20000109.9V224 S225 Q227 I231 R325 R332V224-V229 CarbonylContact C-O 3.55Å; V224-V229 WeakPolarHBondContact CA-O 3.29Å; S225-V229 PolarHBondContact N-O 3.27Å; S225-V229 PolarHBondContact OG-N 3.49Å; Q227-V229 PolarHBondContact O-N 3.38Å; V229-I231 PolarHBondContact O-N 3.43Å; V229-R325 HydrophobicContact CG1-CG 4.26Å; V229-R332 VanDerWaalsContact CG2-NH2 3.33Å
230V92.8Very high88.5Confident0 Ų067.2 Ų67.20%035%0.345CS..BIsolated β-bridgetrans-59.2126.7177.2178.20000110.5S223 V224 L232 P321 R324 R325S223-V230 CarbonylContact O-C 3.53Å; S223-V230 WeakPolarHBondContact O-CA 3.31Å; V224-V230 HydrophobicContact CG1-CG2 4.38Å; V230-L232 HydrophobicContact CG1-CD2 4.38Å; V230-P321 HydrophobicContact CG1-CB 3.95Å; V230-R324 HydrophobicContact CG2-CB 4.34Å; V230-R324 HydrophobicContact CG2-CG 3.99Å; V230-R325 HydrophobicContact CB-CB 4.26Å; V230-R325 WeakPolarHBondContact O-CD 3.36Å; V230-R325 PolarHBondContact O-NH1 3.4Å
231I91.5Very high88.3Confident82 Ų8274.1 Ų74.142%0.42138%0.377SS..PPolyproline II helixtrans-92.7127.2176-60.3171.2000107.6H219 S223 V229H219-I231 PolarHBondContact CE1-O 2.82Å; H219-I231 PolarHBondContact NE2-O 3.32Å; S223-I231 PolarHBondContact O-N 2.94Å; V229-I231 PolarHBondContact O-N 3.43Å
232L90Very high88.3Confident27 Ų2780 Ų8014%0.14140%0.398CS..PPolyproline II helixtrans-90.7134177.4-57.7176.5000110.1V230 D234 K237 P321 E322V230-L232 HydrophobicContact CG1-CD2 4.38Å; L232-D234 VanDerWaalsContact C-N 3.34Å; L232-K237 HydrophobicContact CD1-CB 4.34Å; L232-P321 HydrophobicContact CD2-CB 3.88Å; L232-E322 HydrophobicContact CD1-CB 4.44Å; L232-E322 HydrophobicContact CD2-CB 4.39Å
233D84.4Confident88.4Confident137 Ų13774.6 Ų74.673%0.73338%0.377SS*.SBendtrans-66.7-39.3172.7-63-33.4000111.3H219H219-D233 IonicContact CD2-OD2 3.97Å; H219-D233 IonicContact NE2-OD2 2.76Å
234D85.5Confident88.3Confident73 Ų7374.2 Ų74.239%0.3937%0.372SS..  trans-96.7109.3178.1-177.51.8000111.2L232 S236 K237L232-D234 VanDerWaalsContact C-N 3.34Å; D234-S236 PolarHBondContact O-N 3.35Å; D234-S236 VanDerWaalsContact OD1-CB 3.29Å; D234-S236 WeakPolarHBondContact OD1-CB 3.23Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.26Å; D234-S236 PolarHBondContact OD2-OG 2.97Å; D234-K237 HydrophobicContact CB-CD 4.11Å; D234-K237 HydrophobicContact CB-CG 4.34Å; D234-K237 PolarHBondContact O-N 3.26Å
235K81.9Confident88.3Confident175 Ų17573.8 Ų73.876%0.76137%0.371SS*.G310 helixtrans-66.9-20.7178.8-64.5-175.8179.4179.10113.5K237 E238K235-K237 PolarHBondContact O-N 3.15Å; K235-E238 VanDerWaalsContact O-CB 3.31Å; K235-E238 WeakPolarHBondContact O-CB 3.48Å; K235-E238 PolarHBondContact O-N 3.32Å
236S82.6Confident88.4Confident97 Ų9773.2 Ų73.268%0.67837%0.368SS*.G310 helixtrans-69.4-23.7179.3740000112.8D234 E238D234-S236 PolarHBondContact O-N 3.35Å; D234-S236 VanDerWaalsContact OD1-CB 3.29Å; D234-S236 WeakPolarHBondContact OD1-CB 3.23Å; D234-S236 PolarHBondContact OD1-N 2.89Å; D234-S236 PolarHBondContact OD1-OG 3.26Å; D234-S236 PolarHBondContact OD2-OG 2.97Å; S236-E238 VanDerWaalsContact C-N 3.31Å
237K83.6Confident88.9Confident96 Ų9663.6 Ų63.642%0.41733%0.326SS..G310 helixtrans-86.2-2.9178.3-64.1178.2160.9-148.10113.5L232 D234 K235 E322L232-K237 HydrophobicContact CD1-CB 4.34Å; D234-K237 HydrophobicContact CB-CD 4.11Å; D234-K237 HydrophobicContact CB-CG 4.34Å; D234-K237 PolarHBondContact O-N 3.26Å; K235-K237 PolarHBondContact O-N 3.15Å; K237-E322 VanDerWaalsContact CD-OE2 3.32Å; K237-E322 WeakPolarHBondContact CD-OE2 3.4Å; K237-E322 IonicContact NZ-OE2 3.05Å; K237-E322 PolarHBondContact NZ-OE2 2.79Å
238E86Confident89.2Confident64 Ų6462.7 Ų62.730%0.29932%0.32SS..SBendtrans-69.8157.6176.5-166.5161.4-15700111.2K235 S236 L244 R325K235-E238 VanDerWaalsContact O-CB 3.31Å; K235-E238 WeakPolarHBondContact O-CB 3.48Å; K235-E238 PolarHBondContact O-N 3.32Å; S236-E238 VanDerWaalsContact C-N 3.31Å; E238-L244 HydrophobicContact CG-CD1 4.25Å; E238-R325 IonicContact OE1-CZ 2.64Å; E238-R325 IonicContact OE1-NE 3.95Å; E238-R325 PolarHBondContact OE1-NE 2.95Å; E238-R325 IonicContact OE1-NH2 3.7Å; E238-R325 PolarHBondContact OE1-NH2 3.15Å
239L89.6Confident89.5Confident8 Ų861.5 Ų61.54%0.04231%0.308CS..PPolyproline II helixtrans-57.2139.2172-75.9172000109.7H241 V243 L244 M247 Y278 K326 L329L239-H241 PolarHBondContact O-N 2.87Å; L239-V243 HydrophobicContact CD2-CG1 4.42Å; L239-L244 HydrophobicContact CB-CD1 4.27Å; L239-L244 HydrophobicContact CB-CD2 3.84Å; L239-L244 HydrophobicContact CB-CG 3.75Å; L239-L244 HydrophobicContact CD1-CD2 3.8Å; L239-L244 HydrophobicContact CG-CD2 4.44Å; L239-M247 HydrophobicContact CD1-SD 4.05Å; L239-Y278 HydrophobicContact CD2-CE1 3.45Å; L239-Y278 VanDerWaalsContact CD2-CE1 3.45Å; L239-Y278 WeakPolarHBondContact CD2-OH 3.26Å; L239-K326 HydrophobicContact CD1-CG 4.31Å; L239-K326 HydrophobicContact CD2-CD 4.16Å; L239-K326 HydrophobicContact CD2-CG 3.79Å; L239-K326 HydrophobicContact CG-CG 3.89Å; L239-L329 HydrophobicContact CD1-CD1 3.84Å
240P92.7Very high89.5Confident47 Ų4761 Ų6131%0.30531%0.305SS..PPolyproline II helixtrans-51.6139.8174.4-25.232.8000110.9W242 V243 L244 Y278P240-W242 HydrophobicContact CB-CG 4.28Å; P240-W242 VanDerWaalsContact CB-NE1 3.3Å; P240-W242 PolarHBondContact O-N 2.99Å; P240-W242 VanDerWaalsContact O-N 3.11Å; P240-V243 HydrophobicContact CB-CG2 4.07Å; P240-V243 HydrophobicContact CG-CG2 4.13Å; P240-V243 WeakPolarHBondContact O-CB 3.33Å; P240-V243 PolarHBondContact O-N 3.48Å; P240-L244 PolarHBondContact O-N 2.79Å; P240-L244 VanDerWaalsContact O-N 3.15Å; P240-Y278 HydrophobicContact CG-CE2 4.05Å
241H90.4Very high89.4Confident145 Ų14561.8 Ų61.867%0.67131%0.312SS*.Hα-helixtrans-52-40.7-175.9-179.6-87.4000112.4L239 V243 L244 S245L239-H241 PolarHBondContact O-N 2.87Å; H241-V243 VanDerWaalsContact C-N 3.33Å; H241-V243 PolarHBondContact O-N 3.32Å; H241-L244 PolarHBondContact O-N 3.34Å; H241-S245 PolarHBondContact CE1-OG 3.19Å; H241-S245 VanDerWaalsContact CE1-OG 3.27Å; H241-S245 PolarHBondContact O-N 3.06Å; H241-S245 PolarHBondContact O-OG 3.16Å
242W92.1Very high89.2Confident129 Ų12962.1 Ų62.149%0.48932%0.315SS..Hα-helixtrans-61.8-37.5178.367.9-101.5000112.8P240 A246 T274 Y278P240-W242 HydrophobicContact CB-CG 4.28Å; P240-W242 VanDerWaalsContact CB-NE1 3.3Å; P240-W242 PolarHBondContact O-N 2.99Å; P240-W242 VanDerWaalsContact O-N 3.11Å; W242-A246 VanDerWaalsContact O-CB 3.29Å; W242-A246 WeakPolarHBondContact O-CB 3.29Å; W242-A246 PolarHBondContact O-N 2.95Å; W242-T274 HydrophobicContact CE3-CG2 4.32Å; W242-T274 HydrophobicContact CH2-CG2 4.25Å; W242-T274 HydrophobicContact CZ3-CG2 3.61Å; W242-Y278 AromaticContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CG 4.16Å; W242-Y278 AromaticContact CZ2-CD2 3.9Å; W242-Y278 HydrophobicContact CZ2-CD2 3.9Å
243V94.6Very high89.1Confident0 Ų062.2 Ų62.20%031%0.313CS..Hα-helixtrans-66.1-46.6175.9-178.30000109.1L239 P240 H241 S245 A246 M247 Y278L239-V243 HydrophobicContact CD2-CG1 4.42Å; P240-V243 HydrophobicContact CB-CG2 4.07Å; P240-V243 HydrophobicContact CG-CG2 4.13Å; P240-V243 WeakPolarHBondContact O-CB 3.33Å; P240-V243 PolarHBondContact O-N 3.48Å; H241-V243 VanDerWaalsContact C-N 3.33Å; H241-V243 PolarHBondContact O-N 3.32Å; V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 3.44Å; V243-A246 PolarHBondContact O-N 2.94Å; V243-M247 HydrophobicContact CG1-CG 4.14Å; V243-M247 HydrophobicContact CG1-SD 3.88Å; V243-M247 WeakPolarHBondContact O-CB 3.39Å; V243-M247 VanDerWaalsContact O-CG 3.23Å; V243-M247 WeakPolarHBondContact O-CG 2.97Å; V243-M247 PolarHBondContact O-N 3.37Å; V243-Y278 HydrophobicContact CG1-CD1 4.02Å; V243-Y278 HydrophobicContact CG1-CE1 4.3Å; V243-Y278 HydrophobicContact CG1-CG 4.43Å; V243-Y278 HydrophobicContact CG2-CD1 4.08Å; V243-Y278 HydrophobicContact CG2-CD2 3.74Å; V243-Y278 HydrophobicContact CG2-CE1 4.32Å; V243-Y278 HydrophobicContact CG2-CE2 3.99Å; V243-Y278 HydrophobicContact CG2-CG 3.79Å
244L92.3Very high88.9Confident27 Ų2757.5 Ų57.514%0.14129%0.29CS..Hα-helixtrans-60.6-43.7179.2-71.1174.2000112E238 L239 P240 H241 K248 L329E238-L244 HydrophobicContact CG-CD1 4.25Å; L239-L244 HydrophobicContact CB-CD1 4.27Å; L239-L244 HydrophobicContact CB-CD2 3.84Å; L239-L244 HydrophobicContact CB-CG 3.75Å; L239-L244 HydrophobicContact CD1-CD2 3.8Å; L239-L244 HydrophobicContact CG-CD2 4.44Å; P240-L244 PolarHBondContact O-N 2.79Å; P240-L244 VanDerWaalsContact O-N 3.15Å; H241-L244 PolarHBondContact O-N 3.34Å; L244-K248 WeakPolarHBondContact O-CB 3.42Å; L244-K248 VanDerWaalsContact O-CG 3.23Å; L244-K248 WeakPolarHBondContact O-CG 3.4Å; L244-K248 PolarHBondContact O-N 3.47Å; L244-L329 HydrophobicContact CD2-CD1 3.7Å
245S90.6Very high88.4Confident34 Ų3459.8 Ų59.824%0.23830%0.302CS..Hα-helixtrans-63.3-44.2175.2-66.70000111.8H241 V243 K248 C249H241-S245 PolarHBondContact CE1-OG 3.19Å; H241-S245 VanDerWaalsContact CE1-OG 3.27Å; H241-S245 PolarHBondContact O-N 3.06Å; H241-S245 PolarHBondContact O-OG 3.16Å; V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 3.44Å; S245-K248 PolarHBondContact O-N 2.95Å; S245-C249 WeakPolarHBondContact O-CB 3.32Å; S245-C249 PolarHBondContact O-N 3.47Å
246A92.3Very high87.5Confident16 Ų1652.7 Ų52.713%0.13227%0.274CS..Hα-helixtrans-60-48.4176.200000111.8W242 V243 K248 C249 L250 V271 I275W242-A246 VanDerWaalsContact O-CB 3.29Å; W242-A246 WeakPolarHBondContact O-CB 3.29Å; W242-A246 PolarHBondContact O-N 2.95Å; V243-A246 PolarHBondContact O-N 2.94Å; A246-K248 PolarHBondContact O-N 2.93Å; A246-C249 WeakPolarHBondContact O-CB 3.43Å; A246-C249 PolarHBondContact O-N 3.37Å; A246-C249 VanDerWaalsContact O-N 3.14Å; A246-L250 PolarHBondContact O-N 3.15Å; A246-V271 HydrophobicContact CB-CG1 3.83Å; A246-I275 HydrophobicContact CB-CD1 3.86Å; A246-I275 HydrophobicContact CB-CG1 3.78Å
247M94.4Very high86.3Confident10 Ų1053.5 Ų53.55%0.04928%0.28CS..Hα-helixtrans-61.4-44.1177.5-67.3179.675.400111.9L239 V243 C249 A251 I275 Y279 L329 L330 M333L239-M247 HydrophobicContact CD1-SD 4.05Å; V243-M247 HydrophobicContact CG1-CG 4.14Å; V243-M247 HydrophobicContact CG1-SD 3.88Å; V243-M247 WeakPolarHBondContact O-CB 3.39Å; V243-M247 VanDerWaalsContact O-CG 3.23Å; V243-M247 WeakPolarHBondContact O-CG 2.97Å; V243-M247 PolarHBondContact O-N 3.37Å; M247-C249 VanDerWaalsContact C-N 3.26Å; M247-C249 PolarHBondContact O-N 3.02Å; M247-A251 VanDerWaalsContact O-CB 3.25Å; M247-A251 WeakPolarHBondContact O-CB 3.4Å; M247-A251 PolarHBondContact O-N 3.08Å; M247-I275 HydrophobicContact CG-CD1 4.07Å; M247-I275 HydrophobicContact CG-CG1 4.33Å; M247-I275 HydrophobicContact CG-CG2 4.24Å; M247-Y279 HydrophobicContact SD-CE2 4.27Å; M247-L329 VanDerWaalsContact CE-C 3.48Å; M247-L329 HydrophobicContact CE-CB 4.07Å; M247-L329 WeakPolarHBondContact CE-O 3.39Å; M247-L330 HydrophobicContact CE-CB 4.32Å; M247-L330 HydrophobicContact CE-CD1 4.39Å; M247-M333 HydrophobicContact CB-CG 4.32Å; M247-M333 HydrophobicContact CB-SD 3.76Å; M247-M333 HydrophobicContact CE-CB 3.89Å; M247-M333 HydrophobicContact CE-CG 4.45Å; M247-M333 HydrophobicContact CE-SD 3.87Å; M247-M333 HydrophobicContact CG-SD 3.58Å; M247-M333 VanDerWaalsContact CG-SD 3.58Å
248K91.5Very high85.1Confident112 Ų11254.5 Ų54.549%0.48729%0.29SS..Hα-helixtrans-61.3-37.3175-76.8173.5-177.3178.40111.8L244 S245 A246 A251 N252L244-K248 WeakPolarHBondContact O-CB 3.42Å; L244-K248 VanDerWaalsContact O-CG 3.23Å; L244-K248 WeakPolarHBondContact O-CG 3.4Å; L244-K248 PolarHBondContact O-N 3.47Å; S245-K248 PolarHBondContact O-N 2.95Å; A246-K248 PolarHBondContact O-N 2.93Å; K248-A251 PolarHBondContact O-N 3.26Å; K248-N252 WeakPolarHBondContact O-CB 3.1Å; K248-N252 PolarHBondContact O-N 3.48Å; K248-N252 VanDerWaalsContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.08Å
249C89.6Confident83.8Confident1 Ų154.9 Ų54.91%0.00729%0.294CS..Hα-helixtrans-64.4-47.8-178.7-155.50000112.1S245 A246 M247 W253 C256S245-C249 WeakPolarHBondContact O-CB 3.32Å; S245-C249 PolarHBondContact O-N 3.47Å; A246-C249 WeakPolarHBondContact O-CB 3.43Å; A246-C249 PolarHBondContact O-N 3.37Å; A246-C249 VanDerWaalsContact O-N 3.14Å; M247-C249 VanDerWaalsContact C-N 3.26Å; M247-C249 PolarHBondContact O-N 3.02Å; C249-W253 PolarHBondContact O-N 3.33Å; C249-C256 WeakPolarHBondContact CA-SG 3.44Å; C249-C256 HydrophobicContact CB-CB 4.34Å; C249-C256 WeakPolarHBondContact CB-SG 3.42Å; C249-C256 WeakPolarHBondContact SG-CB 3.34Å; C249-C256 CovalentContact SG-SG 2.06Å; C249-C256 PolarHBondContact SG-SG 3.05Å
250L90.8Very high82.2Confident0 Ų064.6 Ų64.60%034%0.335CS..Hα-helixtrans-68.9-38.8176.6-62.3-177.1000112.2A246 N252 W253 E268 V271 F272 I275 I337 M343A246-L250 PolarHBondContact O-N 3.15Å; L250-N252 VanDerWaalsContact C-N 3.27Å; L250-N252 PolarHBondContact O-N 3.42Å; L250-W253 PolarHBondContact O-N 2.92Å; L250-E268 HydrophobicContact CD2-CB 4.28Å; L250-V271 HydrophobicContact CD1-CG1 4.03Å; L250-V271 HydrophobicContact CD2-CB 4.15Å; L250-V271 HydrophobicContact CD2-CG1 3.93Å; L250-V271 HydrophobicContact CG-CB 4.45Å; L250-V271 HydrophobicContact CG-CG1 3.73Å; L250-F272 HydrophobicContact CD1-CB 3.9Å; L250-F272 HydrophobicContact CD1-CD2 4.22Å; L250-I275 HydrophobicContact CD1-CD1 3.59Å; L250-I275 HydrophobicContact CG-CD1 4.32Å; L250-I337 HydrophobicContact CB-CD1 3.69Å; L250-I337 HydrophobicContact CB-CG1 4.08Å; L250-I337 HydrophobicContact CD1-CD1 4.15Å; L250-M343 HydrophobicContact CD2-CE 4.17Å
251A90.8Very high80.4Confident18 Ų1869 Ų6915%0.14935%0.352CS..Hα-helixtrans-66.5-27.4-178.600000113.6M247 K248 M333 R336M247-A251 VanDerWaalsContact O-CB 3.25Å; M247-A251 WeakPolarHBondContact O-CB 3.4Å; M247-A251 PolarHBondContact O-N 3.08Å; K248-A251 PolarHBondContact O-N 3.26Å; A251-M333 HydrophobicContact CB-CG 4.43Å; A251-R336 HydrophobicContact CB-CB 4.01Å; A251-R336 HydrophobicContact CB-CG 4.43Å
252N88.4Confident78.6Confident89 Ų8968 Ų6848%0.47636%0.358SS..THydrogen-bonded Turntrans-111.819.1-178.9-62.2-34.6000112.9K248 L250 N255K248-N252 WeakPolarHBondContact O-CB 3.1Å; K248-N252 PolarHBondContact O-N 3.48Å; K248-N252 VanDerWaalsContact O-N 3.1Å; K248-N252 PolarHBondContact O-ND2 3.08Å; L250-N252 VanDerWaalsContact C-N 3.27Å; L250-N252 PolarHBondContact O-N 3.42Å; N252-N255 CarbonylContact O-C 3.52Å; N252-N255 PolarHBondContact O-N 2.87Å
253W87.2Confident77.3Confident28 Ų2866.3 Ų66.311%0.10636%0.357CS..THydrogen-bonded Turntrans-54.1138.9-179.6-175.2-89.6000112C249 L250 M263 F267 E268 N340 E342 M343 P344C249-W253 PolarHBondContact O-N 3.33Å; L250-W253 PolarHBondContact O-N 2.92Å; W253-M263 HydrophobicContact CE3-SD 4.38Å; W253-M263 HydrophobicContact CH2-CE 4.33Å; W253-M263 HydrophobicContact CH2-SD 3.48Å; W253-M263 WeakPolarHBondContact CH2-SD 3.49Å; W253-M263 HydrophobicContact CZ2-SD 4.23Å; W253-M263 HydrophobicContact CZ3-SD 3.57Å; W253-M263 VanDerWaalsContact CZ3-SD 3.57Å; W253-F267 HydrophobicContact CH2-CD1 4.37Å; W253-F267 AromaticContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CE1 4.39Å; W253-E268 HydrophobicContact CH2-CB 4.08Å; W253-E268 HydrophobicContact CZ3-CB 4.09Å; W253-N340 PolarHBondContact O-ND2 3.47Å; W253-E342 PolarHBondContact NE1-O 2.63Å; W253-M343 HydrophobicContact CB-SD 3.78Å; W253-M343 HydrophobicContact CD2-CE 4.43Å; W253-M343 HydrophobicContact CD2-SD 4.35Å; W253-M343 HydrophobicContact CG-CE 4.44Å; W253-M343 HydrophobicContact CG-SD 3.77Å; W253-P344 HydrophobicContact CZ2-CG 4.22Å; W253-P344 VanDerWaalsContact NE1-CD 3.27Å
254P80.1Confident76.7Confident39 Ų3972.6 Ų72.625%0.25338%0.382SS..THydrogen-bonded Turncis-88.1-2.6-2.234.1-34.7000114.2C256 M263P254-C256 VanDerWaalsContact C-N 3.27Å; P254-C256 PolarHBondContact O-N 3.32Å; P254-M263 HydrophobicContact CB-CE 4.45Å
255N73.9Confident76Confident121 Ų12179.8 Ų79.865%0.64742%0.419SS*.  trans-83.363.8-170.9-69.5-28.3000112.6N252 S257N252-N255 CarbonylContact O-C 3.52Å; N252-N255 PolarHBondContact O-N 2.87Å; N255-S257 PolarHBondContact O-N 3.15Å
256C64.9Low75.7Confident25 Ų2579.1 Ų79.117%0.16942%0.418CS..  trans-78.487.5179.1-159.80000110.3C249 P254 D258 L259C249-C256 WeakPolarHBondContact CA-SG 3.44Å; C249-C256 HydrophobicContact CB-CB 4.34Å; C249-C256 WeakPolarHBondContact CB-SG 3.42Å; C249-C256 WeakPolarHBondContact SG-CB 3.34Å; C249-C256 CovalentContact SG-SG 2.06Å; C249-C256 PolarHBondContact SG-SG 3.05Å; P254-C256 VanDerWaalsContact C-N 3.27Å; P254-C256 PolarHBondContact O-N 3.32Å; C256-D258 PolarHBondContact O-N 3.36Å; C256-L259 PolarHBondContact O-N 3.44Å
257S56.2Low75.5Confident114 Ų11479.8 Ų79.880%0.79742%0.418SS*.THydrogen-bonded Turntrans-58.6-23-170.8-46.40000115.2N255N255-S257 PolarHBondContact O-N 3.15Å
258D57.8Low75.3Confident118 Ų11880.3 Ų80.363%0.63142%0.42SS*.THydrogen-bonded Turntrans-90-15.3-175.6-68-28.3000113.6C256C256-D258 PolarHBondContact O-N 3.36Å
259L58.9Low75.3Confident72 Ų7277.9 Ų77.938%0.37741%0.41SS..  trans-108.193.3-177.6-71.2172.2000110.1C256 Q261 F267C256-L259 PolarHBondContact O-N 3.44Å; L259-Q261 PolarHBondContact O-N 2.88Å; L259-F267 HydrophobicContact CD1-CE1 4.27Å; L259-F267 HydrophobicContact CD1-CZ 3.7Å
260K55.5Low75.4Confident211 Ų21181.5 Ų81.592%0.91743%0.429SS*.  trans-69.410.7167.3-63.8-175.9179.5-179.10113.3
261Q55.1Low75.5Confident141 Ų14182.1 Ų82.166%0.65943%0.433SS*.SBendtrans-90.8141.8-176.8-77.2179.7-19.900110.7L259 M263L259-Q261 PolarHBondContact O-N 2.88Å; Q261-M263 PolarHBondContact O-N 3.16Å
262P52.8Low75.6Confident123 Ų12382 Ų8280%0.79943%0.429SS*.  trans-62.5122.8173.124.9-30.6000109.5Y264P262-Y264 PolarHBondContact O-N 2.92Å
263M66.1Low75.9Confident94 Ų9483.7 Ų83.746%0.46343%0.432SS..  trans-69.7115.5174-62.2-177.6-65.500108.2W253 P254 Q261 F267W253-M263 HydrophobicContact CE3-SD 4.38Å; W253-M263 HydrophobicContact CH2-CE 4.33Å; W253-M263 HydrophobicContact CH2-SD 3.48Å; W253-M263 WeakPolarHBondContact CH2-SD 3.49Å; W253-M263 HydrophobicContact CZ2-SD 4.23Å; W253-M263 HydrophobicContact CZ3-SD 3.57Å; W253-M263 VanDerWaalsContact CZ3-SD 3.57Å; P254-M263 HydrophobicContact CB-CE 4.45Å; Q261-M263 PolarHBondContact O-N 3.16Å; M263-F267 HydrophobicContact CB-CD1 4.46Å; M263-F267 HydrophobicContact CG-CD1 4.17Å
264Y80.8Confident76.3Confident132 Ų13285.5 Ų85.552%0.51845%0.446SS..  trans-78162.8170.260.1-91.1000110.3P262 G266 F267 D270P262-Y264 PolarHBondContact O-N 2.92Å; Y264-G266 PolarHBondContact O-N 2.98Å; Y264-F267 HydrophobicContact CD1-CB 4.34Å; Y264-F267 HydrophobicContact CD1-CD2 4.4Å; Y264-F267 HydrophobicContact CD2-CB 4.26Å; Y264-F267 HydrophobicContact CE1-CB 4.16Å; Y264-F267 AromaticContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CG 4.37Å; Y264-F267 HydrophobicContact CE2-CB 4.06Å; Y264-F267 HydrophobicContact CG-CB 4.38Å; Y264-F267 AromaticContact CZ-CD2 3.86Å; Y264-F267 VanDerWaalsContact O-CB 3.28Å; Y264-F267 WeakPolarHBondContact O-CB 3.5Å; Y264-F267 PolarHBondContact O-N 3.44Å; Y264-D270 PolarHBondContact OH-OD2 3.07Å
265L78.8Confident77Confident177 Ų17783.6 Ų83.693%0.92743%0.434SS*.THydrogen-bonded Turntrans-62.5123.6179.3-67.8168.7000110.8
266G84Confident78.1Confident21 Ų2178.7 Ų78.722%0.21641%0.41CS..THydrogen-bonded Turntrans89.91.7-18000000114.8Y264 E268 K269 D270Y264-G266 PolarHBondContact O-N 2.98Å; G266-E268 WeakPolarHBondContact CA-OE2 3.37Å; G266-E268 PolarHBondContact O-N 2.91Å; G266-K269 WeakPolarHBondContact O-CB 3.4Å; G266-K269 PolarHBondContact O-N 2.78Å; G266-D270 PolarHBondContact O-N 3.28Å
267F88.4Confident79.5Confident30 Ų3081.1 Ų81.113%0.13242%0.422CS..Hα-helixtrans-50.9-39.7175.9171.2-104.9000112.6W253 L259 M263 Y264 K269 D270 V271W253-F267 HydrophobicContact CH2-CD1 4.37Å; W253-F267 AromaticContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CD1 3.99Å; W253-F267 HydrophobicContact CZ3-CE1 4.39Å; L259-F267 HydrophobicContact CD1-CE1 4.27Å; L259-F267 HydrophobicContact CD1-CZ 3.7Å; M263-F267 HydrophobicContact CB-CD1 4.46Å; M263-F267 HydrophobicContact CG-CD1 4.17Å; Y264-F267 HydrophobicContact CD1-CB 4.34Å; Y264-F267 HydrophobicContact CD1-CD2 4.4Å; Y264-F267 HydrophobicContact CD2-CB 4.26Å; Y264-F267 HydrophobicContact CE1-CB 4.16Å; Y264-F267 AromaticContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CD2 3.68Å; Y264-F267 HydrophobicContact CE1-CG 4.37Å; Y264-F267 HydrophobicContact CE2-CB 4.06Å; Y264-F267 HydrophobicContact CG-CB 4.38Å; Y264-F267 AromaticContact CZ-CD2 3.86Å; Y264-F267 VanDerWaalsContact O-CB 3.28Å; Y264-F267 WeakPolarHBondContact O-CB 3.5Å; Y264-F267 PolarHBondContact O-N 3.44Å; F267-K269 VanDerWaalsContact C-N 3.29Å; F267-K269 PolarHBondContact O-N 2.97Å; F267-D270 PolarHBondContact O-N 2.99Å; F267-V271 HydrophobicContact CD1-CG2 4.2Å; F267-V271 HydrophobicContact CD2-CG2 4.08Å; F267-V271 HydrophobicContact CE1-CG2 3.73Å; F267-V271 HydrophobicContact CE2-CG2 3.61Å; F267-V271 HydrophobicContact CG-CG2 4.36Å; F267-V271 HydrophobicContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact O-CG2 3.28Å; F267-V271 WeakPolarHBondContact O-CG2 3.46Å; F267-V271 PolarHBondContact O-N 3.46Å
268E89.7Confident81.4Confident21 Ų2177.9 Ų77.910%0.09839%0.392CS..Hα-helixtrans-61-36.1177.371.6-76.8176.100113.4L250 W253 G266 F272 M343 P344 L346L250-E268 HydrophobicContact CD2-CB 4.28Å; W253-E268 HydrophobicContact CH2-CB 4.08Å; W253-E268 HydrophobicContact CZ3-CB 4.09Å; G266-E268 WeakPolarHBondContact CA-OE2 3.37Å; G266-E268 PolarHBondContact O-N 2.91Å; E268-F272 VanDerWaalsContact O-CB 3.27Å; E268-F272 WeakPolarHBondContact O-CB 3.26Å; E268-F272 PolarHBondContact O-N 3.31Å; E268-M343 HydrophobicContact CB-CE 3.67Å; E268-M343 HydrophobicContact CG-CE 4.01Å; E268-P344 HydrophobicContact CG-CG 3.81Å; E268-L346 HydrophobicContact CB-CD2 4.02Å; E268-L346 HydrophobicContact CG-CD2 3.8Å
269K91.6Very high83.2Confident61 Ų6172.4 Ų72.427%0.26536%0.363SS..Hα-helixtrans-71.2-40.9-177.9-62.9-172.2173.7-179.30109.1G266 F267 F272 K273 P345 D348G266-K269 WeakPolarHBondContact O-CB 3.4Å; G266-K269 PolarHBondContact O-N 2.78Å; F267-K269 VanDerWaalsContact C-N 3.29Å; F267-K269 PolarHBondContact O-N 2.97Å; K269-F272 PolarHBondContact O-N 3.46Å; K269-K273 VanDerWaalsContact O-CB 3.28Å; K269-K273 WeakPolarHBondContact O-CB 3.33Å; K269-K273 PolarHBondContact O-N 2.88Å; K269-P345 WeakPolarHBondContact CE-O 3.29Å; K269-D348 IonicContact NZ-OD1 2.79Å; K269-D348 PolarHBondContact NZ-OD1 3.44Å; K269-D348 VanDerWaalsContact NZ-OD1 3.11Å; K269-D348 IonicContact NZ-OD2 3.92Å; K269-D348 PolarHBondContact NZ-OD2 3.42Å
270D91.5Very high84.8Confident76 Ų7671.9 Ų71.941%0.40638%0.375SS..Hα-helixtrans-68.3-42.6177.2-68.5-26.2000111.9Y264 G266 F267 K273 T274Y264-D270 PolarHBondContact OH-OD2 3.07Å; G266-D270 PolarHBondContact O-N 3.28Å; F267-D270 PolarHBondContact O-N 2.99Å; D270-K273 PolarHBondContact O-N 3.38Å; D270-T274 WeakPolarHBondContact O-CB 3.39Å; D270-T274 PolarHBondContact O-N 3Å; D270-T274 PolarHBondContact O-OG1 3.1Å
271V92.2Very high86.5Confident14 Ų1469 Ų699%0.08537%0.365CS..Hα-helixtrans-62.1-45.7174.4175.20000110.5A246 L250 F267 T274 I275A246-V271 HydrophobicContact CB-CG1 3.83Å; L250-V271 HydrophobicContact CD1-CG1 4.03Å; L250-V271 HydrophobicContact CD2-CB 4.15Å; L250-V271 HydrophobicContact CD2-CG1 3.93Å; L250-V271 HydrophobicContact CG-CB 4.45Å; L250-V271 HydrophobicContact CG-CG1 3.73Å; F267-V271 HydrophobicContact CD1-CG2 4.2Å; F267-V271 HydrophobicContact CD2-CG2 4.08Å; F267-V271 HydrophobicContact CE1-CG2 3.73Å; F267-V271 HydrophobicContact CE2-CG2 3.61Å; F267-V271 HydrophobicContact CG-CG2 4.36Å; F267-V271 HydrophobicContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact CZ-CG2 3.41Å; F267-V271 VanDerWaalsContact O-CG2 3.28Å; F267-V271 WeakPolarHBondContact O-CG2 3.46Å; F267-V271 PolarHBondContact O-N 3.46Å; V271-T274 PolarHBondContact O-N 3.33Å; V271-I275 HydrophobicContact CG1-CD1 4.13Å; V271-I275 WeakPolarHBondContact O-CG1 3.49Å; V271-I275 PolarHBondContact O-N 3.47Å; V271-I275 VanDerWaalsContact O-N 3.1Å
272F94.3Very high88.2Confident14 Ų1464.6 Ų64.66%0.06135%0.345CS..Hα-helixtrans-60.3-46.8176.4176.7-102.8000111.7L250 E268 K269 T274 I275 A276 L346 L355 M356 T359 F360L250-F272 HydrophobicContact CD1-CB 3.9Å; L250-F272 HydrophobicContact CD1-CD2 4.22Å; E268-F272 VanDerWaalsContact O-CB 3.27Å; E268-F272 WeakPolarHBondContact O-CB 3.26Å; E268-F272 PolarHBondContact O-N 3.31Å; K269-F272 PolarHBondContact O-N 3.46Å; F272-T274 VanDerWaalsContact C-N 3.32Å; F272-T274 PolarHBondContact O-N 3.04Å; F272-I275 PolarHBondContact O-N 2.94Å; F272-A276 WeakPolarHBondContact O-CB 3.42Å; F272-A276 PolarHBondContact O-N 3.21Å; F272-L346 HydrophobicContact CB-CD1 4.34Å; F272-L346 HydrophobicContact CB-CD2 3.93Å; F272-L346 HydrophobicContact CD2-CD1 3.81Å; F272-L346 HydrophobicContact CE2-CD1 4.26Å; F272-L346 HydrophobicContact CG-CD1 3.97Å; F272-L346 HydrophobicContact CG-CD2 4.36Å; F272-L355 HydrophobicContact CD1-CD2 4.45Å; F272-L355 HydrophobicContact CE1-CD1 4.32Å; F272-L355 HydrophobicContact CE1-CD2 3.8Å; F272-L355 HydrophobicContact CE1-CG 4Å; F272-L355 HydrophobicContact CZ-CD2 4.01Å; F272-L355 HydrophobicContact CZ-CG 3.95Å; F272-M356 HydrophobicContact CD2-CE 3.84Å; F272-M356 HydrophobicContact CE2-CE 3.33Å; F272-M356 HydrophobicContact CE2-SD 3.82Å; F272-M356 HydrophobicContact CZ-CE 4.09Å; F272-T359 HydrophobicContact CE1-CG2 4.34Å; F272-T359 HydrophobicContact CZ-CG2 3.9Å; F272-F360 AromaticContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CZ 4.1Å; F272-F360 HydrophobicContact CZ-CE2 4.36Å
273K94.2Very high89.9Confident125 Ų12568.7 Ų68.754%0.54335%0.35SS..Hα-helixtrans-59.1-42.8177-175.2176.6179-178.70111.7K269 D270 I275 A276 D277K269-K273 VanDerWaalsContact O-CB 3.28Å; K269-K273 WeakPolarHBondContact O-CB 3.33Å; K269-K273 PolarHBondContact O-N 2.88Å; D270-K273 PolarHBondContact O-N 3.38Å; K273-I275 VanDerWaalsContact C-N 3.3Å; K273-I275 PolarHBondContact O-N 3.47Å; K273-A276 WeakPolarHBondContact O-CB 3.41Å; K273-A276 PolarHBondContact O-N 3.42Å; K273-D277 WeakPolarHBondContact O-CB 3.1Å; K273-D277 PolarHBondContact O-N 2.93Å
274T94.8Very high91Very high66 Ų6667.8 Ų67.841%0.40535%0.345SS..Hα-helixtrans-61.9-39.1178.2-49.20000111.8W242 D270 V271 F272 Y278W242-T274 HydrophobicContact CE3-CG2 4.32Å; W242-T274 HydrophobicContact CH2-CG2 4.25Å; W242-T274 HydrophobicContact CZ3-CG2 3.61Å; D270-T274 WeakPolarHBondContact O-CB 3.39Å; D270-T274 PolarHBondContact O-N 3Å; D270-T274 PolarHBondContact O-OG1 3.1Å; V271-T274 PolarHBondContact O-N 3.33Å; F272-T274 VanDerWaalsContact C-N 3.32Å; F272-T274 PolarHBondContact O-N 3.04Å; T274-Y278 PolarHBondContact O-N 2.79Å; T274-Y278 VanDerWaalsContact O-N 3.09Å
275I95.9Very high91.6Very high0 Ų061.7 Ų61.70%032%0.321CS..Hα-helixtrans-68.9-44.7174.8-62.7162.4000110.5A246 M247 L250 V271 F272 K273 D277 Y278 Y279 M333 F360A246-I275 HydrophobicContact CB-CD1 3.86Å; A246-I275 HydrophobicContact CB-CG1 3.78Å; M247-I275 HydrophobicContact CG-CD1 4.07Å; M247-I275 HydrophobicContact CG-CG1 4.33Å; M247-I275 HydrophobicContact CG-CG2 4.24Å; L250-I275 HydrophobicContact CD1-CD1 3.59Å; L250-I275 HydrophobicContact CG-CD1 4.32Å; V271-I275 HydrophobicContact CG1-CD1 4.13Å; V271-I275 WeakPolarHBondContact O-CG1 3.49Å; V271-I275 PolarHBondContact O-N 3.47Å; V271-I275 VanDerWaalsContact O-N 3.1Å; F272-I275 PolarHBondContact O-N 2.94Å; K273-I275 VanDerWaalsContact C-N 3.3Å; K273-I275 PolarHBondContact O-N 3.47Å; I275-D277 VanDerWaalsContact C-N 3.33Å; I275-D277 PolarHBondContact O-N 2.91Å; I275-Y278 WeakPolarHBondContact O-CB 3.2Å; I275-Y278 PolarHBondContact O-N 3.41Å; I275-Y279 HydrophobicContact CG2-CD2 3.86Å; I275-Y279 HydrophobicContact CG2-CE2 3.94Å; I275-Y279 WeakPolarHBondContact O-CD2 3.17Å; I275-Y279 PolarHBondContact O-N 2.91Å; I275-Y279 VanDerWaalsContact O-N 3.12Å; I275-M333 HydrophobicContact CD1-SD 3.99Å; I275-M333 HydrophobicContact CG2-CE 4.25Å; I275-M333 HydrophobicContact CG2-SD 4.29Å; I275-F360 HydrophobicContact CG2-CE1 4.26Å; I275-F360 HydrophobicContact CG2-CZ 4.08Å
276A95.9Very high92.4Very high18 Ų1853.4 Ų53.415%0.14928%0.278CS..Hα-helixtrans-58.2-46177.300000111.2F272 K273 Y278 Y279 G280 T359F272-A276 WeakPolarHBondContact O-CB 3.42Å; F272-A276 PolarHBondContact O-N 3.21Å; K273-A276 WeakPolarHBondContact O-CB 3.41Å; K273-A276 PolarHBondContact O-N 3.42Å; A276-Y278 PolarHBondContact O-N 3.4Å; A276-Y279 PolarHBondContact O-N 3.23Å; A276-G280 PolarHBondContact O-N 2.91Å; A276-T359 HydrophobicContact CB-CG2 3.49Å; A276-T359 VanDerWaalsContact CB-CG2 3.49Å
277D96.1Very high92.9Very high76 Ų7652.4 Ų52.441%0.40627%0.268SS..Hα-helixtrans-60.1-47.1176.4-69.3-20.4000110.3K273 I275 Y279 G280 H281K273-D277 WeakPolarHBondContact O-CB 3.1Å; K273-D277 PolarHBondContact O-N 2.93Å; I275-D277 VanDerWaalsContact C-N 3.33Å; I275-D277 PolarHBondContact O-N 2.91Å; D277-Y279 PolarHBondContact O-N 3.15Å; D277-G280 PolarHBondContact O-N 3.21Å; D277-H281 PolarHBondContact O-N 3.05Å; D277-H281 PolarHBondContact O-ND1 3.37Å
278Y95.8Very high93.1Very high46 Ų4651.4 Ų51.418%0.1826%0.264CS..Hα-helixtrans-53.6-50.4177175.4-99.8000112.8L239 P240 W242 V243 T274 I275 A276 H281L239-Y278 HydrophobicContact CD2-CE1 3.45Å; L239-Y278 VanDerWaalsContact CD2-CE1 3.45Å; L239-Y278 WeakPolarHBondContact CD2-OH 3.26Å; P240-Y278 HydrophobicContact CG-CE2 4.05Å; W242-Y278 AromaticContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CD2 3.92Å; W242-Y278 HydrophobicContact CH2-CG 4.16Å; W242-Y278 AromaticContact CZ2-CD2 3.9Å; W242-Y278 HydrophobicContact CZ2-CD2 3.9Å; V243-Y278 HydrophobicContact CG1-CD1 4.02Å; V243-Y278 HydrophobicContact CG1-CE1 4.3Å; V243-Y278 HydrophobicContact CG1-CG 4.43Å; V243-Y278 HydrophobicContact CG2-CD1 4.08Å; V243-Y278 HydrophobicContact CG2-CD2 3.74Å; V243-Y278 HydrophobicContact CG2-CE1 4.32Å; V243-Y278 HydrophobicContact CG2-CE2 3.99Å; V243-Y278 HydrophobicContact CG2-CG 3.79Å; T274-Y278 PolarHBondContact O-N 2.79Å; T274-Y278 VanDerWaalsContact O-N 3.09Å; I275-Y278 WeakPolarHBondContact O-CB 3.2Å; I275-Y278 PolarHBondContact O-N 3.41Å; A276-Y278 PolarHBondContact O-N 3.4Å; Y278-H281 PolarHBondContact O-N 3.35Å
279Y94.9Very high93.2Very high2 Ų253.2 Ų53.21%0.00827%0.272CS..Hα-helixtrans-73.2-29.1-179-80.3-80.5000112.7M247 I275 A276 D277 H281 L282 L286 L330 F360 C363M247-Y279 HydrophobicContact SD-CE2 4.27Å; I275-Y279 HydrophobicContact CG2-CD2 3.86Å; I275-Y279 HydrophobicContact CG2-CE2 3.94Å; I275-Y279 WeakPolarHBondContact O-CD2 3.17Å; I275-Y279 PolarHBondContact O-N 2.91Å; I275-Y279 VanDerWaalsContact O-N 3.12Å; A276-Y279 PolarHBondContact O-N 3.23Å; D277-Y279 PolarHBondContact O-N 3.15Å; Y279-H281 VanDerWaalsContact C-N 3.31Å; Y279-L282 HydrophobicContact CD1-CD1 3.62Å; Y279-L282 HydrophobicContact CE1-CD1 4.3Å; Y279-L282 HydrophobicContact CG-CD1 4.46Å; Y279-L282 WeakPolarHBondContact O-CB 3.38Å; Y279-L282 WeakPolarHBondContact O-CG 3.26Å; Y279-L282 PolarHBondContact O-N 3.28Å; Y279-L286 HydrophobicContact CD1-CD1 4.31Å; Y279-L286 HydrophobicContact CE1-CD1 4.03Å; Y279-L286 HydrophobicContact CE1-CD2 4.42Å; Y279-L330 HydrophobicContact CD1-CD2 4.18Å; Y279-L330 HydrophobicContact CD2-CD1 4.34Å; Y279-L330 HydrophobicContact CE1-CD2 4.03Å; Y279-L330 HydrophobicContact CE2-CD1 4Å; Y279-F360 HydrophobicContact CD2-CD1 4.47Å; Y279-F360 AromaticContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CG-CD1 4.37Å; Y279-F360 HydrophobicContact CG-CE1 4.26Å; Y279-C363 VanDerWaalsContact O-CB 3.29Å; Y279-C363 WeakPolarHBondContact O-CB 3.16Å
280G91.9Very high93.1Very high62 Ų6255.6 Ų55.664%0.63928%0.284SS*.Hα-helixtrans-68.7-26.7174.800000113.7A276 D277 L282A276-G280 PolarHBondContact O-N 2.91Å; D277-G280 PolarHBondContact O-N 3.21Å; G280-L282 VanDerWaalsContact C-N 3.34Å
281H92.4Very high93.1Very high151 Ų15152.4 Ų52.470%0.69927%0.267SS*.THydrogen-bonded Turntrans-88.15.1176.7-68.295.6000114D277 Y278 Y279 K283D277-H281 PolarHBondContact O-N 3.05Å; D277-H281 PolarHBondContact O-ND1 3.37Å; Y278-H281 PolarHBondContact O-N 3.35Å; Y279-H281 VanDerWaalsContact C-N 3.31Å; H281-K283 PolarHBondContact O-N 3.4Å
282L90.8Very high93Very high47 Ų4752.7 Ų52.725%0.24627%0.267CS..  trans-65.9130.5174.8-66.7178.5000110.3Y279 G280 E284 L286Y279-L282 HydrophobicContact CD1-CD1 3.62Å; Y279-L282 HydrophobicContact CE1-CD1 4.3Å; Y279-L282 HydrophobicContact CG-CD1 4.46Å; Y279-L282 WeakPolarHBondContact O-CB 3.38Å; Y279-L282 WeakPolarHBondContact O-CG 3.26Å; Y279-L282 PolarHBondContact O-N 3.28Å; G280-L282 VanDerWaalsContact C-N 3.34Å; L282-E284 VanDerWaalsContact C-N 3.26Å; L282-E284 PolarHBondContact O-N 3.27Å; L282-L286 HydrophobicContact CD1-CD2 4Å; L282-L286 HydrophobicContact CD1-CG 4.39Å
283K87.6Confident92.8Very high209 Ų20956.1 Ų56.191%0.90929%0.286SS*.SBendtrans-70.2-24.1179.2-64.6-175.5179.4-1780113.3H281H281-K283 PolarHBondContact O-N 3.4Å
284E90.5Very high92.7Very high76 Ų7650.1 Ų50.136%0.35526%0.26SS..SBendtrans-136142-177.7-171.8178.4-170.700108.8L282 T288 F289L282-E284 VanDerWaalsContact C-N 3.26Å; L282-E284 PolarHBondContact O-N 3.27Å; E284-T288 VanDerWaalsContact OE1-CA 3.26Å; E284-T288 WeakPolarHBondContact OE1-CA 3.48Å; E284-T288 WeakPolarHBondContact OE1-CB 3.38Å; E284-F289 HydrophobicContact CB-CE2 4.18Å; E284-F289 HydrophobicContact CG-CD2 3.71Å; E284-F289 HydrophobicContact CG-CE2 3.79Å; E284-F289 HydrophobicContact CG-CG 4.47Å; E284-F289 PolarHBondContact OE1-N 3.26Å; E284-F289 VanDerWaalsContact OE1-N 3.16Å
285P93Very high92.6Very high3 Ų347 Ų472%0.01924%0.24CC..  trans-61.4152.8173.625-34.5000111.6L287 T288 F289 C363 C366P285-L287 PolarHBondContact O-N 2.69Å; P285-T288 WeakPolarHBondContact O-CA 3.33Å; P285-T288 PolarHBondContact O-N 3.06Å; P285-F289 HydrophobicContact CG-CD1 3.87Å; P285-F289 HydrophobicContact CG-CE1 3.79Å; P285-F289 HydrophobicContact CG-CG 4.37Å; P285-F289 HydrophobicContact CG-CZ 4.22Å; P285-C363 CarbonylContact C-O 3.57Å; P285-C363 VanDerWaalsContact CA-O 3.29Å; P285-C363 WeakPolarHBondContact CA-O 3.22Å; P285-C366 VanDerWaalsContact CD-SG 3.57Å; P285-C366 VanDerWaalsContact CG-SG 3.53Å
286L94.8Very high92.4Very high3 Ų348.8 Ų48.82%0.01625%0.251CS..THydrogen-bonded Turntrans-59.1-34.1177.6-65.8176.5000111.8Y279 L282 T288 N323 K326 L327 L330 C363 I364Y279-L286 HydrophobicContact CD1-CD1 4.31Å; Y279-L286 HydrophobicContact CE1-CD1 4.03Å; Y279-L286 HydrophobicContact CE1-CD2 4.42Å; L282-L286 HydrophobicContact CD1-CD2 4Å; L282-L286 HydrophobicContact CD1-CG 4.39Å; L286-T288 PolarHBondContact O-N 3.22Å; L286-N323 WeakPolarHBondContact O-CB 3.4Å; L286-N323 PolarHBondContact O-ND2 3.25Å; L286-N323 VanDerWaalsContact O-ND2 3.15Å; L286-K326 HydrophobicContact CD2-CB 3.75Å; L286-K326 HydrophobicContact CD2-CD 4.13Å; L286-L327 HydrophobicContact CD1-CB 4.43Å; L286-L327 HydrophobicContact CD1-CD1 4.24Å; L286-L330 HydrophobicContact CD1-CD2 3.77Å; L286-C363 PolarHBondContact N-O 2.92Å; L286-I364 HydrophobicContact CD1-CG1 4.19Å
287L94.4Very high92.2Very high0 Ų050.1 Ų50.10%026%0.259CS..THydrogen-bonded Turntrans-79.40.5176.4-60.6-176.3000114P285 L291 F295 L319 L327 I364 L365 L381P285-L287 PolarHBondContact O-N 2.69Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; L287-F295 HydrophobicContact CB-CD2 3.79Å; L287-F295 HydrophobicContact CB-CE2 3.77Å; L287-F295 HydrophobicContact CB-CZ 4.45Å; L287-F295 HydrophobicContact CD1-CB 4.4Å; L287-F295 HydrophobicContact CD1-CD1 3.96Å; L287-F295 HydrophobicContact CD1-CD2 3.96Å; L287-F295 HydrophobicContact CD1-CE1 4.2Å; L287-F295 HydrophobicContact CD1-CE2 4.23Å; L287-F295 HydrophobicContact CD1-CG 3.84Å; L287-F295 HydrophobicContact CD1-CZ 4.36Å; L287-F295 HydrophobicContact CD2-CD2 4.41Å; L287-F295 HydrophobicContact CD2-CE1 4.03Å; L287-F295 HydrophobicContact CD2-CE2 3.85Å; L287-F295 HydrophobicContact CD2-CZ 3.64Å; L287-F295 HydrophobicContact CG-CD2 4.26Å; L287-F295 HydrophobicContact CG-CE2 4.15Å; L287-F295 HydrophobicContact CG-CZ 4.35Å; L287-L319 HydrophobicContact CD2-CD1 3.88Å; L287-L319 HydrophobicContact CD2-CD2 4.17Å; L287-L327 HydrophobicContact CD2-CD2 3.71Å; L287-I364 VanDerWaalsContact CB-O 3.27Å; L287-I364 WeakPolarHBondContact CB-O 3.34Å; L287-I364 HydrophobicContact CD1-CG2 3.81Å; L287-I364 HydrophobicContact CG-CG2 3.93Å; L287-I364 WeakPolarHBondContact CG-O 3.29Å; L287-I364 PolarHBondContact N-O 3.28Å; L287-L365 HydrophobicContact CB-CD1 4.38Å; L287-L365 HydrophobicContact CD1-CB 4.34Å; L287-L365 HydrophobicContact CD1-CD1 3.97Å; L287-L381 HydrophobicContact CD1-CD1 4.48Å; L287-L381 HydrophobicContact CD1-CD2 3.84Å
288T92.9Very high92.1Very high9 Ų946.5 Ų46.56%0.05524%0.24CC..  trans62.9152.8-175.673.30000113.9E284 P285 L286 H290 L291 L319 P320E284-T288 VanDerWaalsContact OE1-CA 3.26Å; E284-T288 WeakPolarHBondContact OE1-CA 3.48Å; E284-T288 WeakPolarHBondContact OE1-CB 3.38Å; P285-T288 WeakPolarHBondContact O-CA 3.33Å; P285-T288 PolarHBondContact O-N 3.06Å; L286-T288 PolarHBondContact O-N 3.22Å; T288-H290 VanDerWaalsContact C-N 3.3Å; T288-H290 PolarHBondContact O-N 2.99Å; T288-L291 PolarHBondContact OG1-N 3.27Å; T288-L319 HydrophobicContact CG2-CD2 4.5Å; T288-P320 HydrophobicContact CG2-CG 4.03Å
289F91.1Very high91.8Very high60 Ų6044.6 Ų44.626%0.26323%0.233SC..SBendtrans-69.3-32.6175.8-65.8-60.8000111.8E284 P285 L291 F292 K368E284-F289 HydrophobicContact CB-CE2 4.18Å; E284-F289 HydrophobicContact CG-CD2 3.71Å; E284-F289 HydrophobicContact CG-CE2 3.79Å; E284-F289 HydrophobicContact CG-CG 4.47Å; E284-F289 PolarHBondContact OE1-N 3.26Å; E284-F289 VanDerWaalsContact OE1-N 3.16Å; P285-F289 HydrophobicContact CG-CD1 3.87Å; P285-F289 HydrophobicContact CG-CE1 3.79Å; P285-F289 HydrophobicContact CG-CG 4.37Å; P285-F289 HydrophobicContact CG-CZ 4.22Å; F289-L291 VanDerWaalsContact C-N 3.29Å; F289-L291 PolarHBondContact O-N 3.42Å; F289-F292 WeakPolarHBondContact O-CB 3.36Å; F289-F292 PolarHBondContact O-N 3.26Å; F289-K368 HydrophobicContact CD1-CB 3.99Å; F289-K368 HydrophobicContact CE1-CB 4.28Å; F289-K368 HydrophobicContact CG-CB 4.35Å
290H89.9Confident91.5Very high111 Ų11147.5 Ų47.551%0.51426%0.263SS..THydrogen-bonded Turntrans-68.3-25.3-176.1-60.5-55.6000114.3L211 T288L211-H290 HydrophobicContact CD1-CB 4.37Å; L211-H290 VanDerWaalsContact CD1-ND1 3.32Å; L211-H290 WeakPolarHBondContact CD1-ND1 3.48Å; T288-H290 VanDerWaalsContact C-N 3.3Å; T288-H290 PolarHBondContact O-N 2.99Å
291L91.6Very high91.4Very high9 Ų946.1 Ų46.15%0.04724%0.241CC..THydrogen-bonded Turntrans-102.63.5-180-61.1166.3000112.1L207 L287 T288 F289 D293 A294 F295 L318 L319L207-L291 HydrophobicContact CD1-CD2 3.38Å; L287-L291 WeakPolarHBondContact O-CB 3.4Å; T288-L291 PolarHBondContact OG1-N 3.27Å; F289-L291 VanDerWaalsContact C-N 3.29Å; F289-L291 PolarHBondContact O-N 3.42Å; L291-D293 PolarHBondContact O-N 3.47Å; L291-A294 WeakPolarHBondContact O-CB 3.1Å; L291-A294 PolarHBondContact O-N 3.44Å; L291-A294 VanDerWaalsContact O-N 3.14Å; L291-F295 HydrophobicContact CB-CD2 3.87Å; L291-F295 HydrophobicContact CB-CE2 3.74Å; L291-F295 HydrophobicContact CD1-CE2 4.33Å; L291-F295 WeakPolarHBondContact O-CD2 3.47Å; L291-F295 PolarHBondContact O-N 2.88Å; L291-L318 HydrophobicContact CD1-CB 4.12Å; L291-L318 HydrophobicContact CD2-CB 4.03Å; L291-L318 HydrophobicContact CD2-CD1 4.03Å; L291-L319 HydrophobicContact CD1-CD2 3.65Å; L291-L319 HydrophobicContact CD1-CG 4.3Å
292F91Very high91.3Very high19 Ų1940.1 Ų40.18%0.08321%0.214CC..Hα-helixtrans-52.9-53.4-177.5176-94.5000111.5F289 A294 F295 V296 L365 C366F289-F292 WeakPolarHBondContact O-CB 3.36Å; F289-F292 PolarHBondContact O-N 3.26Å; F292-A294 VanDerWaalsContact C-N 3.28Å; F292-A294 PolarHBondContact O-N 3.13Å; F292-F295 PolarHBondContact O-N 3.05Å; F292-F295 VanDerWaalsContact O-N 3.12Å; F292-V296 HydrophobicContact CD1-CG2 4.13Å; F292-V296 HydrophobicContact CD2-CG2 4.43Å; F292-V296 HydrophobicContact CE1-CG2 3.75Å; F292-V296 HydrophobicContact CE2-CG2 4.07Å; F292-V296 HydrophobicContact CG-CG2 4.46Å; F292-V296 HydrophobicContact CZ-CG2 3.72Å; F292-V296 WeakPolarHBondContact O-CG2 3.26Å; F292-V296 PolarHBondContact O-N 2.62Å; F292-L365 HydrophobicContact CD2-CD1 3.6Å; F292-L365 HydrophobicContact CD2-CD2 4.41Å; F292-L365 HydrophobicContact CD2-CG 3.81Å; F292-L365 HydrophobicContact CE2-CD1 4.06Å; F292-L365 HydrophobicContact CE2-CD2 4.02Å; F292-L365 HydrophobicContact CE2-CG 3.79Å; F292-L365 HydrophobicContact CG-CD1 4.49Å; F292-C366 WeakPolarHBondContact CD2-O 3.14Å
293D90.2Very high91.1Very high86 Ų8646 Ų4646%0.4624%0.241SC..Hα-helixtrans-63.3-33.9-179.1-63.3-47000112.4L291 V296 S297L291-D293 PolarHBondContact O-N 3.47Å; D293-V296 PolarHBondContact O-N 2.93Å; D293-S297 VanDerWaalsContact O-CB 3.26Å; D293-S297 WeakPolarHBondContact O-CB 3.25Å; D293-S297 PolarHBondContact O-N 3.36Å; D293-S297 PolarHBondContact O-OG 3.44Å
294A92.1Very high91.3Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-63.5-46.3173.300000112V206 L291 F292 S297 V298V206-A294 HydrophobicContact CG1-CB 3.89Å; V206-A294 PolarHBondContact O-N 2.93Å; L291-A294 WeakPolarHBondContact O-CB 3.1Å; L291-A294 PolarHBondContact O-N 3.44Å; L291-A294 VanDerWaalsContact O-N 3.14Å; F292-A294 VanDerWaalsContact C-N 3.28Å; F292-A294 PolarHBondContact O-N 3.13Å; A294-S297 PolarHBondContact O-N 3.28Å; A294-V298 WeakPolarHBondContact O-CG2 3.47Å; A294-V298 PolarHBondContact O-N 2.94Å; A294-V298 VanDerWaalsContact O-N 3.15Å
295F92.8Very high91.4Very high0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-68.3-37.9177.2-77.6-71.2000112.5L287 L291 F292 V298 L299 F312 C315 L319 L365 L381L287-F295 HydrophobicContact CB-CD2 3.79Å; L287-F295 HydrophobicContact CB-CE2 3.77Å; L287-F295 HydrophobicContact CB-CZ 4.45Å; L287-F295 HydrophobicContact CD1-CB 4.4Å; L287-F295 HydrophobicContact CD1-CD1 3.96Å; L287-F295 HydrophobicContact CD1-CD2 3.96Å; L287-F295 HydrophobicContact CD1-CE1 4.2Å; L287-F295 HydrophobicContact CD1-CE2 4.23Å; L287-F295 HydrophobicContact CD1-CG 3.84Å; L287-F295 HydrophobicContact CD1-CZ 4.36Å; L287-F295 HydrophobicContact CD2-CD2 4.41Å; L287-F295 HydrophobicContact CD2-CE1 4.03Å; L287-F295 HydrophobicContact CD2-CE2 3.85Å; L287-F295 HydrophobicContact CD2-CZ 3.64Å; L287-F295 HydrophobicContact CG-CD2 4.26Å; L287-F295 HydrophobicContact CG-CE2 4.15Å; L287-F295 HydrophobicContact CG-CZ 4.35Å; L291-F295 HydrophobicContact CB-CD2 3.87Å; L291-F295 HydrophobicContact CB-CE2 3.74Å; L291-F295 HydrophobicContact CD1-CE2 4.33Å; L291-F295 WeakPolarHBondContact O-CD2 3.47Å; L291-F295 PolarHBondContact O-N 2.88Å; F292-F295 PolarHBondContact O-N 3.05Å; F292-F295 VanDerWaalsContact O-N 3.12Å; F295-V298 PolarHBondContact O-N 3.38Å; F295-L299 PolarHBondContact O-N 3.02Å; F295-F312 AromaticContact CD1-CD1 3.72Å; F295-F312 HydrophobicContact CD1-CD1 3.72Å; F295-F312 AromaticContact CD1-CE1 3.78Å; F295-F312 HydrophobicContact CD1-CE1 3.78Å; F295-F312 AromaticContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CE1 4.45Å; F295-C315 HydrophobicContact CD1-CB 4.11Å; F295-C315 HydrophobicContact CE1-CB 3.53Å; F295-C315 HydrophobicContact CE2-CB 4.31Å; F295-C315 HydrophobicContact CZ-CB 3.62Å; F295-L319 HydrophobicContact CE2-CD2 4.09Å; F295-L319 HydrophobicContact CZ-CD1 4.37Å; F295-L319 HydrophobicContact CZ-CD2 4.28Å; F295-L319 HydrophobicContact CZ-CG 4.37Å; F295-L365 HydrophobicContact CB-CD1 4.1Å; F295-L381 HydrophobicContact CB-CD1 3.93Å
296V91.2Very high91.3Very high38 Ų3852 Ų5223%0.2327%0.267CS..Hα-helixtrans-66.4-39.8174.9173.60000111.3F292 D293 V298 L299 L365 L377F292-V296 HydrophobicContact CD1-CG2 4.13Å; F292-V296 HydrophobicContact CD2-CG2 4.43Å; F292-V296 HydrophobicContact CE1-CG2 3.75Å; F292-V296 HydrophobicContact CE2-CG2 4.07Å; F292-V296 HydrophobicContact CG-CG2 4.46Å; F292-V296 HydrophobicContact CZ-CG2 3.72Å; F292-V296 WeakPolarHBondContact O-CG2 3.26Å; F292-V296 PolarHBondContact O-N 2.62Å; D293-V296 PolarHBondContact O-N 2.93Å; V296-V298 VanDerWaalsContact C-N 3.27Å; V296-V298 PolarHBondContact O-N 2.9Å; V296-L299 VanDerWaalsContact O-CB 3.28Å; V296-L299 WeakPolarHBondContact O-CB 3.28Å; V296-L299 PolarHBondContact O-N 2.72Å; V296-L365 HydrophobicContact CG2-CD2 4.41Å; V296-L377 HydrophobicContact CG1-CD1 4.43Å
297S91.4Very high91.2Very high45 Ų4554.1 Ų54.132%0.31528%0.28SS..Hα-helixtrans-59.9-39.1174.9-63.90000111.8D293 A294 L299 G300D293-S297 VanDerWaalsContact O-CB 3.26Å; D293-S297 WeakPolarHBondContact O-CB 3.25Å; D293-S297 PolarHBondContact O-N 3.36Å; D293-S297 PolarHBondContact O-OG 3.44Å; A294-S297 PolarHBondContact O-N 3.28Å; S297-L299 VanDerWaalsContact C-N 3.26Å; S297-L299 PolarHBondContact O-N 3.39Å; S297-G300 PolarHBondContact O-N 2.92Å; S297-G300 VanDerWaalsContact O-N 3.17Å
298V93.3Very high91.2Very high0 Ų054.1 Ų54.10%028%0.28CS..Hα-helixtrans-64.6-30.5175.4-177.60000111.6L198 A294 F295 V296 G300 L301 A311 F312L198-V298 HydrophobicContact CD2-CG2 4.06Å; A294-V298 WeakPolarHBondContact O-CG2 3.47Å; A294-V298 PolarHBondContact O-N 2.94Å; A294-V298 VanDerWaalsContact O-N 3.15Å; F295-V298 PolarHBondContact O-N 3.38Å; V296-V298 VanDerWaalsContact C-N 3.27Å; V296-V298 PolarHBondContact O-N 2.9Å; V298-G300 PolarHBondContact O-N 3.17Å; V298-L301 WeakPolarHBondContact O-CA 3.32Å; V298-L301 WeakPolarHBondContact O-CB 3.23Å; V298-L301 PolarHBondContact O-N 2.81Å; V298-A311 HydrophobicContact CB-CB 4.43Å; V298-A311 HydrophobicContact CG1-CB 3.67Å; V298-A311 HydrophobicContact CG2-CB 3.96Å; V298-F312 HydrophobicContact CB-CD1 4.4Å; V298-F312 HydrophobicContact CB-CE1 4.08Å; V298-F312 HydrophobicContact CB-CE2 4.45Å; V298-F312 HydrophobicContact CB-CZ 4.1Å; V298-F312 HydrophobicContact CG1-CD1 3.92Å; V298-F312 HydrophobicContact CG1-CD2 3.57Å; V298-F312 HydrophobicContact CG1-CE1 3.83Å; V298-F312 HydrophobicContact CG1-CE2 3.47Å; V298-F312 VanDerWaalsContact CG1-CE2 3.47Å; V298-F312 HydrophobicContact CG1-CG 3.78Å; V298-F312 HydrophobicContact CG1-CZ 3.61Å
299L90.8Very high91.3Very high6 Ų654.5 Ų54.53%0.03128%0.282CS..Hα-helixtrans-61.6-26.6176.1-65.7172.7000113.2F295 V296 S297 L301 L302 F312 L377 L381F295-L299 PolarHBondContact O-N 3.02Å; V296-L299 VanDerWaalsContact O-CB 3.28Å; V296-L299 WeakPolarHBondContact O-CB 3.28Å; V296-L299 PolarHBondContact O-N 2.72Å; S297-L299 VanDerWaalsContact C-N 3.26Å; S297-L299 PolarHBondContact O-N 3.39Å; L299-L301 PolarHBondContact O-N 2.88Å; L299-L302 HydrophobicContact CB-CD1 4.4Å; L299-L302 HydrophobicContact CD2-CD1 3.64Å; L299-L302 HydrophobicContact CD2-CD2 4.5Å; L299-L302 HydrophobicContact CD2-CG 4.21Å; L299-L302 VanDerWaalsContact O-CG 3.3Å; L299-L302 WeakPolarHBondContact O-CG 3.46Å; L299-L302 PolarHBondContact O-N 2.99Å; L299-F312 HydrophobicContact CD2-CZ 4.12Å; L299-L377 HydrophobicContact CD1-CB 4.27Å; L299-L377 HydrophobicContact CD1-CD2 4.3Å; L299-L381 HydrophobicContact CD1-CB 4.06Å; L299-L381 HydrophobicContact CD1-CD1 4.1Å; L299-L381 HydrophobicContact CD2-CB 3.63Å; L299-L381 HydrophobicContact CD2-CD1 3.93Å; L299-L381 HydrophobicContact CD2-CG 3.94Å; L299-L381 HydrophobicContact CG-CB 4.32Å; L299-L381 HydrophobicContact CG-CD1 4.02Å
300G88.3Confident91.5Very high63 Ų6355.2 Ų55.265%0.64929%0.286SS*.THydrogen-bonded Turntrans-62.1-22.8171.900000113.3S297 V298S297-G300 PolarHBondContact O-N 2.92Å; S297-G300 VanDerWaalsContact O-N 3.17Å; V298-G300 PolarHBondContact O-N 3.17Å
301L90.1Very high91.8Very high34 Ų3449.9 Ų49.918%0.17826%0.261CS..THydrogen-bonded Turntrans-94.2-0.5-177-58.6177.2000113.9I197 L198 V298 L299 Q303 K304 V307 A308 A311I197-L301 HydrophobicContact CG2-CD1 4.35Å; L198-L301 HydrophobicContact CD2-CD1 3.64Å; V298-L301 WeakPolarHBondContact O-CA 3.32Å; V298-L301 WeakPolarHBondContact O-CB 3.23Å; V298-L301 PolarHBondContact O-N 2.81Å; L299-L301 PolarHBondContact O-N 2.88Å; L301-Q303 PolarHBondContact O-N 3.43Å; L301-K304 CarbonylContact O-C 3.57Å; L301-K304 WeakPolarHBondContact O-CA 3.37Å; L301-K304 PolarHBondContact O-N 2.94Å; L301-V307 HydrophobicContact CD1-CG1 4.3Å; L301-A308 HydrophobicContact CB-CB 4.3Å; L301-A311 HydrophobicContact CD1-CB 4.37Å
302L89.5Confident92Very high25 Ų2549.5 Ų49.513%0.13126%0.259CS..THydrogen-bonded Turntrans-57.4-20.8-176.7-70.9-179.6000114.6L299 K304 A308 F312 R380 F384L299-L302 HydrophobicContact CB-CD1 4.4Å; L299-L302 HydrophobicContact CD2-CD1 3.64Å; L299-L302 HydrophobicContact CD2-CD2 4.5Å; L299-L302 HydrophobicContact CD2-CG 4.21Å; L299-L302 VanDerWaalsContact O-CG 3.3Å; L299-L302 WeakPolarHBondContact O-CG 3.46Å; L299-L302 PolarHBondContact O-N 2.99Å; L302-K304 PolarHBondContact O-N 3.49Å; L302-A308 HydrophobicContact CD2-CB 4.23Å; L302-F312 HydrophobicContact CD2-CE2 4.01Å; L302-R380 HydrophobicContact CD1-CG 4.07Å; L302-F384 HydrophobicContact CD2-CB 4.06Å; L302-F384 HydrophobicContact CD2-CD1 3.53Å; L302-F384 HydrophobicContact CD2-CD2 3.55Å; L302-F384 HydrophobicContact CD2-CE1 3.75Å; L302-F384 HydrophobicContact CD2-CE2 3.77Å; L302-F384 HydrophobicContact CD2-CG 3.41Å; L302-F384 VanDerWaalsContact CD2-CG 3.41Å; L302-F384 HydrophobicContact CD2-CZ 3.87Å
303Q87.2Confident92.2Very high170 Ų17049.7 Ų49.779%0.79426%0.261SS*.THydrogen-bonded Turntrans-65.1-22.8173-59.9-62-13.400112.8L301L301-Q303 PolarHBondContact O-N 3.43Å
304K91.9Very high92.4Very high139 Ų13945.7 Ų45.760%0.60424%0.239SC*.SBendtrans-114.979.8177.9-63.3179.5-175.8174.80108.8L301 L302 K306 V307 A308L301-K304 CarbonylContact O-C 3.57Å; L301-K304 WeakPolarHBondContact O-CA 3.37Å; L301-K304 PolarHBondContact O-N 2.94Å; L302-K304 PolarHBondContact O-N 3.49Å; K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.48Å; K304-V307 HydrophobicContact CB-CB 4.04Å; K304-V307 HydrophobicContact CB-CG2 4.21Å; K304-V307 PolarHBondContact O-N 3.18Å; K304-A308 PolarHBondContact O-N 2.88Å
305E91.1Very high92.6Very high107 Ų10745.7 Ų45.750%0.524%0.239SC..Hα-helixtrans-47.6-49.4-172.3-175.8170.9-156.700113.8V307 A308 V309 F384 N388E305-V307 PolarHBondContact O-N 3.37Å; E305-A308 PolarHBondContact O-N 2.92Å; E305-V309 HydrophobicContact CG-CG2 4.49Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.43Å; E305-V309 PolarHBondContact O-N 3.35Å; E305-F384 HydrophobicContact CG-CE2 4.17Å; E305-F384 HydrophobicContact CG-CZ 4.21Å; E305-N388 PolarHBondContact OE1-ND2 2.92Å; E305-N388 PolarHBondContact OE1-OD1 2.92Å
306K91.7Very high92.7Very high169 Ų16945.7 Ų45.774%0.73524%0.239SC*.Hα-helixtrans-58.1-46.4179.1-65.9-173.8177.1-175.70113.2K304 A308 V309 E310K304-K306 VanDerWaalsContact C-N 3.33Å; K304-K306 PolarHBondContact O-N 3.48Å; K306-A308 VanDerWaalsContact C-N 3.35Å; K306-V309 PolarHBondContact O-N 2.85Å; K306-E310 WeakPolarHBondContact O-CG 3.37Å; K306-E310 PolarHBondContact O-N 2.86Å
307V93.2Very high92.9Very high46 Ų4643.9 Ų43.928%0.27923%0.228SC..Hα-helixtrans-69.1-37.5-179.3179.60000110.4I197 L301 K304 E305 E310 A311I197-V307 HydrophobicContact CG2-CG1 3.71Å; L301-V307 HydrophobicContact CD1-CG1 4.3Å; K304-V307 HydrophobicContact CB-CB 4.04Å; K304-V307 HydrophobicContact CB-CG2 4.21Å; K304-V307 PolarHBondContact O-N 3.18Å; E305-V307 PolarHBondContact O-N 3.37Å; V307-E310 PolarHBondContact O-N 3.28Å; V307-A311 WeakPolarHBondContact O-CB 3.21Å; V307-A311 PolarHBondContact O-N 3.23Å
308A94.4Very high93Very high0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-64.7-43.4174.500000111.6L301 L302 K304 E305 K306 A311 F312 F384L301-A308 HydrophobicContact CB-CB 4.3Å; L302-A308 HydrophobicContact CD2-CB 4.23Å; K304-A308 PolarHBondContact O-N 2.88Å; E305-A308 PolarHBondContact O-N 2.92Å; K306-A308 VanDerWaalsContact C-N 3.35Å; A308-A311 PolarHBondContact O-N 3.47Å; A308-F312 WeakPolarHBondContact O-CD2 3.29Å; A308-F312 PolarHBondContact O-N 3.46Å; A308-F384 HydrophobicContact CB-CE1 4.23Å; A308-F384 HydrophobicContact CB-CZ 4.05Å
309V95.4Very high93.1Very high17 Ų1742.2 Ų42.210%0.10322%0.216CC..Hα-helixtrans-59.4-48.3175.6169.10000110.7E305 K306 A311 F312 Q313 F384 N388 E391 I392E305-V309 HydrophobicContact CG-CG2 4.49Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.43Å; E305-V309 PolarHBondContact O-N 3.35Å; K306-V309 PolarHBondContact O-N 2.85Å; V309-A311 PolarHBondContact O-N 3.36Å; V309-F312 PolarHBondContact O-N 3.17Å; V309-Q313 WeakPolarHBondContact O-CG 3.29Å; V309-Q313 PolarHBondContact O-N 3.3Å; V309-F384 HydrophobicContact CG2-CE1 4.34Å; V309-F384 HydrophobicContact CG2-CZ 4.08Å; V309-N388 HydrophobicContact CG2-CB 4.3Å; V309-E391 HydrophobicContact CG1-CB 3.79Å; V309-I392 HydrophobicContact CB-CG1 4.34Å; V309-I392 HydrophobicContact CG1-CG1 4.08Å; V309-I392 HydrophobicContact CG2-CD1 4.5Å; V309-I392 HydrophobicContact CG2-CG1 4.09Å
310E94.4Very high93.3Very high75 Ų7543.1 Ų43.135%0.3522%0.222SC..Hα-helixtrans-58.2-46175.4-73.6170.7-159.700111.5I197 K306 V307 F312 Q313 I314I197-E310 HydrophobicContact CD1-CB 4.18Å; K306-E310 WeakPolarHBondContact O-CG 3.37Å; K306-E310 PolarHBondContact O-N 2.86Å; V307-E310 PolarHBondContact O-N 3.28Å; E310-F312 PolarHBondContact O-N 3.42Å; E310-Q313 WeakPolarHBondContact O-CB 3.46Å; E310-Q313 PolarHBondContact O-N 3.17Å; E310-I314 VanDerWaalsContact O-CG1 3.23Å; E310-I314 WeakPolarHBondContact O-CG1 3.1Å; E310-I314 PolarHBondContact O-N 3.37Å
311A95.2Very high93.7Very high0 Ų040.7 Ų40.70%020%0.195CC..Hα-helixtrans-62-4417800000112.3I197 V298 L301 V307 A308 V309 I314 C315I197-A311 HydrophobicContact CG2-CB 3.65Å; V298-A311 HydrophobicContact CB-CB 4.43Å; V298-A311 HydrophobicContact CG1-CB 3.67Å; V298-A311 HydrophobicContact CG2-CB 3.96Å; L301-A311 HydrophobicContact CD1-CB 4.37Å; V307-A311 WeakPolarHBondContact O-CB 3.21Å; V307-A311 PolarHBondContact O-N 3.23Å; A308-A311 PolarHBondContact O-N 3.47Å; V309-A311 PolarHBondContact O-N 3.36Å; A311-I314 PolarHBondContact O-N 2.96Å; A311-C315 PolarHBondContact O-N 3.32Å; A311-C315 PolarHBondContact O-SG 2.95Å
312F96Very high93.9Very high0 Ų041.8 Ų41.80%020%0.199CC..Hα-helixtrans-65.5-38.4176.6-79.5-64.8000112.4F295 V298 L299 L302 A308 V309 E310 I314 C315 C316 L381 F384 L385 I392F295-F312 AromaticContact CD1-CD1 3.72Å; F295-F312 HydrophobicContact CD1-CD1 3.72Å; F295-F312 AromaticContact CD1-CE1 3.78Å; F295-F312 HydrophobicContact CD1-CE1 3.78Å; F295-F312 AromaticContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CD1 3.96Å; F295-F312 HydrophobicContact CE1-CE1 4.45Å; V298-F312 HydrophobicContact CB-CD1 4.4Å; V298-F312 HydrophobicContact CB-CE1 4.08Å; V298-F312 HydrophobicContact CB-CE2 4.45Å; V298-F312 HydrophobicContact CB-CZ 4.1Å; V298-F312 HydrophobicContact CG1-CD1 3.92Å; V298-F312 HydrophobicContact CG1-CD2 3.57Å; V298-F312 HydrophobicContact CG1-CE1 3.83Å; V298-F312 HydrophobicContact CG1-CE2 3.47Å; V298-F312 VanDerWaalsContact CG1-CE2 3.47Å; V298-F312 HydrophobicContact CG1-CG 3.78Å; V298-F312 HydrophobicContact CG1-CZ 3.61Å; L299-F312 HydrophobicContact CD2-CZ 4.12Å; L302-F312 HydrophobicContact CD2-CE2 4.01Å; A308-F312 WeakPolarHBondContact O-CD2 3.29Å; A308-F312 PolarHBondContact O-N 3.46Å; V309-F312 PolarHBondContact O-N 3.17Å; E310-F312 PolarHBondContact O-N 3.42Å; F312-I314 VanDerWaalsContact C-N 3.26Å; F312-I314 PolarHBondContact O-N 2.9Å; F312-C315 PolarHBondContact O-N 3.3Å; F312-C316 VanDerWaalsContact O-CB 3.27Å; F312-C316 WeakPolarHBondContact O-CB 3.32Å; F312-C316 PolarHBondContact O-N 3.05Å; F312-C316 PolarHBondContact O-SG 3.35Å; F312-L381 HydrophobicContact CE1-CD1 3.87Å; F312-L381 HydrophobicContact CE1-CG 4.2Å; F312-L381 HydrophobicContact CZ-CD1 4.19Å; F312-L381 HydrophobicContact CZ-CG 4.27Å; F312-F384 AromaticContact CD2-CD1 3.92Å; F312-F384 HydrophobicContact CD2-CD1 3.92Å; F312-F384 AromaticContact CD2-CE1 3.65Å; F312-F384 HydrophobicContact CD2-CE1 3.65Å; F312-F384 AromaticContact CE2-CD1 3.46Å; F312-F384 HydrophobicContact CE2-CD1 3.46Å; F312-F384 VanDerWaalsContact CE2-CD1 3.46Å; F312-F384 AromaticContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CZ-CD1 4.33Å; F312-L385 HydrophobicContact CD1-CD2 4.25Å; F312-L385 HydrophobicContact CG-CD2 4.45Å; F312-I392 HydrophobicContact CB-CB 4.42Å; F312-I392 HydrophobicContact CB-CD1 4.24Å; F312-I392 HydrophobicContact CB-CG1 4.12Å; F312-I392 HydrophobicContact CB-CG2 3.56Å; F312-I392 HydrophobicContact CD2-CD1 4.07Å; F312-I392 HydrophobicContact CG-CD1 4.35Å; F312-I392 HydrophobicContact CG-CG2 4.43Å
313Q95.5Very high94.1Very high24 Ų2441.3 Ų41.311%0.11220%0.197CC..Hα-helixtrans-54.9-47174.1-76.8173.2-25.500110.7V309 E310 C316 L317 E391 I392 P396V309-Q313 WeakPolarHBondContact O-CG 3.29Å; V309-Q313 PolarHBondContact O-N 3.3Å; E310-Q313 WeakPolarHBondContact O-CB 3.46Å; E310-Q313 PolarHBondContact O-N 3.17Å; Q313-C316 PolarHBondContact O-N 3.06Å; Q313-L317 WeakPolarHBondContact O-CG 3.1Å; Q313-L317 PolarHBondContact O-N 3.05Å; Q313-E391 WeakPolarHBondContact CG-O 3.43Å; Q313-E391 PolarHBondContact NE2-O 3.11Å; Q313-I392 WeakPolarHBondContact CA-O 3.26Å; Q313-I392 VanDerWaalsContact CG-O 3.24Å; Q313-I392 WeakPolarHBondContact CG-O 3.38Å; Q313-P396 HydrophobicContact CB-CG 4.47Å
314I95.1Very high94.5Very high1 Ų133.3 Ų33.31%0.00516%0.159CC..Hα-helixtrans-67.4-47.9-178.7-58.3-72.8000110.9T190 Y193 L194 I197 E310 A311 F312 C316 L317 P396 L399T190-I314 HydrophobicContact CG2-CG2 3.78Å; Y193-I314 HydrophobicContact CD1-CD1 3.46Å; Y193-I314 VanDerWaalsContact CD1-CD1 3.46Å; Y193-I314 HydrophobicContact CD1-CG1 3.76Å; Y193-I314 HydrophobicContact CE1-CD1 3.8Å; Y193-I314 HydrophobicContact CE1-CG1 4.04Å; Y193-I314 HydrophobicContact CG-CD1 4.48Å; L194-I314 HydrophobicContact CB-CG2 3.82Å; L194-I314 HydrophobicContact CD1-CB 4.42Å; L194-I314 HydrophobicContact CD1-CG2 4.16Å; L194-I314 HydrophobicContact CG-CG2 4.43Å; I197-I314 HydrophobicContact CD1-CG1 4.12Å; E310-I314 VanDerWaalsContact O-CG1 3.23Å; E310-I314 WeakPolarHBondContact O-CG1 3.1Å; E310-I314 PolarHBondContact O-N 3.37Å; A311-I314 PolarHBondContact O-N 2.96Å; F312-I314 VanDerWaalsContact C-N 3.26Å; F312-I314 PolarHBondContact O-N 2.9Å; I314-C316 VanDerWaalsContact C-N 3.27Å; I314-C316 PolarHBondContact O-N 3.3Å; I314-L317 WeakPolarHBondContact O-CB 3.36Å; I314-L317 PolarHBondContact O-N 3.17Å; I314-P396 HydrophobicContact CD1-CB 4.4Å; I314-P396 HydrophobicContact CD1-CG 3.88Å; I314-L399 HydrophobicContact CD1-CB 4.42Å; I314-L399 HydrophobicContact CD1-CD2 3.54Å; I314-L399 HydrophobicContact CD1-CG 4.45Å
315C94.9Very high94.6Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-59-39.1175.4-69.70000112F295 A311 F312 L317 L318F295-C315 HydrophobicContact CD1-CB 4.11Å; F295-C315 HydrophobicContact CE1-CB 3.53Å; F295-C315 HydrophobicContact CE2-CB 4.31Å; F295-C315 HydrophobicContact CZ-CB 3.62Å; A311-C315 PolarHBondContact O-N 3.32Å; A311-C315 PolarHBondContact O-SG 2.95Å; F312-C315 PolarHBondContact O-N 3.3Å; C315-L317 VanDerWaalsContact C-N 3.27Å; C315-L317 PolarHBondContact O-N 3.11Å; C315-L318 WeakPolarHBondContact O-CB 3.34Å; C315-L318 PolarHBondContact O-N 3.46Å; C315-L318 VanDerWaalsContact O-N 3.11Å
316C95.4Very high94.8Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-66.3-24.9176.6-74.70000113.4F312 Q313 I314 L318 L319 R324 L393F312-C316 VanDerWaalsContact O-CB 3.27Å; F312-C316 WeakPolarHBondContact O-CB 3.32Å; F312-C316 PolarHBondContact O-N 3.05Å; F312-C316 PolarHBondContact O-SG 3.35Å; Q313-C316 PolarHBondContact O-N 3.06Å; I314-C316 VanDerWaalsContact C-N 3.27Å; I314-C316 PolarHBondContact O-N 3.3Å; C316-L318 VanDerWaalsContact C-N 3.29Å; C316-L319 HydrophobicContact CB-CD1 4.26Å; C316-L319 WeakPolarHBondContact O-CB 3.39Å; C316-L319 PolarHBondContact O-N 3.33Å; C316-R324 VanDerWaalsContact O-CD 3.25Å; C316-R324 WeakPolarHBondContact O-CD 3.49Å; C316-L393 HydrophobicContact CB-CD2 4.41Å
317L95.3Very high95.1Very high1 Ų117.2 Ų17.21%0.0059%0.086CC..Hα-helixtrans-70.3-26.4172.5-67.7-178.3000112.8I217 N220 V221 Q313 I314 C315 L319 P396 L399I217-L317 HydrophobicContact CG2-CB 4.47Å; N220-L317 HydrophobicContact CB-CD2 3.97Å; N220-L317 PolarHBondContact ND2-O 3.38Å; V221-L317 HydrophobicContact CG2-CD1 4.17Å; V221-L317 HydrophobicContact CG2-CD2 4.02Å; Q313-L317 WeakPolarHBondContact O-CG 3.1Å; Q313-L317 PolarHBondContact O-N 3.05Å; I314-L317 WeakPolarHBondContact O-CB 3.36Å; I314-L317 PolarHBondContact O-N 3.17Å; C315-L317 VanDerWaalsContact C-N 3.27Å; C315-L317 PolarHBondContact O-N 3.11Å; L317-L319 VanDerWaalsContact C-N 3.26Å; L317-L319 PolarHBondContact O-N 3.26Å; L317-P396 HydrophobicContact CD1-CG 3.72Å; L317-L399 HydrophobicContact CD1-CD2 4.03Å
318L95.1Very high95.2Very high10 Ų1015.1 Ų15.15%0.0527%0.073CC..Hα-helixtrans-75.2-17.4178.8-53.9178.7000112.6T190 L194 L207 V212 I217 L291 C315 C316T190-L318 HydrophobicContact CG2-CD2 4.01Å; L194-L318 HydrophobicContact CD2-CD1 4.14Å; L207-L318 HydrophobicContact CD2-CD1 4.08Å; V212-L318 HydrophobicContact CG1-CD2 4.02Å; I217-L318 HydrophobicContact CD1-CD2 3.73Å; I217-L318 HydrophobicContact CG1-CD2 3.99Å; L291-L318 HydrophobicContact CD1-CB 4.12Å; L291-L318 HydrophobicContact CD2-CB 4.03Å; L291-L318 HydrophobicContact CD2-CD1 4.03Å; C315-L318 WeakPolarHBondContact O-CB 3.34Å; C315-L318 PolarHBondContact O-N 3.46Å; C315-L318 VanDerWaalsContact O-N 3.11Å; C316-L318 VanDerWaalsContact C-N 3.29Å
319L95.4Very high95.2Very high0 Ų017 Ų170%08%0.083CC..SBendtrans-64.8147.4-178.8-67.4170.9000111.8N220 L287 T288 L291 F295 C316 L317 R324 L327N220-L319 PolarHBondContact ND2-O 3.38Å; L287-L319 HydrophobicContact CD2-CD1 3.88Å; L287-L319 HydrophobicContact CD2-CD2 4.17Å; T288-L319 HydrophobicContact CG2-CD2 4.5Å; L291-L319 HydrophobicContact CD1-CD2 3.65Å; L291-L319 HydrophobicContact CD1-CG 4.3Å; F295-L319 HydrophobicContact CE2-CD2 4.09Å; F295-L319 HydrophobicContact CZ-CD1 4.37Å; F295-L319 HydrophobicContact CZ-CD2 4.28Å; F295-L319 HydrophobicContact CZ-CG 4.37Å; C316-L319 HydrophobicContact CB-CD1 4.26Å; C316-L319 WeakPolarHBondContact O-CB 3.39Å; C316-L319 PolarHBondContact O-N 3.33Å; L317-L319 VanDerWaalsContact C-N 3.26Å; L317-L319 PolarHBondContact O-N 3.26Å; L319-R324 HydrophobicContact CB-CB 4.19Å; L319-R324 HydrophobicContact CD1-CB 4.43Å; L319-L327 HydrophobicContact CD1-CD2 4.13Å
320P95Very high95.3Very high24 Ų2416.1 Ų16.116%0.1568%0.078CC..  trans-51.2135163.8-24.934.3000110.7F216 T288 E322 N323 R324F216-P320 HydrophobicContact CD2-CB 4.43Å; F216-P320 HydrophobicContact CD2-CG 4.36Å; F216-P320 HydrophobicContact CE2-CB 4.19Å; F216-P320 HydrophobicContact CE2-CG 4.04Å; T288-P320 HydrophobicContact CG2-CG 4.03Å; P320-E322 HydrophobicContact CB-CG 3.97Å; P320-E322 PolarHBondContact O-N 3.07Å; P320-E322 VanDerWaalsContact O-N 3.15Å; P320-N323 HydrophobicContact CB-CB 4.29Å; P320-N323 PolarHBondContact O-N 3.23Å; P320-R324 PolarHBondContact O-N 3.48Å
321P94.8Very high95.3Very high13 Ų1312.6 Ų12.68%0.0846%0.062CC..Hα-helixtrans-54.8-36.9-177-30.936.6000114.3F216 H219 V230 L232 R324 R325F216-P321 HydrophobicContact CD1-CG 4.27Å; H219-P321 HydrophobicContact CB-CG 4.16Å; H219-P321 WeakPolarHBondContact ND1-CB 3.34Å; H219-P321 WeakPolarHBondContact ND1-CG 3.29Å; V230-P321 HydrophobicContact CG1-CB 3.95Å; L232-P321 HydrophobicContact CD2-CB 3.88Å; P321-R324 PolarHBondContact O-N 2.87Å; P321-R325 WeakPolarHBondContact O-CB 3.45Å; P321-R325 PolarHBondContact O-N 2.83Å
322E94.3Very high95.3Very high56 Ų5616.5 Ų16.526%0.2628%0.076SC..Hα-helixtrans-60.2-45.3174.957.9-159.7-121.100112.4L232 K237 P320 K326L232-E322 HydrophobicContact CD1-CB 4.44Å; L232-E322 HydrophobicContact CD2-CB 4.39Å; K237-E322 VanDerWaalsContact CD-OE2 3.32Å; K237-E322 WeakPolarHBondContact CD-OE2 3.4Å; K237-E322 IonicContact NZ-OE2 3.05Å; K237-E322 PolarHBondContact NZ-OE2 2.79Å; P320-E322 HydrophobicContact CB-CG 3.97Å; P320-E322 PolarHBondContact O-N 3.07Å; P320-E322 VanDerWaalsContact O-N 3.15Å; E322-K326 VanDerWaalsContact O-CG 3.26Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.86Å; E322-K326 VanDerWaalsContact O-N 3.07Å
323N95.1Very high95.3Very high16 Ų1616.7 Ų16.79%0.0868%0.077CC..Hα-helixtrans-69.5-42.2178.2-7521.9000111.2L286 P320 R325 K326 L327L286-N323 WeakPolarHBondContact O-CB 3.4Å; L286-N323 PolarHBondContact O-ND2 3.25Å; L286-N323 VanDerWaalsContact O-ND2 3.15Å; P320-N323 HydrophobicContact CB-CB 4.29Å; P320-N323 PolarHBondContact O-N 3.23Å; N323-R325 PolarHBondContact O-N 3.29Å; N323-K326 PolarHBondContact O-N 2.79Å; N323-L327 WeakPolarHBondContact O-CB 3.31Å; N323-L327 PolarHBondContact O-N 3.48Å
324R95.2Very high95.3Very high1 Ų115.6 Ų15.60%0.0047%0.072CC..Hα-helixtrans-61.8-42.5177-169.4176.8-177.9-140.25.7111.7N220 V230 C316 L319 P320 P321 L327 Q328 L393N220-R324 PolarHBondContact O-NH1 3.43Å; N220-R324 WeakPolarHBondContact OD1-CD 3.27Å; V230-R324 HydrophobicContact CG2-CB 4.34Å; V230-R324 HydrophobicContact CG2-CG 3.99Å; C316-R324 VanDerWaalsContact O-CD 3.25Å; C316-R324 WeakPolarHBondContact O-CD 3.49Å; L319-R324 HydrophobicContact CB-CB 4.19Å; L319-R324 HydrophobicContact CD1-CB 4.43Å; P320-R324 PolarHBondContact O-N 3.48Å; P321-R324 PolarHBondContact O-N 2.87Å; R324-L327 PolarHBondContact O-N 3.17Å; R324-Q328 WeakPolarHBondContact O-CB 3.49Å; R324-Q328 VanDerWaalsContact O-CG 3.28Å; R324-Q328 WeakPolarHBondContact O-CG 3.25Å; R324-Q328 PolarHBondContact O-N 3.31Å; R324-L393 PolarHBondContact NH2-O 3.46Å
325R94.9Very high95.2Very high46 Ų4615.8 Ų15.817%0.1747%0.074CC..Hα-helixtrans-61.5-47.7174.6-176.7178.4177.290.2-4.6111.4V229 V230 E238 P321 N323 L327 Q328 L329V229-R325 HydrophobicContact CG1-CG 4.26Å; V230-R325 HydrophobicContact CB-CB 4.26Å; V230-R325 WeakPolarHBondContact O-CD 3.36Å; V230-R325 PolarHBondContact O-NH1 3.4Å; E238-R325 IonicContact OE1-CZ 2.64Å; E238-R325 IonicContact OE1-NE 3.95Å; E238-R325 PolarHBondContact OE1-NE 2.95Å; E238-R325 IonicContact OE1-NH2 3.7Å; E238-R325 PolarHBondContact OE1-NH2 3.15Å; P321-R325 WeakPolarHBondContact O-CB 3.45Å; P321-R325 PolarHBondContact O-N 2.83Å; N323-R325 PolarHBondContact O-N 3.29Å; R325-L327 VanDerWaalsContact C-N 3.35Å; R325-L327 PolarHBondContact O-N 3.39Å; R325-Q328 PolarHBondContact O-N 2.9Å; R325-L329 HydrophobicContact CG-CD1 4.2Å; R325-L329 WeakPolarHBondContact O-CG 3.47Å; R325-L329 PolarHBondContact O-N 3.32Å
326K95.3Very high95.2Very high32 Ų3223 Ų2314%0.13910%0.101CC..Hα-helixtrans-58-46.6177.2-71.7171-175.2170.70111.4L239 L286 E322 N323 Q328 L329 L330L239-K326 HydrophobicContact CD1-CG 4.31Å; L239-K326 HydrophobicContact CD2-CD 4.16Å; L239-K326 HydrophobicContact CD2-CG 3.79Å; L239-K326 HydrophobicContact CG-CG 3.89Å; L286-K326 HydrophobicContact CD2-CB 3.75Å; L286-K326 HydrophobicContact CD2-CD 4.13Å; E322-K326 VanDerWaalsContact O-CG 3.26Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.86Å; E322-K326 VanDerWaalsContact O-N 3.07Å; N323-K326 PolarHBondContact O-N 2.79Å; K326-Q328 PolarHBondContact O-N 3.24Å; K326-L329 PolarHBondContact O-N 2.93Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 3.01Å
327L96.4Very high95Very high0 Ų023 Ų230%010%0.101CC..Hα-helixtrans-59.6-45.9175.9-176.968.1000112L286 L287 L319 N323 R324 R325 L329 L330 M331 I364 L393L286-L327 HydrophobicContact CD1-CB 4.43Å; L286-L327 HydrophobicContact CD1-CD1 4.24Å; L287-L327 HydrophobicContact CD2-CD2 3.71Å; L319-L327 HydrophobicContact CD1-CD2 4.13Å; N323-L327 WeakPolarHBondContact O-CB 3.31Å; N323-L327 PolarHBondContact O-N 3.48Å; R324-L327 PolarHBondContact O-N 3.17Å; R325-L327 VanDerWaalsContact C-N 3.35Å; R325-L327 PolarHBondContact O-N 3.39Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 2.65Å; L327-L330 PolarHBondContact O-N 3.05Å; L327-M331 HydrophobicContact CD1-CE 3.83Å; L327-M331 HydrophobicContact CD1-CG 4.18Å; L327-M331 HydrophobicContact CG-CG 4.33Å; L327-M331 WeakPolarHBondContact O-CB 3.42Å; L327-M331 VanDerWaalsContact O-CG 3.26Å; L327-M331 WeakPolarHBondContact O-CG 3.19Å; L327-M331 PolarHBondContact O-N 2.98Å; L327-I364 HydrophobicContact CD1-CG1 4.27Å; L327-I364 HydrophobicContact CD1-CG2 4.09Å; L327-L393 HydrophobicContact CD2-CD2 4.02Å
328Q95.4Very high94.9Very high2 Ų225.1 Ų25.11%0.00912%0.116CC..Hα-helixtrans-59.2-42.8177.4-77.2176.5-28.800112.8G228 R324 R325 K326 R332 L393G228-Q328 PolarHBondContact O-NE2 3.34Å; R324-Q328 WeakPolarHBondContact O-CB 3.49Å; R324-Q328 VanDerWaalsContact O-CG 3.28Å; R324-Q328 WeakPolarHBondContact O-CG 3.25Å; R324-Q328 PolarHBondContact O-N 3.31Å; R325-Q328 PolarHBondContact O-N 2.9Å; K326-Q328 PolarHBondContact O-N 3.24Å; Q328-R332 WeakPolarHBondContact O-CB 3.27Å; Q328-R332 WeakPolarHBondContact O-CD 3.45Å; Q328-R332 WeakPolarHBondContact O-CG 3.44Å; Q328-R332 PolarHBondContact O-N 3.06Å; Q328-R332 VanDerWaalsContact O-N 3.15Å; Q328-L393 HydrophobicContact CB-CD1 4.36Å; Q328-L393 HydrophobicContact CG-CB 4.02Å; Q328-L393 HydrophobicContact CG-CD1 3.81Å; Q328-L393 HydrophobicContact CG-CD2 4.4Å; Q328-L393 HydrophobicContact CG-CG 4.31Å; Q328-L393 PolarHBondContact NE2-O 2.92Å
329L95.3Very high94.7Very high38 Ų3831.2 Ų31.220%0.19915%0.147CC..Hα-helixtrans-70.3-40.8178.6-65.2174.5000111.5L239 L244 M247 R325 K326 L327 R332 M333L239-L329 HydrophobicContact CD1-CD1 3.84Å; L244-L329 HydrophobicContact CD2-CD1 3.7Å; M247-L329 VanDerWaalsContact CE-C 3.48Å; M247-L329 HydrophobicContact CE-CB 4.07Å; M247-L329 WeakPolarHBondContact CE-O 3.39Å; R325-L329 HydrophobicContact CG-CD1 4.2Å; R325-L329 WeakPolarHBondContact O-CG 3.47Å; R325-L329 PolarHBondContact O-N 3.32Å; K326-L329 PolarHBondContact O-N 2.93Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 2.65Å; L329-R332 PolarHBondContact O-N 3Å; L329-M333 WeakPolarHBondContact O-CB 3.28Å; L329-M333 PolarHBondContact O-N 2.99Å
330L96.6Very high94.4Very high0 Ų033 Ų330%016%0.157CC..Hα-helixtrans-63.2-49.7177.7-177.661.1000111.4M247 Y279 L286 K326 L327 R332 M333 M334 F360 I364M247-L330 HydrophobicContact CE-CB 4.32Å; M247-L330 HydrophobicContact CE-CD1 4.39Å; Y279-L330 HydrophobicContact CD1-CD2 4.18Å; Y279-L330 HydrophobicContact CD2-CD1 4.34Å; Y279-L330 HydrophobicContact CE1-CD2 4.03Å; Y279-L330 HydrophobicContact CE2-CD1 4Å; L286-L330 HydrophobicContact CD1-CD2 3.77Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 3.01Å; L327-L330 PolarHBondContact O-N 3.05Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.05Å; L330-M333 HydrophobicContact CD1-CE 3.83Å; L330-M333 PolarHBondContact O-N 3.01Å; L330-M333 VanDerWaalsContact O-N 3.16Å; L330-M334 HydrophobicContact CD1-CG 4.26Å; L330-M334 HydrophobicContact CD1-SD 4.14Å; L330-M334 HydrophobicContact CD2-SD 4.46Å; L330-M334 HydrophobicContact CG-CG 4.44Å; L330-M334 HydrophobicContact CG-SD 3.82Å; L330-M334 VanDerWaalsContact O-CG 3.31Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.28Å; L330-F360 HydrophobicContact CD1-CD1 3.86Å; L330-F360 HydrophobicContact CD1-CD2 4.19Å; L330-F360 HydrophobicContact CD1-CE1 3.85Å; L330-F360 HydrophobicContact CD1-CE2 4.17Å; L330-F360 HydrophobicContact CD1-CG 4.04Å; L330-F360 HydrophobicContact CD1-CZ 4.02Å; L330-F360 HydrophobicContact CD2-CB 4.32Å; L330-F360 HydrophobicContact CD2-CD1 4.2Å; L330-F360 HydrophobicContact CD2-CG 4.31Å; L330-I364 HydrophobicContact CD2-CD1 4.03Å; L330-I364 HydrophobicContact CD2-CG1 3.99Å
331M95.9Very high94Very high1 Ų141.6 Ų41.61%0.00519%0.192CC..Hα-helixtrans-59.3-41.9177.7-71.8-65.5140.900112L327 M334 A335 I364 V382 L385 M386 Y389 L393L327-M331 HydrophobicContact CD1-CE 3.83Å; L327-M331 HydrophobicContact CD1-CG 4.18Å; L327-M331 HydrophobicContact CG-CG 4.33Å; L327-M331 WeakPolarHBondContact O-CB 3.42Å; L327-M331 VanDerWaalsContact O-CG 3.26Å; L327-M331 WeakPolarHBondContact O-CG 3.19Å; L327-M331 PolarHBondContact O-N 2.98Å; M331-M334 HydrophobicContact CE-SD 4.19Å; M331-A335 VanDerWaalsContact O-CB 3.26Å; M331-A335 WeakPolarHBondContact O-CB 3.31Å; M331-A335 PolarHBondContact O-N 2.96Å; M331-I364 HydrophobicContact CE-CD1 3.29Å; M331-I364 HydrophobicContact CE-CG1 4.22Å; M331-V382 HydrophobicContact CE-CG1 4.46Å; M331-L385 HydrophobicContact CE-CB 4.24Å; M331-L385 HydrophobicContact CE-CD1 4.2Å; M331-L385 HydrophobicContact SD-CB 3.93Å; M331-M386 HydrophobicContact SD-CB 4.48Å; M331-Y389 HydrophobicContact CB-CD2 4.4Å; M331-Y389 HydrophobicContact CB-CG 4.26Å; M331-L393 HydrophobicContact CB-CD1 4.1Å; M331-L393 HydrophobicContact CG-CD1 4.11Å
332R94.8Very high93.6Very high82 Ų8247.2 Ų47.231%0.30922%0.217SC..Hα-helixtrans-62.8-44.3175.8-76.9172-174.7-150.1-0.9112.2Q227 V229 Q328 L329 L330 R336 Y389Q227-R332 PolarHBondContact O-NH2 2.8Å; V229-R332 VanDerWaalsContact CG2-NH2 3.33Å; Q328-R332 WeakPolarHBondContact O-CB 3.27Å; Q328-R332 WeakPolarHBondContact O-CD 3.45Å; Q328-R332 WeakPolarHBondContact O-CG 3.44Å; Q328-R332 PolarHBondContact O-N 3.06Å; Q328-R332 VanDerWaalsContact O-N 3.15Å; L329-R332 PolarHBondContact O-N 3Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.05Å; R332-R336 VanDerWaalsContact O-CB 3.28Å; R332-R336 WeakPolarHBondContact O-CB 3.41Å; R332-R336 WeakPolarHBondContact O-CG 3.31Å; R332-R336 PolarHBondContact O-N 3.36Å; R332-Y389 HydrophobicContact CG-CD2 4.26Å; R332-Y389 HydrophobicContact CG-CE2 3.76Å
333M95.2Very high93.3Very high4 Ų445.5 Ų45.52%0.0221%0.209CC..Hα-helixtrans-62.7-52.3177.5-178.8-160.676.800110.6M247 A251 I275 L329 L330 A335 R336 I337 F360M247-M333 HydrophobicContact CB-CG 4.32Å; M247-M333 HydrophobicContact CB-SD 3.76Å; M247-M333 HydrophobicContact CE-CB 3.89Å; M247-M333 HydrophobicContact CE-CG 4.45Å; M247-M333 HydrophobicContact CE-SD 3.87Å; M247-M333 HydrophobicContact CG-SD 3.58Å; M247-M333 VanDerWaalsContact CG-SD 3.58Å; A251-M333 HydrophobicContact CB-CG 4.43Å; I275-M333 HydrophobicContact CD1-SD 3.99Å; I275-M333 HydrophobicContact CG2-CE 4.25Å; I275-M333 HydrophobicContact CG2-SD 4.29Å; L329-M333 WeakPolarHBondContact O-CB 3.28Å; L329-M333 PolarHBondContact O-N 2.99Å; L330-M333 HydrophobicContact CD1-CE 3.83Å; L330-M333 PolarHBondContact O-N 3.01Å; L330-M333 VanDerWaalsContact O-N 3.16Å; M333-A335 VanDerWaalsContact C-N 3.33Å; M333-A335 PolarHBondContact O-N 3.33Å; M333-R336 PolarHBondContact O-N 2.93Å; M333-I337 HydrophobicContact CE-CD1 4.2Å; M333-I337 HydrophobicContact CG-CD1 3.67Å; M333-I337 HydrophobicContact CG-CG1 4.35Å; M333-I337 VanDerWaalsContact O-CG1 3.28Å; M333-I337 WeakPolarHBondContact O-CG1 3.27Å; M333-I337 PolarHBondContact O-N 2.92Å; M333-I337 HydrophobicContact SD-CD1 4.23Å; M333-F360 HydrophobicContact CE-CE2 3.87Å; M333-F360 HydrophobicContact CE-CZ 3.86Å
334M95.6Very high93Very high0 Ų046.5 Ų46.50%022%0.217CC..Hα-helixtrans-55.7-47.6179.3-68.91697000111.5L330 M331 I337 C338 M356 F360 V382 M386L330-M334 HydrophobicContact CD1-CG 4.26Å; L330-M334 HydrophobicContact CD1-SD 4.14Å; L330-M334 HydrophobicContact CD2-SD 4.46Å; L330-M334 HydrophobicContact CG-CG 4.44Å; L330-M334 HydrophobicContact CG-SD 3.82Å; L330-M334 VanDerWaalsContact O-CG 3.31Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.28Å; M331-M334 HydrophobicContact CE-SD 4.19Å; M334-I337 PolarHBondContact O-N 3.44Å; M334-C338 WeakPolarHBondContact O-CB 3.39Å; M334-C338 PolarHBondContact O-N 3.22Å; M334-C338 PolarHBondContact O-SG 2.67Å; M334-M356 HydrophobicContact CB-SD 4.37Å; M334-M356 HydrophobicContact CE-CB 3.89Å; M334-M356 HydrophobicContact CG-CB 4.42Å; M334-M356 HydrophobicContact CG-SD 4.03Å; M334-F360 HydrophobicContact CE-CB 4.21Å; M334-F360 HydrophobicContact CE-CD2 4.07Å; M334-F360 HydrophobicContact CG-CD2 3.91Å; M334-F360 HydrophobicContact CG-CE2 4.18Å; M334-F360 HydrophobicContact SD-CB 4.12Å; M334-F360 HydrophobicContact SD-CD2 3.78Å; M334-F360 HydrophobicContact SD-CG 4.19Å; M334-V382 HydrophobicContact CE-CG1 3.78Å; M334-M386 HydrophobicContact CB-SD 4.09Å; M334-M386 HydrophobicContact CE-SD 4.05Å
335A94.3Very high92.6Very high6 Ų650.2 Ų50.25%0.0524%0.241CC..Hα-helixtrans-63.9-43.8178.300000112.2M331 M333 C338 L339 Y389M331-A335 VanDerWaalsContact O-CB 3.26Å; M331-A335 WeakPolarHBondContact O-CB 3.31Å; M331-A335 PolarHBondContact O-N 2.96Å; M333-A335 VanDerWaalsContact C-N 3.33Å; M333-A335 PolarHBondContact O-N 3.33Å; A335-C338 PolarHBondContact O-N 2.99Å; A335-L339 WeakPolarHBondContact O-CB 3.44Å; A335-L339 WeakPolarHBondContact O-CG 3.38Å; A335-L339 PolarHBondContact O-N 2.84Å; A335-Y389 HydrophobicContact CB-CD1 3.99Å; A335-Y389 HydrophobicContact CB-CE1 3.43Å; A335-Y389 VanDerWaalsContact CB-CE1 3.43Å
336R93.1Very high92.2Very high151 Ų15148.5 Ų48.557%0.5724%0.235SC*.Hα-helixtrans-61.9-44.3177.8-75.8-79.5-176.9167.81.1111.9A251 R332 M333 L339 N340A251-R336 HydrophobicContact CB-CB 4.01Å; A251-R336 HydrophobicContact CB-CG 4.43Å; R332-R336 VanDerWaalsContact O-CB 3.28Å; R332-R336 WeakPolarHBondContact O-CB 3.41Å; R332-R336 WeakPolarHBondContact O-CG 3.31Å; R332-R336 PolarHBondContact O-N 3.36Å; M333-R336 PolarHBondContact O-N 2.93Å; R336-L339 PolarHBondContact O-N 2.86Å; R336-N340 WeakPolarHBondContact O-CB 3.46Å; R336-N340 PolarHBondContact O-N 2.76Å; R336-N340 VanDerWaalsContact O-N 3.08Å
337I92.8Very high91.8Very high1 Ų149.1 Ų49.11%0.00524%0.243CC..Hα-helixtrans-63.3-44.9177.7-65.1168.4000110.4L250 M333 M334 L339 N340 M343 L346 T352 M356L250-I337 HydrophobicContact CB-CD1 3.69Å; L250-I337 HydrophobicContact CB-CG1 4.08Å; L250-I337 HydrophobicContact CD1-CD1 4.15Å; M333-I337 HydrophobicContact CE-CD1 4.2Å; M333-I337 HydrophobicContact CG-CD1 3.67Å; M333-I337 HydrophobicContact CG-CG1 4.35Å; M333-I337 VanDerWaalsContact O-CG1 3.28Å; M333-I337 WeakPolarHBondContact O-CG1 3.27Å; M333-I337 PolarHBondContact O-N 2.92Å; M333-I337 HydrophobicContact SD-CD1 4.23Å; M334-I337 PolarHBondContact O-N 3.44Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.26Å; I337-N340 PolarHBondContact O-N 3.3Å; I337-M343 HydrophobicContact CG2-CG 4.01Å; I337-M343 HydrophobicContact CG2-SD 4.35Å; I337-L346 HydrophobicContact CG2-CD1 4.11Å; I337-T352 HydrophobicContact CG2-CG2 3.67Å; I337-M356 HydrophobicContact CB-CE 4.22Å; I337-M356 HydrophobicContact CD1-CE 3.86Å; I337-M356 HydrophobicContact CD1-SD 4.29Å; I337-M356 HydrophobicContact CG2-CE 3.64Å
338C92.1Very high91Very high45 Ų4555.3 Ų55.330%0.30428%0.276SS..Hα-helixtrans-65.9-30.5179.7-67.90000113.6M334 A335M334-C338 WeakPolarHBondContact O-CB 3.39Å; M334-C338 PolarHBondContact O-N 3.22Å; M334-C338 PolarHBondContact O-SG 2.67Å; A335-C338 PolarHBondContact O-N 2.99Å
339L91.1Very high90.2Very high138 Ų13858.8 Ų58.872%0.72331%0.312SS*.Hα-helixtrans-85.8-13.2178.8-67.8170.8000113A335 R336 I337 K341A335-L339 WeakPolarHBondContact O-CB 3.44Å; A335-L339 WeakPolarHBondContact O-CG 3.38Å; A335-L339 PolarHBondContact O-N 2.84Å; R336-L339 PolarHBondContact O-N 2.86Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.26Å; L339-K341 PolarHBondContact O-N 3.02Å
340N90Very high89.5Confident36 Ų3662 Ų6219%0.19333%0.325CS..  trans-82.8116.5-176.2-170.6-4.1000111.4W253 R336 I337 E342 M343W253-N340 PolarHBondContact O-ND2 3.47Å; R336-N340 WeakPolarHBondContact O-CB 3.46Å; R336-N340 PolarHBondContact O-N 2.76Å; R336-N340 VanDerWaalsContact O-N 3.08Å; I337-N340 PolarHBondContact O-N 3.3Å; N340-E342 VanDerWaalsContact C-N 3.35Å; N340-E342 PolarHBondContact OD1-N 3.39Å; N340-M343 HydrophobicContact CB-CB 4.1Å
341K86.2Confident89.1Confident206 Ų20664.2 Ų64.290%0.89635%0.348SS*.THydrogen-bonded Turntrans-77-21.6178.8-62.9-177.9-179.4179.60113.4L339 M343L339-K341 PolarHBondContact O-N 3.02Å; K341-M343 VanDerWaalsContact C-N 3.29Å
342E86.9Confident88.8Confident131 Ų13166 Ų6661%0.61236%0.359SS*.THydrogen-bonded Turntrans-87-4.5179.5-58.8-172.4107.800112.3W253 N340 P344W253-E342 PolarHBondContact NE1-O 2.63Å; N340-E342 VanDerWaalsContact C-N 3.35Å; N340-E342 PolarHBondContact OD1-N 3.39Å; E342-P344 VanDerWaalsContact O-CD 3.29Å; E342-P344 WeakPolarHBondContact O-CD 3.42Å
343M87.9Confident88.7Confident19 Ų1966.9 Ų66.99%0.09436%0.362CS..PPolyproline II helixtrans-73.3119.8179.4-170.276.8-142.400110.5L250 W253 E268 I337 N340 K341 L346L250-M343 HydrophobicContact CD2-CE 4.17Å; W253-M343 HydrophobicContact CB-SD 3.78Å; W253-M343 HydrophobicContact CD2-CE 4.43Å; W253-M343 HydrophobicContact CD2-SD 4.35Å; W253-M343 HydrophobicContact CG-CE 4.44Å; W253-M343 HydrophobicContact CG-SD 3.77Å; E268-M343 HydrophobicContact CB-CE 3.67Å; E268-M343 HydrophobicContact CG-CE 4.01Å; I337-M343 HydrophobicContact CG2-CG 4.01Å; I337-M343 HydrophobicContact CG2-SD 4.35Å; N340-M343 HydrophobicContact CB-CB 4.1Å; K341-M343 VanDerWaalsContact C-N 3.29Å; M343-L346 HydrophobicContact CE-CD1 4.44Å; M343-L346 HydrophobicContact CE-CD2 3.5Å; M343-L346 VanDerWaalsContact CE-CD2 3.5Å; M343-L346 HydrophobicContact CE-CG 4.02Å
344P87.3Confident88.6Confident38 Ų3869.9 Ų69.925%0.24738%0.381CS..PPolyproline II helixtrans-67.2159.6172.627.5-35.3000111.9W253 E268 E342 L346W253-P344 HydrophobicContact CZ2-CG 4.22Å; W253-P344 VanDerWaalsContact NE1-CD 3.27Å; E268-P344 HydrophobicContact CG-CG 3.81Å; E342-P344 VanDerWaalsContact O-CD 3.29Å; E342-P344 WeakPolarHBondContact O-CD 3.42Å; P344-L346 PolarHBondContact O-N 3.07Å
345P87.3Confident88.5Confident79 Ų7970.7 Ų70.751%0.51339%0.385SS..PPolyproline II helixtrans-64.4118.6179.626-33.3000111.1K269 C347K269-P345 WeakPolarHBondContact CE-O 3.29Å; P345-C347 VanDerWaalsContact C-N 3.31Å; P345-C347 PolarHBondContact O-N 3.32Å
346L87.6Confident88.5Confident10 Ų1070.4 Ų70.45%0.05238%0.383CS..SBendtrans-73.6-21.6-179-70.4173.3000113.4E268 F272 I337 M343 P344 L355 M356E268-L346 HydrophobicContact CB-CD2 4.02Å; E268-L346 HydrophobicContact CG-CD2 3.8Å; F272-L346 HydrophobicContact CB-CD1 4.34Å; F272-L346 HydrophobicContact CB-CD2 3.93Å; F272-L346 HydrophobicContact CD2-CD1 3.81Å; F272-L346 HydrophobicContact CE2-CD1 4.26Å; F272-L346 HydrophobicContact CG-CD1 3.97Å; F272-L346 HydrophobicContact CG-CD2 4.36Å; I337-L346 HydrophobicContact CG2-CD1 4.11Å; M343-L346 HydrophobicContact CE-CD1 4.44Å; M343-L346 HydrophobicContact CE-CD2 3.5Å; M343-L346 VanDerWaalsContact CE-CD2 3.5Å; M343-L346 HydrophobicContact CE-CG 4.02Å; P344-L346 PolarHBondContact O-N 3.07Å; L346-L355 HydrophobicContact CB-CD2 3.53Å; L346-L355 HydrophobicContact CD1-CD2 4.49Å; L346-M356 HydrophobicContact CD1-CE 3.37Å
347C86.9Confident88.6Confident44 Ų4463.6 Ų63.630%0.29736%0.358SS..SBendtrans-145.2136.1176.8-174.90000109.7P345 G349 L355P345-C347 VanDerWaalsContact C-N 3.31Å; P345-C347 PolarHBondContact O-N 3.32Å; C347-G349 PolarHBondContact O-N 2.97Å; C347-L355 HydrophobicContact CB-CD1 3.9Å; C347-L355 HydrophobicContact CB-CD2 3.69Å; C347-L355 HydrophobicContact CB-CG 4.39Å
348D78.4Confident88.6Confident130 Ų13068 Ų6870%0.69538%0.378SS*.THydrogen-bonded Turntrans-82.596.8180-52.1-48.8000108.3K269K269-D348 IonicContact NZ-OD1 2.79Å; K269-D348 PolarHBondContact NZ-OD1 3.44Å; K269-D348 VanDerWaalsContact NZ-OD1 3.11Å; K269-D348 IonicContact NZ-OD2 3.92Å; K269-D348 PolarHBondContact NZ-OD2 3.42Å
349G78.1Confident88.7Confident75 Ų7568.1 Ų68.177%0.77338%0.378SS*.THydrogen-bonded Turntrans137.7-19.4176.400000115.6C347C347-G349 PolarHBondContact O-N 2.97Å
350F81.2Confident88.9Confident106 Ų10661.6 Ų61.647%0.46534%0.344SS..SBendtrans-120.2141.7177.7-62.9-80.5000111.1T354 L355F350-T354 HydrophobicContact CD1-CG2 4.17Å; F350-L355 HydrophobicContact CB-CB 4.4Å
351G87.9Confident89Confident47 Ų4760.1 Ų60.149%0.48534%0.336SS..  trans-63.2144166.800000110.5R353 T354 L355G351-R353 PolarHBondContact O-N 3.25Å; G351-T354 PolarHBondContact O-N 2.9Å; G351-L355 PolarHBondContact O-N 3.22Å
352T90.9Very high89.3Confident38 Ų3857.8 Ų57.823%0.23332%0.322CS..Hα-helixtrans-48.3-41.5-177.8-51.10000112.5I337 L355 M356I337-T352 HydrophobicContact CG2-CG2 3.67Å; T352-L355 PolarHBondContact O-N 2.72Å; T352-M356 HydrophobicContact CG2-CE 4.26Å; T352-M356 VanDerWaalsContact O-CG 3.22Å; T352-M356 WeakPolarHBondContact O-CG 3.31Å; T352-M356 PolarHBondContact O-N 2.98Å
353R91.9Very high89.6Confident100 Ų10052 Ų5238%0.37730%0.296SS..Hα-helixtrans-61.9-48.5177.8-165.8-176.9-174.4-89.14.1112.8G351 L355 M356 V357 T383 M386 D387G351-R353 PolarHBondContact O-N 3.25Å; R353-L355 VanDerWaalsContact C-N 3.32Å; R353-M356 PolarHBondContact O-N 3.47Å; R353-V357 WeakPolarHBondContact O-CG2 3.46Å; R353-V357 PolarHBondContact O-N 3.04Å; R353-V357 VanDerWaalsContact O-N 3.12Å; R353-T383 VanDerWaalsContact NH2-CG2 3.29Å; R353-M386 HydrophobicContact CG-CE 3.48Å; R353-M386 VanDerWaalsContact CG-CE 3.48Å; R353-D387 IonicContact CZ-OD1 3.22Å; R353-D387 IonicContact NE-OD1 3.58Å; R353-D387 IonicContact NH2-OD1 3.3Å; R353-D387 PolarHBondContact NH2-OD1 3.27Å; R353-D387 IonicContact NH2-OD2 3.08Å; R353-D387 PolarHBondContact NH2-OD2 2.66Å
354T92.8Very high89.9Confident68 Ų6851.1 Ų51.142%0.41729%0.291SS..Hα-helixtrans-63.4-42.3179.3-54.80000110.6F350 G351 V357 Q358F350-T354 HydrophobicContact CD1-CG2 4.17Å; G351-T354 PolarHBondContact O-N 2.9Å; T354-V357 PolarHBondContact O-N 2.86Å; T354-Q358 HydrophobicContact CG2-CG 4.32Å; T354-Q358 WeakPolarHBondContact O-CB 3.45Å; T354-Q358 WeakPolarHBondContact O-CG 3.48Å; T354-Q358 PolarHBondContact O-N 3.44Å
355L93.9Very high90.1Very high16 Ų1649.5 Ų49.58%0.08428%0.281CS..Hα-helixtrans-58.5-49.5175.5-177.768000111.2F272 L346 C347 F350 G351 T352 R353 V357 Q358 T359F272-L355 HydrophobicContact CD1-CD2 4.45Å; F272-L355 HydrophobicContact CE1-CD1 4.32Å; F272-L355 HydrophobicContact CE1-CD2 3.8Å; F272-L355 HydrophobicContact CE1-CG 4Å; F272-L355 HydrophobicContact CZ-CD2 4.01Å; F272-L355 HydrophobicContact CZ-CG 3.95Å; L346-L355 HydrophobicContact CB-CD2 3.53Å; L346-L355 HydrophobicContact CD1-CD2 4.49Å; C347-L355 HydrophobicContact CB-CD1 3.9Å; C347-L355 HydrophobicContact CB-CD2 3.69Å; C347-L355 HydrophobicContact CB-CG 4.39Å; F350-L355 HydrophobicContact CB-CB 4.4Å; G351-L355 PolarHBondContact O-N 3.22Å; T352-L355 PolarHBondContact O-N 2.72Å; R353-L355 VanDerWaalsContact C-N 3.32Å; L355-V357 VanDerWaalsContact C-N 3.34Å; L355-V357 PolarHBondContact O-N 3.43Å; L355-Q358 PolarHBondContact O-N 2.96Å; L355-T359 VanDerWaalsContact O-CB 3.28Å; L355-T359 WeakPolarHBondContact O-CB 3.23Å; L355-T359 PolarHBondContact O-N 3.32Å; L355-T359 PolarHBondContact O-OG1 3.5Å
356M94.9Very high90.1Very high0 Ų047 Ų470%027%0.265CS..Hα-helixtrans-56.5-47.8178.4-68.9-67.9144.700112F272 M334 I337 L346 T352 R353 F360F272-M356 HydrophobicContact CD2-CE 3.84Å; F272-M356 HydrophobicContact CE2-CE 3.33Å; F272-M356 HydrophobicContact CE2-SD 3.82Å; F272-M356 HydrophobicContact CZ-CE 4.09Å; M334-M356 HydrophobicContact CB-SD 4.37Å; M334-M356 HydrophobicContact CE-CB 3.89Å; M334-M356 HydrophobicContact CG-CB 4.42Å; M334-M356 HydrophobicContact CG-SD 4.03Å; I337-M356 HydrophobicContact CB-CE 4.22Å; I337-M356 HydrophobicContact CD1-CE 3.86Å; I337-M356 HydrophobicContact CD1-SD 4.29Å; I337-M356 HydrophobicContact CG2-CE 3.64Å; L346-M356 HydrophobicContact CD1-CE 3.37Å; T352-M356 HydrophobicContact CG2-CE 4.26Å; T352-M356 VanDerWaalsContact O-CG 3.22Å; T352-M356 WeakPolarHBondContact O-CG 3.31Å; T352-M356 PolarHBondContact O-N 2.98Å; R353-M356 PolarHBondContact O-N 3.47Å; M356-F360 WeakPolarHBondContact O-CD2 3.24Å; M356-F360 PolarHBondContact O-N 3.42Å; M356-F360 VanDerWaalsContact O-N 3.14Å; M356-F360 HydrophobicContact SD-CD2 4.41Å; M356-F360 HydrophobicContact SD-CE2 3.93Å
357V94.7Very high90Very high9 Ų948 Ų486%0.05527%0.273CS..Hα-helixtrans-64.9-47.5-179173.90000110.9R353 T354 L355 S361 A379 V382 M386R353-V357 WeakPolarHBondContact O-CG2 3.46Å; R353-V357 PolarHBondContact O-N 3.04Å; R353-V357 VanDerWaalsContact O-N 3.12Å; T354-V357 PolarHBondContact O-N 2.86Å; L355-V357 VanDerWaalsContact C-N 3.34Å; L355-V357 PolarHBondContact O-N 3.43Å; V357-S361 WeakPolarHBondContact O-CA 3.2Å; V357-S361 WeakPolarHBondContact O-CB 3.17Å; V357-S361 PolarHBondContact O-N 2.67Å; V357-S361 PolarHBondContact O-OG 2.92Å; V357-A379 HydrophobicContact CG1-CB 3.9Å; V357-A379 WeakPolarHBondContact CG1-O 3.01Å; V357-V382 HydrophobicContact CG1-CG1 4.45Å; V357-V382 HydrophobicContact CG2-CG1 4.42Å; V357-M386 HydrophobicContact CG2-CE 4.05Å
358Q92.3Very high89.6Confident93 Ų9353.6 Ų53.644%0.43529%0.292SS..Hα-helixtrans-64-47.6-179.3-74.4-179.4-29.600111.5T354 L355 F360 S361T354-Q358 HydrophobicContact CG2-CG 4.32Å; T354-Q358 WeakPolarHBondContact O-CB 3.45Å; T354-Q358 WeakPolarHBondContact O-CG 3.48Å; T354-Q358 PolarHBondContact O-N 3.44Å; L355-Q358 PolarHBondContact O-N 2.96Å; Q358-F360 PolarHBondContact O-N 2.81Å; Q358-S361 PolarHBondContact O-OG 2.88Å
359T93.8Very high89.4Confident48 Ų4852.9 Ų52.929%0.29429%0.288SS..Hα-helixtrans-62.8-41.3-177.7-59.60000113.1F272 A276 L355F272-T359 HydrophobicContact CE1-CG2 4.34Å; F272-T359 HydrophobicContact CZ-CG2 3.9Å; A276-T359 HydrophobicContact CB-CG2 3.49Å; A276-T359 VanDerWaalsContact CB-CG2 3.49Å; L355-T359 VanDerWaalsContact O-CB 3.28Å; L355-T359 WeakPolarHBondContact O-CB 3.23Å; L355-T359 PolarHBondContact O-N 3.32Å; L355-T359 PolarHBondContact O-OG1 3.5Å
360F95.6Very high88.6Confident1 Ų157 Ų570%0.00429%0.287CS..Hα-helixtrans-101.7-5.5-173.7-62.2-64.2000114.6F272 I275 Y279 L330 M333 M334 M356 Q358 R362 C363 I364F272-F360 AromaticContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CE2 3.86Å; F272-F360 HydrophobicContact CE2-CZ 4.1Å; F272-F360 HydrophobicContact CZ-CE2 4.36Å; I275-F360 HydrophobicContact CG2-CE1 4.26Å; I275-F360 HydrophobicContact CG2-CZ 4.08Å; Y279-F360 HydrophobicContact CD2-CD1 4.47Å; Y279-F360 AromaticContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CD2-CE1 3.95Å; Y279-F360 HydrophobicContact CG-CD1 4.37Å; Y279-F360 HydrophobicContact CG-CE1 4.26Å; L330-F360 HydrophobicContact CD1-CD1 3.86Å; L330-F360 HydrophobicContact CD1-CD2 4.19Å; L330-F360 HydrophobicContact CD1-CE1 3.85Å; L330-F360 HydrophobicContact CD1-CE2 4.17Å; L330-F360 HydrophobicContact CD1-CG 4.04Å; L330-F360 HydrophobicContact CD1-CZ 4.02Å; L330-F360 HydrophobicContact CD2-CB 4.32Å; L330-F360 HydrophobicContact CD2-CD1 4.2Å; L330-F360 HydrophobicContact CD2-CG 4.31Å; M333-F360 HydrophobicContact CE-CE2 3.87Å; M333-F360 HydrophobicContact CE-CZ 3.86Å; M334-F360 HydrophobicContact CE-CB 4.21Å; M334-F360 HydrophobicContact CE-CD2 4.07Å; M334-F360 HydrophobicContact CG-CD2 3.91Å; M334-F360 HydrophobicContact CG-CE2 4.18Å; M334-F360 HydrophobicContact SD-CB 4.12Å; M334-F360 HydrophobicContact SD-CD2 3.78Å; M334-F360 HydrophobicContact SD-CG 4.19Å; M356-F360 WeakPolarHBondContact O-CD2 3.24Å; M356-F360 PolarHBondContact O-N 3.42Å; M356-F360 VanDerWaalsContact O-N 3.14Å; M356-F360 HydrophobicContact SD-CD2 4.41Å; M356-F360 HydrophobicContact SD-CE2 3.93Å; Q358-F360 PolarHBondContact O-N 2.81Å; F360-R362 PolarHBondContact O-N 3.15Å; F360-C363 PolarHBondContact O-N 3.22Å; F360-C363 PolarHBondContact O-SG 2.72Å; F360-I364 HydrophobicContact CB-CD1 3.95Å; F360-I364 WeakPolarHBondContact O-CD1 3.11Å; F360-I364 VanDerWaalsContact O-CG1 3.31Å; F360-I364 WeakPolarHBondContact O-CG1 3.3Å; F360-I364 PolarHBondContact O-N 3.39Å; F360-I364 VanDerWaalsContact O-N 3.14Å
361S93.5Very high87.8Confident4 Ų455.8 Ų55.83%0.02829%0.288CS..Hα-helixtrans-49.5-55.8178.956.40000112.5V357 Q358 C363 I364 L365V357-S361 WeakPolarHBondContact O-CA 3.2Å; V357-S361 WeakPolarHBondContact O-CB 3.17Å; V357-S361 PolarHBondContact O-N 2.67Å; V357-S361 PolarHBondContact O-OG 2.92Å; Q358-S361 PolarHBondContact O-OG 2.88Å; S361-C363 PolarHBondContact O-N 2.76Å; S361-I364 PolarHBondContact O-N 3.24Å; S361-L365 PolarHBondContact O-N 3.01Å; S361-L365 VanDerWaalsContact O-O 3.12Å
362R90.8Very high86.4Confident158 Ų15861 Ų6160%0.59631%0.305SS*.Hα-helixtrans-67.9-30.4-174.5-171.2172.3172.9142.61.3113.9F360 C366 E370F360-R362 PolarHBondContact O-N 3.15Å; R362-C366 HydrophobicContact CG-CB 4.26Å; R362-C366 WeakPolarHBondContact O-CB 3.49Å; R362-C366 PolarHBondContact O-SG 2.95Å; R362-E370 IonicContact CZ-OE1 3.78Å; R362-E370 IonicContact NH1-OE1 2.85Å; R362-E370 IonicContact NH2-OE1 2.77Å; R362-E370 PolarHBondContact NH2-OE1 3.15Å
363C93Very high85Confident10 Ų1064.5 Ų64.57%0.06832%0.321CS..Hα-helixtrans-80.5-20.9176.876.40000112.4Y279 P285 L286 F360 S361Y279-C363 VanDerWaalsContact O-CB 3.29Å; Y279-C363 WeakPolarHBondContact O-CB 3.16Å; P285-C363 CarbonylContact C-O 3.57Å; P285-C363 VanDerWaalsContact CA-O 3.29Å; P285-C363 WeakPolarHBondContact CA-O 3.22Å; L286-C363 PolarHBondContact N-O 2.92Å; F360-C363 PolarHBondContact O-N 3.22Å; F360-C363 PolarHBondContact O-SG 2.72Å; S361-C363 PolarHBondContact O-N 2.76Å
364I94.8Very high84Confident0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-86.2-52.1177.5-67.1160.1000110L286 L287 L327 L330 M331 F360 S361 L381 V382 L385L286-I364 HydrophobicContact CD1-CG1 4.19Å; L287-I364 VanDerWaalsContact CB-O 3.27Å; L287-I364 WeakPolarHBondContact CB-O 3.34Å; L287-I364 HydrophobicContact CD1-CG2 3.81Å; L287-I364 HydrophobicContact CG-CG2 3.93Å; L287-I364 WeakPolarHBondContact CG-O 3.29Å; L287-I364 PolarHBondContact N-O 3.28Å; L327-I364 HydrophobicContact CD1-CG1 4.27Å; L327-I364 HydrophobicContact CD1-CG2 4.09Å; L330-I364 HydrophobicContact CD2-CD1 4.03Å; L330-I364 HydrophobicContact CD2-CG1 3.99Å; M331-I364 HydrophobicContact CE-CD1 3.29Å; M331-I364 HydrophobicContact CE-CG1 4.22Å; F360-I364 HydrophobicContact CB-CD1 3.95Å; F360-I364 WeakPolarHBondContact O-CD1 3.11Å; F360-I364 VanDerWaalsContact O-CG1 3.31Å; F360-I364 WeakPolarHBondContact O-CG1 3.3Å; F360-I364 PolarHBondContact O-N 3.39Å; F360-I364 VanDerWaalsContact O-N 3.14Å; S361-I364 PolarHBondContact O-N 3.24Å; I364-L381 HydrophobicContact CG2-CD2 4.34Å; I364-V382 HydrophobicContact CB-CG2 3.83Å; I364-V382 HydrophobicContact CD1-CB 4.37Å; I364-V382 HydrophobicContact CD1-CG1 3.84Å; I364-V382 HydrophobicContact CD1-CG2 3.55Å; I364-V382 HydrophobicContact CG1-CG2 4.3Å; I364-V382 HydrophobicContact CG2-CG2 3.83Å; I364-L385 HydrophobicContact CG2-CD1 4.2Å
365L92Very high83.5Confident4 Ų464 Ų642%0.02132%0.32CS..SBendtrans-134.9122.2-179.6-171.782.9000109.4L287 F292 F295 V296 S361 A378 L381L287-L365 HydrophobicContact CB-CD1 4.38Å; L287-L365 HydrophobicContact CD1-CB 4.34Å; L287-L365 HydrophobicContact CD1-CD1 3.97Å; F292-L365 HydrophobicContact CD2-CD1 3.6Å; F292-L365 HydrophobicContact CD2-CD2 4.41Å; F292-L365 HydrophobicContact CD2-CG 3.81Å; F292-L365 HydrophobicContact CE2-CD1 4.06Å; F292-L365 HydrophobicContact CE2-CD2 4.02Å; F292-L365 HydrophobicContact CE2-CG 3.79Å; F292-L365 HydrophobicContact CG-CD1 4.49Å; F295-L365 HydrophobicContact CB-CD1 4.1Å; V296-L365 HydrophobicContact CG2-CD2 4.41Å; S361-L365 PolarHBondContact O-N 3.01Å; S361-L365 VanDerWaalsContact O-O 3.12Å; L365-A378 HydrophobicContact CB-CB 4.09Å; L365-A378 HydrophobicContact CD2-CB 4.17Å; L365-A378 WeakPolarHBondContact O-CB 3.4Å; L365-L381 HydrophobicContact CD2-CB 4.49Å; L365-L381 HydrophobicContact CD2-CD1 4.05Å
366C88Confident83.2Confident27 Ų2769.4 Ų69.418%0.18235%0.348CS..  trans-147146.8166.361.10000109.4P285 F292 R362P285-C366 VanDerWaalsContact CD-SG 3.57Å; P285-C366 VanDerWaalsContact CG-SG 3.53Å; F292-C366 WeakPolarHBondContact CD2-O 3.14Å; R362-C366 HydrophobicContact CG-CB 4.26Å; R362-C366 WeakPolarHBondContact O-CB 3.49Å; R362-C366 PolarHBondContact O-SG 2.95Å
367S84.4Confident82.9Confident31 Ų3171.6 Ų71.622%0.21736%0.359CS..  trans-71.5159.7167.7-177.70000109.8D369 D374S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 WeakPolarHBondContact CB-O 3.32Å; S367-D369 PolarHBondContact OG-N 3.17Å; S367-D369 PolarHBondContact OG-O 2.75Å; S367-D374 WeakPolarHBondContact CB-OD2 3.47Å
368K79.7Confident82.7Confident161 Ų16171.3 Ų71.370%0.736%0.358SS*.SBendtrans-69.9-31.7171.8-172.3177.2179.4-177.30111.7F289F289-K368 HydrophobicContact CD1-CB 3.99Å; F289-K368 HydrophobicContact CE1-CB 4.28Å; F289-K368 HydrophobicContact CG-CB 4.35Å
369D73.9Confident82.7Confident115 Ų11568.1 Ų68.162%0.61535%0.348SS*.SBendtrans-98.2126.8176.7-58.5-41000108S367 V371S367-D369 VanDerWaalsContact C-N 3.29Å; S367-D369 WeakPolarHBondContact CB-O 3.32Å; S367-D369 PolarHBondContact OG-N 3.17Å; S367-D369 PolarHBondContact OG-O 2.75Å; D369-V371 HydrophobicContact CB-CG2 4.43Å; D369-V371 PolarHBondContact O-N 3.15Å
370E61Low82.7Confident161 Ų16171.7 Ų71.775%0.75236%0.356SS*.  trans-70.299-178.7-64.9-156.3166.600110.6R362R362-E370 IonicContact CZ-OE1 3.78Å; R362-E370 IonicContact NH1-OE1 2.85Å; R362-E370 IonicContact NH2-OE1 2.77Å; R362-E370 PolarHBondContact NH2-OE1 3.15Å
371V64.9Low82.7Confident80 Ų8071.6 Ų71.649%0.48536%0.355SS..  trans-117.7131.6176.5-170.10000109.8D369 L373 D374D369-V371 HydrophobicContact CB-CG2 4.43Å; D369-V371 PolarHBondContact O-N 3.15Å; V371-L373 HydrophobicContact CG1-CB 4.41Å; V371-L373 PolarHBondContact O-N 3.07Å; V371-D374 WeakPolarHBondContact O-CB 3.39Å; V371-D374 PolarHBondContact O-N 2.97Å
372D57.4Low82.7Confident156 Ų15671.4 Ų71.483%0.83435%0.354SS*.THydrogen-bonded Turntrans-58.7-22.8-176.7-62.4-38.4000114.3D374D372-D374 PolarHBondContact O-N 3.08Å
373L61.2Low82.9Confident112 Ų11265.7 Ų65.759%0.58634%0.337SS*.Hα-helixtrans-71.2-21.5179.2-170.561000112.7V371 E375 L377V371-L373 HydrophobicContact CG1-CB 4.41Å; V371-L373 PolarHBondContact O-N 3.07Å; L373-E375 VanDerWaalsContact C-N 3.33Å; L373-E375 PolarHBondContact O-N 3.4Å; L373-L377 HydrophobicContact CG-CD1 4.35Å; L373-L377 WeakPolarHBondContact O-CG 3.22Å; L373-L377 PolarHBondContact O-N 3.31Å
374D72.1Confident83Confident26 Ų2666.4 Ų66.414%0.13934%0.339CS..Hα-helixtrans-72-29.2-173.4-62.7-25.8000112.4S367 V371 D372 L377 A378S367-D374 WeakPolarHBondContact CB-OD2 3.47Å; V371-D374 WeakPolarHBondContact O-CB 3.39Å; V371-D374 PolarHBondContact O-N 2.97Å; D372-D374 PolarHBondContact O-N 3.08Å; D374-L377 PolarHBondContact O-N 3.2Å; D374-A378 WeakPolarHBondContact O-CB 3.46Å; D374-A378 PolarHBondContact O-N 3.06Å
375E81.1Confident83.1Confident133 Ų13366.5 Ų66.562%0.62134%0.339SS*.Hα-helixtrans-68-40.2-177.8-168.1172.8-16800111.7L373 A379L373-E375 VanDerWaalsContact C-N 3.33Å; L373-E375 PolarHBondContact O-N 3.4Å; E375-A379 VanDerWaalsContact O-CB 3.23Å; E375-A379 WeakPolarHBondContact O-CB 3.25Å; E375-A379 PolarHBondContact O-N 3.01Å
376L87.2Confident83.2Confident129 Ų12966.8 Ų66.868%0.67534%0.34SS*.Hα-helixtrans-69.3-39.2175.8-68176.7000111.9R380L376-R380 VanDerWaalsContact O-CB 3.31Å; L376-R380 WeakPolarHBondContact O-CB 2.85Å; L376-R380 PolarHBondContact O-N 3.31Å
377L88.8Confident83.5Confident46 Ų4670 Ų7024%0.24136%0.356CS..Hα-helixtrans-64.8-46.9175.8-68.3175.7000110.9V296 L299 L373 D374 R380 L381V296-L377 HydrophobicContact CG1-CD1 4.43Å; L299-L377 HydrophobicContact CD1-CB 4.27Å; L299-L377 HydrophobicContact CD1-CD2 4.3Å; L373-L377 HydrophobicContact CG-CD1 4.35Å; L373-L377 WeakPolarHBondContact O-CG 3.22Å; L373-L377 PolarHBondContact O-N 3.31Å; D374-L377 PolarHBondContact O-N 3.2Å; L377-R380 PolarHBondContact O-N 3.13Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 PolarHBondContact O-N 2.81Å
378A91.2Very high83.9Confident3 Ų369.8 Ų69.83%0.02535%0.352CS..Hα-helixtrans-61.6-47.1176.900000111.3L365 D374 R380 L381 V382L365-A378 HydrophobicContact CB-CB 4.09Å; L365-A378 HydrophobicContact CD2-CB 4.17Å; L365-A378 WeakPolarHBondContact O-CB 3.4Å; D374-A378 WeakPolarHBondContact O-CB 3.46Å; D374-A378 PolarHBondContact O-N 3.06Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.93Å; A378-L381 PolarHBondContact O-N 3.45Å; A378-V382 WeakPolarHBondContact O-CB 3.34Å; A378-V382 VanDerWaalsContact O-CG2 3.29Å; A378-V382 WeakPolarHBondContact O-CG2 3.45Å; A378-V382 PolarHBondContact O-N 3.11Å
379A92.6Very high84.6Confident26 Ų2663.6 Ų63.622%0.21533%0.325CS..Hα-helixtrans-59.6-43.2176.900000111.9V357 E375 T383V357-A379 HydrophobicContact CG1-CB 3.9Å; V357-A379 WeakPolarHBondContact CG1-O 3.01Å; E375-A379 VanDerWaalsContact O-CB 3.23Å; E375-A379 WeakPolarHBondContact O-CB 3.25Å; E375-A379 PolarHBondContact O-N 3.01Å; A379-T383 VanDerWaalsContact O-CB 3.23Å; A379-T383 WeakPolarHBondContact O-CB 3.28Å; A379-T383 PolarHBondContact O-N 3.25Å; A379-T383 PolarHBondContact O-OG1 3.47Å
380R93.3Very high85.4Confident122 Ų12263.7 Ų63.746%0.4632%0.322SS..Hα-helixtrans-64.9-42.9176.4-174.6177.1177.8-162.3-5.1112.2L302 L376 L377 A378 T383 F384L302-R380 HydrophobicContact CD1-CG 4.07Å; L376-R380 VanDerWaalsContact O-CB 3.31Å; L376-R380 WeakPolarHBondContact O-CB 2.85Å; L376-R380 PolarHBondContact O-N 3.31Å; L377-R380 PolarHBondContact O-N 3.13Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.93Å; R380-T383 WeakPolarHBondContact O-CB 3.37Å; R380-F384 PolarHBondContact O-N 3.41Å; R380-F384 VanDerWaalsContact O-N 3.12Å
381L94.9Very high87Confident0 Ų060 Ų600%030%0.304CS..Hα-helixtrans-62.4-50.7177.1-174.2142.7000111.3L287 F295 L299 F312 I364 L365 L377 A378 T383 F384 L385L287-L381 HydrophobicContact CD1-CD1 4.48Å; L287-L381 HydrophobicContact CD1-CD2 3.84Å; F295-L381 HydrophobicContact CB-CD1 3.93Å; L299-L381 HydrophobicContact CD1-CB 4.06Å; L299-L381 HydrophobicContact CD1-CD1 4.1Å; L299-L381 HydrophobicContact CD2-CB 3.63Å; L299-L381 HydrophobicContact CD2-CD1 3.93Å; L299-L381 HydrophobicContact CD2-CG 3.94Å; L299-L381 HydrophobicContact CG-CB 4.32Å; L299-L381 HydrophobicContact CG-CD1 4.02Å; F312-L381 HydrophobicContact CE1-CD1 3.87Å; F312-L381 HydrophobicContact CE1-CG 4.2Å; F312-L381 HydrophobicContact CZ-CD1 4.19Å; F312-L381 HydrophobicContact CZ-CG 4.27Å; I364-L381 HydrophobicContact CG2-CD2 4.34Å; L365-L381 HydrophobicContact CD2-CB 4.49Å; L365-L381 HydrophobicContact CD2-CD1 4.05Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 PolarHBondContact O-N 2.81Å; A378-L381 PolarHBondContact O-N 3.45Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 3Å; L381-F384 PolarHBondContact O-N 2.95Å; L381-F384 VanDerWaalsContact O-N 3.14Å; L381-L385 HydrophobicContact CD2-CD1 3.38Å; L381-L385 HydrophobicContact CD2-CG 3.83Å; L381-L385 HydrophobicContact CG-CD1 4.48Å; L381-L385 HydrophobicContact CG-CG 4.48Å; L381-L385 WeakPolarHBondContact O-CG 3.5Å; L381-L385 PolarHBondContact O-N 3.13Å
382V95.3Very high88.4Confident0 Ų056.2 Ų56.20%028%0.281CS..Hα-helixtrans-64.7-37.3-178.5171.30000111.3M331 M334 V357 I364 A378 F384 L385 M386M331-V382 HydrophobicContact CE-CG1 4.46Å; M334-V382 HydrophobicContact CE-CG1 3.78Å; V357-V382 HydrophobicContact CG1-CG1 4.45Å; V357-V382 HydrophobicContact CG2-CG1 4.42Å; I364-V382 HydrophobicContact CB-CG2 3.83Å; I364-V382 HydrophobicContact CD1-CB 4.37Å; I364-V382 HydrophobicContact CD1-CG1 3.84Å; I364-V382 HydrophobicContact CD1-CG2 3.55Å; I364-V382 HydrophobicContact CG1-CG2 4.3Å; I364-V382 HydrophobicContact CG2-CG2 3.83Å; A378-V382 WeakPolarHBondContact O-CB 3.34Å; A378-V382 VanDerWaalsContact O-CG2 3.29Å; A378-V382 WeakPolarHBondContact O-CG2 3.45Å; A378-V382 PolarHBondContact O-N 3.11Å; V382-F384 PolarHBondContact O-N 3.19Å; V382-L385 PolarHBondContact O-N 3.07Å; V382-M386 VanDerWaalsContact O-CB 3.25Å; V382-M386 WeakPolarHBondContact O-CB 3.29Å; V382-M386 PolarHBondContact O-N 2.9Å
383T94.9Very high90.1Very high38 Ų3849.4 Ų49.423%0.23325%0.245CC..Hα-helixtrans-55.2-52.3171.1-65.70000110.9R353 A379 R380 L381 M386 D387R353-T383 VanDerWaalsContact NH2-CG2 3.29Å; A379-T383 VanDerWaalsContact O-CB 3.23Å; A379-T383 WeakPolarHBondContact O-CB 3.28Å; A379-T383 PolarHBondContact O-N 3.25Å; A379-T383 PolarHBondContact O-OG1 3.47Å; R380-T383 WeakPolarHBondContact O-CB 3.37Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 3Å; T383-M386 PolarHBondContact O-N 3.45Å; T383-D387 VanDerWaalsContact O-CG 3.27Å; T383-D387 PolarHBondContact O-N 3.38Å; T383-D387 VanDerWaalsContact O-N 3.14Å
384F95.3Very high91.6Very high25 Ų2548.7 Ų48.711%0.1124%0.237CC..Hα-helixtrans-65.8-42.4180-175.5-98.4000112.8L302 E305 A308 V309 F312 R380 L381 V382 M386 D387 N388 I392L302-F384 HydrophobicContact CD2-CB 4.06Å; L302-F384 HydrophobicContact CD2-CD1 3.53Å; L302-F384 HydrophobicContact CD2-CD2 3.55Å; L302-F384 HydrophobicContact CD2-CE1 3.75Å; L302-F384 HydrophobicContact CD2-CE2 3.77Å; L302-F384 HydrophobicContact CD2-CG 3.41Å; L302-F384 VanDerWaalsContact CD2-CG 3.41Å; L302-F384 HydrophobicContact CD2-CZ 3.87Å; E305-F384 HydrophobicContact CG-CE2 4.17Å; E305-F384 HydrophobicContact CG-CZ 4.21Å; A308-F384 HydrophobicContact CB-CE1 4.23Å; A308-F384 HydrophobicContact CB-CZ 4.05Å; V309-F384 HydrophobicContact CG2-CE1 4.34Å; V309-F384 HydrophobicContact CG2-CZ 4.08Å; F312-F384 AromaticContact CD2-CD1 3.92Å; F312-F384 HydrophobicContact CD2-CD1 3.92Å; F312-F384 AromaticContact CD2-CE1 3.65Å; F312-F384 HydrophobicContact CD2-CE1 3.65Å; F312-F384 AromaticContact CE2-CD1 3.46Å; F312-F384 HydrophobicContact CE2-CD1 3.46Å; F312-F384 VanDerWaalsContact CE2-CD1 3.46Å; F312-F384 AromaticContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CE2-CE1 3.56Å; F312-F384 HydrophobicContact CZ-CD1 4.33Å; R380-F384 PolarHBondContact O-N 3.41Å; R380-F384 VanDerWaalsContact O-N 3.12Å; L381-F384 PolarHBondContact O-N 2.95Å; L381-F384 VanDerWaalsContact O-N 3.14Å; V382-F384 PolarHBondContact O-N 3.19Å; F384-M386 VanDerWaalsContact C-N 3.31Å; F384-M386 PolarHBondContact O-N 2.87Å; F384-D387 PolarHBondContact O-N 3.36Å; F384-N388 VanDerWaalsContact CE2-ND2 3.33Å; F384-N388 WeakPolarHBondContact CE2-ND2 3.5Å; F384-N388 WeakPolarHBondContact O-CB 3.32Å; F384-N388 PolarHBondContact O-N 3.37Å; F384-I392 HydrophobicContact CD1-CD1 3.88Å; F384-I392 HydrophobicContact CE1-CD1 3.66Å
385L95.2Very high92.5Very high2 Ų248.7 Ų48.71%0.0124%0.238CC..Hα-helixtrans-58.1-44.5175-77.1-174.8000111.2F312 M331 I364 L381 V382 D387 N388 Y389 I392F312-L385 HydrophobicContact CD1-CD2 4.25Å; F312-L385 HydrophobicContact CG-CD2 4.45Å; M331-L385 HydrophobicContact CE-CB 4.24Å; M331-L385 HydrophobicContact CE-CD1 4.2Å; M331-L385 HydrophobicContact SD-CB 3.93Å; I364-L385 HydrophobicContact CG2-CD1 4.2Å; L381-L385 HydrophobicContact CD2-CD1 3.38Å; L381-L385 HydrophobicContact CD2-CG 3.83Å; L381-L385 HydrophobicContact CG-CD1 4.48Å; L381-L385 HydrophobicContact CG-CG 4.48Å; L381-L385 WeakPolarHBondContact O-CG 3.5Å; L381-L385 PolarHBondContact O-N 3.13Å; V382-L385 PolarHBondContact O-N 3.07Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 3.34Å; L385-N388 CarbonylContact O-C 3.52Å; L385-N388 PolarHBondContact O-N 3.06Å; L385-Y389 WeakPolarHBondContact O-CA 3.32Å; L385-Y389 WeakPolarHBondContact O-CB 3.5Å; L385-Y389 PolarHBondContact O-N 3.24Å; L385-I392 HydrophobicContact CD2-CD1 3.82Å; L385-I392 HydrophobicContact CD2-CG2 3.77Å
386M94.7Very high93Very high9 Ų943 Ų434%0.04421%0.212CC..Hα-helixtrans-66.9-35.3-178.5-173.8176.869.100112.3M331 M334 R353 V357 V382 T383 F384 Y389M331-M386 HydrophobicContact SD-CB 4.48Å; M334-M386 HydrophobicContact CB-SD 4.09Å; M334-M386 HydrophobicContact CE-SD 4.05Å; R353-M386 HydrophobicContact CG-CE 3.48Å; R353-M386 VanDerWaalsContact CG-CE 3.48Å; V357-M386 HydrophobicContact CG2-CE 4.05Å; V382-M386 VanDerWaalsContact O-CB 3.25Å; V382-M386 WeakPolarHBondContact O-CB 3.29Å; V382-M386 PolarHBondContact O-N 2.9Å; T383-M386 PolarHBondContact O-N 3.45Å; F384-M386 VanDerWaalsContact C-N 3.31Å; F384-M386 PolarHBondContact O-N 2.87Å; M386-Y389 WeakPolarHBondContact O-CD1 3.34Å
387D93.5Very high93.2Very high94 Ų9442.3 Ų42.350%0.50321%0.209SC..Hα-helixtrans-73-32.4177.5-63.4-26000111.8R353 T383 F384 L385R353-D387 IonicContact CZ-OD1 3.22Å; R353-D387 IonicContact NE-OD1 3.58Å; R353-D387 IonicContact NH2-OD1 3.3Å; R353-D387 PolarHBondContact NH2-OD1 3.27Å; R353-D387 IonicContact NH2-OD2 3.08Å; R353-D387 PolarHBondContact NH2-OD2 2.66Å; T383-D387 VanDerWaalsContact O-CG 3.27Å; T383-D387 PolarHBondContact O-N 3.38Å; T383-D387 VanDerWaalsContact O-N 3.14Å; F384-D387 PolarHBondContact O-N 3.36Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 3.34Å
388N94.3Very high93.3Very high28 Ų2845.8 Ų45.815%0.1523%0.228CC..Hα-helixtrans-116.313.9-171.9-74.5-65.9000115E305 V309 F384 L385 Q390 E391 I392E305-N388 PolarHBondContact OE1-ND2 2.92Å; E305-N388 PolarHBondContact OE1-OD1 2.92Å; V309-N388 HydrophobicContact CG2-CB 4.3Å; F384-N388 VanDerWaalsContact CE2-ND2 3.33Å; F384-N388 WeakPolarHBondContact CE2-ND2 3.5Å; F384-N388 WeakPolarHBondContact O-CB 3.32Å; F384-N388 PolarHBondContact O-N 3.37Å; L385-N388 CarbonylContact O-C 3.52Å; L385-N388 PolarHBondContact O-N 3.06Å; N388-Q390 PolarHBondContact O-N 2.87Å; N388-E391 PolarHBondContact O-N 3.39Å; N388-I392 HydrophobicContact CB-CD1 3.58Å; N388-I392 HydrophobicContact CB-CG1 4.02Å; N388-I392 WeakPolarHBondContact O-CG1 3.45Å; N388-I392 PolarHBondContact O-N 3.32Å
389Y93.5Very high93.3Very high31 Ų3145.9 Ų45.912%0.12223%0.227CC..Hα-helixtrans-58.2-30.9-169.678-82.4000113.8M331 R332 A335 L385 M386 E391 L393M331-Y389 HydrophobicContact CB-CD2 4.4Å; M331-Y389 HydrophobicContact CB-CG 4.26Å; R332-Y389 HydrophobicContact CG-CD2 4.26Å; R332-Y389 HydrophobicContact CG-CE2 3.76Å; A335-Y389 HydrophobicContact CB-CD1 3.99Å; A335-Y389 HydrophobicContact CB-CE1 3.43Å; A335-Y389 VanDerWaalsContact CB-CE1 3.43Å; L385-Y389 WeakPolarHBondContact O-CA 3.32Å; L385-Y389 WeakPolarHBondContact O-CB 3.5Å; L385-Y389 PolarHBondContact O-N 3.24Å; M386-Y389 WeakPolarHBondContact O-CD1 3.34Å; Y389-E391 VanDerWaalsContact C-N 3.33Å; Y389-L393 VanDerWaalsContact O-CB 3.31Å; Y389-L393 WeakPolarHBondContact O-CB 3.4Å; Y389-L393 WeakPolarHBondContact O-CG 3.42Å; Y389-L393 PolarHBondContact O-N 2.97Å
390Q91.6Very high93.3Very high117 Ų11746.1 Ų46.155%0.54722%0.224SC..Hα-helixtrans-66.5-36.5-179.2-65.5-172.9-6.400111.9N388 K394N388-Q390 PolarHBondContact O-N 2.87Å; Q390-K394 WeakPolarHBondContact O-CD 3.49Å; Q390-K394 WeakPolarHBondContact O-CE 3.17Å; Q390-K394 WeakPolarHBondContact O-CG 3.41Å
391E93.8Very high93.3Very high83 Ų8343.3 Ų43.339%0.38822%0.221SC..Hα-helixtrans-87-44.4177.5-59-47.5126.400110.6V309 Q313 N388 Y389 L393 K394V309-E391 HydrophobicContact CG1-CB 3.79Å; Q313-E391 WeakPolarHBondContact CG-O 3.43Å; Q313-E391 PolarHBondContact NE2-O 3.11Å; N388-E391 PolarHBondContact O-N 3.39Å; Y389-E391 VanDerWaalsContact C-N 3.33Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.11Å; E391-K394 PolarHBondContact O-N 2.65Å; E391-K394 IonicContact OE1-NZ 2.63Å; E391-K394 PolarHBondContact OE1-NZ 3.07Å; E391-K394 IonicContact OE2-NZ 3.65Å; E391-K394 PolarHBondContact OE2-NZ 3.38Å
392I95.1Very high93.2Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-60.9-38.4-177.2-69.9174.1000112.8V309 F312 Q313 F384 L385 N388V309-I392 HydrophobicContact CB-CG1 4.34Å; V309-I392 HydrophobicContact CG1-CG1 4.08Å; V309-I392 HydrophobicContact CG2-CD1 4.5Å; V309-I392 HydrophobicContact CG2-CG1 4.09Å; F312-I392 HydrophobicContact CB-CB 4.42Å; F312-I392 HydrophobicContact CB-CD1 4.24Å; F312-I392 HydrophobicContact CB-CG1 4.12Å; F312-I392 HydrophobicContact CB-CG2 3.56Å; F312-I392 HydrophobicContact CD2-CD1 4.07Å; F312-I392 HydrophobicContact CG-CD1 4.35Å; F312-I392 HydrophobicContact CG-CG2 4.43Å; Q313-I392 WeakPolarHBondContact CA-O 3.26Å; Q313-I392 VanDerWaalsContact CG-O 3.24Å; Q313-I392 WeakPolarHBondContact CG-O 3.38Å; F384-I392 HydrophobicContact CD1-CD1 3.88Å; F384-I392 HydrophobicContact CE1-CD1 3.66Å; L385-I392 HydrophobicContact CD2-CD1 3.82Å; L385-I392 HydrophobicContact CD2-CG2 3.77Å; N388-I392 HydrophobicContact CB-CD1 3.58Å; N388-I392 HydrophobicContact CB-CG1 4.02Å; N388-I392 WeakPolarHBondContact O-CG1 3.45Å; N388-I392 PolarHBondContact O-N 3.32Å
393L92.6Very high93Very high13 Ų1346 Ų467%0.06824%0.239CC..THydrogen-bonded Turntrans-93.55.8-174.6-58.6173.7000113.6C316 R324 L327 Q328 M331 Y389 E391C316-L393 HydrophobicContact CB-CD2 4.41Å; R324-L393 PolarHBondContact NH2-O 3.46Å; L327-L393 HydrophobicContact CD2-CD2 4.02Å; Q328-L393 HydrophobicContact CB-CD1 4.36Å; Q328-L393 HydrophobicContact CG-CB 4.02Å; Q328-L393 HydrophobicContact CG-CD1 3.81Å; Q328-L393 HydrophobicContact CG-CD2 4.4Å; Q328-L393 HydrophobicContact CG-CG 4.31Å; Q328-L393 PolarHBondContact NE2-O 2.92Å; M331-L393 HydrophobicContact CB-CD1 4.1Å; M331-L393 HydrophobicContact CG-CD1 4.11Å; Y389-L393 VanDerWaalsContact O-CB 3.31Å; Y389-L393 WeakPolarHBondContact O-CB 3.4Å; Y389-L393 WeakPolarHBondContact O-CG 3.42Å; Y389-L393 PolarHBondContact O-N 2.97Å; E391-L393 VanDerWaalsContact C-N 3.32Å; E391-L393 PolarHBondContact O-N 3.11Å
394K92.3Very high92.8Very high97 Ų9747.6 Ų47.642%0.42224%0.244SC..SBendtrans-76.2161.3169-81.1168.6-171.5170.70111.1Q390 E391Q390-K394 WeakPolarHBondContact O-CD 3.49Å; Q390-K394 WeakPolarHBondContact O-CE 3.17Å; Q390-K394 WeakPolarHBondContact O-CG 3.41Å; E391-K394 PolarHBondContact O-N 2.65Å; E391-K394 IonicContact OE1-NZ 2.63Å; E391-K394 PolarHBondContact OE1-NZ 3.07Å; E391-K394 IonicContact OE2-NZ 3.65Å; E391-K394 PolarHBondContact OE2-NZ 3.38Å
395V91.3Very high92.6Very high27 Ų2752.5 Ų52.516%0.16427%0.267CS..  trans-80.3127.8172.4177.80000108.6V221 V224 L397V221-V395 HydrophobicContact CB-CG1 4.3Å; V221-V395 HydrophobicContact CG1-CG1 3.99Å; V221-V395 HydrophobicContact CG2-CG1 4.09Å; V224-V395 HydrophobicContact CG1-CG2 4.26Å; V395-L397 PolarHBondContact O-N 2.63Å; V395-L397 VanDerWaalsContact O-N 3.08Å
396P92.4Very high92.2Very high12 Ų1258.1 Ų58.18%0.07829%0.289CS..  trans-71.4101.1176.627.8-32.4000110.3Q313 I314 L317 D398 L399 Q400Q313-P396 HydrophobicContact CB-CG 4.47Å; I314-P396 HydrophobicContact CD1-CB 4.4Å; I314-P396 HydrophobicContact CD1-CG 3.88Å; L317-P396 HydrophobicContact CD1-CG 3.72Å; P396-D398 VanDerWaalsContact C-N 3.3Å; P396-D398 PolarHBondContact O-N 2.76Å; P396-L399 HydrophobicContact CB-CB 4.27Å; P396-L399 HydrophobicContact CG-CB 4.16Å; P396-L399 HydrophobicContact CG-CD2 4.3Å; P396-L399 PolarHBondContact O-N 2.73Å; P396-Q400 PolarHBondContact O-N 3.44Å; P396-Q400 VanDerWaalsContact O-N 3.15Å
397L90.8Very high91.8Very high116 Ų11658.1 Ų58.161%0.60729%0.289SS*.Hα-helixtrans-61.4-36.9-176.5-66.2175.1000112.3V395 L399 Q400 T401V395-L397 PolarHBondContact O-N 2.63Å; V395-L397 VanDerWaalsContact O-N 3.08Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.05Å; L397-Q400 PolarHBondContact O-N 3.35Å; L397-Q400 VanDerWaalsContact O-N 3.15Å; L397-T401 WeakPolarHBondContact O-CB 3.3Å; L397-T401 PolarHBondContact O-N 3.37Å; L397-T401 PolarHBondContact O-OG1 2.86Å; L397-T401 VanDerWaalsContact O-OG1 3.1Å
398D90.4Very high91.5Very high119 Ų11955.4 Ų55.464%0.63628%0.279SS*.Hα-helixtrans-61.8-40.6179.6-62.9-37.7000112.2P396 S402P396-D398 VanDerWaalsContact C-N 3.3Å; P396-D398 PolarHBondContact O-N 2.76Å; D398-S402 VanDerWaalsContact O-CB 3.29Å; D398-S402 WeakPolarHBondContact O-CB 3.31Å; D398-S402 PolarHBondContact O-N 3.21Å; D398-S402 PolarHBondContact O-OG 3.23Å
399L91.6Very high91Very high4 Ų457.8 Ų57.82%0.02129%0.29CS..Hα-helixtrans-65.5-46.8174177.868.5000110.3T190 Y193 I314 L317 P396 L397 S402 I403T190-L399 HydrophobicContact CG2-CD2 4.15Å; Y193-L399 HydrophobicContact CD2-CD1 4.41Å; Y193-L399 HydrophobicContact CG-CD1 4.15Å; I314-L399 HydrophobicContact CD1-CB 4.42Å; I314-L399 HydrophobicContact CD1-CD2 3.54Å; I314-L399 HydrophobicContact CD1-CG 4.45Å; L317-L399 HydrophobicContact CD1-CD2 4.03Å; P396-L399 HydrophobicContact CB-CB 4.27Å; P396-L399 HydrophobicContact CG-CB 4.16Å; P396-L399 HydrophobicContact CG-CD2 4.3Å; P396-L399 PolarHBondContact O-N 2.73Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.05Å; L399-S402 PolarHBondContact O-N 3.49Å; L399-I403 HydrophobicContact CD1-CD1 3.69Å; L399-I403 HydrophobicContact CD1-CG1 4.23Å; L399-I403 HydrophobicContact CD2-CD1 4.32Å; L399-I403 HydrophobicContact CG-CD1 3.72Å; L399-I403 VanDerWaalsContact O-CG1 3.32Å; L399-I403 WeakPolarHBondContact O-CG1 3.3Å; L399-I403 PolarHBondContact O-N 3Å
400Q93Very high90.3Very high32 Ų3257.6 Ų57.615%0.1529%0.29CS..Hα-helixtrans-58.5-51.8180176.9179.14.800111.4W186 V221 P396 L397 S402 I403 E404W186-Q400 HydrophobicContact CH2-CB 4.23Å; W186-Q400 HydrophobicContact CH2-CG 4.15Å; V221-Q400 HydrophobicContact CG1-CB 4.47Å; V221-Q400 HydrophobicContact CG1-CG 4.06Å; P396-Q400 PolarHBondContact O-N 3.44Å; P396-Q400 VanDerWaalsContact O-N 3.15Å; L397-Q400 PolarHBondContact O-N 3.35Å; L397-Q400 VanDerWaalsContact O-N 3.15Å; Q400-S402 VanDerWaalsContact C-N 3.35Å; Q400-S402 PolarHBondContact O-N 2.85Å; Q400-I403 PolarHBondContact O-N 3.13Å; Q400-E404 HydrophobicContact CG-CG 4.32Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.42Å; Q400-E404 PolarHBondContact NE2-OE1 3.14Å; Q400-E404 WeakPolarHBondContact O-CB 3.31Å; Q400-E404 VanDerWaalsContact O-CG 3.32Å; Q400-E404 WeakPolarHBondContact O-CG 3.42Å; Q400-E404 PolarHBondContact O-N 2.63Å
401T93.3Very high89.7Confident63 Ų6359.6 Ų59.639%0.38729%0.293SS..Hα-helixtrans-60.7-44178.9-580000111.3L397 I403 E404 E405L397-T401 WeakPolarHBondContact O-CB 3.3Å; L397-T401 PolarHBondContact O-N 3.37Å; L397-T401 PolarHBondContact O-OG1 2.86Å; L397-T401 VanDerWaalsContact O-OG1 3.1Å; T401-I403 VanDerWaalsContact C-N 3.3Å; T401-I403 PolarHBondContact O-N 2.84Å; T401-E404 PolarHBondContact O-N 2.87Å; T401-E405 HydrophobicContact CG2-CG 4.25Å; T401-E405 WeakPolarHBondContact O-CB 3.19Å; T401-E405 VanDerWaalsContact O-CG 3.29Å; T401-E405 WeakPolarHBondContact O-CG 3.45Å; T401-E405 PolarHBondContact O-N 3.29Å
402S92.3Very high88.8Confident55 Ų5563.5 Ų63.539%0.38530%0.304SS..Hα-helixtrans-59.4-40.6177.5-620000112.5D398 L399 Q400 R406D398-S402 VanDerWaalsContact O-CB 3.29Å; D398-S402 WeakPolarHBondContact O-CB 3.31Å; D398-S402 PolarHBondContact O-N 3.21Å; D398-S402 PolarHBondContact O-OG 3.23Å; L399-S402 PolarHBondContact O-N 3.49Å; Q400-S402 VanDerWaalsContact C-N 3.35Å; Q400-S402 PolarHBondContact O-N 2.85Å; S402-R406 WeakPolarHBondContact O-CB 3.36Å; S402-R406 PolarHBondContact O-N 3.34Å; S402-R406 VanDerWaalsContact O-N 3.13Å
403I91.9Very high87.1Confident0 Ų067.4 Ų67.40%033%0.328CS..Hα-helixtrans-72.3-44178.3-67.9169.4000110.8I185 W186 M189 L399 Q400 T401 E405 R406 V407I185-I403 HydrophobicContact CG2-CG2 4.1Å; W186-I403 HydrophobicContact CD2-CD1 3.88Å; W186-I403 HydrophobicContact CD2-CG2 3.75Å; W186-I403 VanDerWaalsContact CE2-CG2 3.47Å; W186-I403 HydrophobicContact CE3-CD1 3.3Å; W186-I403 HydrophobicContact CE3-CG1 4.49Å; W186-I403 HydrophobicContact CE3-CG2 4.26Å; W186-I403 HydrophobicContact CG-CG2 4.1Å; W186-I403 HydrophobicContact CH2-CB 4.23Å; W186-I403 HydrophobicContact CH2-CD1 4.03Å; W186-I403 HydrophobicContact CH2-CG2 4.25Å; W186-I403 HydrophobicContact CZ2-CB 4.17Å; W186-I403 HydrophobicContact CZ2-CG2 3.75Å; W186-I403 HydrophobicContact CZ3-CB 4.45Å; W186-I403 HydrophobicContact CZ3-CD1 3.39Å; W186-I403 HydrophobicContact CZ3-CG1 4.49Å; W186-I403 HydrophobicContact CZ3-CG2 4.49Å; M189-I403 HydrophobicContact CB-CD1 3.91Å; M189-I403 HydrophobicContact CB-CG1 3.75Å; M189-I403 HydrophobicContact CE-CG1 3.74Å; M189-I403 HydrophobicContact CG-CG1 4.28Å; M189-I403 HydrophobicContact SD-CB 4.34Å; M189-I403 HydrophobicContact SD-CG1 3.68Å; L399-I403 HydrophobicContact CD1-CD1 3.69Å; L399-I403 HydrophobicContact CD1-CG1 4.23Å; L399-I403 HydrophobicContact CD2-CD1 4.32Å; L399-I403 HydrophobicContact CG-CD1 3.72Å; L399-I403 VanDerWaalsContact O-CG1 3.32Å; L399-I403 WeakPolarHBondContact O-CG1 3.3Å; L399-I403 PolarHBondContact O-N 3Å; Q400-I403 PolarHBondContact O-N 3.13Å; T401-I403 VanDerWaalsContact C-N 3.3Å; T401-I403 PolarHBondContact O-N 2.84Å; I403-E405 PolarHBondContact O-N 2.81Å; I403-R406 WeakPolarHBondContact O-CB 3.49Å; I403-R406 PolarHBondContact O-N 3.1Å; I403-V407 HydrophobicContact CG2-CG2 4.3Å; I403-V407 WeakPolarHBondContact O-CB 3.43Å; I403-V407 VanDerWaalsContact O-CG2 3.32Å; I403-V407 WeakPolarHBondContact O-CG2 3.49Å; I403-V407 PolarHBondContact O-N 3.21Å
404E90.9Very high85.4Confident73 Ų7369.6 Ų69.634%0.34134%0.338SS..Hα-helixtrans-62.3-43.1178.1-75176.3177.700111.9Y222 Q400 T401 R406 V407 A408Y222-E404 WeakPolarHBondContact CE1-OE1 3.49Å; Y222-E404 WeakPolarHBondContact OH-CG 3.29Å; Y222-E404 PolarHBondContact OH-OE1 3.22Å; Q400-E404 HydrophobicContact CG-CG 4.32Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.42Å; Q400-E404 PolarHBondContact NE2-OE1 3.14Å; Q400-E404 WeakPolarHBondContact O-CB 3.31Å; Q400-E404 VanDerWaalsContact O-CG 3.32Å; Q400-E404 WeakPolarHBondContact O-CG 3.42Å; Q400-E404 PolarHBondContact O-N 2.63Å; T401-E404 PolarHBondContact O-N 2.87Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.97Å; E404-V407 PolarHBondContact O-N 3.23Å; E404-A408 WeakPolarHBondContact O-CB 3.32Å; E404-A408 PolarHBondContact O-N 3.33Å
405E90.1Very high83.7Confident127 Ų12769.1 Ų69.159%0.59334%0.339SS*.Hα-helixtrans-60.9-42.7173.6-76.3-179.2175.300111.6T401 I403 A408 H409T401-E405 HydrophobicContact CG2-CG 4.25Å; T401-E405 WeakPolarHBondContact O-CB 3.19Å; T401-E405 VanDerWaalsContact O-CG 3.29Å; T401-E405 WeakPolarHBondContact O-CG 3.45Å; T401-E405 PolarHBondContact O-N 3.29Å; I403-E405 PolarHBondContact O-N 2.81Å; E405-A408 PolarHBondContact O-N 3.26Å; E405-H409 VanDerWaalsContact O-CB 3.26Å; E405-H409 WeakPolarHBondContact O-CB 3.35Å; E405-H409 PolarHBondContact O-N 3.45Å
406R86.6Confident81.8Confident121 Ų12171.1 Ų71.146%0.45735%0.345SS..Hα-helixtrans-62.7-47176.4179.559.1175.5162.2-0.8111.3I185 M189 S402 I403 E404 H409 L410I185-R406 HydrophobicContact CG2-CG 4.42Å; M189-R406 HydrophobicContact CE-CB 4.47Å; M189-R406 HydrophobicContact SD-CB 4.03Å; M189-R406 HydrophobicContact SD-CG 3.94Å; S402-R406 WeakPolarHBondContact O-CB 3.36Å; S402-R406 PolarHBondContact O-N 3.34Å; S402-R406 VanDerWaalsContact O-N 3.13Å; I403-R406 WeakPolarHBondContact O-CB 3.49Å; I403-R406 PolarHBondContact O-N 3.1Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.97Å; R406-H409 PolarHBondContact O-N 3.38Å; R406-L410 HydrophobicContact CG-CD1 4.43Å; R406-L410 VanDerWaalsContact O-CG 3.28Å; R406-L410 WeakPolarHBondContact O-CG 3.41Å; R406-L410 PolarHBondContact O-N 3.02Å
407V87.4Confident79.7Confident8 Ų877.3 Ų77.35%0.04837%0.368CS..Hα-helixtrans-63.5-43.7177.3170.10000110.7L177 V182 I185 I403 E404 L410 R411L177-V407 HydrophobicContact CD2-CG1 3.9Å; V182-V407 HydrophobicContact CG2-CG1 4.46Å; I185-V407 HydrophobicContact CD1-CG2 4.17Å; I185-V407 HydrophobicContact CG2-CG2 4.17Å; I403-V407 HydrophobicContact CG2-CG2 4.3Å; I403-V407 WeakPolarHBondContact O-CB 3.43Å; I403-V407 VanDerWaalsContact O-CG2 3.32Å; I403-V407 WeakPolarHBondContact O-CG2 3.49Å; I403-V407 PolarHBondContact O-N 3.21Å; E404-V407 PolarHBondContact O-N 3.23Å; V407-L410 PolarHBondContact O-N 3.46Å; V407-R411 VanDerWaalsContact CG1-CZ 3.41Å; V407-R411 WeakPolarHBondContact O-CG 3.32Å; V407-R411 PolarHBondContact O-N 3.47Å
408A86.1Confident77.3Confident37 Ų3775 Ų7531%0.30636%0.36SS..Hα-helixtrans-62.5-45.1176.800000111.5E404 E405 L410 R411 R412E404-A408 WeakPolarHBondContact O-CB 3.32Å; E404-A408 PolarHBondContact O-N 3.33Å; E405-A408 PolarHBondContact O-N 3.26Å; A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.01Å; A408-R411 PolarHBondContact O-N 2.85Å; A408-R411 VanDerWaalsContact O-N 3.15Å; A408-R412 WeakPolarHBondContact O-CG 3.5Å; A408-R412 PolarHBondContact O-N 3.02Å
409H83.7Confident75.3Confident79 Ų7972.8 Ų72.837%0.36637%0.366SS..Hα-helixtrans-59-38.7173.9176.2-85.7000111.9E405 R406E405-H409 VanDerWaalsContact O-CB 3.26Å; E405-H409 WeakPolarHBondContact O-CB 3.35Å; E405-H409 PolarHBondContact O-N 3.45Å; R406-H409 PolarHBondContact O-N 3.38Å
410L79.8Confident73.1Confident26 Ų2673.8 Ų73.814%0.13638%0.375CS..Hα-helixtrans-69.3-33.7176.6-70.2173.7000113R174 L177 I185 R406 V407 A408R174-L410 VanDerWaalsContact CD-O 3.25Å; R174-L410 WeakPolarHBondContact CD-O 3.34Å; R174-L410 PolarHBondContact NH1-O 3Å; L177-L410 HydrophobicContact CD1-CD1 4.48Å; I185-L410 HydrophobicContact CD1-CD1 3.55Å; R406-L410 HydrophobicContact CG-CD1 4.43Å; R406-L410 VanDerWaalsContact O-CG 3.28Å; R406-L410 WeakPolarHBondContact O-CG 3.41Å; R406-L410 PolarHBondContact O-N 3.02Å; V407-L410 PolarHBondContact O-N 3.46Å; A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.01Å
411R78.6Confident70.8Confident159 Ų15978.4 Ų78.460%0.640%0.4SS*.Hα-helixtrans-77.9-23.7177.4-72.2174.8177.4160.40.1114L177 V407 A408 V413L177-R411 HydrophobicContact CB-CG 4.41Å; L177-R411 HydrophobicContact CD2-CG 4.34Å; V407-R411 VanDerWaalsContact CG1-CZ 3.41Å; V407-R411 WeakPolarHBondContact O-CG 3.32Å; V407-R411 PolarHBondContact O-N 3.47Å; A408-R411 PolarHBondContact O-N 2.85Å; A408-R411 VanDerWaalsContact O-N 3.15Å; R411-V413 PolarHBondContact O-N 3.42Å
412R74.8Confident68.5Low166 Ų16683.5 Ų83.563%0.62642%0.421SS*.SBendtrans-63.3134178.3-77.5174.1-168.5165.25110.9A408 Q414A408-R412 WeakPolarHBondContact O-CG 3.5Å; A408-R412 PolarHBondContact O-N 3.02Å; R412-Q414 PolarHBondContact O-N 3.26Å
413V59.6Low66Low81 Ų8186.5 Ų86.549%0.49143%0.433SS..  trans-66.6120.7172.5-178.50000108.3L171 R411L171-V413 HydrophobicContact CD2-CG1 4.22Å; R411-V413 PolarHBondContact O-N 3.42Å
414Q57.8Low63.5Low59 Ų5990 Ų9028%0.27645%0.452SS..EExtended strand (participates in β ladder)trans-90.5115.7171.6-73.8-175.2-18.100108.7R412 K416R412-Q414 PolarHBondContact O-N 3.26Å; Q414-K416 PolarHBondContact O-N 3.33Å
415I55.8Low61.1Low87 Ų8792.6 Ų92.645%0.44647%0.472SS..EExtended strand (participates in β ladder)trans-76.7106169.9-56.1177000106.5L171 Y417L171-I415 HydrophobicContact CD2-CG1 4.11Å; I415-Y417 HydrophobicContact CG2-CE1 4.49Å; I415-Y417 HydrophobicContact CG2-CE2 4.28Å
416K51.6Low58.7Low70 Ų7094 Ų9430%0.30448%0.483SS..EExtended strand (participates in β ladder)trans-88.2117.6170.6-76.7-166.7169.2-1620108.8V172 Q414 D421 I424V172-K416 HydrophobicContact CG2-CB 4.2Å; V172-K416 HydrophobicContact CG2-CD 4.31Å; V172-K416 HydrophobicContact CG2-CG 4.45Å; Q414-K416 PolarHBondContact O-N 3.33Å; K416-D421 IonicContact NZ-OD1 2.76Å; K416-D421 PolarHBondContact NZ-OD1 2.88Å; K416-I424 HydrophobicContact CG-CD1 4.38Å
417Y47.7Very low56.4Low141 Ų14193.4 Ų93.455%0.55350%0.497SS*.PPolyproline II helixtrans-76.3138.6167.7-63-84.8000109C169 I415 G419 A420C169-Y417 VanDerWaalsContact SG-CE1 3.57Å; I415-Y417 HydrophobicContact CG2-CE1 4.49Å; I415-Y417 HydrophobicContact CG2-CE2 4.28Å; Y417-G419 PolarHBondContact O-N 3.25Å; Y417-G419 VanDerWaalsContact O-N 3.09Å; Y417-A420 VanDerWaalsContact O-CB 3.29Å; Y417-A420 WeakPolarHBondContact O-CB 3.42Å; Y417-A420 PolarHBondContact O-N 3.1Å
418P40.6Very low54Low68 Ų6896.7 Ų96.744%0.44253%0.526SS..THydrogen-bonded Turntrans-55.8116.7169.1-17.627.3000109.2P167 A168P167-P418 HydrophobicContact CB-CB 3.91Å; P167-P418 HydrophobicContact CB-CG 3.64Å; A168-P418 VanDerWaalsContact O-CG 3.26Å; A168-P418 WeakPolarHBondContact O-CG 3.39Å
419G48.7Very low51.9Low73 Ų73100.8 Ų100.875%0.75355%0.549SS*.THydrogen-bonded Turntrans110.3-10.8-171.900000115.1Y417 D421Y417-G419 PolarHBondContact O-N 3.25Å; Y417-G419 VanDerWaalsContact O-N 3.09Å; G419-D421 VanDerWaalsContact C-N 3.33Å
420A44.8Very low49.9Very low25 Ų25102.3 Ų102.321%0.20757%0.568CS.*G310 helixtrans-85.30.3176.500000114.2Y417 M422 D423 I424Y417-A420 VanDerWaalsContact O-CB 3.29Å; Y417-A420 WeakPolarHBondContact O-CB 3.42Å; Y417-A420 PolarHBondContact O-N 3.1Å; A420-M422 PolarHBondContact O-N 3.49Å; A420-M422 VanDerWaalsContact O-N 3.1Å; A420-D423 PolarHBondContact O-N 3.05Å; A420-D423 VanDerWaalsContact O-N 3.14Å; A420-I424 HydrophobicContact CB-CD1 4.04Å
421D44.1Very low48Very low128 Ų128109.2 Ų109.268%0.68460%0.598SS**G310 helixtrans-74.511.5174.8-77.4-32.6000113.4K416 G419K416-D421 IonicContact NZ-OD1 2.76Å; K416-D421 PolarHBondContact NZ-OD1 2.88Å; G419-D421 VanDerWaalsContact C-N 3.33Å
422M45.1Very low46.7Very low170 Ų170107.3 Ų107.384%0.83761%0.607SS**G310 helixtrans-98.5-8.5163.3-85.1-178.958.800114.7A420A420-M422 PolarHBondContact O-N 3.49Å; A420-M422 VanDerWaalsContact O-N 3.1Å
423D40.9Very low45.6Very low119 Ų119108.3 Ų108.364%0.63661%0.611SS**SBendtrans-153.139.6-165.9-102-24.1000116.7A420A420-D423 PolarHBondContact O-N 3.05Å; A420-D423 VanDerWaalsContact O-N 3.14Å
424I39.4Very low45.4Very low74 Ų74113.1 Ų113.138%0.37963%0.628SS.*  trans-126.720.5169.2-44.5168.2000113.2K416 A420 L426K416-I424 HydrophobicContact CG-CD1 4.38Å; A420-I424 HydrophobicContact CB-CD1 4.04Å; I424-L426 PolarHBondContact O-N 2.82Å
425T40.1Very low46Very low127 Ų127113.7 Ų113.778%0.77963%0.633SS**  trans-87.576.2142.252.30000107.1S427T425-S427 PolarHBondContact O-N 3.4Å
426L40.6Very low46.9Very low155 Ų155111.4 Ų111.481%0.81262%0.624SS**  trans-66.672.5164.9-87.5157.4000108.8I424I424-L426 PolarHBondContact O-N 2.82Å
427S38.1Very low47.6Very low109 Ų109112.6 Ų112.676%0.76264%0.639SS**  trans-91.3100.8148.2-113.20000105.9T425T425-S427 PolarHBondContact O-N 3.4Å
428A35.8Very low48.5Very low78 Ų78112.3 Ų112.365%0.64564%0.643SS**SBendtrans61155.7165.400000116.5S430A428-S430 PolarHBondContact O-N 3.49Å
429P43.2Very low49.9Very low123 Ų123112.5 Ų112.580%0.79964%0.638SS**  trans-60.2135.117424.3-31.3000109.4F431P429-F431 PolarHBondContact O-N 3.47Å
430S42.2Very low50.9Low110 Ų110113.9 Ų113.977%0.76962%0.623SS**  trans-64.878.7175.529.30000110.4A428 C432A428-S430 PolarHBondContact O-N 3.49Å; S430-C432 PolarHBondContact O-N 3.29Å
431F39.4Very low51.9Low171 Ų171118.8 Ų118.875%0.7564%0.642SS**  trans-69.5120.5162.3-175.8-102.9000107.2P429 R433P429-F431 PolarHBondContact O-N 3.47Å; F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 2.93Å
432C50.8Low53Low119 Ų119120 Ų12080%0.80464%0.638SS**  trans-59.498.9165.1-73.90000107.4S430 Q434S430-C432 PolarHBondContact O-N 3.29Å; C432-Q434 PolarHBondContact O-N 3.47Å
433R51.5Low54Low187 Ų187116.8 Ų116.871%0.70662%0.621SS**  trans-64.9112.1177.5-177.5177.6169.3-179.4-7.4107.4F431 I435F431-R433 VanDerWaalsContact C-N 3.29Å; F431-R433 PolarHBondContact O-N 2.93Å; R433-I435 PolarHBondContact O-N 2.99Å
434Q56.5Low55.2Low183 Ų183119.2 Ų119.286%0.85562%0.621SS**  trans-60.1110.1171.3-134.4172.811.100107.5C432C432-Q434 PolarHBondContact O-N 3.47Å
435I69.6Low56.2Low71 Ų71118.2 Ų118.236%0.36462%0.621SS.*  trans-71.3144.2172.455175.4000108.5R433 E439 F440R433-I435 PolarHBondContact O-N 2.99Å; I435-E439 HydrophobicContact CB-CB 4.28Å; I435-F440 HydrophobicContact CD1-CB 3.86Å; I435-F440 HydrophobicContact CD1-CD2 4.05Å; I435-F440 HydrophobicContact CD1-CG 4.46Å; I435-F440 HydrophobicContact CG1-CB 4.41Å
436S73.6Confident57Low39 Ų39119.7 Ų119.727%0.27361%0.613SS.*  trans-67.9156.1175.3840000110E438 E439 F440S436-E438 VanDerWaalsContact CB-OE2 3.28Å; S436-E438 WeakPolarHBondContact CB-OE2 3.43Å; S436-E438 PolarHBondContact O-N 2.99Å; S436-E438 PolarHBondContact OG-N 3.43Å; S436-E438 PolarHBondContact OG-OE2 2.84Å; S436-E439 PolarHBondContact O-N 2.93Å; S436-E439 VanDerWaalsContact O-N 3.11Å; S436-E439 PolarHBondContact OG-N 3.37Å; S436-E439 VanDerWaalsContact OG-N 3.11Å; S436-F440 PolarHBondContact O-N 3.34Å
437P66.6Low57.9Low94 Ų94114.7 Ų114.761%0.6160%0.599SS**Hα-helixtrans-55.2-33.3173.7-22.732.6000112F440 E441P437-F440 PolarHBondContact O-N 3.23Å; P437-E441 WeakPolarHBondContact O-CB 3.41Å; P437-E441 WeakPolarHBondContact O-CG 3.22Å; P437-E441 PolarHBondContact O-N 3.46Å
438E67.6Low59.1Low135 Ų135111.8 Ų111.863%0.63158%0.579SS**Hα-helixtrans-73.8-37.5177.5-48101.8173.500112.6S436 F440 E441 Y442S436-E438 VanDerWaalsContact CB-OE2 3.28Å; S436-E438 WeakPolarHBondContact CB-OE2 3.43Å; S436-E438 PolarHBondContact O-N 2.99Å; S436-E438 PolarHBondContact OG-N 3.43Å; S436-E438 PolarHBondContact OG-OE2 2.84Å; E438-F440 VanDerWaalsContact C-N 3.31Å; E438-E441 PolarHBondContact O-N 2.95Å; E438-Y442 VanDerWaalsContact O-CB 3.3Å; E438-Y442 WeakPolarHBondContact O-CB 3.45Å; E438-Y442 PolarHBondContact O-N 2.94Å
439E69.3Low60.6Low73 Ų73110.6 Ų110.634%0.34156%0.56SS.*Hα-helixtrans-65.3-36.7171.9-86.5-178.4158.100111.3I435 S436 Q443I435-E439 HydrophobicContact CB-CB 4.28Å; S436-E439 PolarHBondContact O-N 2.93Å; S436-E439 VanDerWaalsContact O-N 3.11Å; S436-E439 PolarHBondContact OG-N 3.37Å; S436-E439 VanDerWaalsContact OG-N 3.11Å; E439-Q443 VanDerWaalsContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CG 3.47Å; E439-Q443 PolarHBondContact O-N 3.48Å
440F69.4Low61.8Low102 Ų102112.5 Ų112.545%0.44756%0.559SS.*Hα-helixtrans-64.6-46.7172.8174.1-99.8000111.6I435 S436 P437 E438 Q443 R444I435-F440 HydrophobicContact CD1-CB 3.86Å; I435-F440 HydrophobicContact CD1-CD2 4.05Å; I435-F440 HydrophobicContact CD1-CG 4.46Å; I435-F440 HydrophobicContact CG1-CB 4.41Å; S436-F440 PolarHBondContact O-N 3.34Å; P437-F440 PolarHBondContact O-N 3.23Å; E438-F440 VanDerWaalsContact C-N 3.31Å; F440-Q443 PolarHBondContact O-N 3.27Å; F440-R444 WeakPolarHBondContact O-CB 3.47Å; F440-R444 PolarHBondContact O-N 2.74Å
441E67.1Low63.3Low127 Ų127111.1 Ų111.159%0.59355%0.547SS*.Hα-helixtrans-64.4-39.7177.4-77.3-176.1177.600112.1P437 E438 R444 S445P437-E441 WeakPolarHBondContact O-CB 3.41Å; P437-E441 WeakPolarHBondContact O-CG 3.22Å; P437-E441 PolarHBondContact O-N 3.46Å; E438-E441 PolarHBondContact O-N 2.95Å; E441-R444 WeakPolarHBondContact O-CB 3.18Å; E441-R444 PolarHBondContact O-N 3.31Å; E441-S445 WeakPolarHBondContact O-CB 3.5Å; E441-S445 PolarHBondContact O-N 3.37Å; E441-S445 PolarHBondContact O-OG 3.41Å; E441-S445 VanDerWaalsContact O-OG 3.06Å
442Y67.4Low65.1Low153 Ų153104.4 Ų104.460%0.652%0.518SS*.Hα-helixtrans-65.8-44.4175.4-177.7-90.7000112.5E438 R444 S445 Y446E438-Y442 VanDerWaalsContact O-CB 3.3Å; E438-Y442 WeakPolarHBondContact O-CB 3.45Å; E438-Y442 PolarHBondContact O-N 2.94Å; Y442-R444 VanDerWaalsContact C-N 3.28Å; Y442-R444 PolarHBondContact O-N 3.45Å; Y442-S445 PolarHBondContact O-N 3.19Å; Y442-S445 PolarHBondContact O-OG 2.81Å; Y442-Y446 AromaticContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CE2 4.18Å; Y442-Y446 AromaticContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CE2 4.13Å; Y442-Y446 HydrophobicContact CE2-CG 4.34Å; Y442-Y446 HydrophobicContact CG-CD2 4.33Å; Y442-Y446 PolarHBondContact O-N 3.33Å
443Q66.3Low66.3Low104 Ų104100.5 Ų100.549%0.48650%0.495SS..Iπ-helixtrans-64.9-35.9175.3-74.1175.71900111.4E439 F440 G447 S448E439-Q443 VanDerWaalsContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CB 3.31Å; E439-Q443 WeakPolarHBondContact O-CG 3.47Å; E439-Q443 PolarHBondContact O-N 3.48Å; F440-Q443 PolarHBondContact O-N 3.27Å; Q443-G447 VanDerWaalsContact O-CA 3.3Å; Q443-G447 WeakPolarHBondContact O-CA 3.31Å; Q443-G447 PolarHBondContact O-N 3.41Å; Q443-S448 PolarHBondContact O-N 2.78Å
444R64.5Low67.6Low170 Ų17094.5 Ų94.564%0.64249%0.485SS*.Iπ-helixtrans-64.2-46.5174.1-175.4-177.9-165.9158.15.2111.7F440 E441 Y442 S448F440-R444 WeakPolarHBondContact O-CB 3.47Å; F440-R444 PolarHBondContact O-N 2.74Å; E441-R444 WeakPolarHBondContact O-CB 3.18Å; E441-R444 PolarHBondContact O-N 3.31Å; Y442-R444 VanDerWaalsContact C-N 3.28Å; Y442-R444 PolarHBondContact O-N 3.45Å; R444-S448 PolarHBondContact O-OG 2.97Å
445S60.5Low68.8Low53 Ų5389.7 Ų89.737%0.37147%0.465SS..Iπ-helixtrans-78.8-34-174.862.60000113.9E441 Y442E441-S445 WeakPolarHBondContact O-CB 3.5Å; E441-S445 PolarHBondContact O-N 3.37Å; E441-S445 PolarHBondContact O-OG 3.41Å; E441-S445 VanDerWaalsContact O-OG 3.06Å; Y442-S445 PolarHBondContact O-N 3.19Å; Y442-S445 PolarHBondContact O-OG 2.81Å
446Y58Low69.3Low157 Ų15786.4 Ų86.462%0.61645%0.448SS*.Iπ-helixtrans-117.7-32.5-173.8-66.4-76.5000114.5Y442 S448Y442-Y446 AromaticContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CD2 3.7Å; Y442-Y446 HydrophobicContact CD2-CE2 4.18Å; Y442-Y446 AromaticContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CD2 3.64Å; Y442-Y446 HydrophobicContact CE2-CE2 4.13Å; Y442-Y446 HydrophobicContact CE2-CG 4.34Å; Y442-Y446 HydrophobicContact CG-CD2 4.33Å; Y442-Y446 PolarHBondContact O-N 3.33Å; Y446-S448 PolarHBondContact O-N 3.47Å
447G58.5Low69.6Low51 Ų5187.2 Ų87.253%0.52645%0.447SS..Iπ-helixtrans-76.7-20.2-173.800000114.8Q443Q443-G447 VanDerWaalsContact O-CA 3.3Å; Q443-G447 WeakPolarHBondContact O-CA 3.31Å; Q443-G447 PolarHBondContact O-N 3.41Å
448S64Low70.4Confident48 Ų4888.8 Ų88.834%0.33645%0.447SS..THydrogen-bonded Turntrans-100.9-18.6-176.269.70000114.4Q443 R444 Y446 L452Q443-S448 PolarHBondContact O-N 2.78Å; R444-S448 PolarHBondContact O-OG 2.97Å; Y446-S448 PolarHBondContact O-N 3.47Å; S448-L452 VanDerWaalsContact O-CB 3.23Å; S448-L452 WeakPolarHBondContact O-CB 3.47Å; S448-L452 VanDerWaalsContact O-CD1 3.22Å; S448-L452 WeakPolarHBondContact O-CD1 3.28Å; S448-L452 WeakPolarHBondContact O-CG 3.29Å; S448-L452 PolarHBondContact O-N 3.15Å
449Q66.5Low71Confident53 Ų5383.6 Ų83.625%0.24842%0.424CS..Hα-helixtrans-75-43.7-171.6-67-144.2-14.400113.5L452 A453 V484Q449-L452 PolarHBondContact O-N 3.24Å; Q449-A453 VanDerWaalsContact O-CB 3.31Å; Q449-A453 WeakPolarHBondContact O-CB 3.26Å; Q449-A453 PolarHBondContact O-N 2.79Å; Q449-V484 HydrophobicContact CB-CG2 4.44Å; Q449-V484 HydrophobicContact CG-CG2 4.08Å
450E68.2Low71.5Confident163 Ų16381.2 Ų81.276%0.76241%0.413SS*.Hα-helixtrans-62-46.9179.2-73.4176.1168.600113.3L452 A453 A454E450-L452 PolarHBondContact O-N 3.32Å; E450-A453 PolarHBondContact O-N 3.26Å; E450-A454 WeakPolarHBondContact O-CB 3.23Å; E450-A454 PolarHBondContact O-N 3.37Å
451P75.3Confident71.9Confident80 Ų8081 Ų8152%0.51942%0.42SS..Hα-helixtrans-67.4-34.5176.5-19.832.8000113A454 L455P451-A454 PolarHBondContact O-N 3.11Å; P451-L455 WeakPolarHBondContact O-CB 3.4Å; P451-L455 PolarHBondContact O-N 2.95Å
452L75.7Confident72.5Confident30 Ų3077.4 Ų77.416%0.15741%0.405CS..Hα-helixtrans-70.6-38.1177.5-73173.6000111.6S448 Q449 E450 L455 L456 F477 Y481 V484S448-L452 VanDerWaalsContact O-CB 3.23Å; S448-L452 WeakPolarHBondContact O-CB 3.47Å; S448-L452 VanDerWaalsContact O-CD1 3.22Å; S448-L452 WeakPolarHBondContact O-CD1 3.28Å; S448-L452 WeakPolarHBondContact O-CG 3.29Å; S448-L452 PolarHBondContact O-N 3.15Å; Q449-L452 PolarHBondContact O-N 3.24Å; E450-L452 PolarHBondContact O-N 3.32Å; L452-L455 PolarHBondContact O-N 3.33Å; L452-L456 WeakPolarHBondContact O-CB 3.25Å; L452-L456 PolarHBondContact O-N 3.32Å; L452-F477 HydrophobicContact CB-CZ 4.17Å; L452-F477 HydrophobicContact CD2-CE2 4.42Å; L452-F477 VanDerWaalsContact O-CZ 3.3Å; L452-F477 WeakPolarHBondContact O-CZ 3.36Å; L452-Y481 HydrophobicContact CD1-CD1 3.8Å; L452-Y481 HydrophobicContact CD1-CE1 3.93Å; L452-Y481 HydrophobicContact CD1-CG 4.15Å; L452-Y481 HydrophobicContact CD2-CD2 4.21Å; L452-Y481 HydrophobicContact CD2-CE2 3.99Å; L452-V484 HydrophobicContact CB-CG1 4.36Å
453A75.6Confident72.6Confident38 Ų3874.8 Ų74.831%0.31442%0.416SS..Hα-helixtrans-64.9-42.1172.700000111.4Q449 E450 L455 L456 E457 V484Q449-A453 VanDerWaalsContact O-CB 3.31Å; Q449-A453 WeakPolarHBondContact O-CB 3.26Å; Q449-A453 PolarHBondContact O-N 2.79Å; E450-A453 PolarHBondContact O-N 3.26Å; A453-L455 VanDerWaalsContact C-N 3.34Å; A453-L455 PolarHBondContact O-N 3.34Å; A453-L456 WeakPolarHBondContact O-CB 3.36Å; A453-L456 PolarHBondContact O-N 2.81Å; A453-E457 PolarHBondContact O-N 3.46Å; A453-V484 HydrophobicContact CB-CG1 4.14Å
454A79.1Confident73.1Confident60 Ų6079.1 Ų79.150%0.49643%0.433SS..Hα-helixtrans-61.1-41.5173.900000112.2E450 P451 E457 E458E450-A454 WeakPolarHBondContact O-CB 3.23Å; E450-A454 PolarHBondContact O-N 3.37Å; P451-A454 PolarHBondContact O-N 3.11Å; A454-E457 PolarHBondContact O-N 3.38Å; A454-E458 PolarHBondContact O-N 3.34Å
455L82.1Confident73.6Confident83 Ų8372.6 Ų72.644%0.43541%0.411SS..Hα-helixtrans-66.8-36.2175.9-172.2136.1000112.3P451 L452 A453 E458 V459 F477P451-L455 WeakPolarHBondContact O-CB 3.4Å; P451-L455 PolarHBondContact O-N 2.95Å; L452-L455 PolarHBondContact O-N 3.33Å; A453-L455 VanDerWaalsContact C-N 3.34Å; A453-L455 PolarHBondContact O-N 3.34Å; L455-E458 PolarHBondContact O-N 3.36Å; L455-V459 HydrophobicContact CD2-CG2 4.5Å; L455-V459 VanDerWaalsContact O-CG2 3.31Å; L455-V459 WeakPolarHBondContact O-CG2 3.22Å; L455-V459 PolarHBondContact O-N 3.07Å; L455-F477 HydrophobicContact CD2-CD2 4Å; L455-F477 HydrophobicContact CD2-CE2 3.67Å
456L80.5Confident74.4Confident2 Ų272.7 Ų72.71%0.0141%0.411CS..Hα-helixtrans-63-43.6173.4-177.561.3000111.2L452 A453 V459 I460 L474 F477 Y485 R488 F489L452-L456 WeakPolarHBondContact O-CB 3.25Å; L452-L456 PolarHBondContact O-N 3.32Å; A453-L456 WeakPolarHBondContact O-CB 3.36Å; A453-L456 PolarHBondContact O-N 2.81Å; L456-V459 PolarHBondContact O-N 2.73Å; L456-I460 HydrophobicContact CD1-CD1 4.39Å; L456-I460 HydrophobicContact CG-CD1 4.1Å; L456-I460 WeakPolarHBondContact O-CD1 3.12Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.05Å; L456-I460 PolarHBondContact O-N 3.37Å; L456-I460 VanDerWaalsContact O-N 3.11Å; L456-L474 HydrophobicContact CD1-CG 4.38Å; L456-F477 HydrophobicContact CB-CE1 4.07Å; L456-F477 HydrophobicContact CB-CE2 4.34Å; L456-F477 HydrophobicContact CB-CZ 3.91Å; L456-F477 HydrophobicContact CD1-CD1 3.78Å; L456-F477 HydrophobicContact CD1-CE1 4.04Å; L456-F477 HydrophobicContact CD1-CG 4.06Å; L456-F477 HydrophobicContact CD2-CD1 4.42Å; L456-F477 HydrophobicContact CD2-CE1 4.03Å; L456-F477 HydrophobicContact CG-CE1 4.27Å; L456-Y485 HydrophobicContact CD1-CD2 4.42Å; L456-Y485 HydrophobicContact CD2-CD2 4.48Å; L456-R488 HydrophobicContact CD2-CB 3.84Å; L456-R488 HydrophobicContact CD2-CG 4.04Å; L456-F489 HydrophobicContact CD2-CE2 4.39Å
457E80.7Confident75Confident55 Ų5569.3 Ų69.326%0.25741%0.411SS..Hα-helixtrans-64.6-39.4175.8-74-54.8115.600112.9A453 A454 V459 I460 T461 R488A453-E457 PolarHBondContact O-N 3.46Å; A454-E457 PolarHBondContact O-N 3.38Å; E457-V459 VanDerWaalsContact C-N 3.34Å; E457-V459 PolarHBondContact O-N 2.89Å; E457-I460 PolarHBondContact O-N 3.39Å; E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.34Å; E457-T461 PolarHBondContact O-N 3.08Å; E457-T461 PolarHBondContact O-OG1 2.86Å; E457-R488 VanDerWaalsContact CD-CZ 3.49Å; E457-R488 IonicContact OE1-CZ 2.89Å; E457-R488 IonicContact OE1-NE 3.3Å; E457-R488 PolarHBondContact OE1-NE 3.27Å; E457-R488 IonicContact OE1-NH2 2.93Å; E457-R488 PolarHBondContact OE1-NH2 2.81Å; E457-R488 IonicContact OE2-CZ 3.63Å; E457-R488 IonicContact OE2-NE 3.36Å; E457-R488 IonicContact OE2-NH2 3.11Å; E457-R488 PolarHBondContact OE2-NH2 3.08Å
458E82.1Confident75.7Confident128 Ų12875.3 Ų75.360%0.59842%0.422SS*.Hα-helixtrans-62.2-43.2175.9-168.4-179.617900111A454 L455 I460 T461 D462A454-E458 PolarHBondContact O-N 3.34Å; L455-E458 PolarHBondContact O-N 3.36Å; E458-I460 VanDerWaalsContact C-N 3.3Å; E458-I460 PolarHBondContact O-N 3.43Å; E458-T461 PolarHBondContact O-N 3.42Å; E458-T461 PolarHBondContact O-OG1 3.23Å; E458-D462 VanDerWaalsContact O-CB 3.22Å; E458-D462 WeakPolarHBondContact O-CB 3.3Å; E458-D462 PolarHBondContact O-N 3.48Å
459V81.1Confident76.3Confident25 Ų2577.7 Ų77.715%0.15243%0.428CS..Hα-helixtrans-64.1-34.3176.6173.10000112.3L455 L456 E457 K473 L474L455-V459 HydrophobicContact CD2-CG2 4.5Å; L455-V459 VanDerWaalsContact O-CG2 3.31Å; L455-V459 WeakPolarHBondContact O-CG2 3.22Å; L455-V459 PolarHBondContact O-N 3.07Å; L456-V459 PolarHBondContact O-N 2.73Å; E457-V459 VanDerWaalsContact C-N 3.34Å; E457-V459 PolarHBondContact O-N 2.89Å; V459-K473 HydrophobicContact CG1-CB 3.89Å; V459-K473 HydrophobicContact CG1-CD 4.31Å; V459-L474 HydrophobicContact CG1-CD1 3.82Å
460I78.3Confident77Confident23 Ų2376.7 Ų76.712%0.11842%0.423CS..Hα-helixtrans-72.4-46.2177.4-67.8162.4000110.7L456 E457 E458 K470 L474 F489 L498L456-I460 HydrophobicContact CD1-CD1 4.39Å; L456-I460 HydrophobicContact CG-CD1 4.1Å; L456-I460 WeakPolarHBondContact O-CD1 3.12Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.05Å; L456-I460 PolarHBondContact O-N 3.37Å; L456-I460 VanDerWaalsContact O-N 3.11Å; E457-I460 PolarHBondContact O-N 3.39Å; E458-I460 VanDerWaalsContact C-N 3.3Å; E458-I460 PolarHBondContact O-N 3.43Å; I460-K470 PolarHBondContact O-NZ 2.73Å; I460-L474 HydrophobicContact CG1-CD1 4.23Å; I460-L474 HydrophobicContact CG1-CD2 4.4Å; I460-F489 HydrophobicContact CD1-CE2 4.13Å; I460-F489 HydrophobicContact CD1-CZ 3.7Å; I460-L498 HydrophobicContact CD1-CD1 4.23Å; I460-L498 HydrophobicContact CG1-CD1 4.39Å; I460-L498 HydrophobicContact CG2-CD1 3.76Å; I460-L498 HydrophobicContact CG2-CD2 3.85Å; I460-L498 HydrophobicContact CG2-CG 4.46Å
461T78.7Confident77.5Confident97 Ų9773.5 Ų73.560%0.59541%0.406SS*.Hα-helixtrans-81.2-19-173.755.50000114.1E457 E458 A463E457-T461 WeakPolarHBondContact O-CB 3.33Å; E457-T461 WeakPolarHBondContact O-CG2 3.34Å; E457-T461 PolarHBondContact O-N 3.08Å; E457-T461 PolarHBondContact O-OG1 2.86Å; E458-T461 PolarHBondContact O-N 3.42Å; E458-T461 PolarHBondContact O-OG1 3.23Å; T461-A463 PolarHBondContact O-N 3.09Å; T461-A463 VanDerWaalsContact O-N 3.08Å
462D79.1Confident77.8Confident52 Ų5277.1 Ų77.128%0.27841%0.414SS..  trans-61.5111.4-178.2-175.3-1.6000112.4E458 K464 L465 K470E458-D462 VanDerWaalsContact O-CB 3.22Å; E458-D462 WeakPolarHBondContact O-CB 3.3Å; E458-D462 PolarHBondContact O-N 3.48Å; D462-K464 PolarHBondContact O-N 2.95Å; D462-K464 VanDerWaalsContact OD1-CB 3.29Å; D462-K464 WeakPolarHBondContact OD1-CB 3.3Å; D462-K464 PolarHBondContact OD1-N 3.49Å; D462-L465 HydrophobicContact CB-CD1 4.13Å; D462-L465 HydrophobicContact CB-CG 4.43Å; D462-K470 WeakPolarHBondContact O-CE 3.33Å; D462-K470 PolarHBondContact O-NZ 3.23Å
463A70.4Confident78Confident99 Ų9980.2 Ų80.282%0.81843%0.426SS*.THydrogen-bonded Turntrans-72.9-10.9-18000000114.1T461T461-A463 PolarHBondContact O-N 3.09Å; T461-A463 VanDerWaalsContact O-N 3.08Å
464K76.4Confident78.4Confident195 Ų19578.7 Ų78.785%0.84841%0.413SS*.THydrogen-bonded Turntrans-83.4-15.9-179.4-61177.1-179.6173.90113.2D462D462-K464 PolarHBondContact O-N 2.95Å; D462-K464 VanDerWaalsContact OD1-CB 3.29Å; D462-K464 WeakPolarHBondContact OD1-CB 3.3Å; D462-K464 PolarHBondContact OD1-N 3.49Å
465L74.4Confident78.5Confident33 Ų3381.9 Ų81.917%0.17342%0.416CS..SBendtrans-93132.2-178.5-65.2172000111.7D462 K470 K473D462-L465 HydrophobicContact CB-CD1 4.13Å; D462-L465 HydrophobicContact CB-CG 4.43Å; L465-K470 HydrophobicContact CB-CD 4.41Å; L465-K470 HydrophobicContact CB-CG 3.67Å; L465-K470 HydrophobicContact CD1-CG 4.43Å; L465-K470 WeakPolarHBondContact O-CE 3.31Å; L465-K473 HydrophobicContact CD1-CD 4.11Å
466S77.4Confident78.4Confident54 Ų5484 Ų8438%0.37842%0.423SS..  trans-66.4153.7173.468.90000111.5K468 E469 K470S466-K468 PolarHBondContact O-N 3.33Å; S466-K468 VanDerWaalsContact O-N 3.08Å; S466-E469 WeakPolarHBondContact CB-OE2 3.22Å; S466-E469 PolarHBondContact N-OE2 3.28Å; S466-E469 PolarHBondContact O-N 3.11Å; S466-E469 VanDerWaalsContact OG-CG 3.28Å; S466-E469 WeakPolarHBondContact OG-CG 3.38Å; S466-E469 PolarHBondContact OG-N 3.39Å; S466-E469 PolarHBondContact OG-OE2 3.07Å; S466-K470 PolarHBondContact O-N 3.12Å
467S72.1Confident78.6Confident87 Ų8784.8 Ų84.861%0.60843%0.426SS*.Hα-helixtrans-56.6-29.4179.158.10000113.4K471S467-K471 WeakPolarHBondContact O-CB 3.36Å; S467-K471 PolarHBondContact O-N 3.49Å
468K71.9Confident78.7Confident177 Ų17786 Ų8677%0.7743%0.432SS*.Hα-helixtrans-73.4-37.9176.1-167.6176.4-179.7-176.60112.4S466 K472S466-K468 PolarHBondContact O-N 3.33Å; S466-K468 VanDerWaalsContact O-N 3.08Å; K468-K472 PolarHBondContact O-N 3.25Å; K468-K472 VanDerWaalsContact O-N 3.17Å
469E78Confident78.7Confident98 Ų9888.9 Ų88.946%0.45844%0.443SS..Hα-helixtrans-75-39.4177.6-72162.1152.300111.9S466 K471 K472 K473S466-E469 WeakPolarHBondContact CB-OE2 3.22Å; S466-E469 PolarHBondContact N-OE2 3.28Å; S466-E469 PolarHBondContact O-N 3.11Å; S466-E469 VanDerWaalsContact OG-CG 3.28Å; S466-E469 WeakPolarHBondContact OG-CG 3.38Å; S466-E469 PolarHBondContact OG-N 3.39Å; S466-E469 PolarHBondContact OG-OE2 3.07Å; E469-K471 VanDerWaalsContact C-N 3.34Å; E469-K471 PolarHBondContact O-N 3.34Å; E469-K472 PolarHBondContact O-N 2.8Å; E469-K472 VanDerWaalsContact O-N 3.15Å; E469-K473 PolarHBondContact O-N 3.23Å
470K80.4Confident78.5Confident32 Ų3291 Ų9114%0.13946%0.459CS..Hα-helixtrans-56.9-48.9171.5-67.3-171.5177.2-169.80110.6I460 D462 L465 S466 K472 K473 L474 F499I460-K470 PolarHBondContact O-NZ 2.73Å; D462-K470 WeakPolarHBondContact O-CE 3.33Å; D462-K470 PolarHBondContact O-NZ 3.23Å; L465-K470 HydrophobicContact CB-CD 4.41Å; L465-K470 HydrophobicContact CB-CG 3.67Å; L465-K470 HydrophobicContact CD1-CG 4.43Å; L465-K470 WeakPolarHBondContact O-CE 3.31Å; S466-K470 PolarHBondContact O-N 3.12Å; K470-K472 VanDerWaalsContact C-N 3.27Å; K470-K472 PolarHBondContact O-N 3.45Å; K470-K473 PolarHBondContact O-N 3.1Å; K470-L474 HydrophobicContact CB-CD1 4.44Å; K470-L474 WeakPolarHBondContact O-CB 3.45Å; K470-L474 WeakPolarHBondContact O-CD1 3.47Å; K470-L474 PolarHBondContact O-N 2.99Å; K470-F499 HydrophobicContact CB-CE1 4.14Å; K470-F499 HydrophobicContact CB-CZ 3.77Å
471K78.6Confident78.5Confident95 Ų9595.3 Ų95.341%0.41347%0.474SS..Hα-helixtrans-61.1-33.7177.1-164.5166.2-170.6162.40113S467 E469 K475S467-K471 WeakPolarHBondContact O-CB 3.36Å; S467-K471 PolarHBondContact O-N 3.49Å; E469-K471 VanDerWaalsContact C-N 3.34Å; E469-K471 PolarHBondContact O-N 3.34Å; K471-K475 WeakPolarHBondContact O-CB 3.33Å; K471-K475 WeakPolarHBondContact O-CG 3.44Å; K471-K475 PolarHBondContact O-N 3.11Å; K471-K475 VanDerWaalsContact O-N 3.11Å
472K81.1Confident78.5Confident157 Ų15793.7 Ų93.768%0.68347%0.466SS*.Hα-helixtrans-71.3-44.4176-168.5-178.7178.6-1740111.7K468 E469 K470 K475 Q476K468-K472 PolarHBondContact O-N 3.25Å; K468-K472 VanDerWaalsContact O-N 3.17Å; E469-K472 PolarHBondContact O-N 2.8Å; E469-K472 VanDerWaalsContact O-N 3.15Å; K470-K472 VanDerWaalsContact C-N 3.27Å; K470-K472 PolarHBondContact O-N 3.45Å; K472-K475 PolarHBondContact O-N 3.43Å; K472-Q476 WeakPolarHBondContact O-CB 3.45Å; K472-Q476 PolarHBondContact O-N 2.8Å
473K81.1Confident78.3Confident95 Ų9598 Ų9841%0.41348%0.484SS..Hα-helixtrans-66.9-40.9176.9-73.3-172.5176.4-177.70111.8V459 L465 E469 K470 Q476 F477V459-K473 HydrophobicContact CG1-CB 3.89Å; V459-K473 HydrophobicContact CG1-CD 4.31Å; L465-K473 HydrophobicContact CD1-CD 4.11Å; E469-K473 PolarHBondContact O-N 3.23Å; K470-K473 PolarHBondContact O-N 3.1Å; K473-Q476 PolarHBondContact O-N 3.19Å; K473-F477 WeakPolarHBondContact O-CB 3.48Å; K473-F477 PolarHBondContact O-N 3.21Å
474L82.6Confident78.7Confident5 Ų593.7 Ų93.73%0.02645%0.447CS..Hα-helixtrans-62.2-43.2173.8-92.683.7000111.7L456 V459 I460 K470 Q476 F477 Q478 Y485 F489 F499L456-L474 HydrophobicContact CD1-CG 4.38Å; V459-L474 HydrophobicContact CG1-CD1 3.82Å; I460-L474 HydrophobicContact CG1-CD1 4.23Å; I460-L474 HydrophobicContact CG1-CD2 4.4Å; K470-L474 HydrophobicContact CB-CD1 4.44Å; K470-L474 WeakPolarHBondContact O-CB 3.45Å; K470-L474 WeakPolarHBondContact O-CD1 3.47Å; K470-L474 PolarHBondContact O-N 2.99Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.47Å; L474-F477 PolarHBondContact O-N 2.94Å; L474-Q478 WeakPolarHBondContact O-CB 2.85Å; L474-Q478 PolarHBondContact O-N 2.87Å; L474-Y485 HydrophobicContact CB-CE2 4.36Å; L474-Y485 HydrophobicContact CD2-CE2 4.12Å; L474-Y485 HydrophobicContact CG-CE2 4.39Å; L474-F489 HydrophobicContact CD2-CE2 4.19Å; L474-F489 HydrophobicContact CD2-CZ 4.31Å; L474-F499 HydrophobicContact CD2-CE2 4.18Å
475K81.2Confident78.9Confident128 Ų12884.7 Ų84.756%0.55741%0.408SS*.Hα-helixtrans-63.5-37.7174.3-79-173.9175.2-164.90113K471 K472 K479K471-K475 WeakPolarHBondContact O-CB 3.33Å; K471-K475 WeakPolarHBondContact O-CG 3.44Å; K471-K475 PolarHBondContact O-N 3.11Å; K471-K475 VanDerWaalsContact O-N 3.11Å; K472-K475 PolarHBondContact O-N 3.43Å; K475-K479 WeakPolarHBondContact O-CB 3.29Å; K475-K479 PolarHBondContact O-N 2.73Å; K475-K479 VanDerWaalsContact O-N 3.11Å
476Q81.3Confident79Confident127 Ų12789.3 Ų89.359%0.59343%0.429SS*.Hα-helixtrans-68.1-39.4175.3-174.3173.8-2.700111.2K472 K473 L474 K479 S480K472-Q476 WeakPolarHBondContact O-CB 3.45Å; K472-Q476 PolarHBondContact O-N 2.8Å; K473-Q476 PolarHBondContact O-N 3.19Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-Q476 PolarHBondContact O-N 3.47Å; Q476-K479 PolarHBondContact O-N 3.34Å; Q476-S480 PolarHBondContact O-N 3.14Å; Q476-S480 VanDerWaalsContact O-N 3.12Å; Q476-S480 PolarHBondContact O-OG 2.76Å; Q476-S480 VanDerWaalsContact O-OG 3.07Å
477F83.1Confident78.9Confident18 Ų1893.2 Ų93.28%0.07944%0.441CS..Hα-helixtrans-65.7-46.8175.9-166.9-81.1000111.5L452 L455 L456 K473 L474 K479 S480 Y481 V484 Y485L452-F477 HydrophobicContact CB-CZ 4.17Å; L452-F477 HydrophobicContact CD2-CE2 4.42Å; L452-F477 VanDerWaalsContact O-CZ 3.3Å; L452-F477 WeakPolarHBondContact O-CZ 3.36Å; L455-F477 HydrophobicContact CD2-CD2 4Å; L455-F477 HydrophobicContact CD2-CE2 3.67Å; L456-F477 HydrophobicContact CB-CE1 4.07Å; L456-F477 HydrophobicContact CB-CE2 4.34Å; L456-F477 HydrophobicContact CB-CZ 3.91Å; L456-F477 HydrophobicContact CD1-CD1 3.78Å; L456-F477 HydrophobicContact CD1-CE1 4.04Å; L456-F477 HydrophobicContact CD1-CG 4.06Å; L456-F477 HydrophobicContact CD2-CD1 4.42Å; L456-F477 HydrophobicContact CD2-CE1 4.03Å; L456-F477 HydrophobicContact CG-CE1 4.27Å; K473-F477 WeakPolarHBondContact O-CB 3.48Å; K473-F477 PolarHBondContact O-N 3.21Å; L474-F477 PolarHBondContact O-N 2.94Å; F477-K479 PolarHBondContact O-N 2.87Å; F477-S480 PolarHBondContact O-N 3.1Å; F477-S480 VanDerWaalsContact O-N 3.1Å; F477-Y481 HydrophobicContact CD2-CD2 4.38Å; F477-Y481 HydrophobicContact CE2-CD2 4.19Å; F477-Y481 HydrophobicContact CZ-CD2 4.31Å; F477-Y481 PolarHBondContact O-N 3.23Å; F477-V484 HydrophobicContact CE1-CB 4.43Å; F477-V484 HydrophobicContact CE1-CG1 4.32Å; F477-V484 HydrophobicContact CZ-CG1 4.45Å; F477-Y485 HydrophobicContact CD1-CD2 4.45Å
478Q82.8Confident79.1Confident81 Ų8195.5 Ų95.538%0.37944%0.437SS..Hα-helixtrans-56.5-38.2174.6-177-177.129.100112.2L474 P482 Y485L474-Q478 WeakPolarHBondContact O-CB 2.85Å; L474-Q478 PolarHBondContact O-N 2.87Å; Q478-P482 WeakPolarHBondContact O-CA 3.29Å; Q478-Y485 HydrophobicContact CB-CD1 4.03Å; Q478-Y485 HydrophobicContact CB-CD2 3.92Å; Q478-Y485 HydrophobicContact CB-CE1 4.24Å; Q478-Y485 HydrophobicContact CB-CE2 4.15Å; Q478-Y485 HydrophobicContact CB-CG 3.85Å; Q478-Y485 HydrophobicContact CG-CD1 3.62Å; Q478-Y485 HydrophobicContact CG-CD2 4.44Å; Q478-Y485 HydrophobicContact CG-CE1 3.86Å; Q478-Y485 HydrophobicContact CG-CG 3.93Å
479K82Confident79.3Confident188 Ų18888 Ų8882%0.81740%0.404SS*.Hα-helixtrans-70.3-36.4177.6-173.4176.3179.6-1780112.6K475 Q476 F477K475-K479 WeakPolarHBondContact O-CB 3.29Å; K475-K479 PolarHBondContact O-N 2.73Å; K475-K479 VanDerWaalsContact O-N 3.11Å; Q476-K479 PolarHBondContact O-N 3.34Å; F477-K479 PolarHBondContact O-N 2.87Å
480S77.8Confident78.9Confident70 Ų7088.1 Ų88.149%0.4941%0.413SS..Hα-helixtrans-85.3-33.8-177.2-58.20000113Q476 F477Q476-S480 PolarHBondContact O-N 3.14Å; Q476-S480 VanDerWaalsContact O-N 3.12Å; Q476-S480 PolarHBondContact O-OG 2.76Å; Q476-S480 VanDerWaalsContact O-OG 3.07Å; F477-S480 PolarHBondContact O-N 3.1Å; F477-S480 VanDerWaalsContact O-N 3.1Å
481Y78.9Confident78.5Confident113 Ų11390 Ų9044%0.44343%0.427SS..  trans-140.171.9-173-54.4-69.8000110.7L452 F477 E483 Y485L452-Y481 HydrophobicContact CD1-CD1 3.8Å; L452-Y481 HydrophobicContact CD1-CE1 3.93Å; L452-Y481 HydrophobicContact CD1-CG 4.15Å; L452-Y481 HydrophobicContact CD2-CD2 4.21Å; L452-Y481 HydrophobicContact CD2-CE2 3.99Å; F477-Y481 HydrophobicContact CD2-CD2 4.38Å; F477-Y481 HydrophobicContact CE2-CD2 4.19Å; F477-Y481 HydrophobicContact CZ-CD2 4.31Å; F477-Y481 PolarHBondContact O-N 3.23Å; Y481-E483 PolarHBondContact O-N 2.94Å; Y481-Y485 PolarHBondContact O-N 3.34Å
482P78.2Confident77.7Confident64 Ų6490.5 Ų90.542%0.41644%0.441SS..Hα-helixtrans-67.4-33.6-173.425.1-33.6000113.5Q478 Y485 Q486Q478-P482 WeakPolarHBondContact O-CA 3.29Å; P482-Y485 PolarHBondContact O-N 3.05Å; P482-Q486 WeakPolarHBondContact O-CB 3.28Å; P482-Q486 VanDerWaalsContact O-CG 3.31Å; P482-Q486 WeakPolarHBondContact O-CG 3.42Å; P482-Q486 PolarHBondContact O-N 3.29Å
483E75.3Confident76.7Confident141 Ų14190.2 Ų90.266%0.65944%0.441SS*.Hα-helixtrans-66.7-49.3-177.4-65175.3-174.400111.8Y481 Y485 Q486 E487Y481-E483 PolarHBondContact O-N 2.94Å; E483-Y485 VanDerWaalsContact C-N 3.28Å; E483-Y485 PolarHBondContact O-N 3.48Å; E483-Q486 PolarHBondContact O-N 3.18Å; E483-E487 PolarHBondContact O-N 3.35Å
484V78.2Confident75.8Confident9 Ų987 Ų876%0.05543%0.431CS..Hα-helixtrans-65-33.8177.6-177.10000111.4Q449 L452 A453 F477 R488Q449-V484 HydrophobicContact CB-CG2 4.44Å; Q449-V484 HydrophobicContact CG-CG2 4.08Å; L452-V484 HydrophobicContact CB-CG1 4.36Å; A453-V484 HydrophobicContact CB-CG1 4.14Å; F477-V484 HydrophobicContact CE1-CB 4.43Å; F477-V484 HydrophobicContact CE1-CG1 4.32Å; F477-V484 HydrophobicContact CZ-CG1 4.45Å; V484-R488 PolarHBondContact O-N 3.15Å
485Y79.9Confident74.9Confident7 Ų790 Ų903%0.02745%0.445CS..Hα-helixtrans-69-41.1175.3-173.7-89.6000112.3L456 L474 F477 Q478 Y481 P482 E483 R488 F489 E495L456-Y485 HydrophobicContact CD1-CD2 4.42Å; L456-Y485 HydrophobicContact CD2-CD2 4.48Å; L474-Y485 HydrophobicContact CB-CE2 4.36Å; L474-Y485 HydrophobicContact CD2-CE2 4.12Å; L474-Y485 HydrophobicContact CG-CE2 4.39Å; F477-Y485 HydrophobicContact CD1-CD2 4.45Å; Q478-Y485 HydrophobicContact CB-CD1 4.03Å; Q478-Y485 HydrophobicContact CB-CD2 3.92Å; Q478-Y485 HydrophobicContact CB-CE1 4.24Å; Q478-Y485 HydrophobicContact CB-CE2 4.15Å; Q478-Y485 HydrophobicContact CB-CG 3.85Å; Q478-Y485 HydrophobicContact CG-CD1 3.62Å; Q478-Y485 HydrophobicContact CG-CD2 4.44Å; Q478-Y485 HydrophobicContact CG-CE1 3.86Å; Q478-Y485 HydrophobicContact CG-CG 3.93Å; Y481-Y485 PolarHBondContact O-N 3.34Å; P482-Y485 PolarHBondContact O-N 3.05Å; E483-Y485 VanDerWaalsContact C-N 3.28Å; E483-Y485 PolarHBondContact O-N 3.48Å; Y485-R488 PolarHBondContact O-N 3.17Å; Y485-F489 HydrophobicContact CD1-CD2 4.34Å; Y485-F489 AromaticContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CE2 4.27Å; Y485-F489 HydrophobicContact CE1-CB 4.32Å; Y485-F489 HydrophobicContact CE1-CD2 4.04Å; Y485-F489 AromaticContact CE2-CD2 3.64Å; Y485-F489 HydrophobicContact CE2-CD2 3.64Å; Y485-F489 AromaticContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CG-CD2 4.32Å; Y485-F489 AromaticContact CZ-CD2 3.68Å; Y485-F489 PolarHBondContact O-N 3.36Å; Y485-E495 PolarHBondContact OH-OE1 3.16Å
486Q77.1Confident73.9Confident130 Ų13086.2 Ų86.261%0.60744%0.437SS*.Hα-helixtrans-69-33.5177.7-76.81786.700112.7P482 E483 R488 F489 P490P482-Q486 WeakPolarHBondContact O-CB 3.28Å; P482-Q486 VanDerWaalsContact O-CG 3.31Å; P482-Q486 WeakPolarHBondContact O-CG 3.42Å; P482-Q486 PolarHBondContact O-N 3.29Å; E483-Q486 PolarHBondContact O-N 3.18Å; Q486-R488 VanDerWaalsContact C-N 3.32Å; Q486-F489 CarbonylContact O-C 3.58Å; Q486-F489 VanDerWaalsContact O-C 3.24Å; Q486-P490 VanDerWaalsContact O-CA 3.31Å; Q486-P490 WeakPolarHBondContact O-CA 3.26Å; Q486-P490 VanDerWaalsContact O-N 3.15Å
487E76.6Confident73.1Confident136 Ų13687.3 Ų87.364%0.63645%0.447SS*.Hα-helixtrans-65.4-36.9174.5-165.1177.9-168.400111.8E483E483-E487 PolarHBondContact O-N 3.35Å
488R75Confident72Confident135 Ų13590.1 Ų90.151%0.50946%0.462SS..Hα-helixtrans-80.5-31.9176-172.154.6170.5-179.9-1.8113.8L456 E457 V484 Y485 Q486 P490L456-R488 HydrophobicContact CD2-CB 3.84Å; L456-R488 HydrophobicContact CD2-CG 4.04Å; E457-R488 VanDerWaalsContact CD-CZ 3.49Å; E457-R488 IonicContact OE1-CZ 2.89Å; E457-R488 IonicContact OE1-NE 3.3Å; E457-R488 PolarHBondContact OE1-NE 3.27Å; E457-R488 IonicContact OE1-NH2 2.93Å; E457-R488 PolarHBondContact OE1-NH2 2.81Å; E457-R488 IonicContact OE2-CZ 3.63Å; E457-R488 IonicContact OE2-NE 3.36Å; E457-R488 IonicContact OE2-NH2 3.11Å; E457-R488 PolarHBondContact OE2-NH2 3.08Å; V484-R488 PolarHBondContact O-N 3.15Å; Y485-R488 PolarHBondContact O-N 3.17Å; Q486-R488 VanDerWaalsContact C-N 3.32Å; R488-P490 VanDerWaalsContact C-CD 3.49Å; R488-P490 WeakPolarHBondContact O-CD 3.25Å
489F77.1Confident71Confident19 Ų1988.2 Ų88.28%0.08345%0.453CS..  trans-123.472.9177.4-59.1-73.4000111.9L456 I460 L474 Y485 Q486 T491 S494 E495 L498L456-F489 HydrophobicContact CD2-CE2 4.39Å; I460-F489 HydrophobicContact CD1-CE2 4.13Å; I460-F489 HydrophobicContact CD1-CZ 3.7Å; L474-F489 HydrophobicContact CD2-CE2 4.19Å; L474-F489 HydrophobicContact CD2-CZ 4.31Å; Y485-F489 HydrophobicContact CD1-CD2 4.34Å; Y485-F489 AromaticContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CD2 3.98Å; Y485-F489 HydrophobicContact CD2-CE2 4.27Å; Y485-F489 HydrophobicContact CE1-CB 4.32Å; Y485-F489 HydrophobicContact CE1-CD2 4.04Å; Y485-F489 AromaticContact CE2-CD2 3.64Å; Y485-F489 HydrophobicContact CE2-CD2 3.64Å; Y485-F489 AromaticContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CE2-CE2 3.82Å; Y485-F489 HydrophobicContact CG-CD2 4.32Å; Y485-F489 AromaticContact CZ-CD2 3.68Å; Y485-F489 PolarHBondContact O-N 3.36Å; Q486-F489 CarbonylContact O-C 3.58Å; Q486-F489 VanDerWaalsContact O-C 3.24Å; F489-T491 VanDerWaalsContact C-N 3.27Å; F489-T491 PolarHBondContact O-N 2.98Å; F489-S494 WeakPolarHBondContact CA-OG 3.47Å; F489-E495 HydrophobicContact CD1-CB 4.18Å; F489-L498 HydrophobicContact CE1-CD1 3.59Å; F489-L498 HydrophobicContact CZ-CD1 3.64Å
490P69.9Low69.7Low100 Ų10084.5 Ų84.565%0.64945%0.448SS*.SBendtrans-71-23.9-177.2-17.331.8000113.1Q486 R488Q486-P490 VanDerWaalsContact O-CA 3.31Å; Q486-P490 WeakPolarHBondContact O-CA 3.26Å; Q486-P490 VanDerWaalsContact O-N 3.15Å; R488-P490 VanDerWaalsContact C-CD 3.49Å; R488-P490 WeakPolarHBondContact O-CD 3.25Å
491T70.1Confident68.4Low71 Ų7188.5 Ų88.544%0.43646%0.459SS..SBendtrans-129.3145.1-177.256.10000111.2F489 E493 S494F489-T491 VanDerWaalsContact C-N 3.27Å; F489-T491 PolarHBondContact O-N 2.98Å; T491-E493 PolarHBondContact O-N 2.72Å; T491-E493 VanDerWaalsContact O-N 3.1Å; T491-S494 PolarHBondContact O-N 3.09Å; T491-S494 PolarHBondContact O-OG 3.37Å
492P62.9Low66.9Low107 Ų10792.1 Ų92.170%0.69548%0.477SS*.Hα-helixtrans-63.7-17.4179.625.9-34000113.4A496P492-A496 PolarHBondContact O-N 3.12Å
493E60.1Low64.9Low150 Ų15094.9 Ų94.970%0.70150%0.495SS*.Hα-helixtrans-71-35174.9-62.7173.6178.300112.3T491 A496 L497T491-E493 PolarHBondContact O-N 2.72Å; T491-E493 VanDerWaalsContact O-N 3.1Å; E493-A496 PolarHBondContact O-N 3.06Å; E493-L497 PolarHBondContact O-N 2.91Å
494S62.7Low63.3Low29 Ų2996.6 Ų96.620%0.20350%0.5CS..Hα-helixtrans-69.5-31.7177.768.10000112.9F489 T491F489-S494 WeakPolarHBondContact CA-OG 3.47Å; T491-S494 PolarHBondContact O-N 3.09Å; T491-S494 PolarHBondContact O-OG 3.37Å
495E63.7Low61.6Low67 Ų67102 Ų10231%0.31354%0.536SS..Hα-helixtrans-74.3-36.8173.5-167.1-174.1167.900111.2Y485 F489 L497 L498 F499Y485-E495 PolarHBondContact OH-OE1 3.16Å; F489-E495 HydrophobicContact CD1-CB 4.18Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.07Å; E495-L498 PolarHBondContact O-N 3.46Å; E495-F499 PolarHBondContact O-N 3.38Å
496A60.4Low59.5Low48 Ų48111 Ų11140%0.39758%0.575SS.*Hα-helixtrans-68.6-25-179.200000113.8P492 E493 L498 F499P492-A496 PolarHBondContact O-N 3.12Å; E493-A496 PolarHBondContact O-N 3.06Å; A496-L498 VanDerWaalsContact C-N 3.31Å; A496-L498 PolarHBondContact O-N 2.95Å; A496-F499 CarbonylContact O-C 3.55Å; A496-F499 VanDerWaalsContact O-C 3.26Å; A496-F499 PolarHBondContact O-N 3.11Å
497L62.9Low57.7Low151 Ų151110.8 Ų110.879%0.79159%0.585SS**THydrogen-bonded Turntrans-65.7-30.3174.5-77.2167.1000113.1E493 E495E493-L497 PolarHBondContact O-N 2.91Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.07Å
498L61.5Low55.9Low77 Ų77113.2 Ų113.240%0.40360%0.596SS.*THydrogen-bonded Turntrans-88.7-26.8178.4-67.9172000112.7I460 F489 E495 A496I460-L498 HydrophobicContact CD1-CD1 4.23Å; I460-L498 HydrophobicContact CG1-CD1 4.39Å; I460-L498 HydrophobicContact CG2-CD1 3.76Å; I460-L498 HydrophobicContact CG2-CD2 3.85Å; I460-L498 HydrophobicContact CG2-CG 4.46Å; F489-L498 HydrophobicContact CE1-CD1 3.59Å; F489-L498 HydrophobicContact CZ-CD1 3.64Å; E495-L498 PolarHBondContact O-N 3.46Å; A496-L498 VanDerWaalsContact C-N 3.31Å; A496-L498 PolarHBondContact O-N 2.95Å
499F61.3Low54.2Low40 Ų40114.7 Ų114.718%0.17561%0.613CS.*SBendtrans-137.188.5178.3-58.4-78.7000110.3K470 L474 E495 A496 E501K470-F499 HydrophobicContact CB-CE1 4.14Å; K470-F499 HydrophobicContact CB-CZ 3.77Å; L474-F499 HydrophobicContact CD2-CE2 4.18Å; E495-F499 PolarHBondContact O-N 3.38Å; A496-F499 CarbonylContact O-C 3.55Å; A496-F499 VanDerWaalsContact O-C 3.26Å; A496-F499 PolarHBondContact O-N 3.11Å; F499-E501 PolarHBondContact O-N 3.11Å
500P54.9Low52.4Low110 Ų110121.4 Ų121.471%0.71465%0.649SS**PPolyproline II helixtrans-58.1128.5176.921-31.2000110.3K502P500-K502 PolarHBondContact O-N 3.07Å
501E50.4Low50.8Low155 Ų155124.6 Ų124.672%0.72466%0.657SS**PPolyproline II helixtrans-60.5130.4174.6-77.5-149143.300109.7F499F499-E501 PolarHBondContact O-N 3.11Å
502K47.2Very low49.2Very low188 Ų188132.8 Ų132.882%0.81768%0.68SS**PPolyproline II helixtrans-63.4137.6166.7-72-174.3176.5-174.60108.5P500 K504P500-K502 PolarHBondContact O-N 3.07Å; K502-K504 PolarHBondContact O-N 3.49Å
503P36.2Very low48Very low122 Ų122131.9 Ų131.979%0.79268%0.682SS**PPolyproline II helixtrans-58.9126.6178.122.7-31.1000110
504K40.9Very low47.4Very low177 Ų177132.6 Ų132.677%0.7769%0.689SS**PPolyproline II helixtrans-62.7126.3173.1-71174.3-177.1168.20108.7K502K502-K504 PolarHBondContact O-N 3.49Å
505P42.7Very low46Very low124 Ų124140.8 Ų140.881%0.80572%0.721SS**PPolyproline II helixtrans-64.2137.2168.225.6-30.3000109.4
506K35.4Very low44.7Very low196 Ų196147 Ų14785%0.85275%0.748SS**PPolyproline II helixtrans-49.5143179.9-69.9175.5176.3176.70111.4Q508K506-Q508 PolarHBondContact O-N 3.36Å
507P39.5Very low43.8Very low125 Ų125150.4 Ų150.481%0.81277%0.765SS**PPolyproline II helixtrans-67117.4172.927.6-31.6000109.5L509P507-L509 PolarHBondContact O-N 3.48Å
508Q39.2Very low42.6Very low187 Ų187153.1 Ų153.187%0.87477%0.771SS**  trans-71.2112.9163.9-79.3-179.7-27.100108K506 L510K506-Q508 PolarHBondContact O-N 3.36Å; Q508-L510 PolarHBondContact O-N 2.7Å; Q508-L510 VanDerWaalsContact O-N 3.12Å
509L39.6Very low41.7Very low166 Ų166158 Ų15887%0.86979%0.792SS**  trans-56.6108.7166.9-81.3153.5000109.4P507 M511P507-L509 PolarHBondContact O-N 3.48Å; L509-M511 PolarHBondContact O-N 3.49Å; L509-M511 VanDerWaalsContact O-N 3.16Å
510L39.5Very low40.8Very low159 Ų159161.8 Ų161.883%0.83282%0.82SS**  trans-76.591.9166.9-91.9155000109Q508 W512Q508-L510 PolarHBondContact O-N 2.7Å; Q508-L510 VanDerWaalsContact O-N 3.12Å; L510-W512 PolarHBondContact O-N 3.17Å
511M36.4Very low39.8Very low167 Ų167166.8 Ų166.882%0.82383%0.831SS**  trans-81.593160.6-73.8-77.6-82.100108.3L509L509-M511 PolarHBondContact O-N 3.49Å; L509-M511 VanDerWaalsContact O-N 3.16Å
512W36.3Very low39.2Very low243 Ų243168.2 Ų168.292%0.9284%0.838SS**  trans-108.289.1161.7-103.846.2000108.9L510 L514L510-W512 PolarHBondContact O-N 3.17Å; W512-L514 PolarHBondContact O-N 2.98Å
513A37.1Very low38.9Very low88 Ų88170.8 Ų170.873%0.72784%0.843SS**  trans-66.3119.8169.600000110.1
514L46.6Very low39.1Very low165 Ų165172 Ų17286%0.86485%0.848SS**  trans18.2107.6139.1-72.2154.7000116.2W512W512-L514 PolarHBondContact O-N 2.98Å
515K34.8Very low39.1Very low201 Ų201175.2 Ų175.287%0.87486%0.855SS**  trans-16589.8143.5-108.2171.1-168.3-1750111
516K36.3Very low38.8Very low199 Ų199175.1 Ų175.187%0.86586%0.857SS**  155.4147.4120.5-84-175.9-179.3-176.20111.9
517P41.4Very low38.9Very low118 Ų118175.3 Ų175.377%0.76686%0.858SS**  trans-90.9157.9-153.236-32.8000113.3
518F38Very low38.8Very low208 Ų208180.1 Ų180.191%0.91286%0.861SS**  trans-32.4130.7168.3-76.4-98.3000114.6
519Q41.6Very low38.6Very low179 Ų179183.7 Ų183.784%0.83688%0.88SS**  trans-111.1134.9148.3-80.6-162.5-3100109.3
520P41.9Very low38.6Very low120 Ų120184.6 Ų184.678%0.77988%0.881SS**  trans-79.3136.3-176.9510.8000111.5Q522P520-Q522 PolarHBondContact O-N 3.11Å; P520-Q522 VanDerWaalsContact O-N 3.17Å
521F35.4Very low38.5Very low215 Ų215185.9 Ų185.994%0.94388%0.883SS**  trans-57.5112.3166.2-91.7-98000110.6
522Q38Very low38.6Very low185 Ų185186.9 Ų186.986%0.86489%0.887SS**  trans-84.6120.7162.2-74.8-167.3-23.300109.8P520P520-Q522 PolarHBondContact O-N 3.11Å; P520-Q522 VanDerWaalsContact O-N 3.17Å
523R40.8Very low38.8Very low243 Ų243183.6 Ų183.692%0.91789%0.885SS**  trans-68.9133.3165.3-77.5176.8168.6172.2-2.2109.3
524T39.6Very low38.9Very low146 Ų146189.6 Ų189.690%0.89689%0.894SS**  trans-144.1122.1142.536.50000111
525R41.7Very low38.4Very low246 Ų246191.3 Ų191.393%0.92890%0.896SS**  trans-65.4149162.8-68.1173.1167.4-176.5-5.2109.5
526S36.7Very low38.6Very low121 Ų121190.6 Ų190.685%0.84690%0.898SS**  trans-154.1107.5140.152.30000110.7
527F36.6Very low38.8Very low200 Ų200189.9 Ų189.988%0.87790%0.901SS**  trans-84.5141.8150.4-105.4-95.9000107.4
528R37.8Very low38.6Very low227 Ų227195.9 Ų195.986%0.85791%0.912SS**  trans2.4138.9162.6-69-177.5-179.9179.5-1.7119.6
529M34.9Very low38.6Very low261 Ų261194.8 Ų194.8100%1.28691%0.912SS**  -112.90107.2-87.9-167172.200108.9

Retrieved 529 of 529 residues in 89.9 ms (Link to these results)