A0A096N0R8_PAPAN Loading...

Synembryn

Chaperone that specifically binds and folds nascent G alpha proteins prior to G protein heterotrimer formation, promoting their stability and activity: folds GNAI1, GNAO1, GNA13 and GNAQ. Does not fold G(s) G-alpha proteins GNAS nor GNAL. Also acts as a guanine nucleotide exchange factor (GEF) for G alpha proteins by stimulating exchange of bound GDP for free GTP. Involved in regulation of microtubule pulling forces during mitotic movement of chromosomes by stimulating G(i)-alpha protein (GNAI1), possibly leading to release G(i)-alpha-GTP and NuMA proteins from the NuMA-GPSM2-G(i)-alpha-GDP complex. Also acts as an activator for G(q)-alpha (GNAQ) protein by enhancing the G(q)-coupled receptor-mediated ERK activation. Chaperone that specifically binds and folds nascent G alpha proteins prior to G protein heterotrimer formation. Also acts as a guanine nucleotide exchange factor (GEF) for G alpha proteins by stimulating exchange of bound GDP for free GTP.

AlphaFold DB , UniProt , Accession A0A096N0R8, Species PAPAN (Papio anubis, Olive baboon), Gene RIC8A, Length 536 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M85.8Confident90.7Very high63 Ų6349.5 Ų49.531%0.3124%0.237SC..  0141.80-172.8169.5-172.700107.3A5 V6 A21 Y25 E28M1-A5 HydrophobicContact CE-CB 3.69Å; M1-A5 HydrophobicContact CG-CB 4.16Å; M1-V6 HydrophobicContact CB-CG2 4.06Å; M1-V6 HydrophobicContact CG-CG2 3.88Å; M1-V6 HydrophobicContact SD-CG2 4Å; M1-A21 HydrophobicContact CE-CB 4.04Å; M1-A21 VanDerWaalsContact SD-CA 3.56Å; M1-A21 HydrophobicContact SD-CB 3.64Å; M1-Y25 VanDerWaalsContact O-CD2 3.23Å; M1-Y25 WeakPolarHBondContact O-CD2 3.13Å; M1-E28 PolarHBondContact N-OE2 3.39Å
2E89.9Confident90.5Very high98 Ų9851.7 Ų51.746%0.45826%0.256SS..  trans-65.5141.8-179-68.8-64.9173.100112.5R4 A5 V6 Q39E2-R4 PolarHBondContact O-N 2.87Å; E2-R4 VanDerWaalsContact O-N 3.12Å; E2-A5 PolarHBondContact O-N 3.32Å; E2-V6 WeakPolarHBondContact O-CG2 3.45Å; E2-V6 PolarHBondContact O-N 3.21Å; E2-Q39 VanDerWaalsContact OE2-CD 3.24Å; E2-Q39 PolarHBondContact OE2-NE2 2.88Å
3P89Confident89.9Confident1 Ų152.4 Ų52.41%0.00628%0.284CS..Hα-helixtrans-53.1-37.7-177.6-24.630.7000113.8V6 A7 Y25 Q39 D42 R43 L46P3-V6 PolarHBondContact O-N 3.21Å; P3-A7 PolarHBondContact O-N 2.82Å; P3-Y25 HydrophobicContact CB-CE2 4.45Å; P3-Y25 HydrophobicContact CG-CE2 4.08Å; P3-Q39 HydrophobicContact CG-CB 4.42Å; P3-D42 HydrophobicContact CB-CB 4.1Å; P3-R43 HydrophobicContact CB-CG 3.77Å; P3-R43 HydrophobicContact CG-CG 3.63Å; P3-L46 HydrophobicContact CB-CD2 4.49Å
4R91.7Very high89.8Confident141 Ų14158.8 Ų58.853%0.53231%0.308SS..Hα-helixtrans-60.9-46.3177.9-177.1175.1168.81692.1112.7E2 V6 A7 E8 D42E2-R4 PolarHBondContact O-N 2.87Å; E2-R4 VanDerWaalsContact O-N 3.12Å; R4-V6 VanDerWaalsContact C-N 3.26Å; R4-V6 PolarHBondContact O-N 3.24Å; R4-A7 PolarHBondContact O-N 2.98Å; R4-E8 IonicContact NE-OE1 3.23Å; R4-E8 PolarHBondContact NE-OE1 3.05Å; R4-E8 IonicContact NH2-OE1 3.44Å; R4-E8 WeakPolarHBondContact O-CG 3.49Å; R4-E8 PolarHBondContact O-N 3.26Å; R4-D42 HydrophobicContact CB-CB 4.14Å
5A92.4Very high89.7Confident33 Ų3361.9 Ų61.927%0.27332%0.32SS..Hα-helixtrans-67.5-32.1-179.300000111.3M1 E2 A9M1-A5 HydrophobicContact CE-CB 3.69Å; M1-A5 HydrophobicContact CG-CB 4.16Å; E2-A5 PolarHBondContact O-N 3.32Å; A5-A9 WeakPolarHBondContact O-CB 3.5Å; A5-A9 PolarHBondContact O-N 3.29Å
6V92.4Very high89.7Confident0 Ų066.8 Ų66.80%035%0.347CS..Hα-helixtrans-69.4-44173.6-175.80000110.9M1 E2 P3 R4 E8 A9 V10 A21 L22 Y25 L46M1-V6 HydrophobicContact CB-CG2 4.06Å; M1-V6 HydrophobicContact CG-CG2 3.88Å; M1-V6 HydrophobicContact SD-CG2 4Å; E2-V6 WeakPolarHBondContact O-CG2 3.45Å; E2-V6 PolarHBondContact O-N 3.21Å; P3-V6 PolarHBondContact O-N 3.21Å; R4-V6 VanDerWaalsContact C-N 3.26Å; R4-V6 PolarHBondContact O-N 3.24Å; V6-E8 VanDerWaalsContact C-N 3.34Å; V6-E8 PolarHBondContact O-N 2.89Å; V6-A9 WeakPolarHBondContact O-CB 3.43Å; V6-A9 PolarHBondContact O-N 2.95Å; V6-A9 VanDerWaalsContact O-N 3.15Å; V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 3.13Å; V6-A21 HydrophobicContact CG1-CB 4.45Å; V6-L22 HydrophobicContact CG1-CD2 3.68Å; V6-Y25 HydrophobicContact CG2-CD2 3.77Å; V6-Y25 HydrophobicContact CG2-CG 4.09Å; V6-L46 HydrophobicContact CB-CD1 4.29Å; V6-L46 HydrophobicContact CB-CD2 4.14Å; V6-L46 HydrophobicContact CG1-CD1 3.76Å; V6-L46 HydrophobicContact CG1-CD2 4.01Å
7A92.3Very high89.8Confident1 Ų166.9 Ų66.91%0.00835%0.352CS..Hα-helixtrans-59.8-44.8176.200000111.6P3 R4 A9 V10 E11 L46 L49P3-A7 PolarHBondContact O-N 2.82Å; R4-A7 PolarHBondContact O-N 2.98Å; A7-A9 VanDerWaalsContact C-N 3.31Å; A7-A9 PolarHBondContact O-N 3.31Å; A7-V10 PolarHBondContact O-N 3.33Å; A7-E11 WeakPolarHBondContact O-CG 3.1Å; A7-E11 PolarHBondContact O-N 3.17Å; A7-L46 HydrophobicContact CB-CB 4.28Å; A7-L46 HydrophobicContact CB-CD1 4.35Å; A7-L49 HydrophobicContact CB-CD1 3.99Å
8E92.6Very high89.9Confident88 Ų8864.2 Ų64.241%0.41134%0.337SS..Hα-helixtrans-60.7-39.5174.8-71.3173.9-169.700111.6R4 V6 E11 T12R4-E8 IonicContact NE-OE1 3.23Å; R4-E8 PolarHBondContact NE-OE1 3.05Å; R4-E8 IonicContact NH2-OE1 3.44Å; R4-E8 WeakPolarHBondContact O-CG 3.49Å; R4-E8 PolarHBondContact O-N 3.26Å; V6-E8 VanDerWaalsContact C-N 3.34Å; V6-E8 PolarHBondContact O-N 2.89Å; E8-E11 PolarHBondContact O-N 3.3Å; E8-T12 VanDerWaalsContact O-CG2 3.25Å; E8-T12 WeakPolarHBondContact O-CG2 3.32Å; E8-T12 PolarHBondContact O-N 3.28Å
9A91.3Very high90Very high7 Ų760.9 Ų60.96%0.05832%0.32CS..Hα-helixtrans-63.6-43.8174.800000112.3A5 V6 A7 E11 T12 V17 I18 A21A5-A9 WeakPolarHBondContact O-CB 3.5Å; A5-A9 PolarHBondContact O-N 3.29Å; V6-A9 WeakPolarHBondContact O-CB 3.43Å; V6-A9 PolarHBondContact O-N 2.95Å; V6-A9 VanDerWaalsContact O-N 3.15Å; A7-A9 VanDerWaalsContact C-N 3.31Å; A7-A9 PolarHBondContact O-N 3.31Å; A9-E11 VanDerWaalsContact C-N 3.31Å; A9-E11 PolarHBondContact O-N 3.03Å; A9-T12 WeakPolarHBondContact O-CB 3.42Å; A9-T12 PolarHBondContact O-N 3.15Å; A9-T12 VanDerWaalsContact O-N 3.16Å; A9-T12 PolarHBondContact O-OG1 3.24Å; A9-V17 HydrophobicContact CB-CG1 4.14Å; A9-I18 VanDerWaalsContact O-CG1 3.31Å; A9-I18 WeakPolarHBondContact O-CG1 3.5Å; A9-A21 HydrophobicContact CB-CB 3.63Å
10V89.4Confident90.2Very high16 Ų1663.5 Ų63.510%0.09733%0.33CS..Hα-helixtrans-60-40.7177.1176.40000111.4V6 A7 T12 G13 I18 L46 L49 W66V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 3.13Å; A7-V10 PolarHBondContact O-N 3.33Å; V10-T12 VanDerWaalsContact C-N 3.28Å; V10-T12 PolarHBondContact O-N 3.26Å; V10-G13 PolarHBondContact O-N 3.01Å; V10-I18 HydrophobicContact CG2-CG2 4.15Å; V10-L46 HydrophobicContact CG2-CD1 4.25Å; V10-L49 HydrophobicContact CB-CD1 4.32Å; V10-L49 HydrophobicContact CG1-CB 3.95Å; V10-L49 HydrophobicContact CG1-CD1 4.31Å; V10-W66 HydrophobicContact CG1-CH2 4.39Å
11E90.5Very high90.4Very high96 Ų9660.7 Ų60.745%0.44932%0.316SS..Hα-helixtrans-67.5-25.5177.8-71.7174.9171.500113.7A7 E8 A9 G13 R45 L49A7-E11 WeakPolarHBondContact O-CG 3.1Å; A7-E11 PolarHBondContact O-N 3.17Å; E8-E11 PolarHBondContact O-N 3.3Å; A9-E11 VanDerWaalsContact C-N 3.31Å; A9-E11 PolarHBondContact O-N 3.03Å; E11-G13 PolarHBondContact O-N 3.03Å; E11-R45 IonicContact OE1-CZ 2.83Å; E11-R45 VanDerWaalsContact OE1-CZ 3.24Å; E11-R45 IonicContact OE1-NE 3.81Å; E11-R45 PolarHBondContact OE1-NE 3.09Å; E11-R45 VanDerWaalsContact OE1-NE 3.11Å; E11-R45 IonicContact OE1-NH2 3.69Å; E11-R45 PolarHBondContact OE1-NH2 3.47Å; E11-R45 IonicContact OE2-CZ 3.3Å; E11-R45 IonicContact OE2-NH2 3.09Å; E11-R45 PolarHBondContact OE2-NH2 2.91Å; E11-L49 HydrophobicContact CG-CD1 3.86Å; E11-L49 HydrophobicContact CG-CD2 4.14Å
12T88.5Confident90.8Very high76 Ų7657.7 Ų57.747%0.46630%0.301SS..THydrogen-bonded Turntrans-67.2-19.4177.7700000113.3E8 A9 V10 K14E8-T12 VanDerWaalsContact O-CG2 3.25Å; E8-T12 WeakPolarHBondContact O-CG2 3.32Å; E8-T12 PolarHBondContact O-N 3.28Å; A9-T12 WeakPolarHBondContact O-CB 3.42Å; A9-T12 PolarHBondContact O-N 3.15Å; A9-T12 VanDerWaalsContact O-N 3.16Å; A9-T12 PolarHBondContact O-OG1 3.24Å; V10-T12 VanDerWaalsContact C-N 3.28Å; V10-T12 PolarHBondContact O-N 3.26Å; T12-K14 PolarHBondContact O-N 3.25Å; T12-K14 VanDerWaalsContact O-N 3.13Å
13G83.1Confident91Very high61 Ų6157.7 Ų57.763%0.62930%0.297SS*.  trans68.43.7179.400000115.3V10 E11 E15V10-G13 PolarHBondContact O-N 3.01Å; E11-G13 PolarHBondContact O-N 3.03Å; G13-E15 PolarHBondContact O-N 3.13Å
14K88.9Confident91.2Very high142 Ų14259.8 Ų59.862%0.61731%0.312SS*.  trans-86.3109.2-179.6-68.3-178.6-178.1177.60110.6T12 D16 V17 I18T12-K14 PolarHBondContact O-N 3.25Å; T12-K14 VanDerWaalsContact O-N 3.13Å; K14-D16 PolarHBondContact O-N 3.03Å; K14-V17 HydrophobicContact CB-CB 4.13Å; K14-V17 HydrophobicContact CB-CG2 3.91Å; K14-V17 HydrophobicContact CD-CG2 4.27Å; K14-V17 PolarHBondContact O-N 3.29Å; K14-I18 VanDerWaalsContact O-CG1 3.32Å; K14-I18 WeakPolarHBondContact O-CG1 3.27Å; K14-I18 PolarHBondContact O-N 2.96Å
15E87.8Confident91.3Very high105 Ų10553.1 Ų53.149%0.49129%0.286SS..Hα-helixtrans-48.3-51.8-173.9-170.6173.2-172.200113.5G13 V17 I18 M19 H62G13-E15 PolarHBondContact O-N 3.13Å; E15-V17 VanDerWaalsContact C-N 3.3Å; E15-V17 PolarHBondContact O-N 2.64Å; E15-I18 PolarHBondContact O-N 2.96Å; E15-M19 HydrophobicContact CG-CG 4.33Å; E15-M19 WeakPolarHBondContact O-CB 3.41Å; E15-M19 VanDerWaalsContact O-CG 3.26Å; E15-M19 WeakPolarHBondContact O-CG 3.4Å; E15-M19 PolarHBondContact O-N 3.46Å; E15-H62 IonicContact OE1-CD2 3.52Å; E15-H62 IonicContact OE1-NE2 3.94Å
16D89.3Confident91.5Very high140 Ų14051.9 Ų51.975%0.74928%0.275SS*.Hα-helixtrans-59.3-39.4-179.1-65.1-40.8000113.3K14 E20K14-D16 PolarHBondContact O-N 3.03Å; D16-E20 WeakPolarHBondContact O-CB 3.45Å; D16-E20 PolarHBondContact O-N 3.17Å; D16-E20 VanDerWaalsContact O-N 3.09Å
17V91.8Very high91.5Very high70 Ų7059 Ų5942%0.42431%0.309SS..Hα-helixtrans-71.7-42.2-178.9-178.20000110.3A9 K14 E15 A21A9-V17 HydrophobicContact CB-CG1 4.14Å; K14-V17 HydrophobicContact CB-CB 4.13Å; K14-V17 HydrophobicContact CB-CG2 3.91Å; K14-V17 HydrophobicContact CD-CG2 4.27Å; K14-V17 PolarHBondContact O-N 3.29Å; E15-V17 VanDerWaalsContact C-N 3.3Å; E15-V17 PolarHBondContact O-N 2.64Å; V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.23Å
18I91.8Very high91.6Very high17 Ų1764.7 Ų64.79%0.08734%0.335CS..Hα-helixtrans-61.3-48.6176.8-63.4173.4000109.8A9 V10 K14 E15 E20 A21 L22 W66A9-I18 VanDerWaalsContact O-CG1 3.31Å; A9-I18 WeakPolarHBondContact O-CG1 3.5Å; V10-I18 HydrophobicContact CG2-CG2 4.15Å; K14-I18 VanDerWaalsContact O-CG1 3.32Å; K14-I18 WeakPolarHBondContact O-CG1 3.27Å; K14-I18 PolarHBondContact O-N 2.96Å; E15-I18 PolarHBondContact O-N 2.96Å; I18-E20 PolarHBondContact O-N 3.42Å; I18-A21 PolarHBondContact O-N 3.09Å; I18-L22 HydrophobicContact CG2-CD1 3.74Å; I18-L22 HydrophobicContact CG2-CG 4.19Å; I18-L22 WeakPolarHBondContact O-CB 3.41Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 2.83Å; I18-W66 HydrophobicContact CG2-CH2 4.1Å; I18-W66 HydrophobicContact CG2-CZ2 3.64Å
19M92.3Very high91.5Very high3 Ų361.7 Ų61.72%0.01532%0.321CS..Hα-helixtrans-65.1-39.9-176.3-71.1-50.6-5100112.5E15 R23 H62 T65E15-M19 HydrophobicContact CG-CG 4.33Å; E15-M19 WeakPolarHBondContact O-CB 3.41Å; E15-M19 VanDerWaalsContact O-CG 3.26Å; E15-M19 WeakPolarHBondContact O-CG 3.4Å; E15-M19 PolarHBondContact O-N 3.46Å; M19-R23 WeakPolarHBondContact O-CB 3.44Å; M19-R23 VanDerWaalsContact O-CG 3.27Å; M19-R23 WeakPolarHBondContact O-CG 3.45Å; M19-R23 PolarHBondContact O-N 3.13Å; M19-H62 HydrophobicContact CE-CB 3.43Å; M19-H62 VanDerWaalsContact CE-CB 3.43Å; M19-H62 HydrophobicContact SD-CB 3.5Å; M19-H62 WeakPolarHBondContact SD-CB 3.44Å; M19-H62 VanDerWaalsContact SD-CG 3.55Å; M19-T65 HydrophobicContact CE-CG2 3.74Å
20E93.4Very high91.4Very high112 Ų11263.3 Ų63.352%0.52333%0.332SS..Hα-helixtrans-67-41.6175.7-169.358.8-163.700111.9D16 I18 R23 S24D16-E20 WeakPolarHBondContact O-CB 3.45Å; D16-E20 PolarHBondContact O-N 3.17Å; D16-E20 VanDerWaalsContact O-N 3.09Å; I18-E20 PolarHBondContact O-N 3.42Å; E20-R23 PolarHBondContact O-N 3.09Å; E20-R23 IonicContact OE2-NH1 2.89Å; E20-R23 PolarHBondContact OE2-NH1 3.43Å; E20-S24 WeakPolarHBondContact O-CB 3.34Å; E20-S24 PolarHBondContact O-N 3.26Å
21A94.1Very high91.4Very high4 Ų469.6 Ų69.63%0.03336%0.36CS..Hα-helixtrans-62.3-46.7176.500000112.1M1 V6 A9 V17 I18 S24 Y25M1-A21 HydrophobicContact CE-CB 4.04Å; M1-A21 VanDerWaalsContact SD-CA 3.56Å; M1-A21 HydrophobicContact SD-CB 3.64Å; V6-A21 HydrophobicContact CG1-CB 4.45Å; A9-A21 HydrophobicContact CB-CB 3.63Å; V17-A21 WeakPolarHBondContact O-CB 3.31Å; V17-A21 PolarHBondContact O-N 3.23Å; I18-A21 PolarHBondContact O-N 3.09Å; A21-S24 PolarHBondContact O-N 3.36Å; A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 2.73Å
22L93.6Very high91.3Very high0 Ų066.2 Ų66.20%035%0.347CS..Hα-helixtrans-65.5-40.2177.8-67.2175.5000112.1V6 I18 Y25 N26 L50 T65 W66 S69V6-L22 HydrophobicContact CG1-CD2 3.68Å; I18-L22 HydrophobicContact CG2-CD1 3.74Å; I18-L22 HydrophobicContact CG2-CG 4.19Å; I18-L22 WeakPolarHBondContact O-CB 3.41Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 2.83Å; L22-Y25 PolarHBondContact O-N 3.49Å; L22-N26 WeakPolarHBondContact O-CB 3.24Å; L22-N26 PolarHBondContact O-N 3.45Å; L22-N26 PolarHBondContact O-ND2 2.95Å; L22-N26 PolarHBondContact O-OD1 3.4Å; L22-L50 HydrophobicContact CD2-CD2 4.16Å; L22-T65 HydrophobicContact CB-CG2 3.88Å; L22-W66 HydrophobicContact CD1-CD2 3.84Å; L22-W66 HydrophobicContact CD1-CE3 4.21Å; L22-W66 HydrophobicContact CD1-CG 4.28Å; L22-W66 HydrophobicContact CD1-CH2 4.33Å; L22-W66 HydrophobicContact CD1-CZ2 3.99Å; L22-W66 HydrophobicContact CD1-CZ3 4.45Å; L22-S69 WeakPolarHBondContact CD2-OG 3.49Å
23R94.4Very high91.2Very high99 Ų9969.1 Ų69.137%0.37435%0.354SS..Hα-helixtrans-62.1-46.7174.9-76.6-177.5-140.6131.8-0.9111.6M19 E20 Y25 N26 Q27 T65M19-R23 WeakPolarHBondContact O-CB 3.44Å; M19-R23 VanDerWaalsContact O-CG 3.27Å; M19-R23 WeakPolarHBondContact O-CG 3.45Å; M19-R23 PolarHBondContact O-N 3.13Å; E20-R23 PolarHBondContact O-N 3.09Å; E20-R23 IonicContact OE2-NH1 2.89Å; E20-R23 PolarHBondContact OE2-NH1 3.43Å; R23-Y25 VanDerWaalsContact C-N 3.33Å; R23-Y25 PolarHBondContact O-N 3.15Å; R23-N26 PolarHBondContact O-N 3.33Å; R23-Q27 WeakPolarHBondContact O-CG 3.31Å; R23-Q27 PolarHBondContact O-N 3.02Å; R23-T65 HydrophobicContact CG-CG2 3.91Å
24S94.6Very high91.3Very high44 Ų4472.2 Ų72.231%0.30836%0.36SS..Hα-helixtrans-62.3-42.2177.9-176.70000111.5E20 A21 E28E20-S24 WeakPolarHBondContact O-CB 3.34Å; E20-S24 PolarHBondContact O-N 3.26Å; A21-S24 PolarHBondContact O-N 3.36Å; S24-E28 PolarHBondContact O-N 3.26Å
25Y94Very high91.3Very high1 Ų167.2 Ų67.20%0.00434%0.339CS..Hα-helixtrans-59.1-49.4173.2-174.1-95.5000112.1M1 P3 V6 A21 L22 R23 Q27 E28 H29 I72 L73M1-Y25 VanDerWaalsContact O-CD2 3.23Å; M1-Y25 WeakPolarHBondContact O-CD2 3.13Å; P3-Y25 HydrophobicContact CB-CE2 4.45Å; P3-Y25 HydrophobicContact CG-CE2 4.08Å; V6-Y25 HydrophobicContact CG2-CD2 3.77Å; V6-Y25 HydrophobicContact CG2-CG 4.09Å; A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 2.73Å; L22-Y25 PolarHBondContact O-N 3.49Å; R23-Y25 VanDerWaalsContact C-N 3.33Å; R23-Y25 PolarHBondContact O-N 3.15Å; Y25-Q27 VanDerWaalsContact C-N 3.34Å; Y25-Q27 PolarHBondContact O-N 3.35Å; Y25-E28 PolarHBondContact O-N 3.1Å; Y25-H29 AromaticContact CD2-CD2 3.5Å; Y25-H29 HydrophobicContact CE1-CB 4.4Å; Y25-H29 AromaticContact CE2-CD2 3.29Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.45Å; Y25-H29 AromaticContact CE2-NE2 3.73Å; Y25-H29 AromaticContact CZ-CD2 3.68Å; Y25-H29 PolarHBondContact O-CD2 2.86Å; Y25-H29 PolarHBondContact O-N 3.5Å; Y25-I72 HydrophobicContact CE1-CB 4.37Å; Y25-I72 HydrophobicContact CE1-CG2 3.87Å; Y25-L73 WeakPolarHBondContact OH-CD2 3.41Å
26N94.9Very high91.2Very high8 Ų868.2 Ų68.24%0.04334%0.344CS..Hα-helixtrans-64.9-38.2-176.9-68.7-9.6000112.3L22 R23 S30 T65 Q68 S69 I72L22-N26 WeakPolarHBondContact O-CB 3.24Å; L22-N26 PolarHBondContact O-N 3.45Å; L22-N26 PolarHBondContact O-ND2 2.95Å; L22-N26 PolarHBondContact O-OD1 3.4Å; R23-N26 PolarHBondContact O-N 3.33Å; N26-S30 WeakPolarHBondContact O-CA 3.2Å; N26-S30 WeakPolarHBondContact O-CB 3.21Å; N26-S30 PolarHBondContact O-N 2.88Å; N26-T65 PolarHBondContact ND2-O 3.35Å; N26-Q68 VanDerWaalsContact ND2-CB 3.31Å; N26-Q68 WeakPolarHBondContact ND2-CB 3.47Å; N26-Q68 PolarHBondContact ND2-OE1 3.08Å; N26-S69 PolarHBondContact ND2-OG 2.86Å; N26-S69 VanDerWaalsContact OD1-CA 3.32Å; N26-S69 WeakPolarHBondContact OD1-CA 3.28Å; N26-S69 WeakPolarHBondContact OD1-CB 3.38Å; N26-S69 PolarHBondContact OD1-N 3.31Å; N26-S69 PolarHBondContact OD1-OG 3.15Å; N26-I72 HydrophobicContact CB-CD1 4.22Å
27Q93.5Very high91Very high150 Ų15067.5 Ų67.570%0.70134%0.34SS*.Hα-helixtrans-62.9-46.5176.8-75.51761.900111.4R23 Y25 S30R23-Q27 WeakPolarHBondContact O-CG 3.31Å; R23-Q27 PolarHBondContact O-N 3.02Å; Y25-Q27 VanDerWaalsContact C-N 3.34Å; Y25-Q27 PolarHBondContact O-N 3.35Å; Q27-S30 PolarHBondContact O-OG 3.41Å
28E93.1Very high90.9Very high119 Ų11968.6 Ų68.656%0.55636%0.356SS*.Hα-helixtrans-70.7-39.8-177.5-168.3168.2165.100112.7M1 S24 Y25M1-E28 PolarHBondContact N-OE2 3.39Å; S24-E28 PolarHBondContact O-N 3.26Å; Y25-E28 PolarHBondContact O-N 3.1Å
29H91.6Very high90.8Very high26 Ų2669.2 Ų69.212%0.1236%0.359CS..Hα-helixtrans-103.38.7-173.3-60.6-68.1000114.9Y25 Q31 S32 I72Y25-H29 AromaticContact CD2-CD2 3.5Å; Y25-H29 HydrophobicContact CE1-CB 4.4Å; Y25-H29 AromaticContact CE2-CD2 3.29Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.45Å; Y25-H29 AromaticContact CE2-NE2 3.73Å; Y25-H29 AromaticContact CZ-CD2 3.68Å; Y25-H29 PolarHBondContact O-CD2 2.86Å; Y25-H29 PolarHBondContact O-N 3.5Å; H29-Q31 PolarHBondContact O-N 3.12Å; H29-Q31 VanDerWaalsContact O-N 3.13Å; H29-S32 WeakPolarHBondContact CA-OG 3.28Å; H29-S32 PolarHBondContact ND1-OG 2.9Å; H29-S32 WeakPolarHBondContact O-CB 3.28Å; H29-S32 PolarHBondContact O-N 3.25Å; H29-I72 HydrophobicContact CB-CD1 4.33Å; H29-I72 HydrophobicContact CB-CG2 3.84Å
30S89.3Confident90.7Very high41 Ų4171.2 Ų71.229%0.28737%0.368SS..THydrogen-bonded Turntrans-53.7-36-178.256.30000113.9N26 Q27 R75N26-S30 WeakPolarHBondContact O-CA 3.2Å; N26-S30 WeakPolarHBondContact O-CB 3.21Å; N26-S30 PolarHBondContact O-N 2.88Å; Q27-S30 PolarHBondContact O-OG 3.41Å; S30-R75 PolarHBondContact O-NH1 3.17Å; S30-R75 PolarHBondContact O-NH2 2.84Å
31Q89.2Confident90.6Very high147 Ų14771.4 Ų71.469%0.68737%0.369SS*.THydrogen-bonded Turntrans-107.110.8179.6-60.1-61.5-18.900113.6H29 F33H29-Q31 PolarHBondContact O-N 3.12Å; H29-Q31 VanDerWaalsContact O-N 3.13Å; Q31-F33 WeakPolarHBondContact O-CD2 3.44Å; Q31-F33 PolarHBondContact O-N 3.49Å
32S87.8Confident90.5Very high26 Ų2673.5 Ų73.518%0.18238%0.379CS..  trans-75.9122.4177-59.90000110.8H29 R75H29-S32 WeakPolarHBondContact CA-OG 3.28Å; H29-S32 PolarHBondContact ND1-OG 2.9Å; H29-S32 WeakPolarHBondContact O-CB 3.28Å; H29-S32 PolarHBondContact O-N 3.25Å; S32-R75 VanDerWaalsContact O-CD 3.25Å; S32-R75 WeakPolarHBondContact O-CD 3.49Å; S32-R75 PolarHBondContact O-NH1 3.46Å
33F87Confident90.5Very high136 Ų13673.6 Ų73.660%0.59638%0.38SS*.  trans-118.3-9.7171.4-65-85.2000112.6Q31Q31-F33 WeakPolarHBondContact O-CD2 3.44Å; Q31-F33 PolarHBondContact O-N 3.49Å
34T85.8Confident90.4Very high126 Ų12671.5 Ų71.577%0.77337%0.373SS*.  trans-120.2133.8174.452.60000108.1
35F87.4Confident90.4Very high38 Ų3873.8 Ų73.817%0.16738%0.375CS..  trans-124.5144.1-176.7-60.7-88.2000110R43 I72 R75 D76F35-R43 VanDerWaalsContact CB-CZ 3.48Å; F35-I72 HydrophobicContact CE1-CG2 4.16Å; F35-I72 HydrophobicContact CZ-CG2 4.24Å; F35-I72 WeakPolarHBondContact CZ-O 3.25Å; F35-R75 HydrophobicContact CE2-CB 3.8Å; F35-R75 HydrophobicContact CZ-CB 4.08Å; F35-D76 HydrophobicContact CD2-CB 3.67Å; F35-D76 HydrophobicContact CE2-CB 3.88Å; F35-D76 HydrophobicContact CG-CB 4.16Å
36E86.4Confident90.3Very high126 Ų12673.7 Ų73.759%0.58938%0.375SS*.  trans-74.1134.8-179.4-61.2-173173.300111.2A38 Q39 R43E36-A38 PolarHBondContact O-N 3.05Å; E36-Q39 PolarHBondContact O-N 3.41Å; E36-R43 PolarHBondContact O-NH1 2.93Å; E36-R43 PolarHBondContact O-NH2 3.32Å
37D86.1Confident90.3Very high125 Ų12573.3 Ų73.367%0.66837%0.373SS*.G310 helixtrans-64.3-29.9178.3-66.2-25000112.1Q39 Q40D37-Q39 PolarHBondContact O-N 2.72Å; D37-Q40 WeakPolarHBondContact O-CB 3.45Å; D37-Q40 PolarHBondContact O-N 3.41Å; D37-Q40 VanDerWaalsContact O-N 3.13Å
38A88.4Confident90.3Very high92 Ų9271.9 Ų71.976%0.7637%0.366SS*.G310 helixtrans-60.2-30.5179.700000113.1E36E36-A38 PolarHBondContact O-N 3.05Å
39Q89.5Confident90.4Very high31 Ų3168 Ų6815%0.14535%0.349CS..G310 helixtrans-100.29.9-177.7-57.7175.4-1.900112.6E2 P3 E36 D37 E41 D42 R43E2-Q39 VanDerWaalsContact OE2-CD 3.24Å; E2-Q39 PolarHBondContact OE2-NE2 2.88Å; P3-Q39 HydrophobicContact CG-CB 4.42Å; E36-Q39 PolarHBondContact O-N 3.41Å; D37-Q39 PolarHBondContact O-N 2.72Å; Q39-E41 PolarHBondContact O-N 2.77Å; Q39-D42 PolarHBondContact O-N 3.05Å; Q39-R43 VanDerWaalsContact CB-NH1 3.35Å; Q39-R43 WeakPolarHBondContact O-CG 3.27Å; Q39-R43 PolarHBondContact O-N 3.37Å
40Q89.8Confident90.5Very high44 Ų4466.8 Ų66.821%0.20634%0.343CS..Hα-helixtrans-59-47.5-174.6-176.9-172-69.900112.4D37 D42 R43 K44 N78D37-Q40 WeakPolarHBondContact O-CB 3.45Å; D37-Q40 PolarHBondContact O-N 3.41Å; D37-Q40 VanDerWaalsContact O-N 3.13Å; Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 3.42Å; Q40-R43 PolarHBondContact O-N 3.42Å; Q40-K44 VanDerWaalsContact NE2-NZ 3.14Å; Q40-K44 WeakPolarHBondContact O-CG 3.44Å; Q40-K44 PolarHBondContact O-N 3.42Å; Q40-N78 HydrophobicContact CG-CB 3.91Å; Q40-N78 PolarHBondContact OE1-ND2 3.27Å; Q40-N78 VanDerWaalsContact OE1-ND2 3.16Å
41E91.4Very high90.7Very high116 Ų11665.3 Ų65.354%0.54233%0.333SS..Hα-helixtrans-69.1-34.1-178-63.8-55.1128.300111.9Q39 K44 R45Q39-E41 PolarHBondContact O-N 2.77Å; E41-K44 PolarHBondContact O-N 2.91Å; E41-K44 IonicContact OE1-NZ 3.33Å; E41-K44 PolarHBondContact OE1-NZ 3.24Å; E41-R45 WeakPolarHBondContact O-CB 3.31Å; E41-R45 PolarHBondContact O-N 3.4Å
42D92.7Very high90.9Very high49 Ų4960.5 Ų60.526%0.26232%0.315SS..Hα-helixtrans-65.3-39.9173.5-66.3-38.8000111.5P3 R4 Q39 Q40 L46P3-D42 HydrophobicContact CB-CB 4.1Å; R4-D42 HydrophobicContact CB-CB 4.14Å; Q39-D42 PolarHBondContact O-N 3.05Å; Q40-D42 VanDerWaalsContact C-N 3.34Å; Q40-D42 PolarHBondContact O-N 3.42Å; D42-L46 WeakPolarHBondContact O-CB 3.49Å; D42-L46 PolarHBondContact O-N 2.87Å
43R93.3Very high91.1Very high2 Ų261 Ų611%0.00832%0.317CS..Hα-helixtrans-68.4-38.6175.2-71.6-167.3-56.9-84.2-0.9112.7P3 F35 E36 Q39 Q40 L46 A47 L73 D76 C79P3-R43 HydrophobicContact CB-CG 3.77Å; P3-R43 HydrophobicContact CG-CG 3.63Å; F35-R43 VanDerWaalsContact CB-CZ 3.48Å; E36-R43 PolarHBondContact O-NH1 2.93Å; E36-R43 PolarHBondContact O-NH2 3.32Å; Q39-R43 VanDerWaalsContact CB-NH1 3.35Å; Q39-R43 WeakPolarHBondContact O-CG 3.27Å; Q39-R43 PolarHBondContact O-N 3.37Å; Q40-R43 PolarHBondContact O-N 3.42Å; R43-L46 PolarHBondContact O-N 3.49Å; R43-A47 WeakPolarHBondContact O-CB 3.49Å; R43-A47 PolarHBondContact O-N 3.36Å; R43-L73 HydrophobicContact CB-CD2 4.21Å; R43-L73 HydrophobicContact CG-CD2 4.22Å; R43-D76 IonicContact CZ-OD2 3.36Å; R43-D76 VanDerWaalsContact CZ-OD2 3.24Å; R43-D76 IonicContact NE-OD2 2.99Å; R43-D76 PolarHBondContact NE-OD2 2.91Å; R43-D76 IonicContact NH2-OD2 3.78Å; R43-D76 PolarHBondContact NH2-OD2 3.49Å; R43-C79 VanDerWaalsContact CB-SG 3.52Å
44K92.6Very high91.3Very high55 Ų5554.6 Ų54.624%0.23929%0.289CS..Hα-helixtrans-61.8-47174.1-76-179.7-175.5167.30111.5Q40 E41 L46 A47 E48 N78Q40-K44 VanDerWaalsContact NE2-NZ 3.14Å; Q40-K44 WeakPolarHBondContact O-CG 3.44Å; Q40-K44 PolarHBondContact O-N 3.42Å; E41-K44 PolarHBondContact O-N 2.91Å; E41-K44 IonicContact OE1-NZ 3.33Å; E41-K44 PolarHBondContact OE1-NZ 3.24Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.14Å; K44-A47 WeakPolarHBondContact O-CB 3.33Å; K44-A47 PolarHBondContact O-N 3.18Å; K44-A47 VanDerWaalsContact O-N 3.12Å; K44-E48 WeakPolarHBondContact O-CG 3.35Å; K44-E48 PolarHBondContact O-N 3.16Å; K44-N78 WeakPolarHBondContact CE-O 3.36Å
45R93.7Very high91.6Very high91 Ų9151.8 Ų51.834%0.34327%0.267SS..Hα-helixtrans-58.6-45.5175.2-177.6-179176.5-166.64.1111.4E11 E41 A47 E48 L49E11-R45 IonicContact OE1-CZ 2.83Å; E11-R45 VanDerWaalsContact OE1-CZ 3.24Å; E11-R45 IonicContact OE1-NE 3.81Å; E11-R45 PolarHBondContact OE1-NE 3.09Å; E11-R45 VanDerWaalsContact OE1-NE 3.11Å; E11-R45 IonicContact OE1-NH2 3.69Å; E11-R45 PolarHBondContact OE1-NH2 3.47Å; E11-R45 IonicContact OE2-CZ 3.3Å; E11-R45 IonicContact OE2-NH2 3.09Å; E11-R45 PolarHBondContact OE2-NH2 2.91Å; E41-R45 WeakPolarHBondContact O-CB 3.31Å; E41-R45 PolarHBondContact O-N 3.4Å; R45-A47 VanDerWaalsContact C-N 3.34Å; R45-A47 PolarHBondContact O-N 3.22Å; R45-E48 PolarHBondContact O-N 3.42Å; R45-L49 WeakPolarHBondContact O-CG 3.32Å; R45-L49 PolarHBondContact O-N 3.27Å; R45-L49 VanDerWaalsContact O-N 3.14Å
46L93.9Very high91.7Very high0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-59.8-45.2174.8179.859.3000111.2P3 V6 A7 V10 D42 R43 K44 E48 L49 L50 L73P3-L46 HydrophobicContact CB-CD2 4.49Å; V6-L46 HydrophobicContact CB-CD1 4.29Å; V6-L46 HydrophobicContact CB-CD2 4.14Å; V6-L46 HydrophobicContact CG1-CD1 3.76Å; V6-L46 HydrophobicContact CG1-CD2 4.01Å; A7-L46 HydrophobicContact CB-CB 4.28Å; A7-L46 HydrophobicContact CB-CD1 4.35Å; V10-L46 HydrophobicContact CG2-CD1 4.25Å; D42-L46 WeakPolarHBondContact O-CB 3.49Å; D42-L46 PolarHBondContact O-N 2.87Å; R43-L46 PolarHBondContact O-N 3.49Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.14Å; L46-E48 PolarHBondContact O-N 3.26Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-L50 HydrophobicContact CD1-CD2 4.17Å; L46-L50 HydrophobicContact CD1-CG 4.16Å; L46-L50 HydrophobicContact CG-CD1 4.41Å; L46-L50 HydrophobicContact CG-CG 4.34Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.42Å; L46-L73 HydrophobicContact CD2-CD1 4.12Å; L46-L73 HydrophobicContact CG-CD1 4Å
47A94.3Very high91.8Very high0 Ų053.9 Ų53.90%029%0.289CS..Hα-helixtrans-58.6-46.1178.400000112.4R43 K44 R45 L49 L50 V51 L73 C79 P82 F83R43-A47 WeakPolarHBondContact O-CB 3.49Å; R43-A47 PolarHBondContact O-N 3.36Å; K44-A47 WeakPolarHBondContact O-CB 3.33Å; K44-A47 PolarHBondContact O-N 3.18Å; K44-A47 VanDerWaalsContact O-N 3.12Å; R45-A47 VanDerWaalsContact C-N 3.34Å; R45-A47 PolarHBondContact O-N 3.22Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 2.94Å; A47-L50 PolarHBondContact O-N 3.05Å; A47-V51 VanDerWaalsContact O-CG2 3.27Å; A47-V51 WeakPolarHBondContact O-CG2 3.34Å; A47-V51 PolarHBondContact O-N 2.96Å; A47-L73 HydrophobicContact CB-CD1 4.15Å; A47-C79 HydrophobicContact CB-CB 4.49Å; A47-P82 HydrophobicContact CB-CB 4.38Å; A47-P82 HydrophobicContact CB-CG 4.24Å; A47-F83 HydrophobicContact CB-CD2 4.44Å; A47-F83 HydrophobicContact CB-CE2 3.49Å; A47-F83 VanDerWaalsContact CB-CE2 3.49Å; A47-F83 HydrophobicContact CB-CZ 3.62Å
48E94.1Very high92Very high119 Ų11948.2 Ų48.256%0.55626%0.258SS*.Hα-helixtrans-58.6-43.5176.2-71172.9178.200112.1K44 R45 L46 V51 S52 P82K44-E48 WeakPolarHBondContact O-CG 3.35Å; K44-E48 PolarHBondContact O-N 3.16Å; R45-E48 PolarHBondContact O-N 3.42Å; L46-E48 PolarHBondContact O-N 3.26Å; E48-V51 PolarHBondContact O-N 3.29Å; E48-S52 PolarHBondContact O-N 3.4Å; E48-S52 VanDerWaalsContact O-N 3.08Å; E48-P82 HydrophobicContact CG-CB 4.25Å; E48-P82 HydrophobicContact CG-CG 4.04Å
49L94Very high91.9Very high37 Ų3745.9 Ų45.919%0.19424%0.235CC..Hα-helixtrans-62.7-46.8175.5-68.1170.7000111.3A7 V10 E11 R45 L46 A47 V51 S52 V53A7-L49 HydrophobicContact CB-CD1 3.99Å; V10-L49 HydrophobicContact CB-CD1 4.32Å; V10-L49 HydrophobicContact CG1-CB 3.95Å; V10-L49 HydrophobicContact CG1-CD1 4.31Å; E11-L49 HydrophobicContact CG-CD1 3.86Å; E11-L49 HydrophobicContact CG-CD2 4.14Å; R45-L49 WeakPolarHBondContact O-CG 3.32Å; R45-L49 PolarHBondContact O-N 3.27Å; R45-L49 VanDerWaalsContact O-N 3.14Å; L46-L49 PolarHBondContact O-N 3.44Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 2.94Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 2.86Å; L49-S52 PolarHBondContact O-N 2.89Å; L49-S52 PolarHBondContact O-OG 3.41Å; L49-V53 PolarHBondContact O-N 3.04Å
50L93.8Very high91.6Very high1 Ų149.3 Ų49.31%0.00526%0.26CS..Hα-helixtrans-63.2-39.7179-62.5-170.8000112.2L22 L46 A47 V53 L54 W66 V70 L73 F83L22-L50 HydrophobicContact CD2-CD2 4.16Å; L46-L50 HydrophobicContact CD1-CD2 4.17Å; L46-L50 HydrophobicContact CD1-CG 4.16Å; L46-L50 HydrophobicContact CG-CD1 4.41Å; L46-L50 HydrophobicContact CG-CG 4.34Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.42Å; A47-L50 PolarHBondContact O-N 3.05Å; L50-V53 PolarHBondContact O-N 3.42Å; L50-L54 VanDerWaalsContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CB 3.47Å; L50-L54 PolarHBondContact O-N 3.24Å; L50-W66 HydrophobicContact CD2-CE3 3.65Å; L50-W66 HydrophobicContact CD2-CH2 4.25Å; L50-W66 HydrophobicContact CD2-CZ3 3.29Å; L50-V70 HydrophobicContact CB-CG2 4.29Å; L50-V70 HydrophobicContact CD1-CG2 4.18Å; L50-L73 HydrophobicContact CD1-CD1 3.68Å; L50-F83 HydrophobicContact CB-CE1 4.39Å
51V93.9Very high91.3Very high11 Ų1151 Ų517%0.06728%0.277CS..Hα-helixtrans-61.4-44.5176.6168.90000111A47 E48 L49 V53 L54 E55 P82 F83A47-V51 VanDerWaalsContact O-CG2 3.27Å; A47-V51 WeakPolarHBondContact O-CG2 3.34Å; A47-V51 PolarHBondContact O-N 2.96Å; E48-V51 PolarHBondContact O-N 3.29Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 2.86Å; V51-V53 PolarHBondContact O-N 3.49Å; V51-L54 WeakPolarHBondContact O-CB 3.25Å; V51-L54 PolarHBondContact O-N 3Å; V51-L54 VanDerWaalsContact O-N 3.1Å; V51-E55 HydrophobicContact CG1-CG 4.11Å; V51-E55 WeakPolarHBondContact O-CG 3.17Å; V51-E55 PolarHBondContact O-N 2.88Å; V51-P82 HydrophobicContact CG2-CB 3.93Å; V51-P82 WeakPolarHBondContact CG2-O 3.44Å; V51-F83 HydrophobicContact CG2-CB 4.47Å; V51-F83 HydrophobicContact CG2-CD1 3.21Å; V51-F83 HydrophobicContact CG2-CE1 3.41Å; V51-F83 VanDerWaalsContact CG2-CE1 3.41Å; V51-F83 HydrophobicContact CG2-CG 3.91Å; V51-F83 HydrophobicContact CG2-CZ 4.27Å
52S92.4Very high91.2Very high46 Ų4647.7 Ų47.732%0.32226%0.261SS..Hα-helixtrans-58.9-37.7-179.475.30000112.6E48 L49 Q56E48-S52 PolarHBondContact O-N 3.4Å; E48-S52 VanDerWaalsContact O-N 3.08Å; L49-S52 PolarHBondContact O-N 2.89Å; L49-S52 PolarHBondContact O-OG 3.41Å; S52-Q56 VanDerWaalsContact O-CG 3.24Å; S52-Q56 WeakPolarHBondContact O-CG 3.45Å; S52-Q56 PolarHBondContact O-N 3.36Å; S52-Q56 PolarHBondContact O-NE2 2.94Å
53V92.1Very high91.1Very high36 Ų3649.2 Ų49.222%0.21826%0.263CS..Hα-helixtrans-76.6-37.7176.8-175.10000111L49 L50 V51 E55 Q56 G57 L58 W66L49-V53 PolarHBondContact O-N 3.04Å; L50-V53 PolarHBondContact O-N 3.42Å; V51-V53 PolarHBondContact O-N 3.49Å; V53-E55 PolarHBondContact O-N 2.74Å; V53-Q56 PolarHBondContact O-N 3.21Å; V53-G57 CarbonylContact O-C 3.48Å; V53-G57 PolarHBondContact O-N 3.44Å; V53-L58 HydrophobicContact CG1-CD2 4.03Å; V53-W66 HydrophobicContact CB-CE3 4.49Å; V53-W66 HydrophobicContact CB-CH2 4.13Å; V53-W66 HydrophobicContact CB-CZ3 3.85Å; V53-W66 HydrophobicContact CG1-CE3 4.37Å; V53-W66 HydrophobicContact CG1-CH2 3.94Å; V53-W66 HydrophobicContact CG1-CZ2 4.3Å; V53-W66 HydrophobicContact CG1-CZ3 3.95Å; V53-W66 HydrophobicContact CG2-CH2 3.93Å; V53-W66 HydrophobicContact CG2-CZ3 4Å
54L92.8Very high91.2Very high1 Ų150.7 Ų50.71%0.00527%0.273CS..Hα-helixtrans-59.8-45.4176.8179.470.3000112L50 V51 G57 L58 L67 A91 L92 Y95L50-L54 VanDerWaalsContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CB 3.47Å; L50-L54 PolarHBondContact O-N 3.24Å; V51-L54 WeakPolarHBondContact O-CB 3.25Å; V51-L54 PolarHBondContact O-N 3Å; V51-L54 VanDerWaalsContact O-N 3.1Å; L54-G57 PolarHBondContact O-N 2.99Å; L54-L58 HydrophobicContact CD1-CD1 3.87Å; L54-L58 HydrophobicContact CD1-CD2 4.48Å; L54-L58 HydrophobicContact CD1-CG 4.15Å; L54-L67 HydrophobicContact CD1-CD2 4.4Å; L54-A91 HydrophobicContact CD1-CB 4.4Å; L54-A91 HydrophobicContact CG-CB 4.16Å; L54-L92 HydrophobicContact CD1-CD2 4.11Å; L54-L92 HydrophobicContact CD2-CD1 4.49Å; L54-L92 HydrophobicContact CD2-CD2 4.21Å; L54-L92 HydrophobicContact CD2-CG 4.09Å; L54-Y95 HydrophobicContact CD1-CD2 4.17Å; L54-Y95 HydrophobicContact CD1-CE2 3.69Å
55E91.2Very high91.2Very high68 Ų6849.1 Ų49.132%0.31827%0.267SS..Hα-helixtrans-69.5-30.5-180-69.5179.616200112.7V51 V53 S85 Q87V51-E55 HydrophobicContact CG1-CG 4.11Å; V51-E55 WeakPolarHBondContact O-CG 3.17Å; V51-E55 PolarHBondContact O-N 2.88Å; V53-E55 PolarHBondContact O-N 2.74Å; E55-S85 PolarHBondContact OE1-OG 3.08Å; E55-Q87 HydrophobicContact CB-CB 4.44Å; E55-Q87 HydrophobicContact CG-CB 3.85Å
56Q90.2Very high91.3Very high167 Ų16745.4 Ų45.478%0.7825%0.253SS*.Hα-helixtrans-78.9-26.8175.9-70.8173.73000113.2S52 V53S52-Q56 VanDerWaalsContact O-CG 3.24Å; S52-Q56 WeakPolarHBondContact O-CG 3.45Å; S52-Q56 PolarHBondContact O-N 3.36Å; S52-Q56 PolarHBondContact O-NE2 2.94Å; V53-Q56 PolarHBondContact O-N 3.21Å
57G88.5Confident91.4Very high41 Ų4145.4 Ų45.442%0.42325%0.253SS..  trans117.3125.5-179.700000112.5V53 L54 Y95V53-G57 CarbonylContact O-C 3.48Å; V53-G57 PolarHBondContact O-N 3.44Å; L54-G57 PolarHBondContact O-N 2.99Å; G57-Y95 WeakPolarHBondContact CA-OH 3.5Å
58L88.8Confident91.5Very high6 Ų648.1 Ų48.13%0.03127%0.266CS..  trans-79.6138.9-176.6-62.2178.8000111.7V53 L54 R63 W66 L67 Y95V53-L58 HydrophobicContact CG1-CD2 4.03Å; L54-L58 HydrophobicContact CD1-CD1 3.87Å; L54-L58 HydrophobicContact CD1-CD2 4.48Å; L54-L58 HydrophobicContact CD1-CG 4.15Å; L58-R63 HydrophobicContact CB-CG 3.94Å; L58-R63 PolarHBondContact O-NE 2.95Å; L58-R63 VanDerWaalsContact O-NE 3.13Å; L58-W66 HydrophobicContact CD1-CB 3.98Å; L58-W66 HydrophobicContact CD2-CB 3.97Å; L58-W66 HydrophobicContact CD2-CD2 4.09Å; L58-W66 HydrophobicContact CD2-CE3 4.16Å; L58-W66 HydrophobicContact CD2-CG 4.01Å; L58-L67 HydrophobicContact CD1-CD2 4.04Å; L58-L67 HydrophobicContact CD1-CG 4Å; L58-Y95 HydrophobicContact CD1-CD2 4.43Å; L58-Y95 HydrophobicContact CD1-CE2 3.9Å; L58-Y95 HydrophobicContact CG-CE2 4.07Å; L58-Y95 PolarHBondContact N-OH 3.3Å
59P86.5Confident91.5Very high42 Ų4242.5 Ų42.527%0.27324%0.24SC..  trans-61.5132177.424.9-32.9000110.8S61 H62 R63P59-S61 VanDerWaalsContact C-N 3.29Å; P59-S61 PolarHBondContact O-N 3.5Å; P59-H62 PolarHBondContact O-N 2.72Å; P59-R63 WeakPolarHBondContact O-CG 3.45Å; P59-R63 PolarHBondContact O-N 3.2Å
60P84.5Confident91.6Very high103 Ų10340.8 Ų40.867%0.66923%0.231SC*.G310 helixtrans-56-37.1-174-25.532.7000114.9H62P60-H62 PolarHBondContact O-N 2.99Å
61S83.6Confident91.7Very high79 Ų7942 Ų4255%0.55224%0.235SC*.G310 helixtrans-63-23-176450000114.3P59P59-S61 VanDerWaalsContact C-N 3.29Å; P59-S61 PolarHBondContact O-N 3.5Å
62H87.6Confident91.7Very high47 Ų4741.5 Ų41.522%0.21823%0.232CC..G310 helixtrans-138.111-163.9-69-35.8000114.2E15 M19 P59 P60 V64 T65 W66E15-H62 IonicContact OE1-CD2 3.52Å; E15-H62 IonicContact OE1-NE2 3.94Å; M19-H62 HydrophobicContact CE-CB 3.43Å; M19-H62 VanDerWaalsContact CE-CB 3.43Å; M19-H62 HydrophobicContact SD-CB 3.5Å; M19-H62 WeakPolarHBondContact SD-CB 3.44Å; M19-H62 VanDerWaalsContact SD-CG 3.55Å; P59-H62 PolarHBondContact O-N 2.72Å; P60-H62 PolarHBondContact O-N 2.99Å; H62-V64 VanDerWaalsContact C-N 3.26Å; H62-V64 PolarHBondContact O-N 3.39Å; H62-V64 VanDerWaalsContact O-N 3.17Å; H62-T65 PolarHBondContact O-N 3.34Å; H62-T65 VanDerWaalsContact O-N 3.09Å; H62-W66 PolarHBondContact O-N 2.93Å
63R91.8Very high91.8Very high82 Ų8239.3 Ų39.331%0.30922%0.217SC..Hα-helixtrans-51.6-42.9-176.1-64.5-169.1175.7155.1-1.5113.3L58 P59 T65 W66 L67 V113L58-R63 HydrophobicContact CB-CG 3.94Å; L58-R63 PolarHBondContact O-NE 2.95Å; L58-R63 VanDerWaalsContact O-NE 3.13Å; P59-R63 WeakPolarHBondContact O-CG 3.45Å; P59-R63 PolarHBondContact O-N 3.2Å; R63-T65 PolarHBondContact O-N 3.23Å; R63-W66 PolarHBondContact O-N 3.45Å; R63-L67 WeakPolarHBondContact O-CB 3.47Å; R63-L67 VanDerWaalsContact O-CG 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.44Å; R63-L67 PolarHBondContact O-N 3.32Å; R63-V113 HydrophobicContact CB-CG1 4.37Å; R63-V113 HydrophobicContact CB-CG2 3.8Å
64V94.2Very high91.9Very high33 Ų3337.6 Ų37.620%0.221%0.207CC..Hα-helixtrans-59.8-45-178.9179.70000111.5H62 W66 L67 Q68 D112 V113 E116H62-V64 VanDerWaalsContact C-N 3.26Å; H62-V64 PolarHBondContact O-N 3.39Å; H62-V64 VanDerWaalsContact O-N 3.17Å; V64-W66 PolarHBondContact O-N 3.05Å; V64-L67 PolarHBondContact O-N 3.48Å; V64-Q68 HydrophobicContact CG1-CG 4.43Å; V64-Q68 WeakPolarHBondContact O-CB 3.42Å; V64-Q68 VanDerWaalsContact O-CG 3.27Å; V64-Q68 WeakPolarHBondContact O-CG 3.48Å; V64-Q68 PolarHBondContact O-N 3.04Å; V64-D112 HydrophobicContact CG1-CB 4.49Å; V64-D112 HydrophobicContact CG2-CB 3.76Å; V64-V113 HydrophobicContact CG2-CG2 3.67Å; V64-E116 HydrophobicContact CG1-CG 4.25Å
65T94.4Very high91.9Very high21 Ų2139.9 Ų39.913%0.12922%0.215CC..Hα-helixtrans-65.5-41.6-179.5-50.20000111.6M19 L22 R23 N26 H62 R63 Q68 S69M19-T65 HydrophobicContact CE-CG2 3.74Å; L22-T65 HydrophobicContact CB-CG2 3.88Å; R23-T65 HydrophobicContact CG-CG2 3.91Å; N26-T65 PolarHBondContact ND2-O 3.35Å; H62-T65 PolarHBondContact O-N 3.34Å; H62-T65 VanDerWaalsContact O-N 3.09Å; R63-T65 PolarHBondContact O-N 3.23Å; T65-Q68 PolarHBondContact O-N 3.46Å; T65-S69 PolarHBondContact O-N 2.9Å; T65-S69 PolarHBondContact O-OG 3.35Å
66W95.3Very high91.9Very high14 Ų1437.1 Ų37.15%0.05320%0.203CC..Hα-helixtrans-61-49174.8-80.589.9000111.6V10 I18 L22 L50 V53 L58 H62 R63 V64 Q68 S69 V70V10-W66 HydrophobicContact CG1-CH2 4.39Å; I18-W66 HydrophobicContact CG2-CH2 4.1Å; I18-W66 HydrophobicContact CG2-CZ2 3.64Å; L22-W66 HydrophobicContact CD1-CD2 3.84Å; L22-W66 HydrophobicContact CD1-CE3 4.21Å; L22-W66 HydrophobicContact CD1-CG 4.28Å; L22-W66 HydrophobicContact CD1-CH2 4.33Å; L22-W66 HydrophobicContact CD1-CZ2 3.99Å; L22-W66 HydrophobicContact CD1-CZ3 4.45Å; L50-W66 HydrophobicContact CD2-CE3 3.65Å; L50-W66 HydrophobicContact CD2-CH2 4.25Å; L50-W66 HydrophobicContact CD2-CZ3 3.29Å; V53-W66 HydrophobicContact CB-CE3 4.49Å; V53-W66 HydrophobicContact CB-CH2 4.13Å; V53-W66 HydrophobicContact CB-CZ3 3.85Å; V53-W66 HydrophobicContact CG1-CE3 4.37Å; V53-W66 HydrophobicContact CG1-CH2 3.94Å; V53-W66 HydrophobicContact CG1-CZ2 4.3Å; V53-W66 HydrophobicContact CG1-CZ3 3.95Å; V53-W66 HydrophobicContact CG2-CH2 3.93Å; V53-W66 HydrophobicContact CG2-CZ3 4Å; L58-W66 HydrophobicContact CD1-CB 3.98Å; L58-W66 HydrophobicContact CD2-CB 3.97Å; L58-W66 HydrophobicContact CD2-CD2 4.09Å; L58-W66 HydrophobicContact CD2-CE3 4.16Å; L58-W66 HydrophobicContact CD2-CG 4.01Å; H62-W66 PolarHBondContact O-N 2.93Å; R63-W66 PolarHBondContact O-N 3.45Å; V64-W66 PolarHBondContact O-N 3.05Å; W66-Q68 VanDerWaalsContact C-N 3.32Å; W66-Q68 PolarHBondContact O-N 3.4Å; W66-S69 WeakPolarHBondContact O-CB 3.28Å; W66-S69 PolarHBondContact O-N 3.2Å; W66-S69 VanDerWaalsContact O-N 3.15Å; W66-V70 WeakPolarHBondContact O-CG2 3.49Å; W66-V70 PolarHBondContact O-N 3.22Å
67L95.9Very high91.8Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-64.1-35.5179.4-69.8169.5000112.4L54 L58 R63 V64 S69 V70 R71 L92 Y95 V113 E116 S117 C120L54-L67 HydrophobicContact CD1-CD2 4.4Å; L58-L67 HydrophobicContact CD1-CD2 4.04Å; L58-L67 HydrophobicContact CD1-CG 4Å; R63-L67 WeakPolarHBondContact O-CB 3.47Å; R63-L67 VanDerWaalsContact O-CG 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.44Å; R63-L67 PolarHBondContact O-N 3.32Å; V64-L67 PolarHBondContact O-N 3.48Å; L67-S69 VanDerWaalsContact C-N 3.33Å; L67-S69 PolarHBondContact O-N 2.86Å; L67-V70 PolarHBondContact O-N 3.3Å; L67-R71 VanDerWaalsContact O-CB 3.31Å; L67-R71 WeakPolarHBondContact O-CB 3.34Å; L67-R71 PolarHBondContact O-N 2.86Å; L67-L92 HydrophobicContact CD2-CD2 3.65Å; L67-Y95 HydrophobicContact CD2-CD2 4.37Å; L67-V113 HydrophobicContact CD1-CB 4.42Å; L67-V113 HydrophobicContact CD1-CG1 3.73Å; L67-E116 HydrophobicContact CB-CB 3.79Å; L67-E116 HydrophobicContact CD1-CB 4.38Å; L67-S117 WeakPolarHBondContact CD1-OG 3.29Å; L67-C120 PolarHBondContact O-SG 2.92Å
68Q96.1Very high91.7Very high57 Ų5739.6 Ų39.627%0.26620%0.197SC..Hα-helixtrans-61.8-40.6173-78.7174.3-3.900112.1N26 V64 T65 W66 R71 I72 E116N26-Q68 VanDerWaalsContact ND2-CB 3.31Å; N26-Q68 WeakPolarHBondContact ND2-CB 3.47Å; N26-Q68 PolarHBondContact ND2-OE1 3.08Å; V64-Q68 HydrophobicContact CG1-CG 4.43Å; V64-Q68 WeakPolarHBondContact O-CB 3.42Å; V64-Q68 VanDerWaalsContact O-CG 3.27Å; V64-Q68 WeakPolarHBondContact O-CG 3.48Å; V64-Q68 PolarHBondContact O-N 3.04Å; T65-Q68 PolarHBondContact O-N 3.46Å; W66-Q68 VanDerWaalsContact C-N 3.32Å; W66-Q68 PolarHBondContact O-N 3.4Å; Q68-R71 WeakPolarHBondContact O-CB 3.25Å; Q68-R71 PolarHBondContact O-N 2.82Å; Q68-I72 VanDerWaalsContact O-CG1 3.31Å; Q68-I72 WeakPolarHBondContact O-CG1 3.02Å; Q68-I72 PolarHBondContact O-N 3.33Å; Q68-E116 HydrophobicContact CG-CG 4.02Å; Q68-E116 WeakPolarHBondContact CG-OE2 3.42Å
69S95.1Very high91.6Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-66.3-43.9176.2-53.60000111.2L22 N26 T65 W66 L67 R71 I72 L73L22-S69 WeakPolarHBondContact CD2-OG 3.49Å; N26-S69 PolarHBondContact ND2-OG 2.86Å; N26-S69 VanDerWaalsContact OD1-CA 3.32Å; N26-S69 WeakPolarHBondContact OD1-CA 3.28Å; N26-S69 WeakPolarHBondContact OD1-CB 3.38Å; N26-S69 PolarHBondContact OD1-N 3.31Å; N26-S69 PolarHBondContact OD1-OG 3.15Å; T65-S69 PolarHBondContact O-N 2.9Å; T65-S69 PolarHBondContact O-OG 3.35Å; W66-S69 WeakPolarHBondContact O-CB 3.28Å; W66-S69 PolarHBondContact O-N 3.2Å; W66-S69 VanDerWaalsContact O-N 3.15Å; L67-S69 VanDerWaalsContact C-N 3.33Å; L67-S69 PolarHBondContact O-N 2.86Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 2.64Å; S69-I72 PolarHBondContact O-N 3.41Å; S69-L73 WeakPolarHBondContact O-CG 3.16Å; S69-L73 PolarHBondContact O-N 2.96Å
70V95.3Very high91.6Very high2 Ų237.7 Ų37.71%0.01219%0.185CC..Hα-helixtrans-58.5-43.6172.4174.30000110.8L50 W66 L67 I72 L73 S74 F83L50-V70 HydrophobicContact CB-CG2 4.29Å; L50-V70 HydrophobicContact CD1-CG2 4.18Å; W66-V70 WeakPolarHBondContact O-CG2 3.49Å; W66-V70 PolarHBondContact O-N 3.22Å; L67-V70 PolarHBondContact O-N 3.3Å; V70-I72 PolarHBondContact O-N 3.44Å; V70-L73 PolarHBondContact O-N 2.76Å; V70-S74 WeakPolarHBondContact O-CB 3.4Å; V70-S74 PolarHBondContact O-N 3.13Å; V70-S74 PolarHBondContact O-OG 3.45Å; V70-F83 HydrophobicContact CB-CE1 4.26Å; V70-F83 HydrophobicContact CG1-CD1 3.83Å; V70-F83 HydrophobicContact CG1-CE1 3.7Å; V70-F83 HydrophobicContact CG1-CZ 4.31Å; V70-F83 HydrophobicContact CG2-CE1 3.94Å
71R95.8Very high91.8Very high26 Ų2638.7 Ų38.710%0.09818%0.184CC..Hα-helixtrans-61.3-43.7178.2-174.1-177.555.168.3-2.4111.7L67 Q68 S69 S74 R75 E116 K119 C120 N123L67-R71 VanDerWaalsContact O-CB 3.31Å; L67-R71 WeakPolarHBondContact O-CB 3.34Å; L67-R71 PolarHBondContact O-N 2.86Å; Q68-R71 WeakPolarHBondContact O-CB 3.25Å; Q68-R71 PolarHBondContact O-N 2.82Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 2.64Å; R71-S74 WeakPolarHBondContact CA-OG 3.26Å; R71-S74 PolarHBondContact O-N 3.49Å; R71-S74 PolarHBondContact O-OG 2.86Å; R71-R75 VanDerWaalsContact NH1-CZ 3.33Å; R71-E116 VanDerWaalsContact CD-OE2 3.27Å; R71-E116 WeakPolarHBondContact CD-OE2 3.18Å; R71-E116 IonicContact CZ-OE2 2.89Å; R71-E116 IonicContact NE-OE1 3.24Å; R71-E116 IonicContact NE-OE2 3.77Å; R71-E116 PolarHBondContact NE-OE2 3.46Å; R71-E116 IonicContact NH2-OE2 3.13Å; R71-K119 VanDerWaalsContact CD-CD 3.49Å; R71-K119 HydrophobicContact CG-CB 4.02Å; R71-C120 VanDerWaalsContact CA-SG 3.53Å; R71-C120 VanDerWaalsContact CB-SG 3.57Å; R71-C120 PolarHBondContact N-SG 3.42Å; R71-N123 PolarHBondContact O-ND2 3.24Å
72I94.8Very high92.1Very high1 Ų136.4 Ų36.41%0.00517%0.168CC..Hα-helixtrans-63-48.6178.2-69.8164.7000109.9Y25 N26 H29 F35 Q68 S69 V70 S74 R75Y25-I72 HydrophobicContact CE1-CB 4.37Å; Y25-I72 HydrophobicContact CE1-CG2 3.87Å; N26-I72 HydrophobicContact CB-CD1 4.22Å; H29-I72 HydrophobicContact CB-CD1 4.33Å; H29-I72 HydrophobicContact CB-CG2 3.84Å; F35-I72 HydrophobicContact CE1-CG2 4.16Å; F35-I72 HydrophobicContact CZ-CG2 4.24Å; F35-I72 WeakPolarHBondContact CZ-O 3.25Å; Q68-I72 VanDerWaalsContact O-CG1 3.31Å; Q68-I72 WeakPolarHBondContact O-CG1 3.02Å; Q68-I72 PolarHBondContact O-N 3.33Å; S69-I72 PolarHBondContact O-N 3.41Å; V70-I72 PolarHBondContact O-N 3.44Å; I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 3.19Å; I72-R75 WeakPolarHBondContact O-CB 3.29Å; I72-R75 PolarHBondContact O-N 3.28Å; I72-R75 VanDerWaalsContact O-N 3.13Å
73L94.1Very high92.3Very high0 Ų034.1 Ų34.10%016%0.157CC..Hα-helixtrans-65.7-32179.3-65.5178.4000112.8Y25 R43 L46 A47 L50 S69 V70 R75 D76 F83Y25-L73 WeakPolarHBondContact OH-CD2 3.41Å; R43-L73 HydrophobicContact CB-CD2 4.21Å; R43-L73 HydrophobicContact CG-CD2 4.22Å; L46-L73 HydrophobicContact CD2-CD1 4.12Å; L46-L73 HydrophobicContact CG-CD1 4Å; A47-L73 HydrophobicContact CB-CD1 4.15Å; L50-L73 HydrophobicContact CD1-CD1 3.68Å; S69-L73 WeakPolarHBondContact O-CG 3.16Å; S69-L73 PolarHBondContact O-N 2.96Å; V70-L73 PolarHBondContact O-N 2.76Å; L73-R75 PolarHBondContact O-N 2.96Å; L73-R75 VanDerWaalsContact O-N 3.08Å; L73-D76 PolarHBondContact O-N 3.26Å; L73-F83 HydrophobicContact CB-CE2 3.86Å; L73-F83 HydrophobicContact CB-CZ 4.11Å; L73-F83 HydrophobicContact CD1-CZ 4.15Å
74S93.6Very high92.4Very high0 Ų030.9 Ų30.90%015%0.147CC..THydrogen-bonded Turntrans-66.5-6.5175.372.30000114.4V70 R71 I72 L80 N123V70-S74 WeakPolarHBondContact O-CB 3.4Å; V70-S74 PolarHBondContact O-N 3.13Å; V70-S74 PolarHBondContact O-OG 3.45Å; R71-S74 WeakPolarHBondContact CA-OG 3.26Å; R71-S74 PolarHBondContact O-N 3.49Å; R71-S74 PolarHBondContact O-OG 2.86Å; I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 3.19Å; S74-L80 VanDerWaalsContact O-CD2 3.24Å; S74-L80 WeakPolarHBondContact O-CD2 3.33Å; S74-N123 VanDerWaalsContact OG-CB 3.29Å; S74-N123 WeakPolarHBondContact OG-CB 3.29Å; S74-N123 PolarHBondContact OG-ND2 3.02Å
75R92.6Very high92.3Very high48 Ų4831.1 Ų31.118%0.18115%0.149CC..THydrogen-bonded Turntrans-82.7-23.5170.5-62.3170.9174.3168.3-5.6112.3S30 S32 F35 R71 I72 L73S30-R75 PolarHBondContact O-NH1 3.17Å; S30-R75 PolarHBondContact O-NH2 2.84Å; S32-R75 VanDerWaalsContact O-CD 3.25Å; S32-R75 WeakPolarHBondContact O-CD 3.49Å; S32-R75 PolarHBondContact O-NH1 3.46Å; F35-R75 HydrophobicContact CE2-CB 3.8Å; F35-R75 HydrophobicContact CZ-CB 4.08Å; R71-R75 VanDerWaalsContact NH1-CZ 3.33Å; I72-R75 WeakPolarHBondContact O-CB 3.29Å; I72-R75 PolarHBondContact O-N 3.28Å; I72-R75 VanDerWaalsContact O-N 3.13Å; L73-R75 PolarHBondContact O-N 2.96Å; L73-R75 VanDerWaalsContact O-N 3.08Å
76D91.3Very high92.3Very high10 Ų1037.5 Ų37.55%0.05317%0.171CC..  trans-86.6114.6178.2-174.7-3.1000110.1F35 R43 L73 N78 C79F35-D76 HydrophobicContact CD2-CB 3.67Å; F35-D76 HydrophobicContact CE2-CB 3.88Å; F35-D76 HydrophobicContact CG-CB 4.16Å; R43-D76 IonicContact CZ-OD2 3.36Å; R43-D76 VanDerWaalsContact CZ-OD2 3.24Å; R43-D76 IonicContact NE-OD2 2.99Å; R43-D76 PolarHBondContact NE-OD2 2.91Å; R43-D76 IonicContact NH2-OD2 3.78Å; R43-D76 PolarHBondContact NH2-OD2 3.49Å; L73-D76 PolarHBondContact O-N 3.26Å; D76-N78 PolarHBondContact O-N 3.28Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.92Å; D76-C79 HydrophobicContact CB-CB 4.23Å; D76-C79 PolarHBondContact O-N 2.84Å; D76-C79 PolarHBondContact OD2-SG 3.42Å
77R87.3Confident92.2Very high191 Ų19142.6 Ų42.672%0.72120%0.196SC*.G310 helixtrans-59.7-28.8179.7-68.5-175.1177.1-170.7-1.3113.1C79 L80R77-C79 PolarHBondContact O-N 2.76Å; R77-L80 HydrophobicContact CB-CD1 4.4Å; R77-L80 HydrophobicContact CG-CD1 4.37Å
78N86.8Confident92.1Very high70 Ų7042.6 Ų42.637%0.37420%0.196SC..G310 helixtrans-77.4-10.2-178.8-62.4-31.6000112.9Q40 K44 D76Q40-N78 HydrophobicContact CG-CB 3.91Å; Q40-N78 PolarHBondContact OE1-ND2 3.27Å; Q40-N78 VanDerWaalsContact OE1-ND2 3.16Å; K44-N78 WeakPolarHBondContact CE-O 3.36Å; D76-N78 PolarHBondContact O-N 3.28Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.92Å
79C86.8Confident92Very high0 Ų040.3 Ų40.30%019%0.185CC..G310 helixtrans-11610.7-177.7-58.40000112.7R43 A47 D76 R77 P82 F83R43-C79 VanDerWaalsContact CB-SG 3.52Å; A47-C79 HydrophobicContact CB-CB 4.49Å; D76-C79 HydrophobicContact CB-CB 4.23Å; D76-C79 PolarHBondContact O-N 2.84Å; D76-C79 PolarHBondContact OD2-SG 3.42Å; R77-C79 PolarHBondContact O-N 2.76Å; C79-P82 WeakPolarHBondContact O-CD 3.42Å; C79-F83 VanDerWaalsContact O-CD2 3.26Å; C79-F83 WeakPolarHBondContact O-CD2 3.41Å; C79-F83 WeakPolarHBondContact O-CE2 3.32Å
80L87.8Confident91.9Very high7 Ų745 Ų454%0.03721%0.207CC..  trans-76.9-37.5-176.5-68.6172.2000113.3S74 R77 P82 F83 T84 L124 S127S74-L80 VanDerWaalsContact O-CD2 3.24Å; S74-L80 WeakPolarHBondContact O-CD2 3.33Å; R77-L80 HydrophobicContact CB-CD1 4.4Å; R77-L80 HydrophobicContact CG-CD1 4.37Å; L80-P82 VanDerWaalsContact C-CD 3.45Å; L80-P82 VanDerWaalsContact C-N 3.34Å; L80-F83 PolarHBondContact O-N 3.37Å; L80-T84 VanDerWaalsContact O-CG2 3.29Å; L80-T84 WeakPolarHBondContact O-CG2 3.06Å; L80-T84 PolarHBondContact O-N 3.2Å; L80-L124 HydrophobicContact CD2-CD2 3.77Å; L80-S127 VanDerWaalsContact CD1-CB 3.41Å
81D88.1Confident91.8Very high124 Ų12445.6 Ų45.666%0.66321%0.212SC*.G310 helixtrans-51.6-45.4-170.6-62.8-24.8000113.1F83 T84D81-F83 VanDerWaalsContact C-N 3.28Å; D81-F83 PolarHBondContact O-N 3.13Å; D81-T84 PolarHBondContact O-N 2.9Å; D81-T84 VanDerWaalsContact O-N 3.12Å; D81-T84 PolarHBondContact O-OG1 3.48Å
82P89.6Confident91.8Very high31 Ų3144.4 Ų44.420%0.20121%0.208CC..G310 helixtrans-57.5-38.1177-25.135.6000113.5A47 E48 V51 C79 L80 T84A47-P82 HydrophobicContact CB-CB 4.38Å; A47-P82 HydrophobicContact CB-CG 4.24Å; E48-P82 HydrophobicContact CG-CB 4.25Å; E48-P82 HydrophobicContact CG-CG 4.04Å; V51-P82 HydrophobicContact CG2-CB 3.93Å; V51-P82 WeakPolarHBondContact CG2-O 3.44Å; C79-P82 WeakPolarHBondContact O-CD 3.42Å; L80-P82 VanDerWaalsContact C-CD 3.45Å; L80-P82 VanDerWaalsContact C-N 3.34Å; P82-T84 VanDerWaalsContact C-N 3.28Å; P82-T84 PolarHBondContact O-N 3.37Å
83F92.3Very high91.8Very high0 Ų044.4 Ų44.40%021%0.208CC..G310 helixtrans-79-10.4-177.4-61.9-69.3000113.6A47 L50 V51 V70 L73 C79 L80 D81 S85 S88 L89 L124A47-F83 HydrophobicContact CB-CD2 4.44Å; A47-F83 HydrophobicContact CB-CE2 3.49Å; A47-F83 VanDerWaalsContact CB-CE2 3.49Å; A47-F83 HydrophobicContact CB-CZ 3.62Å; L50-F83 HydrophobicContact CB-CE1 4.39Å; V51-F83 HydrophobicContact CG2-CB 4.47Å; V51-F83 HydrophobicContact CG2-CD1 3.21Å; V51-F83 HydrophobicContact CG2-CE1 3.41Å; V51-F83 VanDerWaalsContact CG2-CE1 3.41Å; V51-F83 HydrophobicContact CG2-CG 3.91Å; V51-F83 HydrophobicContact CG2-CZ 4.27Å; V70-F83 HydrophobicContact CB-CE1 4.26Å; V70-F83 HydrophobicContact CG1-CD1 3.83Å; V70-F83 HydrophobicContact CG1-CE1 3.7Å; V70-F83 HydrophobicContact CG1-CZ 4.31Å; V70-F83 HydrophobicContact CG2-CE1 3.94Å; L73-F83 HydrophobicContact CB-CE2 3.86Å; L73-F83 HydrophobicContact CB-CZ 4.11Å; L73-F83 HydrophobicContact CD1-CZ 4.15Å; C79-F83 VanDerWaalsContact O-CD2 3.26Å; C79-F83 WeakPolarHBondContact O-CD2 3.41Å; C79-F83 WeakPolarHBondContact O-CE2 3.32Å; L80-F83 PolarHBondContact O-N 3.37Å; D81-F83 VanDerWaalsContact C-N 3.28Å; D81-F83 PolarHBondContact O-N 3.13Å; F83-S85 VanDerWaalsContact C-N 3.3Å; F83-S85 PolarHBondContact O-N 3.35Å; F83-S88 WeakPolarHBondContact O-CB 3.39Å; F83-S88 PolarHBondContact O-OG 3.1Å; F83-L89 VanDerWaalsContact O-CD1 3.32Å; F83-L89 WeakPolarHBondContact O-CD1 3.45Å; F83-L124 HydrophobicContact CB-CD1 4.21Å; F83-L124 HydrophobicContact CB-CD2 3.71Å
84T92.5Very high91.8Very high14 Ų1447.2 Ų47.29%0.08623%0.227CC..G310 helixtrans-91.718.7-173.5640000113.9L80 D81 P82 S128 A131 L134L80-T84 VanDerWaalsContact O-CG2 3.29Å; L80-T84 WeakPolarHBondContact O-CG2 3.06Å; L80-T84 PolarHBondContact O-N 3.2Å; D81-T84 PolarHBondContact O-N 2.9Å; D81-T84 VanDerWaalsContact O-N 3.12Å; D81-T84 PolarHBondContact O-OG1 3.48Å; P82-T84 VanDerWaalsContact C-N 3.28Å; P82-T84 PolarHBondContact O-N 3.37Å; T84-S128 VanDerWaalsContact CG2-OG 3.28Å; T84-S128 WeakPolarHBondContact CG2-OG 3.3Å; T84-A131 HydrophobicContact CG2-CB 4.29Å; T84-L134 WeakPolarHBondContact O-CD1 3.46Å
85S93.6Very high91.8Very high37 Ų3748.9 Ų48.926%0.25923%0.234SC..SBendtrans-73.3155.6172.388.80000111.5E55 F83 Q87 S88 L89E55-S85 PolarHBondContact OE1-OG 3.08Å; F83-S85 VanDerWaalsContact C-N 3.3Å; F83-S85 PolarHBondContact O-N 3.35Å; S85-Q87 VanDerWaalsContact C-N 3.29Å; S85-Q87 PolarHBondContact O-N 3.39Å; S85-Q87 PolarHBondContact OG-N 3.28Å; S85-S88 PolarHBondContact O-N 3.28Å; S85-S88 WeakPolarHBondContact OG-CB 3.5Å; S85-S88 PolarHBondContact OG-N 3.44Å; S85-L89 WeakPolarHBondContact O-CD1 3.16Å; S85-L89 PolarHBondContact O-N 2.92Å
86R93.3Very high91.9Very high156 Ų15646.6 Ų46.659%0.58923%0.225SC*.Hα-helixtrans-60-39.5174.8-178.4178.4-78.3-175.5-4111.9Q90 L134 E137R86-Q90 VanDerWaalsContact O-CB 3.28Å; R86-Q90 WeakPolarHBondContact O-CB 3.25Å; R86-Q90 PolarHBondContact O-N 2.92Å; R86-L134 HydrophobicContact CB-CD2 4.13Å; R86-L134 HydrophobicContact CG-CD2 4.47Å; R86-E137 IonicContact CZ-OE2 3.53Å; R86-E137 IonicContact NE-OE2 2.97Å; R86-E137 IonicContact NH2-OE2 2.75Å; R86-E137 PolarHBondContact NH2-OE2 2.9Å
87Q92.8Very high91.9Very high121 Ų12148.9 Ų48.957%0.56524%0.237SC*.Hα-helixtrans-70.8-43.5-178.2-65.6179.3800111.5E55 S85 Q90 A91E55-Q87 HydrophobicContact CB-CB 4.44Å; E55-Q87 HydrophobicContact CG-CB 3.85Å; S85-Q87 VanDerWaalsContact C-N 3.29Å; S85-Q87 PolarHBondContact O-N 3.39Å; S85-Q87 PolarHBondContact OG-N 3.28Å; Q87-Q90 PolarHBondContact O-N 2.96Å; Q87-A91 WeakPolarHBondContact O-CB 3.35Å; Q87-A91 PolarHBondContact O-N 2.7Å
88S94.1Very high92.1Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-58.9-49.8174.8169.90000111.6F83 S85 Q90 A91 L92F83-S88 WeakPolarHBondContact O-CB 3.39Å; F83-S88 PolarHBondContact O-OG 3.1Å; S85-S88 PolarHBondContact O-N 3.28Å; S85-S88 WeakPolarHBondContact OG-CB 3.5Å; S85-S88 PolarHBondContact OG-N 3.44Å; S88-Q90 VanDerWaalsContact C-N 3.32Å; S88-Q90 PolarHBondContact O-N 3.26Å; S88-A91 PolarHBondContact O-N 3.08Å; S88-L92 WeakPolarHBondContact O-CG 3.42Å; S88-L92 PolarHBondContact O-N 3.3Å
89L94.5Very high92.2Very high9 Ų937.6 Ų37.65%0.04719%0.193CC..Hα-helixtrans-62.4-39.9177.2-95.979.3000112.1F83 S85 L92 A93 L124 A131 L134 A135F83-L89 VanDerWaalsContact O-CD1 3.32Å; F83-L89 WeakPolarHBondContact O-CD1 3.45Å; S85-L89 WeakPolarHBondContact O-CD1 3.16Å; S85-L89 PolarHBondContact O-N 2.92Å; L89-L92 PolarHBondContact O-N 3.27Å; L89-A93 VanDerWaalsContact O-CB 3.29Å; L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.87Å; L89-L124 HydrophobicContact CD1-CD1 4.37Å; L89-A131 HydrophobicContact CD1-CB 4.42Å; L89-A131 HydrophobicContact CD2-CB 4.09Å; L89-L134 HydrophobicContact CD2-CB 3.75Å; L89-A135 HydrophobicContact CD2-CB 4.45Å
90Q93.7Very high91.3Very high98 Ų9840.3 Ų40.346%0.45822%0.221SC..Hα-helixtrans-65.3-41.6176.8-174.1174.42.200111.6R86 Q87 S88 A93 C94R86-Q90 VanDerWaalsContact O-CB 3.28Å; R86-Q90 WeakPolarHBondContact O-CB 3.25Å; R86-Q90 PolarHBondContact O-N 2.92Å; Q87-Q90 PolarHBondContact O-N 2.96Å; S88-Q90 VanDerWaalsContact C-N 3.32Å; S88-Q90 PolarHBondContact O-N 3.26Å; Q90-A93 PolarHBondContact O-N 3.36Å; Q90-C94 WeakPolarHBondContact O-CB 3.31Å; Q90-C94 PolarHBondContact O-N 3.36Å; Q90-C94 PolarHBondContact O-SG 3.4Å
91A93.4Very high89.9Confident15 Ų1543.5 Ų43.512%0.12424%0.244CC..Hα-helixtrans-61.2-47.7175.500000111.2L54 Q87 S88 A93 C94 Y95L54-A91 HydrophobicContact CD1-CB 4.4Å; L54-A91 HydrophobicContact CG-CB 4.16Å; Q87-A91 WeakPolarHBondContact O-CB 3.35Å; Q87-A91 PolarHBondContact O-N 2.7Å; S88-A91 PolarHBondContact O-N 3.08Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A91-A93 PolarHBondContact O-N 3.49Å; A91-C94 WeakPolarHBondContact O-CB 3.46Å; A91-C94 PolarHBondContact O-N 2.72Å; A91-Y95 HydrophobicContact CB-CE2 4.18Å; A91-Y95 WeakPolarHBondContact O-CD2 3.27Å; A91-Y95 PolarHBondContact O-N 3.47Å
92L95.7Very high87.9Confident0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-61.2-40.7175-69173000112.2L54 L67 S88 L89 C94 Y95 A96 C120 L121 L124L54-L92 HydrophobicContact CD1-CD2 4.11Å; L54-L92 HydrophobicContact CD2-CD1 4.49Å; L54-L92 HydrophobicContact CD2-CD2 4.21Å; L54-L92 HydrophobicContact CD2-CG 4.09Å; L67-L92 HydrophobicContact CD2-CD2 3.65Å; S88-L92 WeakPolarHBondContact O-CG 3.42Å; S88-L92 PolarHBondContact O-N 3.3Å; L89-L92 PolarHBondContact O-N 3.27Å; L92-C94 VanDerWaalsContact C-N 3.33Å; L92-C94 PolarHBondContact O-N 2.94Å; L92-Y95 PolarHBondContact O-N 2.99Å; L92-A96 VanDerWaalsContact O-CB 3.25Å; L92-A96 WeakPolarHBondContact O-CB 3.33Å; L92-A96 PolarHBondContact O-N 3.11Å; L92-C120 HydrophobicContact CD1-CB 4.14Å; L92-C120 HydrophobicContact CD2-CB 4.09Å; L92-L121 HydrophobicContact CB-CD1 4.47Å; L92-L121 HydrophobicContact CB-CD2 3.82Å; L92-L121 HydrophobicContact CB-CG 4.04Å; L92-L121 HydrophobicContact CD1-CD2 4.3Å; L92-L124 HydrophobicContact CD1-CD1 3.6Å
93A94.7Very high85.8Confident1 Ų148 Ų481%0.00827%0.27CS..Hα-helixtrans-64.9-36175.400000112.4L89 Q90 A91 A96 D97 I98 S99 L140L89-A93 VanDerWaalsContact O-CB 3.29Å; L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.87Å; Q90-A93 PolarHBondContact O-N 3.36Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A91-A93 PolarHBondContact O-N 3.49Å; A93-A96 PolarHBondContact O-N 3.31Å; A93-D97 PolarHBondContact O-N 2.69Å; A93-D97 VanDerWaalsContact O-N 3.15Å; A93-I98 HydrophobicContact CB-CG1 4.23Å; A93-I98 PolarHBondContact O-N 3.47Å; A93-S99 PolarHBondContact O-N 3.32Å; A93-L140 HydrophobicContact CB-CD1 4.41Å; A93-L140 HydrophobicContact CB-CD2 3.59Å
94C92.7Very high83.4Confident60 Ų6053.8 Ų53.841%0.40531%0.31SS..Hα-helixtrans-66.2-44.9173.1-70.40000111.3Q90 A91 L92 A96 D97 S99Q90-C94 WeakPolarHBondContact O-CB 3.31Å; Q90-C94 PolarHBondContact O-N 3.36Å; Q90-C94 PolarHBondContact O-SG 3.4Å; A91-C94 WeakPolarHBondContact O-CB 3.46Å; A91-C94 PolarHBondContact O-N 2.72Å; L92-C94 VanDerWaalsContact C-N 3.33Å; L92-C94 PolarHBondContact O-N 2.94Å; C94-A96 VanDerWaalsContact C-N 3.3Å; C94-A96 PolarHBondContact O-N 3.49Å; C94-D97 PolarHBondContact O-N 3.02Å; C94-D97 VanDerWaalsContact O-N 3.1Å; C94-S99 WeakPolarHBondContact SG-CB 3.36Å; C94-S99 PolarHBondContact SG-OG 3.47Å; C94-S99 VanDerWaalsContact SG-OG 3.35Å
95Y93.6Very high81.3Confident34 Ų3457.6 Ų57.613%0.13333%0.333CS..Hα-helixtrans-68-29.9176.4-64-50.9000113.3L54 G57 L58 L67 A91 L92 D97 V113 S117L54-Y95 HydrophobicContact CD1-CD2 4.17Å; L54-Y95 HydrophobicContact CD1-CE2 3.69Å; G57-Y95 WeakPolarHBondContact CA-OH 3.5Å; L58-Y95 HydrophobicContact CD1-CD2 4.43Å; L58-Y95 HydrophobicContact CD1-CE2 3.9Å; L58-Y95 HydrophobicContact CG-CE2 4.07Å; L58-Y95 PolarHBondContact N-OH 3.3Å; L67-Y95 HydrophobicContact CD2-CD2 4.37Å; A91-Y95 HydrophobicContact CB-CE2 4.18Å; A91-Y95 WeakPolarHBondContact O-CD2 3.27Å; A91-Y95 PolarHBondContact O-N 3.47Å; L92-Y95 PolarHBondContact O-N 2.99Å; Y95-D97 PolarHBondContact O-N 3.28Å; Y95-V113 HydrophobicContact CD1-CG1 4.34Å; Y95-V113 HydrophobicContact CG-CG1 4.43Å; Y95-S117 WeakPolarHBondContact CB-OG 3.44Å
96A94.4Very high79.3Confident0 Ų059.7 Ų59.70%035%0.346CS..THydrogen-bonded Turntrans-80.70.3172.600000113.4L92 A93 C94 I98 L118 L121 R147L92-A96 VanDerWaalsContact O-CB 3.25Å; L92-A96 WeakPolarHBondContact O-CB 3.33Å; L92-A96 PolarHBondContact O-N 3.11Å; A93-A96 PolarHBondContact O-N 3.31Å; C94-A96 VanDerWaalsContact C-N 3.3Å; C94-A96 PolarHBondContact O-N 3.49Å; A96-I98 VanDerWaalsContact C-N 3.29Å; A96-I98 HydrophobicContact CB-CD1 4.15Å; A96-I98 HydrophobicContact CB-CG1 3.88Å; A96-I98 PolarHBondContact O-N 2.78Å; A96-L118 HydrophobicContact CB-CD2 4.1Å; A96-L118 HydrophobicContact CB-CG 4.18Å; A96-L121 HydrophobicContact CB-CD1 4.01Å; A96-R147 PolarHBondContact O-NH1 3.16Å; A96-R147 PolarHBondContact O-NH2 2.78Å; A96-R147 VanDerWaalsContact O-NH2 3.13Å
97D92Very high77.4Confident59 Ų5960.9 Ų60.932%0.31636%0.364SS..THydrogen-bonded Turntrans54.141.4-178-165.839.8000113.5A93 C94 Y95 R147A93-D97 PolarHBondContact O-N 2.69Å; A93-D97 VanDerWaalsContact O-N 3.15Å; C94-D97 PolarHBondContact O-N 3.02Å; C94-D97 VanDerWaalsContact O-N 3.1Å; Y95-D97 PolarHBondContact O-N 3.28Å; D97-R147 PolarHBondContact O-NH1 3.46Å
98I92.4Very high76.1Confident1 Ų159.9 Ų59.91%0.00537%0.37CS..  trans-131.516.1178.259.4173.7000113A93 A96 L118 L121 L140 K143 L144 R147 L167A93-I98 HydrophobicContact CB-CG1 4.23Å; A93-I98 PolarHBondContact O-N 3.47Å; A96-I98 VanDerWaalsContact C-N 3.29Å; A96-I98 HydrophobicContact CB-CD1 4.15Å; A96-I98 HydrophobicContact CB-CG1 3.88Å; A96-I98 PolarHBondContact O-N 2.78Å; I98-L118 HydrophobicContact CD1-CD2 4.25Å; I98-L121 HydrophobicContact CD1-CD1 3.82Å; I98-L140 HydrophobicContact CD1-CD1 4.47Å; I98-L140 WeakPolarHBondContact O-CD2 3.39Å; I98-K143 HydrophobicContact CB-CB 3.97Å; I98-K143 HydrophobicContact CG2-CB 4.34Å; I98-K143 WeakPolarHBondContact O-CB 3.39Å; I98-L144 HydrophobicContact CB-CG 4.46Å; I98-L144 HydrophobicContact CD1-CD1 4.35Å; I98-L144 HydrophobicContact CD1-CD2 4.09Å; I98-L144 HydrophobicContact CD1-CG 4.09Å; I98-L144 HydrophobicContact CG2-CD2 3.86Å; I98-L144 HydrophobicContact CG2-CG 4.05Å; I98-R147 VanDerWaalsContact CG2-NH2 3.29Å; I98-L167 HydrophobicContact CD1-CD2 3.84Å
99S88.1Confident75.4Confident23 Ų2361.7 Ų61.716%0.16138%0.382CS..  trans-81.2141.6174.5-176.90000110.9A93 C94 S101A93-S99 PolarHBondContact O-N 3.32Å; C94-S99 WeakPolarHBondContact SG-CB 3.36Å; C94-S99 PolarHBondContact SG-OG 3.47Å; C94-S99 VanDerWaalsContact SG-OG 3.35Å; S99-S101 PolarHBondContact O-N 3.42Å
100G67.5Low75.2Confident56 Ų5665.5 Ų65.558%0.57740%0.402SS*.  trans-75.87.4177.100000115.2E102G100-E102 PolarHBondContact O-N 3.34Å
101S59.8Low75.1Confident74 Ų7463.6 Ų63.652%0.51739%0.394SS..  trans-71.4123.4-178.3174.70000111.5S99 G103S99-S101 PolarHBondContact O-N 3.42Å; S101-G103 PolarHBondContact O-N 3.01Å
102E45.3Very low75.2Confident207 Ų20767.6 Ų67.697%0.96741%0.413SS*.  trans-67.729.5172.8-60.1-171.3157.900114.1G100G100-E102 PolarHBondContact O-N 3.34Å
103G45.7Very low75.1Confident43 Ų4368 Ų6844%0.44342%0.416SS..SBendtrans-85.6146.5174.900000110.5S101 V105S101-G103 PolarHBondContact O-N 3.01Å; G103-V105 PolarHBondContact O-N 3.15Å
104S42.3Very low75.2Confident121 Ų12168.2 Ų68.285%0.84642%0.417SS*.  trans-43.1107.2178.953.90000112
105V47.4Very low75.4Confident95 Ų9566.1 Ų66.158%0.57640%0.402SS*.  trans-58.1126.7171.2-178.90000107.2G103 D107G103-V105 PolarHBondContact O-N 3.15Å; V105-D107 PolarHBondContact O-N 2.88Å
106P51.8Low75.5Confident81 Ų8165.1 Ų65.153%0.52640%0.398SS..  trans-57.9129.6171.5-1929.9000109.3S108P106-S108 PolarHBondContact O-N 3.44Å
107D53.2Low75.6Confident181 Ų18165.1 Ų65.197%0.96840%0.398SS*.SBendtrans-54.6-17.3-176.1-74.5-41.5000114.2V105V105-D107 PolarHBondContact O-N 2.88Å
108S66.4Low75.9Confident99 Ų9962.3 Ų62.369%0.69238%0.383SS*.SBendtrans-151.7106.2165.660.10000110.4P106P106-S108 PolarHBondContact O-N 3.44Å
109P78.6Confident76.1Confident38 Ų3864.2 Ų64.225%0.24739%0.391CS..  trans-66.2139.6172.826.8-32.4000110.3M111 V114P109-M111 HydrophobicContact CG-CE 4.35Å; P109-M111 PolarHBondContact O-N 3.45Å; P109-V114 HydrophobicContact CB-CG2 3.96Å
110D89.9Confident76.6Confident89 Ų8963.1 Ų63.148%0.47638%0.384SS..  trans-67.7115.6172.7-177.5-12.7000109.4D112 V113 V114D110-D112 PolarHBondContact O-N 2.83Å; D110-D112 PolarHBondContact OD1-N 2.76Å; D110-V113 HydrophobicContact CB-CB 4.18Å; D110-V113 HydrophobicContact CB-CG2 3.94Å; D110-V113 WeakPolarHBondContact O-CB 3.31Å; D110-V113 PolarHBondContact O-N 3.23Å; D110-V113 VanDerWaalsContact O-N 3.15Å; D110-V114 WeakPolarHBondContact O-CG2 3.32Å; D110-V114 PolarHBondContact O-N 2.93Å
111M92.4Very high78Confident59 Ų5960.5 Ų60.529%0.29136%0.356SS..Hα-helixtrans-65.3-27.2-174-66.8-66.1162.600112.7P109 V114 L115 F156 P157 V160P109-M111 HydrophobicContact CG-CE 4.35Å; P109-M111 PolarHBondContact O-N 3.45Å; M111-V114 PolarHBondContact O-N 2.67Å; M111-L115 WeakPolarHBondContact O-CB 3.47Å; M111-L115 PolarHBondContact O-N 3.04Å; M111-F156 HydrophobicContact CE-CD1 4Å; M111-F156 HydrophobicContact CE-CE1 4.19Å; M111-F156 HydrophobicContact SD-CD1 4.31Å; M111-P157 HydrophobicContact CB-CG 4.17Å; M111-P157 HydrophobicContact CG-CG 4.1Å; M111-P157 HydrophobicContact SD-CG 4.46Å; M111-V160 HydrophobicContact SD-CG2 4.39Å
112D94.4Very high79.8Confident98 Ų9857.2 Ų57.252%0.52433%0.334SS..Hα-helixtrans-70.2-38176.4-71.3-27.6000110.9V64 D110 E116V64-D112 HydrophobicContact CG1-CB 4.49Å; V64-D112 HydrophobicContact CG2-CB 3.76Å; D110-D112 PolarHBondContact O-N 2.83Å; D110-D112 PolarHBondContact OD1-N 2.76Å; D112-E116 WeakPolarHBondContact O-CG 3.44Å; D112-E116 PolarHBondContact O-N 3.27Å
113V95.1Very high82.2Confident10 Ų1049.2 Ų49.26%0.06130%0.298CS..Hα-helixtrans-67.4-43.41751750000110.8R63 V64 L67 Y95 D110 S117R63-V113 HydrophobicContact CB-CG1 4.37Å; R63-V113 HydrophobicContact CB-CG2 3.8Å; V64-V113 HydrophobicContact CG2-CG2 3.67Å; L67-V113 HydrophobicContact CD1-CB 4.42Å; L67-V113 HydrophobicContact CD1-CG1 3.73Å; Y95-V113 HydrophobicContact CD1-CG1 4.34Å; Y95-V113 HydrophobicContact CG-CG1 4.43Å; D110-V113 HydrophobicContact CB-CB 4.18Å; D110-V113 HydrophobicContact CB-CG2 3.94Å; D110-V113 WeakPolarHBondContact O-CB 3.31Å; D110-V113 PolarHBondContact O-N 3.23Å; D110-V113 VanDerWaalsContact O-N 3.15Å; V113-S117 VanDerWaalsContact O-CB 3.28Å; V113-S117 WeakPolarHBondContact O-CB 3.47Å; V113-S117 PolarHBondContact O-N 3.1Å; V113-S117 PolarHBondContact O-OG 2.96Å
114V95.6Very high84.6Confident4 Ų447.2 Ų47.22%0.02428%0.277CS..Hα-helixtrans-60.7-49176.3172.20000110.2P109 D110 M111 S117 L118 V160P109-V114 HydrophobicContact CB-CG2 3.96Å; D110-V114 WeakPolarHBondContact O-CG2 3.32Å; D110-V114 PolarHBondContact O-N 2.93Å; M111-V114 PolarHBondContact O-N 2.67Å; V114-S117 PolarHBondContact O-N 3.15Å; V114-L118 HydrophobicContact CG1-CD1 3.92Å; V114-L118 HydrophobicContact CG1-CG 4.39Å; V114-L118 WeakPolarHBondContact O-CG 3.23Å; V114-L118 PolarHBondContact O-N 3.13Å; V114-V160 HydrophobicContact CG1-CG1 3.98Å
115L96.6Very high87.2Confident16 Ų1641.5 Ų41.58%0.08424%0.237CC..Hα-helixtrans-60.6-48.9-178.417758.4000112.4M111 S117 L118 K119 D159 V160 F163M111-L115 WeakPolarHBondContact O-CB 3.47Å; M111-L115 PolarHBondContact O-N 3.04Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 2.77Å; L115-L118 PolarHBondContact O-N 3.31Å; L115-K119 WeakPolarHBondContact O-CG 3.49Å; L115-K119 PolarHBondContact O-N 2.99Å; L115-K119 VanDerWaalsContact O-N 3.08Å; L115-D159 HydrophobicContact CD1-CB 3.68Å; L115-D159 HydrophobicContact CD2-CB 3.82Å; L115-D159 HydrophobicContact CG-CB 4.42Å; L115-V160 HydrophobicContact CB-CG2 4.13Å; L115-F163 HydrophobicContact CD1-CD2 3.5Å; L115-F163 HydrophobicContact CD1-CE2 4.11Å; L115-F163 HydrophobicContact CD1-CG 4.32Å
116E96.9Very high89.5Confident13 Ų1341.3 Ų41.36%0.06123%0.232CC..Hα-helixtrans-65.5-35.8179.3-71-61.1130.200111.8V64 L67 Q68 R71 D112 K119 C120V64-E116 HydrophobicContact CG1-CG 4.25Å; L67-E116 HydrophobicContact CB-CB 3.79Å; L67-E116 HydrophobicContact CD1-CB 4.38Å; Q68-E116 HydrophobicContact CG-CG 4.02Å; Q68-E116 WeakPolarHBondContact CG-OE2 3.42Å; R71-E116 VanDerWaalsContact CD-OE2 3.27Å; R71-E116 WeakPolarHBondContact CD-OE2 3.18Å; R71-E116 IonicContact CZ-OE2 2.89Å; R71-E116 IonicContact NE-OE1 3.24Å; R71-E116 IonicContact NE-OE2 3.77Å; R71-E116 PolarHBondContact NE-OE2 3.46Å; R71-E116 IonicContact NH2-OE2 3.13Å; D112-E116 WeakPolarHBondContact O-CG 3.44Å; D112-E116 PolarHBondContact O-N 3.27Å; E116-K119 PolarHBondContact O-N 3.37Å; E116-K119 IonicContact OE1-NZ 3.9Å; E116-K119 PolarHBondContact OE1-NZ 3.42Å; E116-C120 PolarHBondContact O-N 3.4Å; E116-C120 PolarHBondContact O-SG 3.29Å
117S97.1Very high91.5Very high0 Ų039.4 Ų39.40%022%0.221CC..Hα-helixtrans-67.3-41.2176.9-58.70000112.3L67 Y95 V113 V114 L115 K119 C120 L121L67-S117 WeakPolarHBondContact CD1-OG 3.29Å; Y95-S117 WeakPolarHBondContact CB-OG 3.44Å; V113-S117 VanDerWaalsContact O-CB 3.28Å; V113-S117 WeakPolarHBondContact O-CB 3.47Å; V113-S117 PolarHBondContact O-N 3.1Å; V113-S117 PolarHBondContact O-OG 2.96Å; V114-S117 PolarHBondContact O-N 3.15Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 2.77Å; S117-K119 VanDerWaalsContact C-N 3.34Å; S117-K119 PolarHBondContact O-N 2.96Å; S117-C120 WeakPolarHBondContact O-CB 3.37Å; S117-C120 PolarHBondContact O-N 2.67Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.11Å
118L97.9Very high93.5Very high0 Ų031.2 Ų31.20%018%0.177CC..Hα-helixtrans-62.2-40.3173.6-72.6169.5000112.1A96 I98 V114 L115 L121 C122 L144 V160 F163 D164 L167A96-L118 HydrophobicContact CB-CD2 4.1Å; A96-L118 HydrophobicContact CB-CG 4.18Å; I98-L118 HydrophobicContact CD1-CD2 4.25Å; V114-L118 HydrophobicContact CG1-CD1 3.92Å; V114-L118 HydrophobicContact CG1-CG 4.39Å; V114-L118 WeakPolarHBondContact O-CG 3.23Å; V114-L118 PolarHBondContact O-N 3.13Å; L115-L118 PolarHBondContact O-N 3.31Å; L118-L121 PolarHBondContact O-N 2.79Å; L118-C122 WeakPolarHBondContact O-CB 3.47Å; L118-C122 PolarHBondContact O-N 3.18Å; L118-C122 PolarHBondContact O-SG 3.16Å; L118-L144 HydrophobicContact CD2-CD2 4.45Å; L118-V160 HydrophobicContact CD1-CG1 4.04Å; L118-F163 HydrophobicContact CB-CB 3.85Å; L118-F163 HydrophobicContact CD1-CB 4.17Å; L118-D164 VanDerWaalsContact CD1-OD1 3.25Å; L118-D164 WeakPolarHBondContact CD1-OD1 3.42Å; L118-L167 HydrophobicContact CD2-CD2 4.01Å
119K97.3Very high94.9Very high41 Ų4130.9 Ų30.918%0.17817%0.173CC..Hα-helixtrans-62.1-43.7174.6-69.9171.4-169.6166.50111.7R71 L115 E116 S117 C122 N123 F163R71-K119 VanDerWaalsContact CD-CD 3.49Å; R71-K119 HydrophobicContact CG-CB 4.02Å; L115-K119 WeakPolarHBondContact O-CG 3.49Å; L115-K119 PolarHBondContact O-N 2.99Å; L115-K119 VanDerWaalsContact O-N 3.08Å; E116-K119 PolarHBondContact O-N 3.37Å; E116-K119 IonicContact OE1-NZ 3.9Å; E116-K119 PolarHBondContact OE1-NZ 3.42Å; S117-K119 VanDerWaalsContact C-N 3.34Å; S117-K119 PolarHBondContact O-N 2.96Å; K119-C122 PolarHBondContact O-N 2.54Å; K119-N123 PolarHBondContact O-N 3.32Å; K119-N123 VanDerWaalsContact O-N 3.1Å; K119-F163 HydrophobicContact CB-CE1 4.49Å; K119-F163 HydrophobicContact CD-CE2 4.24Å; K119-F163 HydrophobicContact CD-CZ 4.23Å; K119-F163 HydrophobicContact CG-CD1 3.95Å; K119-F163 HydrophobicContact CG-CD2 4.06Å; K119-F163 HydrophobicContact CG-CE1 3.67Å; K119-F163 HydrophobicContact CG-CE2 3.81Å; K119-F163 HydrophobicContact CG-CG 4.15Å; K119-F163 HydrophobicContact CG-CZ 3.61Å
120C96.8Very high95.7Very high0 Ų032.3 Ų32.30%018%0.181CC..Hα-helixtrans-57.9-51.1173.8-68.20000111.1L67 R71 L92 E116 S117 C122 N123 L124L67-C120 PolarHBondContact O-SG 2.92Å; R71-C120 VanDerWaalsContact CA-SG 3.53Å; R71-C120 VanDerWaalsContact CB-SG 3.57Å; R71-C120 PolarHBondContact N-SG 3.42Å; L92-C120 HydrophobicContact CD1-CB 4.14Å; L92-C120 HydrophobicContact CD2-CB 4.09Å; E116-C120 PolarHBondContact O-N 3.4Å; E116-C120 PolarHBondContact O-SG 3.29Å; S117-C120 WeakPolarHBondContact O-CB 3.37Å; S117-C120 PolarHBondContact O-N 2.67Å; C120-C122 VanDerWaalsContact C-N 3.33Å; C120-C122 PolarHBondContact O-N 3.26Å; C120-N123 PolarHBondContact O-N 2.99Å; C120-N123 VanDerWaalsContact O-N 3.16Å; C120-L124 WeakPolarHBondContact O-CG 3.4Å; C120-L124 PolarHBondContact O-N 3.27Å
121L97.5Very high96Very high1 Ų128.1 Ų28.11%0.00516%0.158CC..Hα-helixtrans-60-41.4179.3-71.6171.4000112.2L92 A96 I98 S117 L118 N123 L124 V125 L167L92-L121 HydrophobicContact CB-CD1 4.47Å; L92-L121 HydrophobicContact CB-CD2 3.82Å; L92-L121 HydrophobicContact CB-CG 4.04Å; L92-L121 HydrophobicContact CD1-CD2 4.3Å; A96-L121 HydrophobicContact CB-CD1 4.01Å; I98-L121 HydrophobicContact CD1-CD1 3.82Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.11Å; L118-L121 PolarHBondContact O-N 2.79Å; L121-N123 PolarHBondContact O-N 3.3Å; L121-L124 PolarHBondContact O-N 3.23Å; L121-V125 WeakPolarHBondContact O-CB 3.48Å; L121-V125 VanDerWaalsContact O-CG2 3.28Å; L121-V125 WeakPolarHBondContact O-CG2 3.43Å; L121-V125 PolarHBondContact O-N 3.04Å; L121-L167 HydrophobicContact CB-CD1 4.25Å; L121-L167 HydrophobicContact CB-CD2 4.02Å; L121-L167 HydrophobicContact CD1-CD2 4.17Å
122C97.8Very high96.2Very high6 Ų626.5 Ų26.54%0.04115%0.15CC..Hα-helixtrans-58.8-45.4175-730000112.1L118 K119 C120 L126 L170L118-C122 WeakPolarHBondContact O-CB 3.47Å; L118-C122 PolarHBondContact O-N 3.18Å; L118-C122 PolarHBondContact O-SG 3.16Å; K119-C122 PolarHBondContact O-N 2.54Å; C120-C122 VanDerWaalsContact C-N 3.33Å; C120-C122 PolarHBondContact O-N 3.26Å; C122-L126 WeakPolarHBondContact O-CB 3.42Å; C122-L126 PolarHBondContact O-N 3.27Å; C122-L170 HydrophobicContact CB-CD1 3.96Å; C122-L170 WeakPolarHBondContact O-CD1 3.5Å
123N96Very high96.3Very high39 Ų3925.3 Ų25.321%0.20914%0.142CC..Hα-helixtrans-64.3-44.8179.1-71.4-11.9000111.9R71 S74 K119 C120 L121 S127R71-N123 PolarHBondContact O-ND2 3.24Å; S74-N123 VanDerWaalsContact OG-CB 3.29Å; S74-N123 WeakPolarHBondContact OG-CB 3.29Å; S74-N123 PolarHBondContact OG-ND2 3.02Å; K119-N123 PolarHBondContact O-N 3.32Å; K119-N123 VanDerWaalsContact O-N 3.1Å; C120-N123 PolarHBondContact O-N 2.99Å; C120-N123 VanDerWaalsContact O-N 3.16Å; L121-N123 PolarHBondContact O-N 3.3Å; N123-S127 WeakPolarHBondContact O-CB 3.49Å; N123-S127 PolarHBondContact O-N 3.26Å; N123-S127 PolarHBondContact O-OG 2.94Å
124L96.2Very high96.3Very high1 Ų125.8 Ų25.81%0.00515%0.145CC..Hα-helixtrans-64.3-49.9179.6-65.6177.4000111.5L80 F83 L89 L92 C120 L121 L126 S127 S128 A131L80-L124 HydrophobicContact CD2-CD2 3.77Å; F83-L124 HydrophobicContact CB-CD1 4.21Å; F83-L124 HydrophobicContact CB-CD2 3.71Å; L89-L124 HydrophobicContact CD1-CD1 4.37Å; L92-L124 HydrophobicContact CD1-CD1 3.6Å; C120-L124 WeakPolarHBondContact O-CG 3.4Å; C120-L124 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 3.23Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3.21Å; L124-S127 PolarHBondContact O-N 3.07Å; L124-S128 WeakPolarHBondContact O-CB 3.48Å; L124-S128 PolarHBondContact O-N 2.99Å; L124-A131 HydrophobicContact CB-CB 4.11Å
125V96.6Very high96.3Very high1 Ų125.7 Ų25.71%0.00614%0.144CC..Hα-helixtrans-64.7-38.8-179.9172.30000111.3L121 S127 Q132 A135 L167 L170 L171 L174L121-V125 WeakPolarHBondContact O-CB 3.48Å; L121-V125 VanDerWaalsContact O-CG2 3.28Å; L121-V125 WeakPolarHBondContact O-CG2 3.43Å; L121-V125 PolarHBondContact O-N 3.04Å; V125-S127 VanDerWaalsContact C-N 3.3Å; V125-S127 PolarHBondContact O-N 3.37Å; V125-Q132 HydrophobicContact CG1-CG 4.02Å; V125-Q132 WeakPolarHBondContact O-CG 3.24Å; V125-Q132 PolarHBondContact O-NE2 2.96Å; V125-A135 HydrophobicContact CG2-CB 4.27Å; V125-L167 HydrophobicContact CB-CD1 4.34Å; V125-L167 HydrophobicContact CG2-CD1 4.06Å; V125-L170 HydrophobicContact CG1-CB 3.99Å; V125-L171 HydrophobicContact CG1-CD2 3.87Å; V125-L171 HydrophobicContact CG1-CG 4.41Å; V125-L171 HydrophobicContact CG2-CD2 4.23Å; V125-L174 HydrophobicContact CG1-CD1 4.18Å; V125-L174 WeakPolarHBondContact O-CD1 3.47Å
126L95.9Very high96.2Very high90 Ų9025.4 Ų25.447%0.47114%0.144SC..Hα-helixtrans-62.5-37.7178176.362.4000112.4C122 L124 L170C122-L126 WeakPolarHBondContact O-CB 3.42Å; C122-L126 PolarHBondContact O-N 3.27Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 3.21Å; L126-L170 HydrophobicContact CB-CD1 4.21Å; L126-L170 HydrophobicContact CB-CD2 4.26Å; L126-L170 HydrophobicContact CD1-CD2 3.76Å
127S93.8Very high96.1Very high42 Ų4229.7 Ų29.729%0.29416%0.164SC..Hα-helixtrans-109.1-19-166.2-53.60000114.7L80 N123 L124 V125L80-S127 VanDerWaalsContact CD1-CB 3.41Å; N123-S127 WeakPolarHBondContact O-CB 3.49Å; N123-S127 PolarHBondContact O-N 3.26Å; N123-S127 PolarHBondContact O-OG 2.94Å; L124-S127 PolarHBondContact O-N 3.07Å; V125-S127 VanDerWaalsContact C-N 3.3Å; V125-S127 PolarHBondContact O-N 3.37Å
128S95.3Very high96Very high8 Ų832.1 Ų32.16%0.05618%0.184CC..  trans-119117.1-177.7176.40000112.7T84 L124 V130 A131 Q132T84-S128 VanDerWaalsContact CG2-OG 3.28Å; T84-S128 WeakPolarHBondContact CG2-OG 3.3Å; L124-S128 WeakPolarHBondContact O-CB 3.48Å; L124-S128 PolarHBondContact O-N 2.99Å; S128-V130 PolarHBondContact O-N 3.38Å; S128-V130 PolarHBondContact OG-N 2.95Å; S128-A131 PolarHBondContact O-N 2.99Å; S128-A131 PolarHBondContact OG-N 3.38Å; S128-Q132 WeakPolarHBondContact O-CG 3.21Å; S128-Q132 PolarHBondContact O-N 2.91Å; S128-Q132 VanDerWaalsContact O-N 3.13Å
129P95.1Very high95.8Very high93 Ų9338.1 Ų38.160%0.60421%0.207SC*.Hα-helixtrans-60.2-30.5171.8-24.234.7000113.7Q132 M133P129-Q132 WeakPolarHBondContact O-CB 3.47Å; P129-Q132 PolarHBondContact O-N 3.2Å; P129-M133 PolarHBondContact O-N 3.49Å; P129-M133 VanDerWaalsContact O-N 3.12Å
130V95.7Very high95.7Very high68 Ų6836.4 Ų36.441%0.41220%0.199SC..Hα-helixtrans-67.5-44.2177-179.20000110.1S128 Q132 M133 L134S128-V130 PolarHBondContact O-N 3.38Å; S128-V130 PolarHBondContact OG-N 2.95Å; V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 3.14Å; V130-M133 PolarHBondContact O-N 3.35Å; V130-L134 HydrophobicContact CG1-CD1 3.98Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CG 3.23Å; V130-L134 PolarHBondContact O-N 2.96Å
131A95.9Very high95.6Very high0 Ų036.5 Ų36.50%020%0.2CC..Hα-helixtrans-62-38174.900000112.3T84 L89 L124 S128 L134 A135T84-A131 HydrophobicContact CG2-CB 4.29Å; L89-A131 HydrophobicContact CD1-CB 4.42Å; L89-A131 HydrophobicContact CD2-CB 4.09Å; L124-A131 HydrophobicContact CB-CB 4.11Å; S128-A131 PolarHBondContact O-N 2.99Å; S128-A131 PolarHBondContact OG-N 3.38Å; A131-L134 PolarHBondContact O-N 2.65Å; A131-A135 WeakPolarHBondContact O-CB 3.42Å; A131-A135 PolarHBondContact O-N 2.95Å
132Q96.6Very high95.5Very high25 Ų2537.9 Ų37.912%0.11721%0.208CC..Hα-helixtrans-61-44.7175.9-64.6158.820.100111.9V125 S128 P129 V130 A136 L174 R175V125-Q132 HydrophobicContact CG1-CG 4.02Å; V125-Q132 WeakPolarHBondContact O-CG 3.24Å; V125-Q132 PolarHBondContact O-NE2 2.96Å; S128-Q132 WeakPolarHBondContact O-CG 3.21Å; S128-Q132 PolarHBondContact O-N 2.91Å; S128-Q132 VanDerWaalsContact O-N 3.13Å; P129-Q132 WeakPolarHBondContact O-CB 3.47Å; P129-Q132 PolarHBondContact O-N 3.2Å; V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 3.14Å; Q132-A136 PolarHBondContact O-N 3.01Å; Q132-L174 HydrophobicContact CG-CB 4.27Å; Q132-L174 HydrophobicContact CG-CD1 4.16Å; Q132-R175 HydrophobicContact CB-CG 4.08Å
133M96.5Very high95.3Very high73 Ų7341 Ų4136%0.3622%0.221SC..Hα-helixtrans-65.3-48.9177.5175.6-113.2-67.700111.4P129 V130 A135 A136 E137P129-M133 PolarHBondContact O-N 3.49Å; P129-M133 VanDerWaalsContact O-N 3.12Å; V130-M133 PolarHBondContact O-N 3.35Å; M133-A135 VanDerWaalsContact C-N 3.35Å; M133-A135 PolarHBondContact O-N 3.36Å; M133-A136 WeakPolarHBondContact O-CB 3.23Å; M133-A136 PolarHBondContact O-N 3.44Å; M133-E137 WeakPolarHBondContact O-CG 3.45Å; M133-E137 PolarHBondContact O-N 2.89Å
134L95.6Very high95.3Very high21 Ų2139.2 Ų39.211%0.1121%0.212CC..Hα-helixtrans-63.8-37.7179.2-71.3175.2000112.8T84 R86 L89 V130 A131 A136 E137 A138T84-L134 WeakPolarHBondContact O-CD1 3.46Å; R86-L134 HydrophobicContact CB-CD2 4.13Å; R86-L134 HydrophobicContact CG-CD2 4.47Å; L89-L134 HydrophobicContact CD2-CB 3.75Å; V130-L134 HydrophobicContact CG1-CD1 3.98Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CG 3.23Å; V130-L134 PolarHBondContact O-N 2.96Å; A131-L134 PolarHBondContact O-N 2.65Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.39Å; L134-E137 PolarHBondContact O-N 2.86Å; L134-A138 VanDerWaalsContact O-CB 3.31Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 3.39Å
135A95.8Very high95.3Very high1 Ų139.8 Ų39.81%0.00822%0.215CC..Hα-helixtrans-65.1-35.7175.100000112.4L89 V125 A131 M133 R139 L140 L171L89-A135 HydrophobicContact CD2-CB 4.45Å; V125-A135 HydrophobicContact CG2-CB 4.27Å; A131-A135 WeakPolarHBondContact O-CB 3.42Å; A131-A135 PolarHBondContact O-N 2.95Å; M133-A135 VanDerWaalsContact C-N 3.35Å; M133-A135 PolarHBondContact O-N 3.36Å; A135-R139 PolarHBondContact O-N 3.41Å; A135-L140 HydrophobicContact CB-CD1 3.87Å; A135-L140 HydrophobicContact CB-CG 4.45Å; A135-L140 PolarHBondContact O-N 2.94Å; A135-L171 HydrophobicContact CB-CD2 3.72Å
136A94.9Very high95.2Very high11 Ų1144.2 Ų44.29%0.09124%0.236CC..Hα-helixtrans-68-46.2173.400000111.5Q132 M133 L134 A138 R139 V178Q132-A136 PolarHBondContact O-N 3.01Å; M133-A136 WeakPolarHBondContact O-CB 3.23Å; M133-A136 PolarHBondContact O-N 3.44Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.39Å; A136-A138 VanDerWaalsContact C-N 3.29Å; A136-A138 PolarHBondContact O-N 3.06Å; A136-R139 PolarHBondContact O-N 3.41Å; A136-V178 HydrophobicContact CB-CG2 3.57Å
137E94.7Very high95.1Very high102 Ų10240.8 Ų40.848%0.47722%0.217SC..Hα-helixtrans-59.6-39175.7-71.3-177.2173.300112.5R86 M133 L134 R139R86-E137 IonicContact CZ-OE2 3.53Å; R86-E137 IonicContact NE-OE2 2.97Å; R86-E137 IonicContact NH2-OE2 2.75Å; R86-E137 PolarHBondContact NH2-OE2 2.9Å; M133-E137 WeakPolarHBondContact O-CG 3.45Å; M133-E137 PolarHBondContact O-N 2.89Å; L134-E137 PolarHBondContact O-N 2.86Å; E137-R139 PolarHBondContact O-N 3.06Å
138A93.4Very high95.2Very high51 Ų5138.9 Ų38.942%0.42120%0.203SC..THydrogen-bonded Turntrans-73.6-3.8176.500000113.7L134 A136 L140L134-A138 VanDerWaalsContact O-CB 3.31Å; L134-A138 WeakPolarHBondContact O-CB 3.31Å; L134-A138 PolarHBondContact O-N 3.39Å; A136-A138 VanDerWaalsContact C-N 3.29Å; A136-A138 PolarHBondContact O-N 3.06Å; A138-L140 HydrophobicContact CB-CD2 3.88Å; A138-L140 HydrophobicContact CB-CG 4.09Å; A138-L140 PolarHBondContact O-N 3.27Å
139R93.8Very high95.1Very high126 Ų12640.2 Ų40.248%0.47522%0.219SC..THydrogen-bonded Turntrans51.338.2-179.3-57.9-17374.8-176.35.9113.7A135 A136 E137 V141 V142 E185A135-R139 PolarHBondContact O-N 3.41Å; A136-R139 PolarHBondContact O-N 3.41Å; E137-R139 PolarHBondContact O-N 3.06Å; R139-V141 PolarHBondContact O-N 3.47Å; R139-V142 HydrophobicContact CB-CG2 4.09Å; R139-V142 WeakPolarHBondContact O-CB 3.47Å; R139-V142 PolarHBondContact O-N 2.54Å; R139-E185 IonicContact NH2-OE2 2.66Å; R139-E185 PolarHBondContact NH2-OE2 3.03Å
140L95.2Very high95Very high5 Ų538.1 Ų38.13%0.02620%0.202CC..Hα-helixtrans-57-28.8-179.1-58.2-172.5000112.8A93 I98 A135 A138 V142 K143 L144A93-L140 HydrophobicContact CB-CD1 4.41Å; A93-L140 HydrophobicContact CB-CD2 3.59Å; I98-L140 HydrophobicContact CD1-CD1 4.47Å; I98-L140 WeakPolarHBondContact O-CD2 3.39Å; A135-L140 HydrophobicContact CB-CD1 3.87Å; A135-L140 HydrophobicContact CB-CG 4.45Å; A135-L140 PolarHBondContact O-N 2.94Å; A138-L140 HydrophobicContact CB-CD2 3.88Å; A138-L140 HydrophobicContact CB-CG 4.09Å; A138-L140 PolarHBondContact O-N 3.27Å; L140-V142 PolarHBondContact O-N 3.47Å; L140-K143 PolarHBondContact O-N 3.2Å; L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 2.83Å
141V96Very high94.9Very high3 Ų335.8 Ų35.82%0.01819%0.186CC..Hα-helixtrans-56.2-33.9176.767.20000112.9R139 T145 L168 V178 Q181 L182 L186R139-V141 PolarHBondContact O-N 3.47Å; V141-T145 VanDerWaalsContact O-CB 3.23Å; V141-T145 WeakPolarHBondContact O-CB 3.28Å; V141-T145 PolarHBondContact O-N 3.36Å; V141-T145 PolarHBondContact O-OG1 2.91Å; V141-L168 HydrophobicContact CG2-CD1 3.78Å; V141-V178 HydrophobicContact CB-CG1 3.73Å; V141-V178 HydrophobicContact CG1-CG1 4.03Å; V141-V178 HydrophobicContact CG2-CG1 3.75Å; V141-Q181 HydrophobicContact CG1-CG 4.23Å; V141-L182 HydrophobicContact CG2-CB 4.23Å; V141-L182 HydrophobicContact CG2-CD1 4.29Å; V141-L186 HydrophobicContact CG1-CD1 4.18Å; V141-L186 HydrophobicContact CG2-CD1 4.06Å
142V95.5Very high94.5Very high29 Ų2943.3 Ų43.318%0.17622%0.215CC..Hα-helixtrans-65.8-51.5-177.8179.50000109.9R139 L140 T145 E146 L186R139-V142 HydrophobicContact CB-CG2 4.09Å; R139-V142 WeakPolarHBondContact O-CB 3.47Å; R139-V142 PolarHBondContact O-N 2.54Å; L140-V142 PolarHBondContact O-N 3.47Å; V142-T145 WeakPolarHBondContact O-CB 3.26Å; V142-T145 PolarHBondContact O-N 2.83Å; V142-E146 WeakPolarHBondContact O-CG 3.32Å; V142-E146 PolarHBondContact O-N 2.93Å; V142-L186 HydrophobicContact CG1-CD2 4.46Å; V142-L186 HydrophobicContact CG2-CD1 4.3Å; V142-L186 HydrophobicContact CG2-CD2 4.37Å
143K93.9Very high94.1Very high72 Ų7249.6 Ų49.631%0.31324%0.244SC..Hα-helixtrans-69.3-35.8179.4-67.9-59.2-176.3-173.30113.4I98 L140 T145 E146 R147I98-K143 HydrophobicContact CB-CB 3.97Å; I98-K143 HydrophobicContact CG2-CB 4.34Å; I98-K143 WeakPolarHBondContact O-CB 3.39Å; L140-K143 PolarHBondContact O-N 3.2Å; K143-T145 VanDerWaalsContact C-N 3.31Å; K143-T145 PolarHBondContact O-N 3.41Å; K143-E146 WeakPolarHBondContact CD-OE2 3.43Å; K143-E146 IonicContact NZ-OE1 3.78Å; K143-E146 IonicContact NZ-OE2 3.74Å; K143-E146 PolarHBondContact NZ-OE2 2.89Å; K143-E146 PolarHBondContact O-N 3.21Å; K143-R147 PolarHBondContact O-N 3.4Å
144L95.5Very high93.7Very high1 Ų153.5 Ų53.51%0.00526%0.255CS..Hα-helixtrans-59.4-44.9171.2-77.3166.5000111.3I98 L118 L140 R147 V148 D164 L167 L171I98-L144 HydrophobicContact CB-CG 4.46Å; I98-L144 HydrophobicContact CD1-CD1 4.35Å; I98-L144 HydrophobicContact CD1-CD2 4.09Å; I98-L144 HydrophobicContact CD1-CG 4.09Å; I98-L144 HydrophobicContact CG2-CD2 3.86Å; I98-L144 HydrophobicContact CG2-CG 4.05Å; L118-L144 HydrophobicContact CD2-CD2 4.45Å; L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 2.83Å; L144-R147 PolarHBondContact O-N 3.38Å; L144-V148 VanDerWaalsContact O-CG2 3.28Å; L144-V148 WeakPolarHBondContact O-CG2 3.5Å; L144-V148 PolarHBondContact O-N 3.41Å; L144-D164 HydrophobicContact CD2-CB 4.25Å; L144-L167 HydrophobicContact CD1-CB 4.39Å; L144-L167 HydrophobicContact CD1-CD2 3.84Å; L144-L167 HydrophobicContact CD1-CG 3.9Å; L144-L167 HydrophobicContact CD2-CD2 4.32Å; L144-L171 HydrophobicContact CD1-CD1 3.89Å
145T95.3Very high93.3Very high13 Ų1358.4 Ų58.48%0.0829%0.291CS..Hα-helixtrans-63.5-45.1178-60.50000111.2V141 V142 K143 R147 V148 G149 L182 L186 L191V141-T145 VanDerWaalsContact O-CB 3.23Å; V141-T145 WeakPolarHBondContact O-CB 3.28Å; V141-T145 PolarHBondContact O-N 3.36Å; V141-T145 PolarHBondContact O-OG1 2.91Å; V142-T145 WeakPolarHBondContact O-CB 3.26Å; V142-T145 PolarHBondContact O-N 2.83Å; K143-T145 VanDerWaalsContact C-N 3.31Å; K143-T145 PolarHBondContact O-N 3.41Å; T145-R147 VanDerWaalsContact C-N 3.35Å; T145-R147 PolarHBondContact O-N 3.36Å; T145-V148 PolarHBondContact O-N 3.26Å; T145-G149 PolarHBondContact O-N 3.43Å; T145-L182 HydrophobicContact CG2-CD1 4.29Å; T145-L182 WeakPolarHBondContact OG1-CD1 3.27Å; T145-L186 HydrophobicContact CG2-CB 4.05Å; T145-L186 HydrophobicContact CG2-CD1 4.27Å; T145-L191 HydrophobicContact CG2-CD2 3.24Å; T145-L191 WeakPolarHBondContact O-CD2 3.39Å
146E94.1Very high93.1Very high95 Ų9559.5 Ų59.544%0.44430%0.295SS..Hα-helixtrans-56.5-47.8173.8-73.3173.5-162.900111.2V142 K143 V148 G149 L150V142-E146 WeakPolarHBondContact O-CG 3.32Å; V142-E146 PolarHBondContact O-N 2.93Å; K143-E146 WeakPolarHBondContact CD-OE2 3.43Å; K143-E146 IonicContact NZ-OE1 3.78Å; K143-E146 IonicContact NZ-OE2 3.74Å; K143-E146 PolarHBondContact NZ-OE2 2.89Å; K143-E146 PolarHBondContact O-N 3.21Å; E146-V148 PolarHBondContact O-N 3.46Å; E146-G149 PolarHBondContact O-N 3.38Å; E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 3.45Å
147R94.4Very high93.2Very high17 Ų1761.8 Ų61.86%0.06431%0.309CS..Hα-helixtrans-64.1-41.4179.3-179.4157.868.7-151.74.7112.8A96 D97 I98 K143 L144 T145 G149 L150 Y151 F156 D164A96-R147 PolarHBondContact O-NH1 3.16Å; A96-R147 PolarHBondContact O-NH2 2.78Å; A96-R147 VanDerWaalsContact O-NH2 3.13Å; D97-R147 PolarHBondContact O-NH1 3.46Å; I98-R147 VanDerWaalsContact CG2-NH2 3.29Å; K143-R147 PolarHBondContact O-N 3.4Å; L144-R147 PolarHBondContact O-N 3.38Å; T145-R147 VanDerWaalsContact C-N 3.35Å; T145-R147 PolarHBondContact O-N 3.36Å; R147-G149 VanDerWaalsContact C-N 3.28Å; R147-G149 PolarHBondContact O-N 2.99Å; R147-L150 PolarHBondContact O-N 3.16Å; R147-L150 VanDerWaalsContact O-N 3.09Å; R147-Y151 HydrophobicContact CG-CE1 4.16Å; R147-Y151 VanDerWaalsContact O-CD1 3.26Å; R147-Y151 WeakPolarHBondContact O-CD1 3.34Å; R147-Y151 WeakPolarHBondContact O-CE1 3.19Å; R147-F156 HydrophobicContact CG-CE1 4.3Å; R147-F156 HydrophobicContact CG-CE2 4.2Å; R147-F156 HydrophobicContact CG-CZ 3.94Å; R147-D164 IonicContact CZ-OD1 3.19Å; R147-D164 IonicContact CZ-OD2 3.52Å; R147-D164 IonicContact NE-OD1 2.71Å; R147-D164 PolarHBondContact NE-OD1 3.07Å; R147-D164 IonicContact NE-OD2 2.9Å; R147-D164 PolarHBondContact NE-OD2 2.73Å; R147-D164 IonicContact NH2-OD1 2.75Å; R147-D164 PolarHBondContact NH2-OD1 2.79Å; R147-D164 IonicContact NH2-OD2 3.35Å
148V95.7Very high93.2Very high2 Ų258.1 Ų58.11%0.01229%0.292CS..Hα-helixtrans-60.5-39.7174.7171.10000110.9L144 T145 E146 L150 Y151 L165 L191 T195L144-V148 VanDerWaalsContact O-CG2 3.28Å; L144-V148 WeakPolarHBondContact O-CG2 3.5Å; L144-V148 PolarHBondContact O-N 3.41Å; T145-V148 PolarHBondContact O-N 3.26Å; E146-V148 PolarHBondContact O-N 3.46Å; V148-L150 PolarHBondContact O-N 3.1Å; V148-Y151 HydrophobicContact CB-CE2 4.37Å; V148-Y151 HydrophobicContact CG1-CD2 4.42Å; V148-Y151 HydrophobicContact CG1-CE2 4.26Å; V148-Y151 HydrophobicContact CG2-CE2 4.11Å; V148-Y151 WeakPolarHBondContact O-CB 3.38Å; V148-Y151 PolarHBondContact O-N 2.89Å; V148-L165 HydrophobicContact CG2-CD2 4.36Å; V148-L191 HydrophobicContact CB-CD2 4.36Å; V148-L191 HydrophobicContact CG1-CD1 4.32Å; V148-L191 HydrophobicContact CG1-CD2 4.19Å; V148-L191 HydrophobicContact CG1-CG 4.19Å; V148-T195 HydrophobicContact CG1-CG2 4.03Å; V148-T195 WeakPolarHBondContact CG1-OG1 3.49Å
149G93.7Very high93.4Very high37 Ų3759.5 Ų59.538%0.38129%0.292SS..Hα-helixtrans-61.4-26.5174.900000114.2T145 E146 R147 L191T145-G149 PolarHBondContact O-N 3.43Å; E146-G149 PolarHBondContact O-N 3.38Å; R147-G149 VanDerWaalsContact C-N 3.28Å; R147-G149 PolarHBondContact O-N 2.99Å; G149-L191 VanDerWaalsContact CA-CD1 3.44Å
150L93.4Very high93.5Very high49 Ų4953.6 Ų53.626%0.25727%0.27SS..G310 helixtrans-84.8-1.5179.4-63.8174.2000113.9E146 R147 V148 R152 E153 R154 F156E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 3.45Å; R147-L150 PolarHBondContact O-N 3.16Å; R147-L150 VanDerWaalsContact O-N 3.09Å; V148-L150 PolarHBondContact O-N 3.1Å; L150-R152 PolarHBondContact O-N 2.67Å; L150-R152 VanDerWaalsContact O-N 3.13Å; L150-E153 WeakPolarHBondContact CD2-OE2 3.4Å; L150-E153 PolarHBondContact O-N 3.4Å; L150-R154 PolarHBondContact O-N 2.84Å; L150-F156 HydrophobicContact CB-CE2 4.24Å
151Y93Very high93.6Very high18 Ų1854.8 Ų54.87%0.07128%0.276CS..G310 helixtrans-60.9-24.5-178.2-72.6-1.6000113.9R147 V148 F156 Q161 D164 T195R147-Y151 HydrophobicContact CG-CE1 4.16Å; R147-Y151 VanDerWaalsContact O-CD1 3.26Å; R147-Y151 WeakPolarHBondContact O-CD1 3.34Å; R147-Y151 WeakPolarHBondContact O-CE1 3.19Å; V148-Y151 HydrophobicContact CB-CE2 4.37Å; V148-Y151 HydrophobicContact CG1-CD2 4.42Å; V148-Y151 HydrophobicContact CG1-CE2 4.26Å; V148-Y151 HydrophobicContact CG2-CE2 4.11Å; V148-Y151 WeakPolarHBondContact O-CB 3.38Å; V148-Y151 PolarHBondContact O-N 2.89Å; Y151-F156 AromaticContact CD1-CD2 3.6Å; Y151-F156 HydrophobicContact CD1-CD2 3.6Å; Y151-F156 HydrophobicContact CD1-CE2 4.05Å; Y151-F156 HydrophobicContact CD1-CG 4.48Å; Y151-F156 AromaticContact CE1-CD2 3.89Å; Y151-F156 HydrophobicContact CE1-CD2 3.89Å; Y151-F156 HydrophobicContact CE1-CE2 4.38Å; Y151-F156 HydrophobicContact CE1-CG 4.41Å; Y151-Q161 HydrophobicContact CD1-CG 4.34Å; Y151-Q161 HydrophobicContact CD2-CG 4.31Å; Y151-Q161 HydrophobicContact CE1-CG 3.91Å; Y151-Q161 HydrophobicContact CE2-CB 3.9Å; Y151-Q161 HydrophobicContact CE2-CG 3.89Å; Y151-Q161 WeakPolarHBondContact OH-CA 3.21Å; Y151-D164 WeakPolarHBondContact OH-CB 3.48Å; Y151-D164 PolarHBondContact OH-OD2 3.38Å; Y151-T195 HydrophobicContact CD2-CG2 4.03Å; Y151-T195 HydrophobicContact CE2-CG2 4.49Å
152R87.3Confident93.7Very high159 Ų15956.5 Ų56.560%0.628%0.283SS*.G310 helixtrans-78-29.7175-171.4175.3-75.8179.1-3.5112.6L150 E197 L198L150-R152 PolarHBondContact O-N 2.67Å; L150-R152 VanDerWaalsContact O-N 3.13Å; R152-E197 IonicContact NH2-OE2 3.6Å; R152-L198 HydrophobicContact CB-CD2 4.44Å
153E88.9Confident93.9Very high156 Ų15657.2 Ų57.273%0.72928%0.284SS*.THydrogen-bonded Turntrans-96.9-32.3-173.7-62.1178.8-169.600112.7L150L150-E153 WeakPolarHBondContact CD2-OE2 3.4Å; L150-E153 PolarHBondContact O-N 3.4Å
154R88Confident94Very high156 Ų15653.8 Ų53.859%0.58927%0.269SS*.SBendtrans-124134.4-175.3-64.3-174.5-178.2-168.5-0.4110.5L150 F156L150-R154 PolarHBondContact O-N 2.84Å; R154-F156 HydrophobicContact CB-CD2 4.23Å; R154-F156 HydrophobicContact CB-CE2 3.62Å; R154-F156 HydrophobicContact CB-CZ 4.04Å; R154-F156 WeakPolarHBondContact O-CD2 3.25Å; R154-F156 PolarHBondContact O-N 3.38Å
155S87.2Confident94.2Very high124 Ų12453.8 Ų53.887%0.86727%0.269SS*.  trans-82.3104.6176.6178.40000110.6
156F92.4Very high94.3Very high24 Ų2456.5 Ų56.511%0.10528%0.278CS..  trans-98.2144.6169.7-63.6-82.4000111.1M111 R147 L150 Y151 R154 Q161M111-F156 HydrophobicContact CE-CD1 4Å; M111-F156 HydrophobicContact CE-CE1 4.19Å; M111-F156 HydrophobicContact SD-CD1 4.31Å; R147-F156 HydrophobicContact CG-CE1 4.3Å; R147-F156 HydrophobicContact CG-CE2 4.2Å; R147-F156 HydrophobicContact CG-CZ 3.94Å; L150-F156 HydrophobicContact CB-CE2 4.24Å; Y151-F156 AromaticContact CD1-CD2 3.6Å; Y151-F156 HydrophobicContact CD1-CD2 3.6Å; Y151-F156 HydrophobicContact CD1-CE2 4.05Å; Y151-F156 HydrophobicContact CD1-CG 4.48Å; Y151-F156 AromaticContact CE1-CD2 3.89Å; Y151-F156 HydrophobicContact CE1-CD2 3.89Å; Y151-F156 HydrophobicContact CE1-CE2 4.38Å; Y151-F156 HydrophobicContact CE1-CG 4.41Å; R154-F156 HydrophobicContact CB-CD2 4.23Å; R154-F156 HydrophobicContact CB-CE2 3.62Å; R154-F156 HydrophobicContact CB-CZ 4.04Å; R154-F156 WeakPolarHBondContact O-CD2 3.25Å; R154-F156 PolarHBondContact O-N 3.38Å; F156-Q161 HydrophobicContact CB-CG 3.85Å; F156-Q161 PolarHBondContact O-NE2 3.14Å
157P95.6Very high94.5Very high59 Ų5952 Ų5238%0.38326%0.256SS..  trans-58.5148.9173.4-22.733.5000112.3M111 D159 V160 Q161M111-P157 HydrophobicContact CB-CG 4.17Å; M111-P157 HydrophobicContact CG-CG 4.1Å; M111-P157 HydrophobicContact SD-CG 4.46Å; P157-D159 VanDerWaalsContact C-N 3.3Å; P157-D159 PolarHBondContact O-N 3.43Å; P157-V160 HydrophobicContact CB-CG2 4.35Å; P157-V160 HydrophobicContact CG-CG2 4.35Å; P157-V160 PolarHBondContact O-N 3.45Å; P157-Q161 PolarHBondContact O-N 3.33Å; P157-Q161 VanDerWaalsContact O-N 3.12Å
158H95.8Very high94.7Very high24 Ų2451.1 Ų51.111%0.11125%0.253CS..Hα-helixtrans-51.8-46.9-179.8167.242.9000113V160 Q161 F162 Q215 E218 R219H158-V160 VanDerWaalsContact C-N 3.32Å; H158-V160 PolarHBondContact O-N 3.43Å; H158-Q161 PolarHBondContact O-N 3.24Å; H158-F162 WeakPolarHBondContact O-CB 3.43Å; H158-F162 PolarHBondContact O-N 2.94Å; H158-Q215 VanDerWaalsContact CD2-CG 3.42Å; H158-Q215 WeakPolarHBondContact CD2-CG 3.47Å; H158-Q215 PolarHBondContact CE1-O 3.38Å; H158-Q215 VanDerWaalsContact CE1-O 3.3Å; H158-Q215 WeakPolarHBondContact NE2-CB 3.42Å; H158-E218 IonicContact NE2-OE2 3.86Å; H158-R219 PolarHBondContact ND1-NH1 3.09Å
159D96.9Very high94.9Very high81 Ų8152.8 Ų52.843%0.43326%0.26SS..Hα-helixtrans-63.7-39.2-175.7-63.2-18.3000111.5L115 P157 F162 F163L115-D159 HydrophobicContact CD1-CB 3.68Å; L115-D159 HydrophobicContact CD2-CB 3.82Å; L115-D159 HydrophobicContact CG-CB 4.42Å; P157-D159 VanDerWaalsContact C-N 3.3Å; P157-D159 PolarHBondContact O-N 3.43Å; D159-F162 PolarHBondContact O-N 3.41Å; D159-F163 VanDerWaalsContact O-CD2 3.25Å; D159-F163 WeakPolarHBondContact O-CD2 3.27Å; D159-F163 PolarHBondContact O-N 3.12Å
160V96.8Very high95.1Very high2 Ų251.3 Ų51.31%0.01224%0.244CC..Hα-helixtrans-63.2-47.8175.6176.80000109.9M111 V114 L115 L118 P157 H158 F162 F163 D164M111-V160 HydrophobicContact SD-CG2 4.39Å; V114-V160 HydrophobicContact CG1-CG1 3.98Å; L115-V160 HydrophobicContact CB-CG2 4.13Å; L118-V160 HydrophobicContact CD1-CG1 4.04Å; P157-V160 HydrophobicContact CB-CG2 4.35Å; P157-V160 HydrophobicContact CG-CG2 4.35Å; P157-V160 PolarHBondContact O-N 3.45Å; H158-V160 VanDerWaalsContact C-N 3.32Å; H158-V160 PolarHBondContact O-N 3.43Å; V160-F162 VanDerWaalsContact C-N 3.3Å; V160-F162 PolarHBondContact O-N 3.43Å; V160-F163 PolarHBondContact O-N 2.8Å; V160-D164 WeakPolarHBondContact O-CB 3.5Å; V160-D164 VanDerWaalsContact O-CG 3.31Å; V160-D164 PolarHBondContact O-N 2.95Å
161Q97.1Very high95.3Very high29 Ų2949 Ų4914%0.13623%0.232CC..Hα-helixtrans-60.5-41.4177.6-61.6-177.51500112.3Y151 F156 P157 H158 L165 R219Y151-Q161 HydrophobicContact CD1-CG 4.34Å; Y151-Q161 HydrophobicContact CD2-CG 4.31Å; Y151-Q161 HydrophobicContact CE1-CG 3.91Å; Y151-Q161 HydrophobicContact CE2-CB 3.9Å; Y151-Q161 HydrophobicContact CE2-CG 3.89Å; Y151-Q161 WeakPolarHBondContact OH-CA 3.21Å; F156-Q161 HydrophobicContact CB-CG 3.85Å; F156-Q161 PolarHBondContact O-NE2 3.14Å; P157-Q161 PolarHBondContact O-N 3.33Å; P157-Q161 VanDerWaalsContact O-N 3.12Å; H158-Q161 PolarHBondContact O-N 3.24Å; Q161-L165 WeakPolarHBondContact O-CD1 3.32Å; Q161-L165 VanDerWaalsContact O-CG 3.27Å; Q161-L165 WeakPolarHBondContact O-CG 3.35Å; Q161-L165 PolarHBondContact O-N 3.46Å; Q161-L165 VanDerWaalsContact O-N 3.13Å; Q161-R219 VanDerWaalsContact OE1-CD 3.26Å
162F98.1Very high95.5Very high39 Ų3948.2 Ų48.217%0.17123%0.228CC..Hα-helixtrans-63.6-46.8177.7174.5-98.3000111.4H158 D159 V160 L165 R166 E218 E222H158-F162 WeakPolarHBondContact O-CB 3.43Å; H158-F162 PolarHBondContact O-N 2.94Å; D159-F162 PolarHBondContact O-N 3.41Å; V160-F162 VanDerWaalsContact C-N 3.3Å; V160-F162 PolarHBondContact O-N 3.43Å; F162-L165 PolarHBondContact O-N 2.97Å; F162-R166 VanDerWaalsContact O-CB 3.25Å; F162-R166 WeakPolarHBondContact O-CB 3.27Å; F162-R166 PolarHBondContact O-N 3.13Å; F162-E218 HydrophobicContact CD2-CB 4.04Å; F162-E218 HydrophobicContact CE2-CB 4.11Å; F162-E222 HydrophobicContact CD2-CG 3.87Å; F162-E222 HydrophobicContact CE2-CG 3.51Å; F162-E222 HydrophobicContact CZ-CG 4.31Å
163F98.3Very high95.9Very high45 Ų4542.2 Ų42.220%0.19721%0.213CC..Hα-helixtrans-72.8-26.9-179.2-82-74.2000113.5L115 L118 K119 D159 V160 L167L115-F163 HydrophobicContact CD1-CD2 3.5Å; L115-F163 HydrophobicContact CD1-CE2 4.11Å; L115-F163 HydrophobicContact CD1-CG 4.32Å; L118-F163 HydrophobicContact CB-CB 3.85Å; L118-F163 HydrophobicContact CD1-CB 4.17Å; K119-F163 HydrophobicContact CB-CE1 4.49Å; K119-F163 HydrophobicContact CD-CE2 4.24Å; K119-F163 HydrophobicContact CD-CZ 4.23Å; K119-F163 HydrophobicContact CG-CD1 3.95Å; K119-F163 HydrophobicContact CG-CD2 4.06Å; K119-F163 HydrophobicContact CG-CE1 3.67Å; K119-F163 HydrophobicContact CG-CE2 3.81Å; K119-F163 HydrophobicContact CG-CG 4.15Å; K119-F163 HydrophobicContact CG-CZ 3.61Å; D159-F163 VanDerWaalsContact O-CD2 3.25Å; D159-F163 WeakPolarHBondContact O-CD2 3.27Å; D159-F163 PolarHBondContact O-N 3.12Å; V160-F163 PolarHBondContact O-N 2.8Å; F163-L167 VanDerWaalsContact O-CB 3.32Å; F163-L167 WeakPolarHBondContact O-CB 3.47Å; F163-L167 PolarHBondContact O-N 2.83Å
164D97.8Very high96.3Very high0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-59.9-54.3167.1-78.8-17.6000111.3L118 L144 R147 Y151 V160 R166 L167 L168L118-D164 VanDerWaalsContact CD1-OD1 3.25Å; L118-D164 WeakPolarHBondContact CD1-OD1 3.42Å; L144-D164 HydrophobicContact CD2-CB 4.25Å; R147-D164 IonicContact CZ-OD1 3.19Å; R147-D164 IonicContact CZ-OD2 3.52Å; R147-D164 IonicContact NE-OD1 2.71Å; R147-D164 PolarHBondContact NE-OD1 3.07Å; R147-D164 IonicContact NE-OD2 2.9Å; R147-D164 PolarHBondContact NE-OD2 2.73Å; R147-D164 IonicContact NH2-OD1 2.75Å; R147-D164 PolarHBondContact NH2-OD1 2.79Å; R147-D164 IonicContact NH2-OD2 3.35Å; Y151-D164 WeakPolarHBondContact OH-CB 3.48Å; Y151-D164 PolarHBondContact OH-OD2 3.38Å; V160-D164 WeakPolarHBondContact O-CB 3.5Å; V160-D164 VanDerWaalsContact O-CG 3.31Å; V160-D164 PolarHBondContact O-N 2.95Å; D164-R166 VanDerWaalsContact C-N 3.29Å; D164-R166 PolarHBondContact O-N 3.49Å; D164-L167 PolarHBondContact O-N 3.5Å; D164-L168 WeakPolarHBondContact O-CB 3.38Å; D164-L168 PolarHBondContact O-N 3.35Å
165L98.4Very high96.7Very high1 Ų134 Ų341%0.00518%0.18CC..Hα-helixtrans-63.5-37.2179.3-67.2167000111.4V148 Q161 F162 L168 F169 L192 R219 E222 I223V148-L165 HydrophobicContact CG2-CD2 4.36Å; Q161-L165 WeakPolarHBondContact O-CD1 3.32Å; Q161-L165 VanDerWaalsContact O-CG 3.27Å; Q161-L165 WeakPolarHBondContact O-CG 3.35Å; Q161-L165 PolarHBondContact O-N 3.46Å; Q161-L165 VanDerWaalsContact O-N 3.13Å; F162-L165 PolarHBondContact O-N 2.97Å; L165-L168 PolarHBondContact O-N 2.97Å; L165-F169 WeakPolarHBondContact O-CB 3.29Å; L165-F169 PolarHBondContact O-N 2.88Å; L165-L192 HydrophobicContact CD2-CD2 4.32Å; L165-R219 HydrophobicContact CD1-CB 4.08Å; L165-R219 HydrophobicContact CD1-CG 4.42Å; L165-E222 HydrophobicContact CB-CB 3.67Å; L165-E222 HydrophobicContact CB-CG 4.45Å; L165-E222 HydrophobicContact CD1-CB 4.47Å; L165-I223 HydrophobicContact CD1-CD1 4.15Å; L165-I223 HydrophobicContact CD1-CG1 3.75Å; L165-I223 HydrophobicContact CD2-CG1 3.7Å; L165-I223 HydrophobicContact CG-CG1 4.35Å
166R98.4Very high97Very high69 Ų6932.6 Ų32.626%0.2617%0.167SC..Hα-helixtrans-64.5-44.4175.8-176.958.9171166.4-0.8111.8F162 D164 L168 F169 L170 E222F162-R166 VanDerWaalsContact O-CB 3.25Å; F162-R166 WeakPolarHBondContact O-CB 3.27Å; F162-R166 PolarHBondContact O-N 3.13Å; D164-R166 VanDerWaalsContact C-N 3.29Å; D164-R166 PolarHBondContact O-N 3.49Å; R166-L168 VanDerWaalsContact C-N 3.35Å; R166-F169 VanDerWaalsContact NH1-CE1 3.26Å; R166-F169 WeakPolarHBondContact O-CB 3.45Å; R166-F169 PolarHBondContact O-N 3.04Å; R166-L170 WeakPolarHBondContact O-CG 3.46Å; R166-L170 PolarHBondContact O-N 3.43Å; R166-E222 IonicContact NH1-OE1 3.81Å; R166-E222 IonicContact NH1-OE2 3.64Å
167L98.3Very high97.1Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-65.2-41.9176.2-176.555.8000110.7I98 L118 L121 V125 L144 F163 D164 F169 L170 L171I98-L167 HydrophobicContact CD1-CD2 3.84Å; L118-L167 HydrophobicContact CD2-CD2 4.01Å; L121-L167 HydrophobicContact CB-CD1 4.25Å; L121-L167 HydrophobicContact CB-CD2 4.02Å; L121-L167 HydrophobicContact CD1-CD2 4.17Å; V125-L167 HydrophobicContact CB-CD1 4.34Å; V125-L167 HydrophobicContact CG2-CD1 4.06Å; L144-L167 HydrophobicContact CD1-CB 4.39Å; L144-L167 HydrophobicContact CD1-CD2 3.84Å; L144-L167 HydrophobicContact CD1-CG 3.9Å; L144-L167 HydrophobicContact CD2-CD2 4.32Å; F163-L167 VanDerWaalsContact O-CB 3.32Å; F163-L167 WeakPolarHBondContact O-CB 3.47Å; F163-L167 PolarHBondContact O-N 2.83Å; D164-L167 PolarHBondContact O-N 3.5Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F169 PolarHBondContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 3.48Å; L167-L171 HydrophobicContact CD1-CD1 4.35Å; L167-L171 HydrophobicContact CD1-CG 4.27Å; L167-L171 HydrophobicContact CG-CD1 4.11Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 2.66Å
168L98.1Very high97.2Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-60-41.6174.5-166.764.2000111.7V141 D164 L165 R166 T172 L182 L192 V226V141-L168 HydrophobicContact CG2-CD1 3.78Å; D164-L168 WeakPolarHBondContact O-CB 3.38Å; D164-L168 PolarHBondContact O-N 3.35Å; L165-L168 PolarHBondContact O-N 2.97Å; R166-L168 VanDerWaalsContact C-N 3.35Å; L168-T172 WeakPolarHBondContact O-CB 3.4Å; L168-T172 VanDerWaalsContact O-CG2 3.23Å; L168-T172 WeakPolarHBondContact O-CG2 3.48Å; L168-T172 PolarHBondContact O-N 2.98Å; L168-T172 PolarHBondContact O-OG1 3.24Å; L168-L182 HydrophobicContact CD1-CD2 3.85Å; L168-L182 HydrophobicContact CD2-CD2 4.2Å; L168-L182 HydrophobicContact CG-CD2 4.05Å; L168-L192 HydrophobicContact CD2-CD2 4.22Å; L168-V226 HydrophobicContact CB-CG2 4.27Å; L168-V226 HydrophobicContact CD2-CG1 3.94Å; L168-V226 HydrophobicContact CD2-CG2 4.37Å; L168-V226 HydrophobicContact CG-CG1 3.94Å; L168-V226 HydrophobicContact CG-CG2 4.27Å
169F98.6Very high97.2Very high37 Ų3732.3 Ų32.316%0.16216%0.161CC..Hα-helixtrans-60.9-48.3173.8166.1-103.7000111.6L165 R166 L167 T172 A173 K225 V226 N229L165-F169 WeakPolarHBondContact O-CB 3.29Å; L165-F169 PolarHBondContact O-N 2.88Å; R166-F169 VanDerWaalsContact NH1-CE1 3.26Å; R166-F169 WeakPolarHBondContact O-CB 3.45Å; R166-F169 PolarHBondContact O-N 3.04Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F169 PolarHBondContact O-N 3.12Å; F169-T172 PolarHBondContact O-N 3.17Å; F169-T172 PolarHBondContact O-OG1 3.01Å; F169-T172 VanDerWaalsContact O-OG1 3.07Å; F169-A173 HydrophobicContact CE2-CB 4.32Å; F169-A173 HydrophobicContact CZ-CB 4.36Å; F169-A173 WeakPolarHBondContact O-CB 3.19Å; F169-A173 PolarHBondContact O-N 3.14Å; F169-K225 HydrophobicContact CD2-CB 3.51Å; F169-K225 HydrophobicContact CD2-CD 4.5Å; F169-K225 HydrophobicContact CE2-CB 3.72Å; F169-K225 HydrophobicContact CE2-CD 4.24Å; F169-K225 HydrophobicContact CE2-CG 4.34Å; F169-K225 HydrophobicContact CG-CB 4.31Å; F169-K225 HydrophobicContact CZ-CD 4.43Å; F169-V226 HydrophobicContact CB-CG2 3.78Å; F169-N229 VanDerWaalsContact CD2-ND2 3.29Å; F169-N229 WeakPolarHBondContact CD2-ND2 3.47Å; F169-N229 WeakPolarHBondContact CE2-ND2 3.24Å; F169-N229 PolarHBondContact O-ND2 3.23Å
170L98.4Very high97.1Very high6 Ų633.9 Ų33.93%0.03117%0.166CC..Hα-helixtrans-62.5-46.9-179.8-69.2172.8000111.7C122 V125 L126 R166 L167 A173 L174C122-L170 HydrophobicContact CB-CD1 3.96Å; C122-L170 WeakPolarHBondContact O-CD1 3.5Å; V125-L170 HydrophobicContact CG1-CB 3.99Å; L126-L170 HydrophobicContact CB-CD1 4.21Å; L126-L170 HydrophobicContact CB-CD2 4.26Å; L126-L170 HydrophobicContact CD1-CD2 3.76Å; R166-L170 WeakPolarHBondContact O-CG 3.46Å; R166-L170 PolarHBondContact O-N 3.43Å; L167-L170 PolarHBondContact O-N 3.48Å; L170-A173 PolarHBondContact O-N 3.01Å; L170-L174 HydrophobicContact CB-CD1 4.41Å; L170-L174 VanDerWaalsContact O-CB 3.3Å; L170-L174 WeakPolarHBondContact O-CB 3.48Å; L170-L174 WeakPolarHBondContact O-CD1 3.34Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.25Å; L170-L174 PolarHBondContact O-N 3.23Å
171L97.7Very high97Very high1 Ų134.9 Ų34.91%0.00517%0.171CC..Hα-helixtrans-60.8-48178.7-69.6172000111.1V125 A135 L144 L167 A173 L174 R175 V178V125-L171 HydrophobicContact CG1-CD2 3.87Å; V125-L171 HydrophobicContact CG1-CG 4.41Å; V125-L171 HydrophobicContact CG2-CD2 4.23Å; A135-L171 HydrophobicContact CB-CD2 3.72Å; L144-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD1 4.35Å; L167-L171 HydrophobicContact CD1-CG 4.27Å; L167-L171 HydrophobicContact CG-CD1 4.11Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.26Å; L167-L171 PolarHBondContact O-N 2.66Å; L171-A173 PolarHBondContact O-N 2.82Å; L171-L174 PolarHBondContact O-N 3.43Å; L171-R175 VanDerWaalsContact O-CB 3.32Å; L171-R175 WeakPolarHBondContact O-CB 3.45Å; L171-R175 PolarHBondContact O-N 2.88Å; L171-V178 HydrophobicContact CB-CG1 4.03Å
172T97.1Very high97Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-70.3-30.3-179.956.10000113.3L168 F169 R179 L182 V226 N229 I230L168-T172 WeakPolarHBondContact O-CB 3.4Å; L168-T172 VanDerWaalsContact O-CG2 3.23Å; L168-T172 WeakPolarHBondContact O-CG2 3.48Å; L168-T172 PolarHBondContact O-N 2.98Å; L168-T172 PolarHBondContact O-OG1 3.24Å; F169-T172 PolarHBondContact O-N 3.17Å; F169-T172 PolarHBondContact O-OG1 3.01Å; F169-T172 VanDerWaalsContact O-OG1 3.07Å; T172-R179 PolarHBondContact O-NE 2.8Å; T172-R179 PolarHBondContact O-NH2 3.43Å; T172-L182 HydrophobicContact CG2-CB 4.47Å; T172-L182 HydrophobicContact CG2-CD2 3.53Å; T172-V226 HydrophobicContact CG2-CG1 4.31Å; T172-N229 PolarHBondContact OG1-ND2 3.2Å; T172-N229 VanDerWaalsContact OG1-ND2 3.15Å; T172-I230 HydrophobicContact CG2-CG2 4.05Å
173A96.5Very high96.8Very high33 Ų3333.4 Ų33.427%0.27316%0.164SC..Hα-helixtrans-70.1-43.8175.800000111.6F169 L170 L171 R179 N229F169-A173 HydrophobicContact CE2-CB 4.32Å; F169-A173 HydrophobicContact CZ-CB 4.36Å; F169-A173 WeakPolarHBondContact O-CB 3.19Å; F169-A173 PolarHBondContact O-N 3.14Å; L170-A173 PolarHBondContact O-N 3.01Å; L171-A173 PolarHBondContact O-N 2.82Å; A173-R179 PolarHBondContact O-NH2 3.48Å; A173-N229 WeakPolarHBondContact CB-ND2 3.48Å; A173-N229 PolarHBondContact N-ND2 3.26Å
174L96.8Very high96.5Very high70 Ų7038 Ų3837%0.36619%0.185SC..Hα-helixtrans-93.7-21.8-168.8-61.7165.2000113.5V125 Q132 L170 L171V125-L174 HydrophobicContact CG1-CD1 4.18Å; V125-L174 WeakPolarHBondContact O-CD1 3.47Å; Q132-L174 HydrophobicContact CG-CB 4.27Å; Q132-L174 HydrophobicContact CG-CD1 4.16Å; L170-L174 HydrophobicContact CB-CD1 4.41Å; L170-L174 VanDerWaalsContact O-CB 3.3Å; L170-L174 WeakPolarHBondContact O-CB 3.48Å; L170-L174 WeakPolarHBondContact O-CD1 3.34Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.25Å; L170-L174 PolarHBondContact O-N 3.23Å; L171-L174 PolarHBondContact O-N 3.43Å
175R95.9Very high96.4Very high69 Ų6943.7 Ų43.726%0.2621%0.212SC..  trans-124116.2-176.3-71.3-58.7-57.5-160.9-7.5111.9Q132 L171 D177 V178 R179Q132-R175 HydrophobicContact CB-CG 4.08Å; L171-R175 VanDerWaalsContact O-CB 3.32Å; L171-R175 WeakPolarHBondContact O-CB 3.45Å; L171-R175 PolarHBondContact O-N 2.88Å; R175-D177 VanDerWaalsContact CB-OD1 3.31Å; R175-D177 WeakPolarHBondContact CB-OD1 3.47Å; R175-D177 IonicContact CZ-OD1 2.93Å; R175-D177 IonicContact CZ-OD2 2.91Å; R175-D177 IonicContact NE-OD1 3.68Å; R175-D177 PolarHBondContact NE-OD1 3.26Å; R175-D177 IonicContact NE-OD2 2.87Å; R175-D177 IonicContact NH2-OD1 3.88Å; R175-D177 PolarHBondContact NH2-OD1 3.29Å; R175-D177 IonicContact NH2-OD2 2.69Å; R175-D177 PolarHBondContact NH2-OD2 2.93Å; R175-V178 HydrophobicContact CB-CB 3.92Å; R175-V178 HydrophobicContact CB-CG2 3.76Å; R175-V178 HydrophobicContact CG-CG2 4.44Å; R175-R179 WeakPolarHBondContact O-CB 3.44Å; R175-R179 PolarHBondContact O-N 3.01Å; R175-R179 VanDerWaalsContact O-N 3.09Å
176T94.3Very high96.2Very high96 Ų9645.6 Ų45.659%0.58922%0.222SC*.Hα-helixtrans-71.8-35.4-178.549.20000112.7R179 Q180T176-R179 WeakPolarHBondContact O-CB 3.41Å; T176-R179 PolarHBondContact O-N 3.1Å; T176-Q180 WeakPolarHBondContact O-CG 3.5Å; T176-Q180 PolarHBondContact O-N 2.9Å
177D95.3Very high96.1Very high63 Ų6349.2 Ų49.234%0.33724%0.24SC..Hα-helixtrans-62.2-47.317351.9-20.9000111.6R175 R179 Q180 Q181R175-D177 VanDerWaalsContact CB-OD1 3.31Å; R175-D177 WeakPolarHBondContact CB-OD1 3.47Å; R175-D177 IonicContact CZ-OD1 2.93Å; R175-D177 IonicContact CZ-OD2 2.91Å; R175-D177 IonicContact NE-OD1 3.68Å; R175-D177 PolarHBondContact NE-OD1 3.26Å; R175-D177 IonicContact NE-OD2 2.87Å; R175-D177 IonicContact NH2-OD1 3.88Å; R175-D177 PolarHBondContact NH2-OD1 3.29Å; R175-D177 IonicContact NH2-OD2 2.69Å; R175-D177 PolarHBondContact NH2-OD2 2.93Å; D177-R179 VanDerWaalsContact C-N 3.32Å; D177-R179 PolarHBondContact O-N 3.2Å; D177-Q180 PolarHBondContact O-N 3.46Å; D177-Q181 WeakPolarHBondContact O-CB 3.3Å; D177-Q181 PolarHBondContact O-N 3.38Å
178V96.4Very high95.9Very high2 Ų249.2 Ų49.21%0.01224%0.24CC..Hα-helixtrans-64-39.3176.3178.60000111.5A136 V141 L171 R175 Q181 L182A136-V178 HydrophobicContact CB-CG2 3.57Å; V141-V178 HydrophobicContact CB-CG1 3.73Å; V141-V178 HydrophobicContact CG1-CG1 4.03Å; V141-V178 HydrophobicContact CG2-CG1 3.75Å; L171-V178 HydrophobicContact CB-CG1 4.03Å; R175-V178 HydrophobicContact CB-CB 3.92Å; R175-V178 HydrophobicContact CB-CG2 3.76Å; R175-V178 HydrophobicContact CG-CG2 4.44Å; V178-Q181 PolarHBondContact O-N 2.92Å; V178-L182 WeakPolarHBondContact O-CB 3.39Å; V178-L182 PolarHBondContact O-N 3.44Å
179R95.9Very high95.8Very high36 Ų3649.5 Ų49.514%0.13624%0.242CC..Hα-helixtrans-60.5-45.8175.3-176.2-169.5-59-161.910.3112.1T172 A173 R175 T176 D177 F183 N229 I230T172-R179 PolarHBondContact O-NE 2.8Å; T172-R179 PolarHBondContact O-NH2 3.43Å; A173-R179 PolarHBondContact O-NH2 3.48Å; R175-R179 WeakPolarHBondContact O-CB 3.44Å; R175-R179 PolarHBondContact O-N 3.01Å; R175-R179 VanDerWaalsContact O-N 3.09Å; T176-R179 WeakPolarHBondContact O-CB 3.41Å; T176-R179 PolarHBondContact O-N 3.1Å; D177-R179 VanDerWaalsContact C-N 3.32Å; D177-R179 PolarHBondContact O-N 3.2Å; R179-F183 WeakPolarHBondContact O-CB 3.26Å; R179-F183 PolarHBondContact O-N 3.21Å; R179-N229 WeakPolarHBondContact CD-O 3.45Å; R179-I230 HydrophobicContact CG-CB 4.46Å; R179-I230 HydrophobicContact CG-CG2 4.11Å
180Q94.4Very high95.7Very high113 Ų11352.3 Ų52.353%0.52826%0.255SS..Hα-helixtrans-66.7-42.9177.4-74.4178.3-1.400111.8T176 D177 L182 F183 Q184T176-Q180 WeakPolarHBondContact O-CG 3.5Å; T176-Q180 PolarHBondContact O-N 2.9Å; D177-Q180 PolarHBondContact O-N 3.46Å; Q180-L182 PolarHBondContact O-N 2.9Å; Q180-F183 PolarHBondContact O-N 2.87Å; Q180-Q184 PolarHBondContact O-N 2.93Å
181Q95.8Very high95.6Very high24 Ų2453.3 Ų53.311%0.11226%0.26CS..Hα-helixtrans-59-46.2175.3171.4161.667.300111.9V141 D177 V178 F183 E185 L186V141-Q181 HydrophobicContact CG1-CG 4.23Å; D177-Q181 WeakPolarHBondContact O-CB 3.3Å; D177-Q181 PolarHBondContact O-N 3.38Å; V178-Q181 PolarHBondContact O-N 2.92Å; Q181-F183 VanDerWaalsContact C-N 3.33Å; Q181-F183 PolarHBondContact O-N 2.71Å; Q181-E185 HydrophobicContact CG-CB 4.38Å; Q181-E185 PolarHBondContact NE2-OE2 3.35Å; Q181-E185 WeakPolarHBondContact O-CB 3.42Å; Q181-E185 PolarHBondContact O-N 3.3Å; Q181-L186 HydrophobicContact CG-CD1 4.22Å; Q181-L186 HydrophobicContact CG-CG 4.37Å; Q181-L186 PolarHBondContact O-N 3.38Å; Q181-L186 VanDerWaalsContact O-N 3.14Å
182L96.6Very high95.6Very high0 Ų053.2 Ų53.20%026%0.26CS..Hα-helixtrans-63.3-40.7177.6-176.158.2000111.7V141 T145 L168 T172 V178 Q180 L186 G188 V226 I230V141-L182 HydrophobicContact CG2-CB 4.23Å; V141-L182 HydrophobicContact CG2-CD1 4.29Å; T145-L182 HydrophobicContact CG2-CD1 4.29Å; T145-L182 WeakPolarHBondContact OG1-CD1 3.27Å; L168-L182 HydrophobicContact CD1-CD2 3.85Å; L168-L182 HydrophobicContact CD2-CD2 4.2Å; L168-L182 HydrophobicContact CG-CD2 4.05Å; T172-L182 HydrophobicContact CG2-CB 4.47Å; T172-L182 HydrophobicContact CG2-CD2 3.53Å; V178-L182 WeakPolarHBondContact O-CB 3.39Å; V178-L182 PolarHBondContact O-N 3.44Å; Q180-L182 PolarHBondContact O-N 2.9Å; L182-L186 HydrophobicContact CD1-CB 4.04Å; L182-L186 HydrophobicContact CD1-CD1 4.11Å; L182-G188 VanDerWaalsContact O-CA 3.3Å; L182-G188 WeakPolarHBondContact O-CA 3.44Å; L182-G188 PolarHBondContact O-N 3.06Å; L182-V226 HydrophobicContact CD2-CG1 3.89Å; L182-I230 HydrophobicContact CB-CG2 4.28Å; L182-I230 HydrophobicContact CD2-CG2 3.86Å; L182-I230 HydrophobicContact CG-CG2 4.2Å
183F94.9Very high95.6Very high37 Ų3753.2 Ų53.216%0.16226%0.26CS..Hα-helixtrans-67.9-52.3179.6-176.5-99.7000112.6R179 Q180 Q181 V189 I230 I235R179-F183 WeakPolarHBondContact O-CB 3.26Å; R179-F183 PolarHBondContact O-N 3.21Å; Q180-F183 PolarHBondContact O-N 2.87Å; Q181-F183 VanDerWaalsContact C-N 3.33Å; Q181-F183 PolarHBondContact O-N 2.71Å; F183-V189 HydrophobicContact CD2-CG2 3.74Å; F183-V189 HydrophobicContact CE2-CG2 3.7Å; F183-I230 HydrophobicContact CB-CB 4.35Å; F183-I230 HydrophobicContact CD2-CB 4.41Å; F183-I230 WeakPolarHBondContact CD2-O 3.45Å; F183-I235 HydrophobicContact CE2-CG1 4.49Å
184Q91.6Very high95.5Very high140 Ų14053.9 Ų53.965%0.65426%0.259SS*.Hα-helixtrans-90.7-52.4-169.3-60.2-176.4-13.400113.4Q180Q180-Q184 PolarHBondContact O-N 2.93Å
185E94.8Very high95.5Very high121 Ų12150.9 Ų50.957%0.56524%0.244SC*.THydrogen-bonded Turntrans-78.9-39.9-172.5-62.3176.2-161.600111.6R139 Q181R139-E185 IonicContact NH2-OE2 2.66Å; R139-E185 PolarHBondContact NH2-OE2 3.03Å; Q181-E185 HydrophobicContact CG-CB 4.38Å; Q181-E185 PolarHBondContact NE2-OE2 3.35Å; Q181-E185 WeakPolarHBondContact O-CB 3.42Å; Q181-E185 PolarHBondContact O-N 3.3Å
186L95.1Very high95.5Very high41 Ų4147.6 Ų47.622%0.21523%0.231CC..SBendtrans-99.74.5-170.9-60.4-179.5000113.9V141 V142 T145 Q181 L182 G188V141-L186 HydrophobicContact CG1-CD1 4.18Å; V141-L186 HydrophobicContact CG2-CD1 4.06Å; V142-L186 HydrophobicContact CG1-CD2 4.46Å; V142-L186 HydrophobicContact CG2-CD1 4.3Å; V142-L186 HydrophobicContact CG2-CD2 4.37Å; T145-L186 HydrophobicContact CG2-CB 4.05Å; T145-L186 HydrophobicContact CG2-CD1 4.27Å; Q181-L186 HydrophobicContact CG-CD1 4.22Å; Q181-L186 HydrophobicContact CG-CG 4.37Å; Q181-L186 PolarHBondContact O-N 3.38Å; Q181-L186 VanDerWaalsContact O-N 3.14Å; L182-L186 HydrophobicContact CD1-CB 4.04Å; L182-L186 HydrophobicContact CD1-CD1 4.11Å; L186-G188 PolarHBondContact O-N 2.81Å; L186-G188 VanDerWaalsContact O-N 3.16Å
187K94.9Very high95.5Very high144 Ų14444.7 Ų44.763%0.62621%0.211SC*.  trans4842-178.1-59.1-171.2175.1-1660113V189 H190 L191K187-V189 PolarHBondContact O-N 2.61Å; K187-V189 VanDerWaalsContact O-N 3.1Å; K187-H190 WeakPolarHBondContact O-CB 3.23Å; K187-H190 PolarHBondContact O-N 3.38Å; K187-L191 PolarHBondContact O-N 3.5Å
188G95.6Very high95.3Very high0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-59.3-28.4-169.200000114.5L182 L186 L192L182-G188 VanDerWaalsContact O-CA 3.3Å; L182-G188 WeakPolarHBondContact O-CA 3.44Å; L182-G188 PolarHBondContact O-N 3.06Å; L186-G188 PolarHBondContact O-N 2.81Å; L186-G188 VanDerWaalsContact O-N 3.16Å; G188-L192 VanDerWaalsContact O-CB 3.23Å; G188-L192 WeakPolarHBondContact O-CB 3.33Å; G188-L192 WeakPolarHBondContact O-CD1 3.39Å; G188-L192 WeakPolarHBondContact O-CG 3.29Å; G188-L192 PolarHBondContact O-N 3.18Å
189V96Very high95.2Very high7 Ų745.7 Ų45.74%0.04222%0.216CC..Hα-helixtrans-63.3-47.2174.7-179.10000110.8F183 K187 T193 L227 I230 T231 L246 Y247 L250F183-V189 HydrophobicContact CD2-CG2 3.74Å; F183-V189 HydrophobicContact CE2-CG2 3.7Å; K187-V189 PolarHBondContact O-N 2.61Å; K187-V189 VanDerWaalsContact O-N 3.1Å; V189-T193 VanDerWaalsContact O-CB 3.24Å; V189-T193 WeakPolarHBondContact O-CB 3.43Å; V189-T193 PolarHBondContact O-N 3.17Å; V189-T193 PolarHBondContact O-OG1 3.4Å; V189-L227 HydrophobicContact CG1-CD2 4.45Å; V189-I230 HydrophobicContact CG2-CD1 3.86Å; V189-I230 HydrophobicContact CG2-CG1 4.37Å; V189-T231 HydrophobicContact CG2-CG2 4.14Å; V189-L246 HydrophobicContact CB-CD2 4.13Å; V189-L246 HydrophobicContact CG1-CD2 3.78Å; V189-L246 HydrophobicContact CG1-CG 4.13Å; V189-Y247 HydrophobicContact CG1-CD1 4.41Å; V189-Y247 HydrophobicContact CG1-CE1 3.92Å; V189-L250 HydrophobicContact CG1-CD2 4.35Å
190H95.9Very high95Very high96 Ų9644.1 Ų44.144%0.44421%0.21SC..Hα-helixtrans-61.2-53.5178.4-175.9-64.6000110.6K187 L192 T193 D194 L246K187-H190 WeakPolarHBondContact O-CB 3.23Å; K187-H190 PolarHBondContact O-N 3.38Å; H190-L192 PolarHBondContact O-N 2.96Å; H190-T193 WeakPolarHBondContact O-CB 3.35Å; H190-T193 PolarHBondContact O-N 3.43Å; H190-T193 VanDerWaalsContact O-N 3.14Å; H190-D194 IonicContact CE1-OD1 3Å; H190-D194 IonicContact CE1-OD2 2.87Å; H190-D194 PolarHBondContact CE1-OD2 2.91Å; H190-D194 IonicContact ND1-OD1 2.88Å; H190-D194 IonicContact ND1-OD2 2.79Å; H190-D194 PolarHBondContact ND1-OD2 3.34Å; H190-D194 PolarHBondContact O-N 2.82Å; H190-L246 HydrophobicContact CB-CD1 4.36Å; H190-L246 HydrophobicContact CB-CD2 4.21Å
191L97.1Very high94.6Very high26 Ų2641.2 Ų41.214%0.13621%0.211CC..Hα-helixtrans-55.4-48.9-179.6173.466.4000112.8T145 V148 G149 K187 T193 D194 T195T145-L191 HydrophobicContact CG2-CD2 3.24Å; T145-L191 WeakPolarHBondContact O-CD2 3.39Å; V148-L191 HydrophobicContact CB-CD2 4.36Å; V148-L191 HydrophobicContact CG1-CD1 4.32Å; V148-L191 HydrophobicContact CG1-CD2 4.19Å; V148-L191 HydrophobicContact CG1-CG 4.19Å; G149-L191 VanDerWaalsContact CA-CD1 3.44Å; K187-L191 PolarHBondContact O-N 3.5Å; L191-T193 VanDerWaalsContact C-N 3.3Å; L191-T193 PolarHBondContact O-N 2.87Å; L191-D194 PolarHBondContact O-N 3.32Å; L191-T195 WeakPolarHBondContact O-CB 3.38Å; L191-T195 PolarHBondContact O-N 3.41Å; L191-T195 PolarHBondContact O-OG1 3.49Å
192L97.7Very high93.8Very high0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-73.5-25.7-177.2-68.8169000112L165 L168 G188 H190 L196 I223 V226 L227 I230L165-L192 HydrophobicContact CD2-CD2 4.32Å; L168-L192 HydrophobicContact CD2-CD2 4.22Å; G188-L192 VanDerWaalsContact O-CB 3.23Å; G188-L192 WeakPolarHBondContact O-CB 3.33Å; G188-L192 WeakPolarHBondContact O-CD1 3.39Å; G188-L192 WeakPolarHBondContact O-CG 3.29Å; G188-L192 PolarHBondContact O-N 3.18Å; H190-L192 PolarHBondContact O-N 2.96Å; L192-L196 VanDerWaalsContact O-CB 3.26Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 PolarHBondContact O-N 2.9Å; L192-I223 HydrophobicContact CB-CG2 4.11Å; L192-I223 HydrophobicContact CD2-CG2 4.3Å; L192-I223 WeakPolarHBondContact O-CG2 3.45Å; L192-V226 HydrophobicContact CD1-CB 3.94Å; L192-V226 HydrophobicContact CD1-CG1 3.41Å; L192-V226 VanDerWaalsContact CD1-CG1 3.41Å; L192-L227 HydrophobicContact CB-CD1 4.16Å; L192-L227 HydrophobicContact CB-CD2 3.64Å; L192-L227 HydrophobicContact CB-CG 3.74Å; L192-L227 HydrophobicContact CD1-CD2 4.11Å; L192-L227 HydrophobicContact CD1-CG 4.11Å; L192-I230 HydrophobicContact CD1-CD1 3.98Å
193T96.6Very high92.2Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-67.3-46.7171.4-58.20000110.3V189 H190 L191 T195 L196 E197 L246 H249 L250 L253V189-T193 VanDerWaalsContact O-CB 3.24Å; V189-T193 WeakPolarHBondContact O-CB 3.43Å; V189-T193 PolarHBondContact O-N 3.17Å; V189-T193 PolarHBondContact O-OG1 3.4Å; H190-T193 WeakPolarHBondContact O-CB 3.35Å; H190-T193 PolarHBondContact O-N 3.43Å; H190-T193 VanDerWaalsContact O-N 3.14Å; L191-T193 VanDerWaalsContact C-N 3.3Å; L191-T193 PolarHBondContact O-N 2.87Å; T193-T195 VanDerWaalsContact C-N 3.29Å; T193-T195 PolarHBondContact O-N 3.14Å; T193-L196 WeakPolarHBondContact O-CB 3.36Å; T193-L196 PolarHBondContact O-N 3.48Å; T193-E197 PolarHBondContact O-N 2.96Å; T193-L246 HydrophobicContact CG2-CD1 4.49Å; T193-H249 VanDerWaalsContact CG2-CD2 3.48Å; T193-H249 WeakPolarHBondContact CG2-CD2 3.43Å; T193-L250 HydrophobicContact CG2-CB 4.07Å; T193-L250 HydrophobicContact CG2-CD1 4.28Å; T193-L253 HydrophobicContact CG2-CD1 3.65Å; T193-L253 WeakPolarHBondContact O-CD1 3.46Å
194D94.8Very high90.4Very high47 Ų4749.3 Ų49.325%0.25127%0.267SS..Hα-helixtrans-61.6-39.1174.8-62.1-27.3000111.8H190 L191 E197 L198H190-D194 IonicContact CE1-OD1 3Å; H190-D194 IonicContact CE1-OD2 2.87Å; H190-D194 PolarHBondContact CE1-OD2 2.91Å; H190-D194 IonicContact ND1-OD1 2.88Å; H190-D194 IonicContact ND1-OD2 2.79Å; H190-D194 PolarHBondContact ND1-OD2 3.34Å; H190-D194 PolarHBondContact O-N 2.82Å; L191-D194 PolarHBondContact O-N 3.32Å; D194-E197 PolarHBondContact O-N 3.4Å; D194-L198 WeakPolarHBondContact O-CB 3.42Å; D194-L198 PolarHBondContact O-N 2.9Å
195T95.6Very high88.6Confident7 Ų752.1 Ų52.14%0.04328%0.281CS..Hα-helixtrans-69-37.3178.2-510000111.2V148 Y151 L191 T193 T199 I223V148-T195 HydrophobicContact CG1-CG2 4.03Å; V148-T195 WeakPolarHBondContact CG1-OG1 3.49Å; Y151-T195 HydrophobicContact CD2-CG2 4.03Å; Y151-T195 HydrophobicContact CE2-CG2 4.49Å; L191-T195 WeakPolarHBondContact O-CB 3.38Å; L191-T195 PolarHBondContact O-N 3.41Å; L191-T195 PolarHBondContact O-OG1 3.49Å; T193-T195 VanDerWaalsContact C-N 3.29Å; T193-T195 PolarHBondContact O-N 3.14Å; T195-T199 WeakPolarHBondContact O-CB 3.35Å; T195-T199 PolarHBondContact O-N 3.36Å; T195-T199 PolarHBondContact O-OG1 3.13Å; T195-I223 HydrophobicContact CG2-CD1 3.7Å; T195-I223 HydrophobicContact CG2-CG1 4.34Å
196L96Very high86.7Confident0 Ų047.7 Ų47.70%027%0.267CS..Hα-helixtrans-65.4-45.9174.2-177.760.9000110.6L192 T193 L198 T199 L200 A220 I223 L224 L227 L250 L253L192-L196 VanDerWaalsContact O-CB 3.26Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 PolarHBondContact O-N 2.9Å; T193-L196 WeakPolarHBondContact O-CB 3.36Å; T193-L196 PolarHBondContact O-N 3.48Å; L196-L198 VanDerWaalsContact C-N 3.34Å; L196-L198 PolarHBondContact O-N 3.22Å; L196-T199 PolarHBondContact O-N 2.83Å; L196-T199 VanDerWaalsContact O-N 3.15Å; L196-L200 HydrophobicContact CD1-CD1 4.07Å; L196-L200 HydrophobicContact CD1-CG 4.08Å; L196-L200 HydrophobicContact CG-CD1 3.88Å; L196-L200 HydrophobicContact CG-CG 4.3Å; L196-L200 WeakPolarHBondContact O-CB 3.31Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.28Å; L196-L200 PolarHBondContact O-N 3.31Å; L196-A220 HydrophobicContact CD1-CB 4.09Å; L196-I223 HydrophobicContact CB-CG2 3.95Å; L196-I223 HydrophobicContact CD1-CG2 4.44Å; L196-L224 HydrophobicContact CD2-CD2 3.94Å; L196-L227 HydrophobicContact CD2-CD1 4.44Å; L196-L250 HydrophobicContact CD2-CD1 4.16Å; L196-L253 HydrophobicContact CB-CD1 4.34Å; L196-L253 HydrophobicContact CD2-CB 4.16Å; L196-L253 HydrophobicContact CD2-CD1 4.32Å; L196-L253 HydrophobicContact CG-CD1 4.36Å
197E94Very high85.1Confident34 Ų3452.6 Ų52.616%0.15929%0.294CS..Hα-helixtrans-56.5-48.2176.1-173.4-179.1-132.700111.3R152 T193 D194 T199 L200 G201 V202 H249 L253R152-E197 IonicContact NH2-OE2 3.6Å; T193-E197 PolarHBondContact O-N 2.96Å; D194-E197 PolarHBondContact O-N 3.4Å; E197-T199 VanDerWaalsContact C-N 3.33Å; E197-T199 PolarHBondContact O-N 2.91Å; E197-L200 PolarHBondContact O-N 3.03Å; E197-G201 PolarHBondContact O-N 2.87Å; E197-G201 VanDerWaalsContact O-N 3.08Å; E197-V202 HydrophobicContact CG-CB 4.4Å; E197-V202 PolarHBondContact O-N 3.34Å; E197-H249 IonicContact OE1-CE1 3.62Å; E197-H249 IonicContact OE1-NE2 2.74Å; E197-L253 HydrophobicContact CB-CD1 3.91Å; E197-L253 HydrophobicContact CB-CD2 4.11Å; E197-L253 HydrophobicContact CG-CD2 4.11Å
198L92.6Very high83.7Confident76 Ų7647.1 Ų47.140%0.39827%0.273SS..Hα-helixtrans-58.1-44.4175.4-179.666.1000111.8R152 D194 L196 G201R152-L198 HydrophobicContact CB-CD2 4.44Å; D194-L198 WeakPolarHBondContact O-CB 3.42Å; D194-L198 PolarHBondContact O-N 2.9Å; L196-L198 VanDerWaalsContact C-N 3.34Å; L196-L198 PolarHBondContact O-N 3.22Å; L198-G201 PolarHBondContact O-N 2.95Å
199T93.6Very high82.8Confident11 Ų1149.4 Ų49.47%0.06729%0.288CS..Hα-helixtrans-69-34.5-178.1-57.60000112.3T195 L196 E197 G201 E216 R219 A220 I223T195-T199 WeakPolarHBondContact O-CB 3.35Å; T195-T199 PolarHBondContact O-N 3.36Å; T195-T199 PolarHBondContact O-OG1 3.13Å; L196-T199 PolarHBondContact O-N 2.83Å; L196-T199 VanDerWaalsContact O-N 3.15Å; E197-T199 VanDerWaalsContact C-N 3.33Å; E197-T199 PolarHBondContact O-N 2.91Å; T199-G201 VanDerWaalsContact C-N 3.27Å; T199-E216 HydrophobicContact CG2-CB 4.13Å; T199-E216 VanDerWaalsContact CG2-O 3.29Å; T199-E216 WeakPolarHBondContact CG2-O 3.18Å; T199-R219 HydrophobicContact CG2-CB 3.96Å; T199-A220 HydrophobicContact CG2-CB 3.98Å; T199-I223 WeakPolarHBondContact OG1-CD1 3.49Å
200L91.3Very high82Confident3 Ų358.3 Ų58.32%0.01633%0.326CS..Hα-helixtrans-76.9-14.8176.1-65173.9000112.6L196 E197 V202 P209 L212 L253 I260 F270L196-L200 HydrophobicContact CD1-CD1 4.07Å; L196-L200 HydrophobicContact CD1-CG 4.08Å; L196-L200 HydrophobicContact CG-CD1 3.88Å; L196-L200 HydrophobicContact CG-CG 4.3Å; L196-L200 WeakPolarHBondContact O-CB 3.31Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.28Å; L196-L200 PolarHBondContact O-N 3.31Å; E197-L200 PolarHBondContact O-N 3.03Å; L200-V202 HydrophobicContact CB-CG2 3.75Å; L200-V202 HydrophobicContact CD1-CG2 4.5Å; L200-V202 PolarHBondContact O-N 3.43Å; L200-P209 WeakPolarHBondContact O-CD 3.22Å; L200-P209 VanDerWaalsContact O-CG 3.26Å; L200-P209 WeakPolarHBondContact O-CG 3.3Å; L200-L212 HydrophobicContact CD2-CD1 4.38Å; L200-L212 HydrophobicContact CD2-CD2 4.05Å; L200-L253 HydrophobicContact CD1-CB 4.32Å; L200-I260 HydrophobicContact CD2-CD1 3.84Å; L200-F270 HydrophobicContact CD2-CZ 4.21Å
201G85.6Confident81.6Confident52 Ų5258.5 Ų58.554%0.53633%0.33SS..THydrogen-bonded Turntrans63.726-176.100000113E197 L198 T199 T203E197-G201 PolarHBondContact O-N 2.87Å; E197-G201 VanDerWaalsContact O-N 3.08Å; L198-G201 PolarHBondContact O-N 2.95Å; T199-G201 VanDerWaalsContact C-N 3.27Å; G201-T203 PolarHBondContact O-N 2.92Å
202V78.8Confident81.4Confident19 Ų1957.4 Ų57.412%0.11532%0.324CS..  trans-75.2123.4177.3179.70000107.5E197 L200 P208E197-V202 HydrophobicContact CG-CB 4.4Å; E197-V202 PolarHBondContact O-N 3.34Å; L200-V202 HydrophobicContact CB-CG2 3.75Å; L200-V202 HydrophobicContact CD1-CG2 4.5Å; L200-V202 PolarHBondContact O-N 3.43Å; V202-P208 HydrophobicContact CG2-CB 4.25Å
203T64.6Low81.2Confident84 Ų8460.6 Ų60.652%0.51534%0.344SS..  trans-95.9151.7169.550.10000108.6G201 E205 G206G201-T203 PolarHBondContact O-N 2.92Å; T203-E205 PolarHBondContact O-N 2.78Å; T203-G206 PolarHBondContact O-N 3.23Å; T203-G206 VanDerWaalsContact OG1-CA 3.31Å; T203-G206 WeakPolarHBondContact OG1-CA 3.09Å; T203-G206 PolarHBondContact OG1-N 2.98Å
204P56.8Low81.1Confident128 Ų12863.1 Ų63.183%0.83136%0.362SS*.THydrogen-bonded Turntrans-54.4-22.9-177-26.533.4000114.8
205E52.7Low81Confident199 Ų19965.6 Ų65.693%0.9337%0.372SS*.THydrogen-bonded Turntrans-117.5-2.4-177.2-60.3-179.9174.300113.1T203T203-E205 PolarHBondContact O-N 2.78Å
206G55.8Low81Confident28 Ų2867.4 Ų67.429%0.28938%0.38SS..SBendtrans-101.4141-172.300000113.1T203T203-G206 PolarHBondContact O-N 3.23Å; T203-G206 VanDerWaalsContact OG1-CA 3.31Å; T203-G206 WeakPolarHBondContact OG1-CA 3.09Å; T203-G206 PolarHBondContact OG1-N 2.98Å
207N61.6Low81Confident143 Ų14367.4 Ų67.477%0.76538%0.38SS*.PPolyproline II helixtrans-61.4139.5165.4-75.3-42.6000109.7
208P64.7Low81.1Confident30 Ų3068 Ų6820%0.19538%0.383CS..PPolyproline II helixtrans-58.9152177.429.4-39.2000110.7V202 K210 H256 I260V202-P208 HydrophobicContact CG2-CB 4.25Å; P208-K210 PolarHBondContact O-N 3.41Å; P208-H256 HydrophobicContact CB-CB 4.18Å; P208-H256 HydrophobicContact CG-CB 4.36Å; P208-H256 WeakPolarHBondContact CG-ND1 3.49Å; P208-I260 HydrophobicContact CB-CG2 4.03Å; P208-I260 HydrophobicContact CG-CG2 4.32Å
209P76.4Confident81.3Confident48 Ų4865.5 Ų65.531%0.31237%0.368SS..PPolyproline II helixtrans-59.2137.3173.726-33.4000109.9L200 L211 I260L200-P209 WeakPolarHBondContact O-CD 3.22Å; L200-P209 VanDerWaalsContact O-CG 3.26Å; L200-P209 WeakPolarHBondContact O-CG 3.3Å; P209-L211 PolarHBondContact O-N 2.91Å; P209-I260 WeakPolarHBondContact O-CG2 3.32Å
210K80.6Confident81.5Confident194 Ų19465 Ų6584%0.84337%0.365SS*.SBendtrans-64.5-27.3179.6-69-175178-177.80113P208 A261P208-K210 PolarHBondContact O-N 3.41Å; K210-A261 PolarHBondContact O-N 3.47Å
211L87.8Confident81.8Confident100 Ų10065.3 Ų65.352%0.52437%0.367SS..EExtended strand (participates in β ladder)trans-135.4125.3-177.8-173.372.2000109.7P209 A261 T262P209-L211 PolarHBondContact O-N 2.91Å; L211-A261 CarbonylContact C-O 3.54Å; L211-A261 WeakPolarHBondContact CA-O 3.45Å; L211-A261 HydrophobicContact CD1-CB 3.92Å; L211-T262 VanDerWaalsContact CD1-C 3.47Å; L211-T262 WeakPolarHBondContact CD1-O 3.3Å
212L91.5Very high82.4Confident2 Ų263.3 Ų63.31%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-89128.2174.4-164.666.2000110L200 E216 T217 A220 I260 A261 T262 A263 F270L200-L212 HydrophobicContact CD2-CD1 4.38Å; L200-L212 HydrophobicContact CD2-CD2 4.05Å; L212-E216 HydrophobicContact CD1-CB 3.67Å; L212-E216 HydrophobicContact CD1-CG 4.34Å; L212-E216 HydrophobicContact CD2-CB 4.3Å; L212-E216 HydrophobicContact CG-CB 3.76Å; L212-T217 PolarHBondContact O-OG1 3.32Å; L212-A220 HydrophobicContact CD2-CB 4.33Å; L212-I260 HydrophobicContact CB-CD1 4.33Å; L212-I260 HydrophobicContact CD2-CD1 4.4Å; L212-A261 PolarHBondContact N-O 2.99Å; L212-T262 CarbonylContact O-C 3.58Å; L212-A263 PolarHBondContact O-N 3.34Å; L212-F270 HydrophobicContact CD2-CE2 4.44Å; L212-F270 HydrophobicContact CD2-CZ 4.19Å
213P93.8Very high83.4Confident67 Ų6762.4 Ų62.444%0.43534%0.338SS..  trans-69.5168.6179.2-4.617.5000112.7Q215 E216 T217P213-Q215 PolarHBondContact O-N 3.06Å; P213-E216 WeakPolarHBondContact CB-OE2 3.4Å; P213-E216 HydrophobicContact CG-CG 4.43Å; P213-E216 VanDerWaalsContact CG-OE2 3.3Å; P213-E216 WeakPolarHBondContact CG-OE2 3.26Å; P213-E216 PolarHBondContact O-N 3Å; P213-T217 WeakPolarHBondContact O-CB 3.42Å; P213-T217 PolarHBondContact O-N 2.9Å; P213-T217 PolarHBondContact O-OG1 3.14Å
214S93.8Very high85Confident54 Ų5458.4 Ų58.438%0.37831%0.314SS..Hα-helixtrans-59.9-44.5-170.2-171.50000113.1T217 E218 R266S214-T217 PolarHBondContact O-N 2.89Å; S214-E218 WeakPolarHBondContact O-CG 3.2Å; S214-E218 PolarHBondContact O-N 3.18Å; S214-E218 VanDerWaalsContact O-N 3.16Å; S214-R266 PolarHBondContact O-NH2 3.07Å; S214-R266 VanDerWaalsContact O-NH2 3.1Å; S214-R266 PolarHBondContact OG-NH2 3.29Å
215Q94.6Very high86.9Confident98 Ų9853.9 Ų53.946%0.45828%0.281SS..Hα-helixtrans-72.1-42-175.6-64.5-172-18.800111.6H158 P213 T217 E218 R219H158-Q215 VanDerWaalsContact CD2-CG 3.42Å; H158-Q215 WeakPolarHBondContact CD2-CG 3.47Å; H158-Q215 PolarHBondContact CE1-O 3.38Å; H158-Q215 VanDerWaalsContact CE1-O 3.3Å; H158-Q215 WeakPolarHBondContact NE2-CB 3.42Å; P213-Q215 PolarHBondContact O-N 3.06Å; Q215-T217 VanDerWaalsContact C-N 3.31Å; Q215-T217 PolarHBondContact O-N 2.98Å; Q215-E218 PolarHBondContact O-N 3.18Å; Q215-R219 WeakPolarHBondContact O-CG 3.45Å; Q215-R219 PolarHBondContact O-N 3.01Å; Q215-R219 VanDerWaalsContact O-N 3.11Å; Q215-R219 PolarHBondContact O-NH1 3.38Å
216E94.8Very high89.1Confident45 Ų4544.4 Ų44.421%0.2124%0.236CC..Hα-helixtrans-63.2-39.8174.6-69.259.8-135.800110.6T199 L212 P213 E218 R219 A220T199-E216 HydrophobicContact CG2-CB 4.13Å; T199-E216 VanDerWaalsContact CG2-O 3.29Å; T199-E216 WeakPolarHBondContact CG2-O 3.18Å; L212-E216 HydrophobicContact CD1-CB 3.67Å; L212-E216 HydrophobicContact CD1-CG 4.34Å; L212-E216 HydrophobicContact CD2-CB 4.3Å; L212-E216 HydrophobicContact CG-CB 3.76Å; P213-E216 WeakPolarHBondContact CB-OE2 3.4Å; P213-E216 HydrophobicContact CG-CG 4.43Å; P213-E216 VanDerWaalsContact CG-OE2 3.3Å; P213-E216 WeakPolarHBondContact CG-OE2 3.26Å; P213-E216 PolarHBondContact O-N 3Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 3.47Å; E216-R219 PolarHBondContact O-N 3.25Å; E216-R219 IonicContact OE1-CZ 2.77Å; E216-R219 IonicContact OE1-NH1 2.63Å; E216-R219 IonicContact OE1-NH2 3.64Å; E216-R219 PolarHBondContact OE1-NH2 2.95Å; E216-A220 WeakPolarHBondContact O-CB 3.23Å; E216-A220 PolarHBondContact O-N 3.25Å
217T95.9Very high91.1Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-60.1-44.3176.1-57.50000111.1L212 P213 S214 Q215 A220 M221 T262L212-T217 PolarHBondContact O-OG1 3.32Å; P213-T217 WeakPolarHBondContact O-CB 3.42Å; P213-T217 PolarHBondContact O-N 2.9Å; P213-T217 PolarHBondContact O-OG1 3.14Å; S214-T217 PolarHBondContact O-N 2.89Å; Q215-T217 VanDerWaalsContact C-N 3.31Å; Q215-T217 PolarHBondContact O-N 2.98Å; T217-A220 PolarHBondContact O-N 2.98Å; T217-M221 HydrophobicContact CG2-CE 4.13Å; T217-M221 HydrophobicContact CG2-SD 4.36Å; T217-M221 WeakPolarHBondContact O-CB 3.38Å; T217-M221 VanDerWaalsContact O-CG 3.27Å; T217-M221 WeakPolarHBondContact O-CG 3.41Å; T217-M221 PolarHBondContact O-N 3.45Å; T217-T262 HydrophobicContact CG2-CG2 3.62Å
218E96.4Very high92.8Very high48 Ų4839.1 Ų39.122%0.22420%0.199CC..Hα-helixtrans-62.5-47.8177.7-74.5168.9-155.500112.3H158 F162 S214 Q215 E216 M221 E222 R266H158-E218 IonicContact NE2-OE2 3.86Å; F162-E218 HydrophobicContact CD2-CB 4.04Å; F162-E218 HydrophobicContact CE2-CB 4.11Å; S214-E218 WeakPolarHBondContact O-CG 3.2Å; S214-E218 PolarHBondContact O-N 3.18Å; S214-E218 VanDerWaalsContact O-N 3.16Å; Q215-E218 PolarHBondContact O-N 3.18Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 3.47Å; E218-M221 PolarHBondContact O-N 2.88Å; E218-E222 PolarHBondContact O-N 3.38Å; E218-E222 VanDerWaalsContact O-N 3.09Å; E218-R266 IonicContact OE1-CZ 2.74Å; E218-R266 VanDerWaalsContact OE1-CZ 3.23Å; E218-R266 IonicContact OE1-NH1 3.89Å; E218-R266 PolarHBondContact OE1-NH1 3.07Å; E218-R266 IonicContact OE1-NH2 3.56Å; E218-R266 PolarHBondContact OE1-NH2 2.94Å
219R97.2Very high94.3Very high22 Ų2238.5 Ų38.58%0.08319%0.194CC..Hα-helixtrans-63.2-45.2177.5-65.2-170.8-56.3-90.76.8111.4H158 Q161 L165 T199 Q215 E216 M221 E222 I223H158-R219 PolarHBondContact ND1-NH1 3.09Å; Q161-R219 VanDerWaalsContact OE1-CD 3.26Å; L165-R219 HydrophobicContact CD1-CB 4.08Å; L165-R219 HydrophobicContact CD1-CG 4.42Å; T199-R219 HydrophobicContact CG2-CB 3.96Å; Q215-R219 WeakPolarHBondContact O-CG 3.45Å; Q215-R219 PolarHBondContact O-N 3.01Å; Q215-R219 VanDerWaalsContact O-N 3.11Å; Q215-R219 PolarHBondContact O-NH1 3.38Å; E216-R219 PolarHBondContact O-N 3.25Å; E216-R219 IonicContact OE1-CZ 2.77Å; E216-R219 IonicContact OE1-NH1 2.63Å; E216-R219 IonicContact OE1-NH2 3.64Å; E216-R219 PolarHBondContact OE1-NH2 2.95Å; R219-M221 VanDerWaalsContact C-N 3.33Å; R219-M221 PolarHBondContact O-N 3.01Å; R219-E222 PolarHBondContact O-N 3.44Å; R219-I223 VanDerWaalsContact O-CG1 3.28Å; R219-I223 WeakPolarHBondContact O-CG1 3.29Å; R219-I223 PolarHBondContact O-N 3.46Å
220A97.4Very high95.2Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-61.1-41.6178.700000111.6L196 T199 L212 E216 T217 I223 L224 F270L196-A220 HydrophobicContact CD1-CB 4.09Å; T199-A220 HydrophobicContact CG2-CB 3.98Å; L212-A220 HydrophobicContact CD2-CB 4.33Å; E216-A220 WeakPolarHBondContact O-CB 3.23Å; E216-A220 PolarHBondContact O-N 3.25Å; T217-A220 PolarHBondContact O-N 2.98Å; A220-I223 PolarHBondContact O-N 2.99Å; A220-L224 WeakPolarHBondContact O-CB 3.47Å; A220-L224 WeakPolarHBondContact O-CG 3.41Å; A220-L224 PolarHBondContact O-N 3.46Å; A220-F270 HydrophobicContact CB-CE2 3.76Å
221M97.9Very high95.9Very high11 Ų1127 Ų275%0.05414%0.139CC..Hα-helixtrans-63.6-41.4175.1-72.3-172.1-55.700112.6T217 E218 R219 L224 K225 E269 F270T217-M221 HydrophobicContact CG2-CE 4.13Å; T217-M221 HydrophobicContact CG2-SD 4.36Å; T217-M221 WeakPolarHBondContact O-CB 3.38Å; T217-M221 VanDerWaalsContact O-CG 3.27Å; T217-M221 WeakPolarHBondContact O-CG 3.41Å; T217-M221 PolarHBondContact O-N 3.45Å; E218-M221 PolarHBondContact O-N 2.88Å; R219-M221 VanDerWaalsContact C-N 3.33Å; R219-M221 PolarHBondContact O-N 3.01Å; M221-L224 PolarHBondContact O-N 2.79Å; M221-K225 WeakPolarHBondContact O-CB 3.46Å; M221-K225 VanDerWaalsContact O-CE 3.23Å; M221-K225 WeakPolarHBondContact O-CE 3.32Å; M221-K225 VanDerWaalsContact O-CG 3.29Å; M221-K225 WeakPolarHBondContact O-CG 3.24Å; M221-K225 PolarHBondContact O-N 3.12Å; M221-E269 HydrophobicContact SD-CB 4.4Å; M221-E269 HydrophobicContact SD-CG 3.94Å; M221-F270 HydrophobicContact CG-CB 4.36Å; M221-F270 HydrophobicContact CG-CD2 3.77Å; M221-F270 HydrophobicContact SD-CB 4.31Å
222E98.2Very high95.8Very high9 Ų925.7 Ų25.74%0.04213%0.132CC..Hα-helixtrans-63.1-43.8174.1-66.1-60.4150.500111.5F162 L165 R166 E218 R219 L224 K225 V226F162-E222 HydrophobicContact CD2-CG 3.87Å; F162-E222 HydrophobicContact CE2-CG 3.51Å; F162-E222 HydrophobicContact CZ-CG 4.31Å; L165-E222 HydrophobicContact CB-CB 3.67Å; L165-E222 HydrophobicContact CB-CG 4.45Å; L165-E222 HydrophobicContact CD1-CB 4.47Å; R166-E222 IonicContact NH1-OE1 3.81Å; R166-E222 IonicContact NH1-OE2 3.64Å; E218-E222 PolarHBondContact O-N 3.38Å; E218-E222 VanDerWaalsContact O-N 3.09Å; R219-E222 PolarHBondContact O-N 3.44Å; E222-L224 PolarHBondContact O-N 3.34Å; E222-K225 VanDerWaalsContact CD-CE 3.44Å; E222-K225 PolarHBondContact O-N 2.93Å; E222-K225 WeakPolarHBondContact OE1-CE 3.35Å; E222-K225 IonicContact OE1-NZ 3.91Å; E222-K225 PolarHBondContact OE1-NZ 3.26Å; E222-K225 VanDerWaalsContact OE2-CE 3.24Å; E222-K225 WeakPolarHBondContact OE2-CE 3.14Å; E222-K225 IonicContact OE2-NZ 2.68Å; E222-K225 PolarHBondContact OE2-NZ 2.85Å; E222-V226 WeakPolarHBondContact O-CG2 3.29Å; E222-V226 PolarHBondContact O-N 3.43Å
223I98.4Very high95.3Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-58.6-47.9176.1-65.2160.4000111L165 L192 T195 L196 T199 R219 A220 K225 V226 L227L165-I223 HydrophobicContact CD1-CD1 4.15Å; L165-I223 HydrophobicContact CD1-CG1 3.75Å; L165-I223 HydrophobicContact CD2-CG1 3.7Å; L165-I223 HydrophobicContact CG-CG1 4.35Å; L192-I223 HydrophobicContact CB-CG2 4.11Å; L192-I223 HydrophobicContact CD2-CG2 4.3Å; L192-I223 WeakPolarHBondContact O-CG2 3.45Å; T195-I223 HydrophobicContact CG2-CD1 3.7Å; T195-I223 HydrophobicContact CG2-CG1 4.34Å; L196-I223 HydrophobicContact CB-CG2 3.95Å; L196-I223 HydrophobicContact CD1-CG2 4.44Å; T199-I223 WeakPolarHBondContact OG1-CD1 3.49Å; R219-I223 VanDerWaalsContact O-CG1 3.28Å; R219-I223 WeakPolarHBondContact O-CG1 3.29Å; R219-I223 PolarHBondContact O-N 3.46Å; A220-I223 PolarHBondContact O-N 2.99Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 3.29Å; I223-V226 PolarHBondContact O-N 2.97Å; I223-L227 HydrophobicContact CG2-CD1 3.83Å; I223-L227 HydrophobicContact CG2-CG 4.39Å; I223-L227 WeakPolarHBondContact O-CB 3.28Å; I223-L227 WeakPolarHBondContact O-CG 3.43Å; I223-L227 PolarHBondContact O-N 3.43Å
224L98.4Very high94.5Very high1 Ų128.4 Ų28.41%0.00515%0.146CC..Hα-helixtrans-60.4-38177.9-69.9172.4000112.1L196 A220 M221 E222 F228 L254 F270 H273 A274 L277L196-L224 HydrophobicContact CD2-CD2 3.94Å; A220-L224 WeakPolarHBondContact O-CB 3.47Å; A220-L224 WeakPolarHBondContact O-CG 3.41Å; A220-L224 PolarHBondContact O-N 3.46Å; M221-L224 PolarHBondContact O-N 2.79Å; E222-L224 PolarHBondContact O-N 3.34Å; L224-F228 WeakPolarHBondContact O-CB 3.36Å; L224-F228 PolarHBondContact O-N 3.32Å; L224-L254 HydrophobicContact CD2-CD2 3.48Å; L224-L254 VanDerWaalsContact CD2-CD2 3.48Å; L224-F270 HydrophobicContact CD1-CD2 4.09Å; L224-F270 HydrophobicContact CD1-CE2 3.76Å; L224-H273 HydrophobicContact CB-CB 3.93Å; L224-H273 HydrophobicContact CD1-CB 3.9Å; L224-A274 HydrophobicContact CD1-CB 4.41Å; L224-L277 HydrophobicContact CD2-CD2 3.88Å
225K97.9Very high93.7Very high32 Ų3227.2 Ų27.214%0.13914%0.135CC..Hα-helixtrans-67.9-41.3176.1-75.1179.7-68.3-170.40112.3F169 M221 E222 I223 F228 N229F169-K225 HydrophobicContact CD2-CB 3.51Å; F169-K225 HydrophobicContact CD2-CD 4.5Å; F169-K225 HydrophobicContact CE2-CB 3.72Å; F169-K225 HydrophobicContact CE2-CD 4.24Å; F169-K225 HydrophobicContact CE2-CG 4.34Å; F169-K225 HydrophobicContact CG-CB 4.31Å; F169-K225 HydrophobicContact CZ-CD 4.43Å; M221-K225 WeakPolarHBondContact O-CB 3.46Å; M221-K225 VanDerWaalsContact O-CE 3.23Å; M221-K225 WeakPolarHBondContact O-CE 3.32Å; M221-K225 VanDerWaalsContact O-CG 3.29Å; M221-K225 WeakPolarHBondContact O-CG 3.24Å; M221-K225 PolarHBondContact O-N 3.12Å; E222-K225 VanDerWaalsContact CD-CE 3.44Å; E222-K225 PolarHBondContact O-N 2.93Å; E222-K225 WeakPolarHBondContact OE1-CE 3.35Å; E222-K225 IonicContact OE1-NZ 3.91Å; E222-K225 PolarHBondContact OE1-NZ 3.26Å; E222-K225 VanDerWaalsContact OE2-CE 3.24Å; E222-K225 WeakPolarHBondContact OE2-CE 3.14Å; E222-K225 IonicContact OE2-NZ 2.68Å; E222-K225 PolarHBondContact OE2-NZ 2.85Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 3.29Å; K225-F228 PolarHBondContact O-N 3.22Å; K225-N229 VanDerWaalsContact O-CG 3.31Å; K225-N229 PolarHBondContact O-N 2.98Å
226V98.3Very high92.2Very high0 Ų029.8 Ų29.80%015%0.145CC..Hα-helixtrans-64.2-47.7174.7-177.30000110.3L168 F169 T172 L182 L192 E222 I223 F228 N229 I230L168-V226 HydrophobicContact CB-CG2 4.27Å; L168-V226 HydrophobicContact CD2-CG1 3.94Å; L168-V226 HydrophobicContact CD2-CG2 4.37Å; L168-V226 HydrophobicContact CG-CG1 3.94Å; L168-V226 HydrophobicContact CG-CG2 4.27Å; F169-V226 HydrophobicContact CB-CG2 3.78Å; T172-V226 HydrophobicContact CG2-CG1 4.31Å; L182-V226 HydrophobicContact CD2-CG1 3.89Å; L192-V226 HydrophobicContact CD1-CB 3.94Å; L192-V226 HydrophobicContact CD1-CG1 3.41Å; L192-V226 VanDerWaalsContact CD1-CG1 3.41Å; E222-V226 WeakPolarHBondContact O-CG2 3.29Å; E222-V226 PolarHBondContact O-N 3.43Å; I223-V226 PolarHBondContact O-N 2.97Å; V226-F228 VanDerWaalsContact C-N 3.3Å; V226-F228 PolarHBondContact O-N 3.18Å; V226-N229 WeakPolarHBondContact O-CB 3.39Å; V226-N229 PolarHBondContact O-N 3.46Å; V226-N229 VanDerWaalsContact O-N 3.15Å; V226-I230 PolarHBondContact O-N 3.33Å
227L98.2Very high90.9Very high0 Ų030.7 Ų30.70%017%0.167CC..Hα-helixtrans-56.6-44.5176.2-80.3168.1000111.3V189 L192 L196 I223 N229 I230 T231 L250 L277V189-L227 HydrophobicContact CG1-CD2 4.45Å; L192-L227 HydrophobicContact CB-CD1 4.16Å; L192-L227 HydrophobicContact CB-CD2 3.64Å; L192-L227 HydrophobicContact CB-CG 3.74Å; L192-L227 HydrophobicContact CD1-CD2 4.11Å; L192-L227 HydrophobicContact CD1-CG 4.11Å; L196-L227 HydrophobicContact CD2-CD1 4.44Å; I223-L227 HydrophobicContact CG2-CD1 3.83Å; I223-L227 HydrophobicContact CG2-CG 4.39Å; I223-L227 WeakPolarHBondContact O-CB 3.28Å; I223-L227 WeakPolarHBondContact O-CG 3.43Å; I223-L227 PolarHBondContact O-N 3.43Å; L227-N229 PolarHBondContact O-N 2.63Å; L227-I230 HydrophobicContact CD2-CD1 4.37Å; L227-I230 WeakPolarHBondContact O-CG1 3.47Å; L227-I230 PolarHBondContact O-N 3Å; L227-T231 WeakPolarHBondContact O-CB 3.18Å; L227-T231 VanDerWaalsContact O-CG2 3.26Å; L227-T231 WeakPolarHBondContact O-CG2 3.09Å; L227-T231 PolarHBondContact O-N 3.06Å; L227-T231 PolarHBondContact O-OG1 3.28Å; L227-L250 HydrophobicContact CD1-CD1 4.04Å; L227-L250 HydrophobicContact CD2-CD2 4.48Å; L227-L277 HydrophobicContact CB-CD1 3.9Å; L227-L277 HydrophobicContact CB-CD2 3.51Å; L227-L277 HydrophobicContact CB-CG 4.4Å; L227-L277 HydrophobicContact CD1-CD2 3.74Å; L227-L277 HydrophobicContact CG-CD2 4.21Å
228F97.3Very high89.8Confident60 Ų6040.4 Ų40.426%0.26321%0.212SC..Hα-helixtrans-58-48.4175.6178.4-96.5000111.6L224 K225 V226 I230 T231 L232 N276 N280L224-F228 WeakPolarHBondContact O-CB 3.36Å; L224-F228 PolarHBondContact O-N 3.32Å; K225-F228 PolarHBondContact O-N 3.22Å; V226-F228 VanDerWaalsContact C-N 3.3Å; V226-F228 PolarHBondContact O-N 3.18Å; F228-I230 PolarHBondContact O-N 3.08Å; F228-T231 PolarHBondContact O-N 2.87Å; F228-T231 PolarHBondContact O-OG1 3.18Å; F228-L232 HydrophobicContact CE1-CD1 4.34Å; F228-L232 HydrophobicContact CE1-CD2 4.5Å; F228-L232 HydrophobicContact CE2-CD1 4.2Å; F228-L232 HydrophobicContact CZ-CD1 3.78Å; F228-L232 WeakPolarHBondContact O-CB 3.3Å; F228-L232 PolarHBondContact O-N 3.39Å; F228-N276 HydrophobicContact CD2-CB 3.89Å; F228-N276 HydrophobicContact CE2-CB 3.95Å; F228-N280 WeakPolarHBondContact CD2-ND2 3.42Å; F228-N280 PolarHBondContact O-ND2 2.89Å
229N96.1Very high89.2Confident17 Ų1739.2 Ų39.29%0.09121%0.208CC..Hα-helixtrans-57.7-47.7179.4-70.6-15.2000112.3F169 T172 A173 R179 K225 V226 L227 T231F169-N229 VanDerWaalsContact CD2-ND2 3.29Å; F169-N229 WeakPolarHBondContact CD2-ND2 3.47Å; F169-N229 WeakPolarHBondContact CE2-ND2 3.24Å; F169-N229 PolarHBondContact O-ND2 3.23Å; T172-N229 PolarHBondContact OG1-ND2 3.2Å; T172-N229 VanDerWaalsContact OG1-ND2 3.15Å; A173-N229 WeakPolarHBondContact CB-ND2 3.48Å; A173-N229 PolarHBondContact N-ND2 3.26Å; R179-N229 WeakPolarHBondContact CD-O 3.45Å; K225-N229 VanDerWaalsContact O-CG 3.31Å; K225-N229 PolarHBondContact O-N 2.98Å; V226-N229 WeakPolarHBondContact O-CB 3.39Å; V226-N229 PolarHBondContact O-N 3.46Å; V226-N229 VanDerWaalsContact O-N 3.15Å; L227-N229 PolarHBondContact O-N 2.63Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 2.79Å
230I95.5Very high88.8Confident0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-76.4-21.4-174.766.2176.1000113.4T172 R179 L182 F183 V189 L192 V226 L227 F228 S234T172-I230 HydrophobicContact CG2-CG2 4.05Å; R179-I230 HydrophobicContact CG-CB 4.46Å; R179-I230 HydrophobicContact CG-CG2 4.11Å; L182-I230 HydrophobicContact CB-CG2 4.28Å; L182-I230 HydrophobicContact CD2-CG2 3.86Å; L182-I230 HydrophobicContact CG-CG2 4.2Å; F183-I230 HydrophobicContact CB-CB 4.35Å; F183-I230 HydrophobicContact CD2-CB 4.41Å; F183-I230 WeakPolarHBondContact CD2-O 3.45Å; V189-I230 HydrophobicContact CG2-CD1 3.86Å; V189-I230 HydrophobicContact CG2-CG1 4.37Å; L192-I230 HydrophobicContact CD1-CD1 3.98Å; V226-I230 PolarHBondContact O-N 3.33Å; L227-I230 HydrophobicContact CD2-CD1 4.37Å; L227-I230 WeakPolarHBondContact O-CG1 3.47Å; L227-I230 PolarHBondContact O-N 3Å; F228-I230 PolarHBondContact O-N 3.08Å; I230-S234 VanDerWaalsContact O-CB 3.29Å; I230-S234 WeakPolarHBondContact O-CB 3.44Å; I230-S234 PolarHBondContact O-OG 3.03Å
231T93.6Very high88.4Confident1 Ų148.8 Ų48.81%0.00626%0.257CS..Hα-helixtrans-94.9-20.8-178.355.30000113.9V189 L227 F228 N229 D233 S234 I235 L277 N280V189-T231 HydrophobicContact CG2-CG2 4.14Å; L227-T231 WeakPolarHBondContact O-CB 3.18Å; L227-T231 VanDerWaalsContact O-CG2 3.26Å; L227-T231 WeakPolarHBondContact O-CG2 3.09Å; L227-T231 PolarHBondContact O-N 3.06Å; L227-T231 PolarHBondContact O-OG1 3.28Å; F228-T231 PolarHBondContact O-N 2.87Å; F228-T231 PolarHBondContact O-OG1 3.18Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 2.79Å; T231-D233 PolarHBondContact O-N 3.27Å; T231-S234 PolarHBondContact O-N 3.49Å; T231-I235 HydrophobicContact CG2-CD1 3.73Å; T231-I235 HydrophobicContact CG2-CG1 4.45Å; T231-I235 PolarHBondContact O-N 2.79Å; T231-L277 HydrophobicContact CG2-CD1 4.42Å; T231-L277 WeakPolarHBondContact OG1-CD1 3.35Å; T231-N280 PolarHBondContact OG1-ND2 2.94Å
232L86.8Confident88Confident73 Ų7355.4 Ų55.438%0.38229%0.287SS..THydrogen-bonded Turntrans-52.5-46.2-170.9-177.667.1000114.6F228F228-L232 HydrophobicContact CE1-CD1 4.34Å; F228-L232 HydrophobicContact CE1-CD2 4.5Å; F228-L232 HydrophobicContact CE2-CD1 4.2Å; F228-L232 HydrophobicContact CZ-CD1 3.78Å; F228-L232 WeakPolarHBondContact O-CB 3.3Å; F228-L232 PolarHBondContact O-N 3.39Å
233D80.5Confident87.7Confident87 Ų8758 Ų5847%0.46530%0.301SS..THydrogen-bonded Turntrans-112.4-12.6-176.3-80-57.8000113.8T231 K236T231-D233 PolarHBondContact O-N 3.27Å; D233-K236 WeakPolarHBondContact O-CD 2.99Å; D233-K236 WeakPolarHBondContact O-CE 3.48Å; D233-K236 IonicContact OD1-NZ 3.56Å; D233-K236 PolarHBondContact OD1-NZ 2.99Å
234S77.5Confident87.3Confident39 Ų3958 Ų5827%0.27330%0.301SS..THydrogen-bonded Turntrans-87.1-26.9-170-46.40000112.4I230 T231 K236I230-S234 VanDerWaalsContact O-CB 3.29Å; I230-S234 WeakPolarHBondContact O-CB 3.44Å; I230-S234 PolarHBondContact O-OG 3.03Å; T231-S234 PolarHBondContact O-N 3.49Å; S234-K236 PolarHBondContact O-N 3.43Å
235I76.3Confident87.1Confident28 Ų2860.5 Ų60.514%0.14432%0.323CS..  trans-91.679177.8-51.9-178.6000108.4F183 T231 V239 Y247 P282F183-I235 HydrophobicContact CE2-CG1 4.49Å; T231-I235 HydrophobicContact CG2-CD1 3.73Å; T231-I235 HydrophobicContact CG2-CG1 4.45Å; T231-I235 PolarHBondContact O-N 2.79Å; I235-V239 HydrophobicContact CG2-CG2 4.32Å; I235-Y247 HydrophobicContact CD1-CD1 4.13Å; I235-Y247 HydrophobicContact CD1-CE1 3.39Å; I235-Y247 HydrophobicContact CD1-CE2 4.2Å; I235-Y247 VanDerWaalsContact CD1-CZ 3.45Å; I235-Y247 HydrophobicContact CG1-CE1 4.3Å; I235-Y247 WeakPolarHBondContact CG1-OH 3.39Å; I235-P282 HydrophobicContact CG2-CG 3.69Å
236K64Low87Confident152 Ų15260.5 Ų60.566%0.66132%0.324SS*.  trans-123.2112.5173.9-71177.5-176.6160.40109.4D233 S234D233-K236 WeakPolarHBondContact O-CD 2.99Å; D233-K236 WeakPolarHBondContact O-CE 3.48Å; D233-K236 IonicContact OD1-NZ 3.56Å; D233-K236 PolarHBondContact OD1-NZ 2.99Å; S234-K236 PolarHBondContact O-N 3.43Å
237G66.5Low86.8Confident65 Ų6560.8 Ų60.867%0.6733%0.325SS*.SBendtrans114.2-160.7171.100000114.9
238E72.6Confident86.7Confident204 Ų20464.1 Ų64.195%0.95334%0.337SS*.  trans-72.1127.1173.7-68.6-168.7164.700109.8
239V84.8Confident86.5Confident22 Ų2264.3 Ų64.313%0.13334%0.339CS..  trans-97.2140.3177.4-1780000108.4I235 D243 Y247 P282 K284I235-V239 HydrophobicContact CG2-CG2 4.32Å; V239-D243 HydrophobicContact CG1-CB 3.18Å; V239-Y247 HydrophobicContact CG1-CD2 3.92Å; V239-Y247 HydrophobicContact CG1-CE2 3.72Å; V239-Y247 HydrophobicContact CG2-CE2 4.26Å; V239-P282 HydrophobicContact CB-CG 4.43Å; V239-P282 HydrophobicContact CG2-CB 4.18Å; V239-P282 HydrophobicContact CG2-CG 3.59Å; V239-K284 PolarHBondContact O-NZ 2.71Å
240D87.8Confident86.5Confident88 Ų8863.5 Ų63.547%0.47134%0.335SS..  trans-64.2175.3173.869.438.2000112.2E242 D243 A244D240-E242 PolarHBondContact OD1-N 3.13Å; D240-D243 WeakPolarHBondContact OD1-CB 3.36Å; D240-D243 PolarHBondContact OD1-N 3.33Å; D240-A244 WeakPolarHBondContact O-CB 3.46Å; D240-A244 PolarHBondContact O-N 2.99Å
241E89.9Confident86.5Confident136 Ų13663.5 Ų63.564%0.63634%0.335SS*.Hα-helixtrans-74.1-27.8-177.5-72.6-61156.800113.4A245E241-A245 WeakPolarHBondContact O-CB 3.49Å; E241-A245 PolarHBondContact O-N 3.46Å
242E90.1Very high86.5Confident149 Ų14965.1 Ų65.170%0.69635%0.345SS*.Hα-helixtrans-71.3-51.2179.5-174.2176.5171.700110.1D240 A244 A245 L246D240-E242 PolarHBondContact OD1-N 3.13Å; E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 3.33Å; E242-A245 WeakPolarHBondContact O-CB 3.46Å; E242-A245 PolarHBondContact O-N 3.44Å; E242-L246 PolarHBondContact O-N 3.31Å
243D90.4Very high86.8Confident63 Ų6361.8 Ų61.834%0.33733%0.327SS..Hα-helixtrans-64.2-36.3174.5-79.3-16.2000111V239 D240 A245 L246 Y247V239-D243 HydrophobicContact CG1-CB 3.18Å; D240-D243 WeakPolarHBondContact OD1-CB 3.36Å; D240-D243 PolarHBondContact OD1-N 3.33Å; D243-A245 VanDerWaalsContact C-N 3.33Å; D243-A245 PolarHBondContact O-N 3Å; D243-L246 PolarHBondContact O-N 2.96Å; D243-Y247 HydrophobicContact CB-CD2 4.37Å; D243-Y247 HydrophobicContact CB-CE2 3.98Å; D243-Y247 WeakPolarHBondContact O-CD2 3.43Å; D243-Y247 PolarHBondContact O-N 3.25Å
244A91.9Very high87.5Confident0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-63.1-39.3174.200000112.1D240 E242 Y247 R248D240-A244 WeakPolarHBondContact O-CB 3.46Å; D240-A244 PolarHBondContact O-N 2.99Å; E242-A244 VanDerWaalsContact C-N 3.31Å; E242-A244 PolarHBondContact O-N 3.33Å; A244-Y247 PolarHBondContact O-N 3.07Å; A244-R248 WeakPolarHBondContact O-CB 3.26Å; A244-R248 VanDerWaalsContact O-CG 3.3Å; A244-R248 WeakPolarHBondContact O-CG 3.36Å; A244-R248 PolarHBondContact O-N 2.9Å
245A94.1Very high88.3Confident55 Ų5557 Ų5746%0.45530%0.296SS..Hα-helixtrans-63.7-43.3173.600000111.4E241 E242 D243 R248 H249E241-A245 WeakPolarHBondContact O-CB 3.49Å; E241-A245 PolarHBondContact O-N 3.46Å; E242-A245 WeakPolarHBondContact O-CB 3.46Å; E242-A245 PolarHBondContact O-N 3.44Å; D243-A245 VanDerWaalsContact C-N 3.33Å; D243-A245 PolarHBondContact O-N 3Å; A245-R248 PolarHBondContact O-N 2.76Å; A245-H249 PolarHBondContact O-N 3Å
246L94.9Very high89Confident31 Ų3157 Ų5716%0.16230%0.296CS..Hα-helixtrans-59.8-47.5174.9176.661.3000112V189 H190 T193 E242 D243 R248 H249 L250V189-L246 HydrophobicContact CB-CD2 4.13Å; V189-L246 HydrophobicContact CG1-CD2 3.78Å; V189-L246 HydrophobicContact CG1-CG 4.13Å; H190-L246 HydrophobicContact CB-CD1 4.36Å; H190-L246 HydrophobicContact CB-CD2 4.21Å; T193-L246 HydrophobicContact CG2-CD1 4.49Å; E242-L246 PolarHBondContact O-N 3.31Å; D243-L246 PolarHBondContact O-N 2.96Å; L246-R248 VanDerWaalsContact C-N 3.33Å; L246-R248 PolarHBondContact O-N 3.48Å; L246-H249 WeakPolarHBondContact O-CB 3.28Å; L246-H249 PolarHBondContact O-N 2.84Å; L246-L250 PolarHBondContact O-N 2.87Å
247Y95Very high90.4Very high6 Ų649.7 Ų49.72%0.02426%0.264CS..Hα-helixtrans-67.4-31178.3-66.7-48.7000113.2V189 I235 V239 D243 A244 G251 L281 P282V189-Y247 HydrophobicContact CG1-CD1 4.41Å; V189-Y247 HydrophobicContact CG1-CE1 3.92Å; I235-Y247 HydrophobicContact CD1-CD1 4.13Å; I235-Y247 HydrophobicContact CD1-CE1 3.39Å; I235-Y247 HydrophobicContact CD1-CE2 4.2Å; I235-Y247 VanDerWaalsContact CD1-CZ 3.45Å; I235-Y247 HydrophobicContact CG1-CE1 4.3Å; I235-Y247 WeakPolarHBondContact CG1-OH 3.39Å; V239-Y247 HydrophobicContact CG1-CD2 3.92Å; V239-Y247 HydrophobicContact CG1-CE2 3.72Å; V239-Y247 HydrophobicContact CG2-CE2 4.26Å; D243-Y247 HydrophobicContact CB-CD2 4.37Å; D243-Y247 HydrophobicContact CB-CE2 3.98Å; D243-Y247 WeakPolarHBondContact O-CD2 3.43Å; D243-Y247 PolarHBondContact O-N 3.25Å; A244-Y247 PolarHBondContact O-N 3.07Å; Y247-G251 PolarHBondContact O-N 2.98Å; Y247-L281 HydrophobicContact CD1-CD2 3.91Å; Y247-L281 HydrophobicContact CG-CD2 4.41Å; Y247-P282 HydrophobicContact CD2-CG 3.63Å; Y247-P282 HydrophobicContact CE2-CG 4.09Å; Y247-P282 HydrophobicContact CG-CG 4.2Å
248R94.4Very high91.7Very high70 Ų7046.9 Ų46.926%0.26423%0.234SC..Hα-helixtrans-68.3-39.9171.2-77.2-171.6-169.8104-5.7111.9A244 A245 L246 G251 T252 C285 D287 V288A244-R248 WeakPolarHBondContact O-CB 3.26Å; A244-R248 VanDerWaalsContact O-CG 3.3Å; A244-R248 WeakPolarHBondContact O-CG 3.36Å; A244-R248 PolarHBondContact O-N 2.9Å; A245-R248 PolarHBondContact O-N 2.76Å; L246-R248 VanDerWaalsContact C-N 3.33Å; L246-R248 PolarHBondContact O-N 3.48Å; R248-G251 PolarHBondContact O-N 3.43Å; R248-T252 PolarHBondContact O-N 3.29Å; R248-T252 PolarHBondContact O-OG1 2.96Å; R248-C285 HydrophobicContact CG-CB 3.86Å; R248-D287 IonicContact NE-OD1 3.55Å; R248-D287 IonicContact NE-OD2 3.23Å; R248-V288 HydrophobicContact CB-CG1 3.71Å; R248-V288 HydrophobicContact CG-CG1 3.72Å
249H94.3Very high92.5Very high65 Ų6541 Ų4130%0.30121%0.208SC..Hα-helixtrans-63-48.3173.8-179.659.8000111T193 E197 A245 L246 G251 T252 L253T193-H249 VanDerWaalsContact CG2-CD2 3.48Å; T193-H249 WeakPolarHBondContact CG2-CD2 3.43Å; E197-H249 IonicContact OE1-CE1 3.62Å; E197-H249 IonicContact OE1-NE2 2.74Å; A245-H249 PolarHBondContact O-N 3Å; L246-H249 WeakPolarHBondContact O-CB 3.28Å; L246-H249 PolarHBondContact O-N 2.84Å; H249-G251 VanDerWaalsContact C-N 3.34Å; H249-G251 PolarHBondContact O-N 3.44Å; H249-T252 WeakPolarHBondContact O-CA 3.4Å; H249-T252 VanDerWaalsContact O-CB 3.26Å; H249-T252 WeakPolarHBondContact O-CB 3.31Å; H249-T252 PolarHBondContact O-N 2.98Å; H249-L253 PolarHBondContact O-N 3.3Å
250L95.9Very high92.8Very high0 Ų040.3 Ų40.30%020%0.203CC..Hα-helixtrans-58.2-43.6172.8176.757.7000112.2V189 T193 L196 L227 L246 T252 L253 L254 L277 L281V189-L250 HydrophobicContact CG1-CD2 4.35Å; T193-L250 HydrophobicContact CG2-CB 4.07Å; T193-L250 HydrophobicContact CG2-CD1 4.28Å; L196-L250 HydrophobicContact CD2-CD1 4.16Å; L227-L250 HydrophobicContact CD1-CD1 4.04Å; L227-L250 HydrophobicContact CD2-CD2 4.48Å; L246-L250 PolarHBondContact O-N 2.87Å; L250-T252 PolarHBondContact O-N 3.04Å; L250-L253 PolarHBondContact O-N 3.28Å; L250-L253 VanDerWaalsContact O-N 3.14Å; L250-L254 HydrophobicContact CD1-CD1 4.44Å; L250-L254 HydrophobicContact CD1-CG 4.3Å; L250-L254 HydrophobicContact CG-CD1 4.22Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 3.5Å; L250-L277 HydrophobicContact CD1-CD2 4.14Å; L250-L277 HydrophobicContact CD2-CD2 4.21Å; L250-L277 HydrophobicContact CG-CD2 4.49Å; L250-L281 HydrophobicContact CD2-CD2 3.94Å; L250-L281 HydrophobicContact CG-CD2 4.42Å
251G94.9Very high92.9Very high0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-59.7-32.9174.800000113Y247 R248 H249 L254 R255Y247-G251 PolarHBondContact O-N 2.98Å; R248-G251 PolarHBondContact O-N 3.43Å; H249-G251 VanDerWaalsContact C-N 3.34Å; H249-G251 PolarHBondContact O-N 3.44Å; G251-L254 PolarHBondContact O-N 2.74Å; G251-R255 WeakPolarHBondContact O-CB 3.44Å; G251-R255 PolarHBondContact O-N 3.41Å
252T93.2Very high92.8Very high35 Ų3531.9 Ų31.922%0.21517%0.168CC..Hα-helixtrans-68.8-42.1174-58.50000111.6R248 H249 L250 R255 H256R248-T252 PolarHBondContact O-N 3.29Å; R248-T252 PolarHBondContact O-OG1 2.96Å; H249-T252 WeakPolarHBondContact O-CA 3.4Å; H249-T252 VanDerWaalsContact O-CB 3.26Å; H249-T252 WeakPolarHBondContact O-CB 3.31Å; H249-T252 PolarHBondContact O-N 2.98Å; L250-T252 PolarHBondContact O-N 3.04Å; T252-R255 VanDerWaalsContact O-CB 3.29Å; T252-R255 WeakPolarHBondContact O-CB 3.33Å; T252-R255 PolarHBondContact O-N 3.4Å; T252-H256 PolarHBondContact O-CD2 3.2Å; T252-H256 PolarHBondContact O-N 3.42Å; T252-H256 VanDerWaalsContact O-N 3.13Å
253L94.1Very high92.7Very high2 Ų226.1 Ų26.11%0.0115%0.146CC..Hα-helixtrans-63.9-42.5173.4-61.2-179.2000111.7T193 L196 E197 L200 H249 L250 R255 H256 C257T193-L253 HydrophobicContact CG2-CD1 3.65Å; T193-L253 WeakPolarHBondContact O-CD1 3.46Å; L196-L253 HydrophobicContact CB-CD1 4.34Å; L196-L253 HydrophobicContact CD2-CB 4.16Å; L196-L253 HydrophobicContact CD2-CD1 4.32Å; L196-L253 HydrophobicContact CG-CD1 4.36Å; E197-L253 HydrophobicContact CB-CD1 3.91Å; E197-L253 HydrophobicContact CB-CD2 4.11Å; E197-L253 HydrophobicContact CG-CD2 4.11Å; L200-L253 HydrophobicContact CD1-CB 4.32Å; H249-L253 PolarHBondContact O-N 3.3Å; L250-L253 PolarHBondContact O-N 3.28Å; L250-L253 VanDerWaalsContact O-N 3.14Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.07Å; L253-H256 CarbonylContact O-C 3.58Å; L253-H256 WeakPolarHBondContact O-CA 3.32Å; L253-H256 WeakPolarHBondContact O-CB 3.45Å; L253-H256 PolarHBondContact O-N 2.65Å; L253-C257 PolarHBondContact O-N 3.36Å; L253-C257 PolarHBondContact O-SG 3.06Å
254L95.7Very high92.5Very high0 Ų026 Ų260%016%0.159CC..Hα-helixtrans-63.1-36.9176.3-71.5176.3000112.7L224 L250 G251 H256 C257 V258 A274 L277 L278 L281L224-L254 HydrophobicContact CD2-CD2 3.48Å; L224-L254 VanDerWaalsContact CD2-CD2 3.48Å; L250-L254 HydrophobicContact CD1-CD1 4.44Å; L250-L254 HydrophobicContact CD1-CG 4.3Å; L250-L254 HydrophobicContact CG-CD1 4.22Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 3.5Å; G251-L254 PolarHBondContact O-N 2.74Å; L254-H256 VanDerWaalsContact C-N 3.3Å; L254-H256 PolarHBondContact O-N 3.35Å; L254-C257 WeakPolarHBondContact O-CB 3.41Å; L254-C257 PolarHBondContact O-N 3.45Å; L254-V258 WeakPolarHBondContact O-CG2 3.18Å; L254-V258 PolarHBondContact O-N 3.25Å; L254-A274 HydrophobicContact CD2-CB 3.96Å; L254-L277 HydrophobicContact CD1-CB 4.02Å; L254-L277 HydrophobicContact CD1-CD2 3.96Å; L254-L277 HydrophobicContact CD1-CG 3.79Å; L254-L277 HydrophobicContact CD2-CB 4.28Å; L254-L277 HydrophobicContact CD2-CD2 4.04Å; L254-L277 HydrophobicContact CD2-CG 4.47Å; L254-L277 HydrophobicContact CG-CD2 4.42Å; L254-L278 HydrophobicContact CB-CD2 3.72Å; L254-L278 HydrophobicContact CB-CG 4.01Å; L254-L278 HydrophobicContact CD1-CD2 3.69Å; L254-L278 HydrophobicContact CD1-CG 3.88Å; L254-L278 HydrophobicContact CG-CD2 4.37Å; L254-L281 HydrophobicContact CD1-CD1 4.07Å
255R93Very high92.3Very high25 Ų2534 Ų349%0.09420%0.202CC..Hα-helixtrans-57.4-44.9170.1-172.1-175.469.5-173.12.7110.9G251 T252 L253 V258 M259 V288 L289 T291 L292 V308G251-R255 WeakPolarHBondContact O-CB 3.44Å; G251-R255 PolarHBondContact O-N 3.41Å; T252-R255 VanDerWaalsContact O-CB 3.29Å; T252-R255 WeakPolarHBondContact O-CB 3.33Å; T252-R255 PolarHBondContact O-N 3.4Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.07Å; R255-V258 PolarHBondContact O-N 3.27Å; R255-M259 VanDerWaalsContact O-CG 3.26Å; R255-M259 WeakPolarHBondContact O-CG 3.25Å; R255-M259 PolarHBondContact O-N 3.09Å; R255-V288 WeakPolarHBondContact CD-O 3.46Å; R255-V288 PolarHBondContact NH1-O 3.41Å; R255-L289 HydrophobicContact CB-CD2 3.98Å; R255-L289 HydrophobicContact CG-CD2 4.28Å; R255-T291 PolarHBondContact NH1-OG1 3.38Å; R255-L292 HydrophobicContact CG-CD1 4.24Å; R255-V308 HydrophobicContact CG-CB 4.49Å; R255-V308 HydrophobicContact CG-CG1 4.24Å; R255-V308 HydrophobicContact CG-CG2 3.45Å; R255-V308 VanDerWaalsContact CG-CG2 3.45Å
256H91.3Very high92.1Very high28 Ų2834.4 Ų34.413%0.1319%0.192CC..Hα-helixtrans-62.2-44.2174-63.7-54.2000111.6P208 T252 L253 L254 V258 M259 I260P208-H256 HydrophobicContact CB-CB 4.18Å; P208-H256 HydrophobicContact CG-CB 4.36Å; P208-H256 WeakPolarHBondContact CG-ND1 3.49Å; T252-H256 PolarHBondContact O-CD2 3.2Å; T252-H256 PolarHBondContact O-N 3.42Å; T252-H256 VanDerWaalsContact O-N 3.13Å; L253-H256 CarbonylContact O-C 3.58Å; L253-H256 WeakPolarHBondContact O-CA 3.32Å; L253-H256 WeakPolarHBondContact O-CB 3.45Å; L253-H256 PolarHBondContact O-N 2.65Å; L254-H256 VanDerWaalsContact C-N 3.3Å; L254-H256 PolarHBondContact O-N 3.35Å; H256-V258 VanDerWaalsContact C-N 3.3Å; H256-V258 PolarHBondContact O-N 2.94Å; H256-M259 PolarHBondContact O-N 2.9Å; H256-I260 WeakPolarHBondContact O-CG1 3.44Å; H256-I260 WeakPolarHBondContact O-CG2 3.29Å; H256-I260 PolarHBondContact O-N 3.46Å
257C93.7Very high92Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-55.3-41.9176.1-62.90000113.1L253 L254 M259 F270 H271 A274L253-C257 PolarHBondContact O-N 3.36Å; L253-C257 PolarHBondContact O-SG 3.06Å; L254-C257 WeakPolarHBondContact O-CB 3.41Å; L254-C257 PolarHBondContact O-N 3.45Å; C257-M259 VanDerWaalsContact C-N 3.27Å; C257-M259 PolarHBondContact O-N 3.42Å; C257-F270 HydrophobicContact CB-CE1 3.7Å; C257-F270 HydrophobicContact CB-CZ 3.63Å; C257-F270 WeakPolarHBondContact O-CE1 3.38Å; C257-F270 VanDerWaalsContact SG-CZ 3.59Å; C257-H271 PolarHBondContact O-CD2 3.26Å; C257-H271 PolarHBondContact O-NE2 3.13Å; C257-A274 HydrophobicContact CB-CB 3.77Å
258V93.2Very high91.9Very high6 Ų637.1 Ų37.14%0.03621%0.207CC..Hα-helixtrans-67.7-28.8178171.80000112.1L254 R255 H256 H271 A274 V275 L278 V308 A311 L312L254-V258 WeakPolarHBondContact O-CG2 3.18Å; L254-V258 PolarHBondContact O-N 3.25Å; R255-V258 PolarHBondContact O-N 3.27Å; H256-V258 VanDerWaalsContact C-N 3.3Å; H256-V258 PolarHBondContact O-N 2.94Å; V258-H271 PolarHBondContact O-CE1 3.39Å; V258-H271 PolarHBondContact O-NE2 3.11Å; V258-A274 HydrophobicContact CG2-CB 4.3Å; V258-V275 HydrophobicContact CG2-CG2 4.46Å; V258-L278 HydrophobicContact CG2-CD1 4.28Å; V258-V308 HydrophobicContact CG1-CG1 4.49Å; V258-A311 HydrophobicContact CG1-CB 3.84Å; V258-L312 HydrophobicContact CG1-CD2 4.04Å; V258-L312 HydrophobicContact CG1-CG 4.24Å; V258-L312 HydrophobicContact CG2-CD2 4.23Å
259M90.1Very high91.8Very high80 Ų8038.1 Ų38.139%0.39421%0.214SC..Hα-helixtrans-91.7-20.6-175.2-66.6-55.8-60.100114.3R255 H256 C257 D307 V308 A311R255-M259 VanDerWaalsContact O-CG 3.26Å; R255-M259 WeakPolarHBondContact O-CG 3.25Å; R255-M259 PolarHBondContact O-N 3.09Å; H256-M259 PolarHBondContact O-N 2.9Å; C257-M259 VanDerWaalsContact C-N 3.27Å; C257-M259 PolarHBondContact O-N 3.42Å; M259-D307 HydrophobicContact CE-CB 3.74Å; M259-D307 HydrophobicContact SD-CB 4.39Å; M259-V308 HydrophobicContact CG-CG2 4.12Å; M259-V308 HydrophobicContact SD-CB 4.47Å; M259-V308 HydrophobicContact SD-CG2 4Å; M259-A311 HydrophobicContact SD-CB 3.97Å
260I90.6Very high91.9Very high7 Ų735 Ų354%0.03620%0.2CC..  trans-89.5151.2179.663.9-175.9000112.1L200 P208 P209 L212 H256 F270 H271L200-I260 HydrophobicContact CD2-CD1 3.84Å; P208-I260 HydrophobicContact CB-CG2 4.03Å; P208-I260 HydrophobicContact CG-CG2 4.32Å; P209-I260 WeakPolarHBondContact O-CG2 3.32Å; L212-I260 HydrophobicContact CB-CD1 4.33Å; L212-I260 HydrophobicContact CD2-CD1 4.4Å; H256-I260 WeakPolarHBondContact O-CG1 3.44Å; H256-I260 WeakPolarHBondContact O-CG2 3.29Å; H256-I260 PolarHBondContact O-N 3.46Å; I260-F270 HydrophobicContact CD1-CE1 3.9Å; I260-F270 HydrophobicContact CD1-CZ 4.2Å; I260-F270 HydrophobicContact CG1-CE1 3.87Å; I260-H271 PolarHBondContact O-NE2 3.3Å
261A89.3Confident91.9Very high42 Ų4236.5 Ų36.535%0.34721%0.207SC..EExtended strand (participates in β ladder)trans-91.5158.1167.200000110.3K210 L211 L212K210-A261 PolarHBondContact O-N 3.47Å; L211-A261 CarbonylContact C-O 3.54Å; L211-A261 WeakPolarHBondContact CA-O 3.45Å; L211-A261 HydrophobicContact CD1-CB 3.92Å; L212-A261 PolarHBondContact N-O 2.99Å
262T89.4Confident91.9Very high5 Ų536.9 Ų36.93%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-109.7155.6173.666.40000110.2L211 L212 T217 G264 R266 T267 F270L211-T262 VanDerWaalsContact CD1-C 3.47Å; L211-T262 WeakPolarHBondContact CD1-O 3.3Å; L212-T262 CarbonylContact O-C 3.58Å; T217-T262 HydrophobicContact CG2-CG2 3.62Å; T262-G264 PolarHBondContact O-N 3.07Å; T262-R266 VanDerWaalsContact OG1-C 3.32Å; T262-T267 PolarHBondContact N-OG1 3.15Å; T262-T267 PolarHBondContact O-OG1 3.38Å; T262-T267 WeakPolarHBondContact OG1-CA 3.15Å; T262-T267 PolarHBondContact OG1-N 3.44Å; T262-T267 PolarHBondContact OG1-OG1 2.88Å; T262-F270 HydrophobicContact CG2-CB 3.8Å; T262-F270 HydrophobicContact CG2-CD1 3.56Å; T262-F270 HydrophobicContact CG2-CE1 4.28Å; T262-F270 HydrophobicContact CG2-CG 3.73Å
263A87.4Confident92.1Very high29 Ų2937 Ų3724%0.2421%0.209CC..SBendtrans-63.2135.2168.900000111L212L212-A263 PolarHBondContact O-N 3.34Å
264G85.6Confident92.2Very high59 Ų5936.9 Ų36.961%0.60821%0.208SC*.G310 helixtrans72.5-162.8-177.500000113.9T262 R266T262-G264 PolarHBondContact O-N 3.07Å; G264-R266 VanDerWaalsContact C-N 3.26Å; G264-R266 PolarHBondContact O-N 3.15Å
265D87.6Confident92.3Very high168 Ų16837 Ų3790%0.89821%0.209SC*.G310 helixtrans-86.915.4-170.5-59.3-31.9000114.2
266R90.9Very high92.4Very high64 Ų6438 Ų3824%0.24222%0.216CC..G310 helixtrans-90.63.9-173.1-64.1-168-69.9-166.2-0.3115.1S214 E218 T262 G264 E268 E269 F270S214-R266 PolarHBondContact O-NH2 3.07Å; S214-R266 VanDerWaalsContact O-NH2 3.1Å; S214-R266 PolarHBondContact OG-NH2 3.29Å; E218-R266 IonicContact OE1-CZ 2.74Å; E218-R266 VanDerWaalsContact OE1-CZ 3.23Å; E218-R266 IonicContact OE1-NH1 3.89Å; E218-R266 PolarHBondContact OE1-NH1 3.07Å; E218-R266 IonicContact OE1-NH2 3.56Å; E218-R266 PolarHBondContact OE1-NH2 2.94Å; T262-R266 VanDerWaalsContact OG1-C 3.32Å; G264-R266 VanDerWaalsContact C-N 3.26Å; G264-R266 PolarHBondContact O-N 3.15Å; R266-E268 VanDerWaalsContact C-N 3.3Å; R266-E268 PolarHBondContact O-N 3.33Å; R266-E269 PolarHBondContact O-N 3.33Å; R266-F270 WeakPolarHBondContact O-CB 3.16Å; R266-F270 PolarHBondContact O-N 3.37Å
267T92.9Very high92.6Very high36 Ų3636.6 Ų36.622%0.22121%0.21CC..Hα-helixtrans-62.7-38.9-175-59.60000111.7T262 F270 H271T262-T267 PolarHBondContact N-OG1 3.15Å; T262-T267 PolarHBondContact O-OG1 3.38Å; T262-T267 WeakPolarHBondContact OG1-CA 3.15Å; T262-T267 PolarHBondContact OG1-N 3.44Å; T262-T267 PolarHBondContact OG1-OG1 2.88Å; T267-F270 PolarHBondContact O-N 2.86Å; T267-H271 VanDerWaalsContact CG2-CE1 3.43Å; T267-H271 WeakPolarHBondContact CG2-CE1 3.44Å; T267-H271 WeakPolarHBondContact O-CB 3.48Å; T267-H271 PolarHBondContact O-N 3.01Å
268E92.1Very high92.7Very high59 Ų5936.7 Ų36.728%0.27621%0.21SC..Hα-helixtrans-69.4-37.1180-161.8-168.5140.200112.7R266 G272 F315 R319 Q322R266-E268 VanDerWaalsContact C-N 3.3Å; R266-E268 PolarHBondContact O-N 3.33Å; E268-G272 PolarHBondContact O-N 3.41Å; E268-F315 HydrophobicContact CG-CD2 4.45Å; E268-F315 HydrophobicContact CG-CE2 3.94Å; E268-F315 WeakPolarHBondContact O-CE2 3.44Å; E268-R319 PolarHBondContact O-NH2 3.46Å; E268-R319 VanDerWaalsContact OE1-CD 3.26Å; E268-R319 WeakPolarHBondContact OE1-CD 3.43Å; E268-R319 IonicContact OE1-CZ 2.64Å; E268-R319 IonicContact OE1-NE 3.66Å; E268-R319 PolarHBondContact OE1-NE 2.92Å; E268-R319 VanDerWaalsContact OE1-NE 3.09Å; E268-R319 IonicContact OE1-NH1 2.76Å; E268-R319 PolarHBondContact OE1-NH1 2.97Å; E268-R319 IonicContact OE1-NH2 3.28Å; E268-Q322 PolarHBondContact OE1-NE2 2.98Å
269E93.4Very high92.7Very high90 Ų9038.2 Ų38.242%0.42123%0.227SC..Hα-helixtrans-65.3-47.3174.5-175.6179.7-17200110.5M221 R266 H271 G272 H273M221-E269 HydrophobicContact SD-CB 4.4Å; M221-E269 HydrophobicContact SD-CG 3.94Å; R266-E269 PolarHBondContact O-N 3.33Å; E269-H271 PolarHBondContact O-N 3.45Å; E269-G272 WeakPolarHBondContact O-CA 3.49Å; E269-G272 PolarHBondContact O-N 3.22Å; E269-G272 VanDerWaalsContact O-N 3.09Å; E269-H273 PolarHBondContact O-CD2 3.47Å; E269-H273 PolarHBondContact O-N 2.91Å
270F95.7Very high92.9Very high0 Ų035.7 Ų35.70%022%0.215CC..Hα-helixtrans-59-48177178.7-113.4000112.5L200 L212 A220 M221 L224 C257 I260 T262 R266 T267 G272 H273 A274L200-F270 HydrophobicContact CD2-CZ 4.21Å; L212-F270 HydrophobicContact CD2-CE2 4.44Å; L212-F270 HydrophobicContact CD2-CZ 4.19Å; A220-F270 HydrophobicContact CB-CE2 3.76Å; M221-F270 HydrophobicContact CG-CB 4.36Å; M221-F270 HydrophobicContact CG-CD2 3.77Å; M221-F270 HydrophobicContact SD-CB 4.31Å; L224-F270 HydrophobicContact CD1-CD2 4.09Å; L224-F270 HydrophobicContact CD1-CE2 3.76Å; C257-F270 HydrophobicContact CB-CE1 3.7Å; C257-F270 HydrophobicContact CB-CZ 3.63Å; C257-F270 WeakPolarHBondContact O-CE1 3.38Å; C257-F270 VanDerWaalsContact SG-CZ 3.59Å; I260-F270 HydrophobicContact CD1-CE1 3.9Å; I260-F270 HydrophobicContact CD1-CZ 4.2Å; I260-F270 HydrophobicContact CG1-CE1 3.87Å; T262-F270 HydrophobicContact CG2-CB 3.8Å; T262-F270 HydrophobicContact CG2-CD1 3.56Å; T262-F270 HydrophobicContact CG2-CE1 4.28Å; T262-F270 HydrophobicContact CG2-CG 3.73Å; R266-F270 WeakPolarHBondContact O-CB 3.16Å; R266-F270 PolarHBondContact O-N 3.37Å; T267-F270 PolarHBondContact O-N 2.86Å; F270-G272 VanDerWaalsContact C-N 3.27Å; F270-G272 PolarHBondContact O-N 3.3Å; F270-H273 PolarHBondContact O-N 3.21Å; F270-A274 PolarHBondContact O-N 2.79Å; F270-A274 VanDerWaalsContact O-N 3.09Å
271H95.7Very high93Very high31 Ų3135.7 Ų35.714%0.14422%0.216CC..Hα-helixtrans-60.5-37.5174-69.4175.8000111.8C257 V258 I260 T267 E269 H273 A274 V275 F315C257-H271 PolarHBondContact O-CD2 3.26Å; C257-H271 PolarHBondContact O-NE2 3.13Å; V258-H271 PolarHBondContact O-CE1 3.39Å; V258-H271 PolarHBondContact O-NE2 3.11Å; I260-H271 PolarHBondContact O-NE2 3.3Å; T267-H271 VanDerWaalsContact CG2-CE1 3.43Å; T267-H271 WeakPolarHBondContact CG2-CE1 3.44Å; T267-H271 WeakPolarHBondContact O-CB 3.48Å; T267-H271 PolarHBondContact O-N 3.01Å; E269-H271 PolarHBondContact O-N 3.45Å; H271-H273 PolarHBondContact O-N 3.12Å; H271-A274 PolarHBondContact O-N 3.41Å; H271-V275 WeakPolarHBondContact O-CB 3.22Å; H271-V275 VanDerWaalsContact O-CG2 3.27Å; H271-V275 WeakPolarHBondContact O-CG2 3.36Å; H271-V275 PolarHBondContact O-N 3.41Å; H271-F315 HydrophobicContact CB-CD2 3.75Å; H271-F315 HydrophobicContact CB-CE2 3.62Å; H271-F315 HydrophobicContact CB-CZ 4.4Å
272G95.4Very high93.1Very high8 Ų834.5 Ų34.58%0.08220%0.204CC..Hα-helixtrans-59-46.5175.100000112.8E268 E269 F270 A274 V275 N276E268-G272 PolarHBondContact O-N 3.41Å; E269-G272 WeakPolarHBondContact O-CA 3.49Å; E269-G272 PolarHBondContact O-N 3.22Å; E269-G272 VanDerWaalsContact O-N 3.09Å; F270-G272 VanDerWaalsContact C-N 3.27Å; F270-G272 PolarHBondContact O-N 3.3Å; G272-A274 PolarHBondContact O-N 2.86Å; G272-V275 PolarHBondContact O-N 3.39Å; G272-N276 WeakPolarHBondContact O-CB 3.16Å; G272-N276 PolarHBondContact O-N 3.35Å; G272-N276 PolarHBondContact O-OD1 3.31Å
273H96.9Very high92.9Very high38 Ų3838.8 Ų38.818%0.17623%0.226CC..Hα-helixtrans-64.3-40176.2-69.9-51.8000112.8L224 E269 F270 H271 N276 L277L224-H273 HydrophobicContact CB-CB 3.93Å; L224-H273 HydrophobicContact CD1-CB 3.9Å; E269-H273 PolarHBondContact O-CD2 3.47Å; E269-H273 PolarHBondContact O-N 2.91Å; F270-H273 PolarHBondContact O-N 3.21Å; H271-H273 PolarHBondContact O-N 3.12Å; H273-N276 PolarHBondContact O-N 2.81Å; H273-L277 PolarHBondContact O-N 3.17Å; H273-L277 VanDerWaalsContact O-N 3.11Å
274A97.1Very high92.9Very high0 Ų040.9 Ų40.90%023%0.23CC..Hα-helixtrans-63.3-44.3176.400000112L224 L254 C257 V258 F270 H271 G272 L277 L278L224-A274 HydrophobicContact CD1-CB 4.41Å; L254-A274 HydrophobicContact CD2-CB 3.96Å; C257-A274 HydrophobicContact CB-CB 3.77Å; V258-A274 HydrophobicContact CG2-CB 4.3Å; F270-A274 PolarHBondContact O-N 2.79Å; F270-A274 VanDerWaalsContact O-N 3.09Å; H271-A274 PolarHBondContact O-N 3.41Å; G272-A274 PolarHBondContact O-N 2.86Å; A274-L277 PolarHBondContact O-N 2.92Å; A274-L278 WeakPolarHBondContact O-CG 3.49Å; A274-L278 PolarHBondContact O-N 3.4Å
275V96.5Very high93.2Very high2 Ų238.1 Ų38.11%0.01220%0.201CC..Hα-helixtrans-67.6-38.6178.5173.60000112.1V258 H271 G272 L277 L278 G279 L312 F315 P332 V333V258-V275 HydrophobicContact CG2-CG2 4.46Å; H271-V275 WeakPolarHBondContact O-CB 3.22Å; H271-V275 VanDerWaalsContact O-CG2 3.27Å; H271-V275 WeakPolarHBondContact O-CG2 3.36Å; H271-V275 PolarHBondContact O-N 3.41Å; G272-V275 PolarHBondContact O-N 3.39Å; V275-L277 VanDerWaalsContact C-N 3.28Å; V275-L277 PolarHBondContact O-N 2.91Å; V275-L278 WeakPolarHBondContact O-CB 3.44Å; V275-L278 PolarHBondContact O-N 3.5Å; V275-G279 PolarHBondContact O-N 3.29Å; V275-L312 HydrophobicContact CG2-CD2 3.56Å; V275-F315 HydrophobicContact CB-CE1 4.44Å; V275-F315 HydrophobicContact CG2-CD1 4.27Å; V275-F315 HydrophobicContact CG2-CE1 4.17Å; V275-P332 HydrophobicContact CG1-CB 4.14Å; V275-V333 HydrophobicContact CG1-CB 3.79Å; V275-V333 HydrophobicContact CG1-CG2 4.47Å
276N95.2Very high93.4Very high45 Ų4530.4 Ų30.424%0.24116%0.16CC..Hα-helixtrans-59.7-42174.2-72.2-7.4000111.1F228 G272 H273 G279 P332F228-N276 HydrophobicContact CD2-CB 3.89Å; F228-N276 HydrophobicContact CE2-CB 3.95Å; G272-N276 WeakPolarHBondContact O-CB 3.16Å; G272-N276 PolarHBondContact O-N 3.35Å; G272-N276 PolarHBondContact O-OD1 3.31Å; H273-N276 PolarHBondContact O-N 2.81Å; N276-G279 PolarHBondContact O-N 3.45Å; N276-P332 WeakPolarHBondContact OD1-CB 3.42Å; N276-P332 VanDerWaalsContact OD1-CG 3.31Å; N276-P332 WeakPolarHBondContact OD1-CG 3.42Å
277L96.6Very high93.3Very high0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-70.3-37.2176.9-172.957.7000112.6L224 L227 T231 L250 L254 H273 A274 V275 G279 N280L224-L277 HydrophobicContact CD2-CD2 3.88Å; L227-L277 HydrophobicContact CB-CD1 3.9Å; L227-L277 HydrophobicContact CB-CD2 3.51Å; L227-L277 HydrophobicContact CB-CG 4.4Å; L227-L277 HydrophobicContact CD1-CD2 3.74Å; L227-L277 HydrophobicContact CG-CD2 4.21Å; T231-L277 HydrophobicContact CG2-CD1 4.42Å; T231-L277 WeakPolarHBondContact OG1-CD1 3.35Å; L250-L277 HydrophobicContact CD1-CD2 4.14Å; L250-L277 HydrophobicContact CD2-CD2 4.21Å; L250-L277 HydrophobicContact CG-CD2 4.49Å; L254-L277 HydrophobicContact CD1-CB 4.02Å; L254-L277 HydrophobicContact CD1-CD2 3.96Å; L254-L277 HydrophobicContact CD1-CG 3.79Å; L254-L277 HydrophobicContact CD2-CB 4.28Å; L254-L277 HydrophobicContact CD2-CD2 4.04Å; L254-L277 HydrophobicContact CD2-CG 4.47Å; L254-L277 HydrophobicContact CG-CD2 4.42Å; H273-L277 PolarHBondContact O-N 3.17Å; H273-L277 VanDerWaalsContact O-N 3.11Å; A274-L277 PolarHBondContact O-N 2.92Å; V275-L277 VanDerWaalsContact C-N 3.28Å; V275-L277 PolarHBondContact O-N 2.91Å; L277-G279 PolarHBondContact O-N 3.35Å; L277-N280 PolarHBondContact O-N 2.93Å
278L95.6Very high93.2Very high1 Ų128.5 Ų28.51%0.00515%0.153CC..Hα-helixtrans-57-36.3172.3-76.1173000111.8L254 V258 A274 V275 N280 L281 L286 L289 V336L254-L278 HydrophobicContact CB-CD2 3.72Å; L254-L278 HydrophobicContact CB-CG 4.01Å; L254-L278 HydrophobicContact CD1-CD2 3.69Å; L254-L278 HydrophobicContact CD1-CG 3.88Å; L254-L278 HydrophobicContact CG-CD2 4.37Å; V258-L278 HydrophobicContact CG2-CD1 4.28Å; A274-L278 WeakPolarHBondContact O-CG 3.49Å; A274-L278 PolarHBondContact O-N 3.4Å; V275-L278 WeakPolarHBondContact O-CB 3.44Å; V275-L278 PolarHBondContact O-N 3.5Å; L278-N280 PolarHBondContact O-N 3.09Å; L278-L281 HydrophobicContact CD2-CD1 4.04Å; L278-L281 PolarHBondContact O-N 3.4Å; L278-L286 HydrophobicContact CD2-CD2 4.31Å; L278-L289 HydrophobicContact CD1-CD1 4.44Å; L278-L289 HydrophobicContact CD1-CD2 4.43Å; L278-L289 HydrophobicContact CD2-CD1 4.38Å; L278-L289 HydrophobicContact CD2-CD2 4.01Å; L278-V336 HydrophobicContact CB-CG1 4.45Å; L278-V336 HydrophobicContact CB-CG2 3.8Å
279G92.6Very high93.2Very high39 Ų3925.7 Ų25.740%0.40214%0.141SC..THydrogen-bonded Turntrans-63.9-18.9176.400000114.7V275 N276 L277V275-G279 PolarHBondContact O-N 3.29Å; N276-G279 PolarHBondContact O-N 3.45Å; L277-G279 PolarHBondContact O-N 3.35Å
280N93.2Very high92.9Very high26 Ų2622.1 Ų22.114%0.13912%0.124CC..THydrogen-bonded Turntrans-93.7-14.6178.6-65.2-4.3000113F228 T231 L277 L278F228-N280 WeakPolarHBondContact CD2-ND2 3.42Å; F228-N280 PolarHBondContact O-ND2 2.89Å; T231-N280 PolarHBondContact OG1-ND2 2.94Å; L277-N280 PolarHBondContact O-N 2.93Å; L278-N280 PolarHBondContact O-N 3.09Å
281L93Very high92.3Very high8 Ų826.3 Ų26.34%0.04215%0.15CC..SBendtrans-70.7150.1-177.6-63.1-173.1000111.6Y247 L250 L254 L278 L283 L286Y247-L281 HydrophobicContact CD1-CD2 3.91Å; Y247-L281 HydrophobicContact CG-CD2 4.41Å; L250-L281 HydrophobicContact CD2-CD2 3.94Å; L250-L281 HydrophobicContact CG-CD2 4.42Å; L254-L281 HydrophobicContact CD1-CD1 4.07Å; L278-L281 HydrophobicContact CD2-CD1 4.04Å; L278-L281 PolarHBondContact O-N 3.4Å; L281-L283 PolarHBondContact O-N 2.96Å; L281-L286 HydrophobicContact CB-CD2 4.3Å
282P91.3Very high91.5Very high16 Ų1627 Ų2710%0.10415%0.154CC..  trans-57.4139.2171.9-21.532.1000111.4I235 V239 Y247 K284 C285I235-P282 HydrophobicContact CG2-CG 3.69Å; V239-P282 HydrophobicContact CB-CG 4.43Å; V239-P282 HydrophobicContact CG2-CB 4.18Å; V239-P282 HydrophobicContact CG2-CG 3.59Å; Y247-P282 HydrophobicContact CD2-CG 3.63Å; Y247-P282 HydrophobicContact CE2-CG 4.09Å; Y247-P282 HydrophobicContact CG-CG 4.2Å; P282-K284 HydrophobicContact CB-CG 4.32Å; P282-K284 PolarHBondContact O-N 2.75Å; P282-K284 VanDerWaalsContact O-N 3.1Å; P282-C285 WeakPolarHBondContact O-CB 3.46Å; P282-C285 PolarHBondContact O-N 2.91Å
283L87Confident90.6Very high96 Ų9633.7 Ų33.750%0.50318%0.184SC..G310 helixtrans-55.3-35.9-175.8-58.4-178.3000113.3L281 C285 L286 E339L281-L283 PolarHBondContact O-N 2.96Å; L283-C285 PolarHBondContact O-N 3.45Å; L283-L286 HydrophobicContact CD2-CD1 4.44Å; L283-L286 PolarHBondContact O-N 2.92Å; L283-E339 HydrophobicContact CD2-CB 4.01Å; L283-E339 HydrophobicContact CD2-CG 3.59Å
284K87.3Confident89.4Confident73 Ų7335 Ų3532%0.31720%0.196SC..G310 helixtrans-66.4-17.4178.366.8174.4-180172.90114.1V239 P282 D287V239-K284 PolarHBondContact O-NZ 2.71Å; P282-K284 HydrophobicContact CB-CG 4.32Å; P282-K284 PolarHBondContact O-N 2.75Å; P282-K284 VanDerWaalsContact O-N 3.1Å; K284-D287 VanDerWaalsContact O-CG 3.28Å
285C91.3Very high88.2Confident0 Ų040.5 Ų40.50%022%0.221CC..G310 helixtrans-97.3-5.2-177.8-56.80000112.9R248 P282 L283 D287 V288R248-C285 HydrophobicContact CG-CB 3.86Å; P282-C285 WeakPolarHBondContact O-CB 3.46Å; P282-C285 PolarHBondContact O-N 2.91Å; L283-C285 PolarHBondContact O-N 3.45Å; C285-D287 VanDerWaalsContact C-OD1 3.25Å; C285-D287 WeakPolarHBondContact CA-OD1 3.22Å; C285-D287 PolarHBondContact O-N 3.49Å; C285-V288 VanDerWaalsContact O-CG2 3.28Å; C285-V288 WeakPolarHBondContact O-CG2 3.29Å
286L91.1Very high86.7Confident7 Ų744.4 Ų44.44%0.03726%0.262CS..G310 helixtrans-76.5-8.5175.9-63.9178.6000112.6L278 L281 L283 V288 L289 E339L278-L286 HydrophobicContact CD2-CD2 4.31Å; L281-L286 HydrophobicContact CB-CD2 4.3Å; L283-L286 HydrophobicContact CD2-CD1 4.44Å; L283-L286 PolarHBondContact O-N 2.92Å; L286-V288 PolarHBondContact O-N 3.38Å; L286-L289 HydrophobicContact CD2-CD1 4.29Å; L286-L289 WeakPolarHBondContact O-CB 3.47Å; L286-L289 WeakPolarHBondContact O-CG 3.12Å; L286-L289 PolarHBondContact O-N 3.49Å; L286-E339 HydrophobicContact CD1-CB 4.02Å
287D89.5Confident85.7Confident49 Ų4950.2 Ų50.226%0.26229%0.293SS..G310 helixtrans-56-34.7173.559.8-15.4000112.4R248 K284 C285 L289 L290R248-D287 IonicContact NE-OD1 3.55Å; R248-D287 IonicContact NE-OD2 3.23Å; K284-D287 VanDerWaalsContact O-CG 3.28Å; C285-D287 VanDerWaalsContact C-OD1 3.25Å; C285-D287 WeakPolarHBondContact CA-OD1 3.22Å; C285-D287 PolarHBondContact O-N 3.49Å; D287-L289 PolarHBondContact O-N 3.25Å; D287-L290 PolarHBondContact O-N 3.05Å
288V91.5Very high85Confident10 Ų1051.6 Ų51.66%0.06130%0.302CS..G310 helixtrans-57-23.6178.1-55.60000113.8R248 R255 C285 L286 L290 T291R248-V288 HydrophobicContact CB-CG1 3.71Å; R248-V288 HydrophobicContact CG-CG1 3.72Å; R255-V288 WeakPolarHBondContact CD-O 3.46Å; R255-V288 PolarHBondContact NH1-O 3.41Å; C285-V288 VanDerWaalsContact O-CG2 3.28Å; C285-V288 WeakPolarHBondContact O-CG2 3.29Å; L286-V288 PolarHBondContact O-N 3.38Å; V288-L290 PolarHBondContact O-N 3.09Å; V288-T291 PolarHBondContact O-N 3Å; V288-T291 PolarHBondContact O-OG1 2.85Å
289L90.6Very high84.4Confident1 Ų153.6 Ų53.61%0.00531%0.314CS..G310 helixtrans-66-20.4177.4-59.7-177.6000112.8R255 L278 L286 D287 V308 V336R255-L289 HydrophobicContact CB-CD2 3.98Å; R255-L289 HydrophobicContact CG-CD2 4.28Å; L278-L289 HydrophobicContact CD1-CD1 4.44Å; L278-L289 HydrophobicContact CD1-CD2 4.43Å; L278-L289 HydrophobicContact CD2-CD1 4.38Å; L278-L289 HydrophobicContact CD2-CD2 4.01Å; L286-L289 HydrophobicContact CD2-CD1 4.29Å; L286-L289 WeakPolarHBondContact O-CB 3.47Å; L286-L289 WeakPolarHBondContact O-CG 3.12Å; L286-L289 PolarHBondContact O-N 3.49Å; D287-L289 PolarHBondContact O-N 3.25Å; L289-V308 HydrophobicContact CB-CG1 4.23Å; L289-V308 HydrophobicContact CD2-CG1 4.19Å; L289-V336 HydrophobicContact CD1-CG1 4.04Å
290L87.3Confident84.1Confident14 Ų1457.3 Ų57.37%0.07332%0.321CS..G310 helixtrans-112.8-0.4-176.2-69.5156.9000113.6D287 V288 L292 V304 M306 I309 H344 A347D287-L290 PolarHBondContact O-N 3.05Å; V288-L290 PolarHBondContact O-N 3.09Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.16Å; L290-V304 HydrophobicContact CB-CG1 4.19Å; L290-V304 HydrophobicContact CD2-CG1 4.1Å; L290-M306 HydrophobicContact CD2-CE 4.22Å; L290-M306 HydrophobicContact CD2-SD 3.96Å; L290-I309 HydrophobicContact CD2-CD1 4.3Å; L290-I309 HydrophobicContact CD2-CG1 3.75Å; L290-H344 HydrophobicContact CD1-CB 3.57Å; L290-H344 WeakPolarHBondContact CD1-CD2 3.32Å; L290-A347 HydrophobicContact CD1-CB 4.08Å; L290-A347 HydrophobicContact CD2-CB 4.2Å
291T83.4Confident83.7Confident88 Ų8858.7 Ų58.754%0.5433%0.326SS..  trans-84.26-17656.60000114.8R255 V288 E293R255-T291 PolarHBondContact NH1-OG1 3.38Å; V288-T291 PolarHBondContact O-N 3Å; V288-T291 PolarHBondContact O-OG1 2.85Å; T291-E293 PolarHBondContact O-N 3.37Å
292L79.8Confident83.2Confident45 Ų4563 Ų6324%0.23635%0.347CS..PPolyproline II helixtrans-64.9130.6178.5-83.5148.9000111R255 L290 N305 V308R255-L292 HydrophobicContact CG-CD1 4.24Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.16Å; L292-N305 HydrophobicContact CB-CB 3.87Å; L292-N305 WeakPolarHBondContact O-CB 3.39Å; L292-V308 HydrophobicContact CD1-CG2 3.49Å; L292-V308 VanDerWaalsContact CD1-CG2 3.49Å
293E76.3Confident82.9Confident150 Ų15064.6 Ų64.670%0.70137%0.367SS*.PPolyproline II helixtrans-62.4130.7168.8-66.3-169.6163.700109.5T291 H295T291-E293 PolarHBondContact O-N 3.37Å; E293-H295 PolarHBondContact O-CE1 3.21Å; E293-H295 PolarHBondContact O-N 2.98Å; E293-H295 PolarHBondContact O-ND1 2.89Å
294P71.5Confident82.9Confident66 Ų6661.8 Ų61.843%0.42935%0.354SS..PPolyproline II helixtrans-68.1123.7177.125.8-30.6000109.7E300P294-E300 HydrophobicContact CB-CG 4.48Å
295H72.2Confident83Confident114 Ų11458.5 Ų58.553%0.52834%0.339SS..PPolyproline II helixtrans-102.3166.2172-64.671.3000109.3E293 D297 S298E293-H295 PolarHBondContact O-CE1 3.21Å; E293-H295 PolarHBondContact O-N 2.98Å; E293-H295 PolarHBondContact O-ND1 2.89Å; H295-D297 PolarHBondContact O-N 3.26Å; H295-S298 PolarHBondContact N-OG 2.75Å; H295-S298 VanDerWaalsContact O-CB 3.3Å; H295-S298 WeakPolarHBondContact O-CB 3.27Å; H295-S298 PolarHBondContact O-N 2.89Å
296G64.1Low82.9Confident85 Ų8558.5 Ų58.588%0.87634%0.339SS*.THydrogen-bonded Turntrans-55.5-25.5-172.100000116.4
297D75.5Confident82.8Confident167 Ų16759 Ų5989%0.89334%0.342SS*.THydrogen-bonded Turntrans-100.30.3178.4-68.3-24.3000113.9H295H295-D297 PolarHBondContact O-N 3.26Å
298S81.1Confident83Confident28 Ų2856.7 Ų56.720%0.19633%0.33CS..SBendtrans-74.4147.5-178-71.40000112.1H295 E300 N305 D307H295-S298 PolarHBondContact N-OG 2.75Å; H295-S298 VanDerWaalsContact O-CB 3.3Å; H295-S298 WeakPolarHBondContact O-CB 3.27Å; H295-S298 PolarHBondContact O-N 2.89Å; S298-E300 PolarHBondContact O-N 2.72Å; S298-N305 WeakPolarHBondContact CB-ND2 3.4Å; S298-N305 PolarHBondContact OG-ND2 3.25Å; S298-N305 VanDerWaalsContact OG-ND2 3.07Å; S298-D307 WeakPolarHBondContact CA-OD2 3.27Å; S298-D307 WeakPolarHBondContact CB-OD2 3.37Å; S298-D307 PolarHBondContact OG-OD2 3.15Å
299V83.1Confident83Confident43 Ų4356.2 Ų56.226%0.26133%0.327SS..  trans-80.9104.9168.9177.70000108.5M306 D307 R310 F350V299-M306 HydrophobicContact CG1-CB 4.35Å; V299-M306 WeakPolarHBondContact O-CB 3.17Å; V299-M306 PolarHBondContact O-N 3.47Å; V299-D307 PolarHBondContact N-OD1 3.1Å; V299-R310 VanDerWaalsContact CG2-CZ 3.5Å; V299-F350 HydrophobicContact CG1-CE2 3.87Å; V299-F350 HydrophobicContact CG1-CZ 4.21Å
300E85.8Confident83Confident117 Ų11758.8 Ų58.855%0.54734%0.336SS..EExtended strand (participates in β ladder)trans-93.1137.9176.1-164.1-169.514100111P294 S298 G303 V304P294-E300 HydrophobicContact CB-CG 4.48Å; S298-E300 PolarHBondContact O-N 2.72Å; E300-G303 WeakPolarHBondContact OE1-CA 3.42Å; E300-G303 PolarHBondContact OE1-N 3.24Å; E300-V304 WeakPolarHBondContact CA-O 3.49Å
301F84.6Confident83.2Confident56 Ų5659.3 Ų59.325%0.24634%0.343CS..EExtended strand (participates in β ladder)trans-140.6122.1170.2-171-93.9000109.8G303 V304 M306 K349 F350 A353F301-G303 VanDerWaalsContact C-N 3.31Å; F301-G303 PolarHBondContact O-N 3.48Å; F301-V304 PolarHBondContact N-O 3.47Å; F301-V304 PolarHBondContact O-N 3.17Å; F301-M306 HydrophobicContact CB-CE 4.19Å; F301-M306 HydrophobicContact CB-CG 3.69Å; F301-K349 HydrophobicContact CE1-CB 3.63Å; F301-K349 HydrophobicContact CZ-CB 4.12Å; F301-F350 HydrophobicContact CB-CB 4.41Å; F301-F350 HydrophobicContact CB-CD2 3.77Å; F301-F350 HydrophobicContact CB-CG 4.46Å; F301-F350 HydrophobicContact CD1-CB 3.84Å; F301-F350 HydrophobicContact CD1-CD2 4.49Å; F301-F350 HydrophobicContact CD2-CD2 4.07Å; F301-F350 HydrophobicContact CE1-CB 4.28Å; F301-F350 HydrophobicContact CG-CB 4.07Å; F301-F350 AromaticContact CG-CD2 3.87Å; F301-F350 HydrophobicContact CG-CD2 3.87Å; F301-F350 HydrophobicContact CG-CG 4.45Å; F301-A353 HydrophobicContact CZ-CB 4.46Å
302M83.8Confident83.7Confident98 Ų9855.1 Ų55.148%0.48332%0.317SS..THydrogen-bonded Turntrans53.840.4-176-59.21786400114.1V304 P346 K349M302-V304 VanDerWaalsContact C-N 3.3Å; M302-V304 PolarHBondContact O-N 3.35Å; M302-P346 HydrophobicContact CB-CB 4.32Å; M302-P346 HydrophobicContact CB-CG 4.44Å; M302-K349 HydrophobicContact SD-CB 4.36Å; M302-K349 HydrophobicContact SD-CD 3.85Å
303G83.9Confident84.3Confident49 Ų4953.2 Ų53.251%0.50531%0.307SS..THydrogen-bonded Turntrans80.36.6179.400000115E300 F301E300-G303 WeakPolarHBondContact OE1-CA 3.42Å; E300-G303 PolarHBondContact OE1-N 3.24Å; F301-G303 VanDerWaalsContact C-N 3.31Å; F301-G303 PolarHBondContact O-N 3.48Å
304V88.1Confident85Confident38 Ų3849 Ų4923%0.2329%0.289CS..EExtended strand (participates in β ladder)trans-125.6140.8-175-178.30000110.4L290 E300 F301 M302 M306 P346L290-V304 HydrophobicContact CB-CG1 4.19Å; L290-V304 HydrophobicContact CD2-CG1 4.1Å; E300-V304 WeakPolarHBondContact CA-O 3.49Å; F301-V304 PolarHBondContact N-O 3.47Å; F301-V304 PolarHBondContact O-N 3.17Å; M302-V304 VanDerWaalsContact C-N 3.3Å; M302-V304 PolarHBondContact O-N 3.35Å; V304-M306 HydrophobicContact CB-CE 3.98Å; V304-M306 HydrophobicContact CG1-CE 4Å; V304-P346 HydrophobicContact CB-CB 4.25Å; V304-P346 HydrophobicContact CG2-CB 4.18Å; V304-P346 HydrophobicContact CG2-CG 4.01Å
305N88.8Confident86Confident4 Ų446.5 Ų46.52%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-71.1127.8175.4-175.3-43000111.2L292 S298 D307L292-N305 HydrophobicContact CB-CB 3.87Å; L292-N305 WeakPolarHBondContact O-CB 3.39Å; S298-N305 WeakPolarHBondContact CB-ND2 3.4Å; S298-N305 PolarHBondContact OG-ND2 3.25Å; S298-N305 VanDerWaalsContact OG-ND2 3.07Å; N305-D307 PolarHBondContact ND2-OD2 3.07Å; N305-D307 WeakPolarHBondContact OD1-CB 3.45Å; N305-D307 PolarHBondContact OD1-N 3.39Å; N305-D307 PolarHBondContact OD1-OD2 3.28Å; N305-D307 VanDerWaalsContact OD1-OD2 3.14Å
306M89.7Confident87Confident0 Ų041 Ų410%025%0.246CC..  trans-111.513.6-179.4-64.5-64.816300113.7L290 V299 F301 V304 V308 I309 R310 P346 F350L290-M306 HydrophobicContact CD2-CE 4.22Å; L290-M306 HydrophobicContact CD2-SD 3.96Å; V299-M306 HydrophobicContact CG1-CB 4.35Å; V299-M306 WeakPolarHBondContact O-CB 3.17Å; V299-M306 PolarHBondContact O-N 3.47Å; F301-M306 HydrophobicContact CB-CE 4.19Å; F301-M306 HydrophobicContact CB-CG 3.69Å; V304-M306 HydrophobicContact CB-CE 3.98Å; V304-M306 HydrophobicContact CG1-CE 4Å; M306-V308 VanDerWaalsContact C-N 3.35Å; M306-V308 PolarHBondContact O-N 3.23Å; M306-I309 PolarHBondContact O-N 3.07Å; M306-I309 HydrophobicContact SD-CB 4.49Å; M306-I309 HydrophobicContact SD-CG1 4.29Å; M306-R310 VanDerWaalsContact O-CB 3.22Å; M306-R310 WeakPolarHBondContact O-CB 3.2Å; M306-R310 PolarHBondContact O-N 2.87Å; M306-P346 VanDerWaalsContact CE-C 3.45Å; M306-P346 HydrophobicContact CE-CB 3.41Å; M306-P346 VanDerWaalsContact CE-CB 3.41Å; M306-F350 HydrophobicContact CB-CD1 4.01Å; M306-F350 HydrophobicContact CB-CD2 4.01Å; M306-F350 HydrophobicContact CB-CE1 3.85Å; M306-F350 HydrophobicContact CB-CE2 3.84Å; M306-F350 HydrophobicContact CB-CG 4.08Å; M306-F350 HydrophobicContact CB-CZ 3.76Å; M306-F350 HydrophobicContact CE-CB 4.28Å; M306-F350 HydrophobicContact CG-CB 4.17Å; M306-F350 HydrophobicContact CG-CD1 4.02Å; M306-F350 HydrophobicContact CG-CD2 3.72Å; M306-F350 HydrophobicContact CG-CE1 4.36Å; M306-F350 HydrophobicContact CG-CE2 4.07Å; M306-F350 HydrophobicContact CG-CG 3.68Å; M306-F350 HydrophobicContact CG-CZ 4.38Å; M306-F350 HydrophobicContact SD-CB 3.88Å; M306-F350 HydrophobicContact SD-CD1 3.99Å; M306-F350 HydrophobicContact SD-CD2 4.49Å; M306-F350 HydrophobicContact SD-CG 3.86Å
307D89.3Confident88.2Confident16 Ų1639.9 Ų39.99%0.08622%0.218CC..Hα-helixtrans-59.6-43.6-177-66.8-34.8000112.7M259 S298 V299 N305 R310 A311M259-D307 HydrophobicContact CE-CB 3.74Å; M259-D307 HydrophobicContact SD-CB 4.39Å; S298-D307 WeakPolarHBondContact CA-OD2 3.27Å; S298-D307 WeakPolarHBondContact CB-OD2 3.37Å; S298-D307 PolarHBondContact OG-OD2 3.15Å; V299-D307 PolarHBondContact N-OD1 3.1Å; N305-D307 PolarHBondContact ND2-OD2 3.07Å; N305-D307 WeakPolarHBondContact OD1-CB 3.45Å; N305-D307 PolarHBondContact OD1-N 3.39Å; N305-D307 PolarHBondContact OD1-OD2 3.28Å; N305-D307 VanDerWaalsContact OD1-OD2 3.14Å; D307-R310 VanDerWaalsContact CA-NH1 3.34Å; D307-R310 WeakPolarHBondContact O-CB 3.31Å; D307-R310 PolarHBondContact O-N 3.37Å; D307-R310 IonicContact OD1-CZ 3.66Å; D307-R310 IonicContact OD1-NH1 2.82Å; D307-R310 PolarHBondContact OD1-NH1 2.94Å; D307-R310 IonicContact OD1-NH2 3.74Å; D307-R310 PolarHBondContact OD1-NH2 3.47Å; D307-A311 WeakPolarHBondContact O-CB 3.39Å; D307-A311 PolarHBondContact O-N 3.46Å
308V91.9Very high88.9Confident2 Ų237.9 Ų37.91%0.01220%0.201CC..Hα-helixtrans-69.7-46179.9-1780000111.1R255 V258 M259 L289 L292 M306 R310 A311 L312R255-V308 HydrophobicContact CG-CB 4.49Å; R255-V308 HydrophobicContact CG-CG1 4.24Å; R255-V308 HydrophobicContact CG-CG2 3.45Å; R255-V308 VanDerWaalsContact CG-CG2 3.45Å; V258-V308 HydrophobicContact CG1-CG1 4.49Å; M259-V308 HydrophobicContact CG-CG2 4.12Å; M259-V308 HydrophobicContact SD-CB 4.47Å; M259-V308 HydrophobicContact SD-CG2 4Å; L289-V308 HydrophobicContact CB-CG1 4.23Å; L289-V308 HydrophobicContact CD2-CG1 4.19Å; L292-V308 HydrophobicContact CD1-CG2 3.49Å; L292-V308 VanDerWaalsContact CD1-CG2 3.49Å; M306-V308 VanDerWaalsContact C-N 3.35Å; M306-V308 PolarHBondContact O-N 3.23Å; V308-R310 VanDerWaalsContact C-N 3.27Å; V308-R310 PolarHBondContact O-N 3.32Å; V308-A311 PolarHBondContact O-N 3.25Å; V308-A311 VanDerWaalsContact O-N 3.17Å; V308-L312 HydrophobicContact CG1-CD1 4.3Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.01Å
309I92.1Very high89.4Confident0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-61.9-39.7177.4-58.4-56.6000110.5L290 M306 L312 L313 L337 C340 F350 L351L290-I309 HydrophobicContact CD2-CD1 4.3Å; L290-I309 HydrophobicContact CD2-CG1 3.75Å; M306-I309 PolarHBondContact O-N 3.07Å; M306-I309 HydrophobicContact SD-CB 4.49Å; M306-I309 HydrophobicContact SD-CG1 4.29Å; I309-L312 PolarHBondContact O-N 3.23Å; I309-L313 WeakPolarHBondContact O-CB 3.36Å; I309-L313 PolarHBondContact O-N 2.97Å; I309-L337 HydrophobicContact CG2-CD2 4.1Å; I309-C340 HydrophobicContact CD1-CB 4.03Å; I309-F350 HydrophobicContact CG2-CD1 3.97Å; I309-F350 HydrophobicContact CG2-CE1 4.22Å; I309-L351 HydrophobicContact CG2-CD1 4.14Å; I309-L351 HydrophobicContact CG2-CD2 3.7Å; I309-L351 HydrophobicContact CG2-CG 3.88Å
310R90.6Very high89.7Confident54 Ų5437.4 Ų37.420%0.20419%0.192CC..Hα-helixtrans-61.4-47.7173.5-178.6177.569.6-98.38.5111.6V299 M306 D307 V308 L312 L313 I314 F350 P358V299-R310 VanDerWaalsContact CG2-CZ 3.5Å; M306-R310 VanDerWaalsContact O-CB 3.22Å; M306-R310 WeakPolarHBondContact O-CB 3.2Å; M306-R310 PolarHBondContact O-N 2.87Å; D307-R310 VanDerWaalsContact CA-NH1 3.34Å; D307-R310 WeakPolarHBondContact O-CB 3.31Å; D307-R310 PolarHBondContact O-N 3.37Å; D307-R310 IonicContact OD1-CZ 3.66Å; D307-R310 IonicContact OD1-NH1 2.82Å; D307-R310 PolarHBondContact OD1-NH1 2.94Å; D307-R310 IonicContact OD1-NH2 3.74Å; D307-R310 PolarHBondContact OD1-NH2 3.47Å; V308-R310 VanDerWaalsContact C-N 3.27Å; V308-R310 PolarHBondContact O-N 3.32Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 2.96Å; R310-L313 PolarHBondContact O-N 3.23Å; R310-I314 HydrophobicContact CG-CD1 3.9Å; R310-I314 WeakPolarHBondContact O-CG1 3.47Å; R310-I314 PolarHBondContact O-N 3.48Å; R310-F350 HydrophobicContact CB-CE1 4.49Å; R310-F350 HydrophobicContact CB-CZ 4.45Å; R310-P358 VanDerWaalsContact CD-CD 3.46Å; R310-P358 HydrophobicContact CG-CG 3.5Å
311A92Very high89.7Confident25 Ų2537.2 Ų37.221%0.20719%0.191CC..Hα-helixtrans-60.4-44.117900000111.5V258 M259 D307 V308 L313 I314 F315V258-A311 HydrophobicContact CG1-CB 3.84Å; M259-A311 HydrophobicContact SD-CB 3.97Å; D307-A311 WeakPolarHBondContact O-CB 3.39Å; D307-A311 PolarHBondContact O-N 3.46Å; V308-A311 PolarHBondContact O-N 3.25Å; V308-A311 VanDerWaalsContact O-N 3.17Å; A311-L313 PolarHBondContact O-N 3.01Å; A311-I314 PolarHBondContact O-N 2.87Å; A311-F315 WeakPolarHBondContact O-CB 3.47Å; A311-F315 PolarHBondContact O-N 3.38Å
312L94.1Very high89.6Confident1 Ų137.6 Ų37.61%0.00519%0.194CC..Hα-helixtrans-62.7-38.7175-69.7174.5000112.6V258 V275 V308 I309 R310 F315 L316 V333 V336 L337V258-L312 HydrophobicContact CG1-CD2 4.04Å; V258-L312 HydrophobicContact CG1-CG 4.24Å; V258-L312 HydrophobicContact CG2-CD2 4.23Å; V275-L312 HydrophobicContact CG2-CD2 3.56Å; V308-L312 HydrophobicContact CG1-CD1 4.3Å; V308-L312 WeakPolarHBondContact O-CG 3.46Å; V308-L312 PolarHBondContact O-N 3.01Å; I309-L312 PolarHBondContact O-N 3.23Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 2.96Å; L312-F315 PolarHBondContact O-N 2.87Å; L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 PolarHBondContact O-N 3.35Å; L312-V333 HydrophobicContact CB-CG2 4.41Å; L312-V336 HydrophobicContact CD1-CG1 4.16Å; L312-L337 HydrophobicContact CB-CD2 3.85Å; L312-L337 HydrophobicContact CB-CG 4.31Å; L312-L337 HydrophobicContact CD1-CD2 4.24Å
313L92.1Very high89Confident4 Ų438.1 Ų38.12%0.02120%0.202CC..Hα-helixtrans-66.6-43.2176.8-172.364.4000111.9I309 R310 A311 F315 L316 E317 L351 V361 L378I309-L313 WeakPolarHBondContact O-CB 3.36Å; I309-L313 PolarHBondContact O-N 2.97Å; R310-L313 PolarHBondContact O-N 3.23Å; A311-L313 PolarHBondContact O-N 3.01Å; L313-F315 VanDerWaalsContact C-N 3.31Å; L313-L316 HydrophobicContact CD1-CD2 4.34Å; L313-L316 WeakPolarHBondContact O-CB 3.37Å; L313-L316 PolarHBondContact O-N 3.34Å; L313-E317 PolarHBondContact O-N 3.42Å; L313-L351 HydrophobicContact CD1-CD2 4.21Å; L313-L351 HydrophobicContact CD2-CD2 4.28Å; L313-V361 HydrophobicContact CD1-CG2 3.8Å; L313-L378 HydrophobicContact CD1-CD2 3.57Å; L313-L378 HydrophobicContact CG-CD2 4.25Å
314I91Very high88.7Confident63 Ų6343.1 Ų43.132%0.32321%0.212SC..Hα-helixtrans-63.5-40.7174.5-67.6167.1000110.3R310 A311 E317 K318R310-I314 HydrophobicContact CG-CD1 3.9Å; R310-I314 WeakPolarHBondContact O-CG1 3.47Å; R310-I314 PolarHBondContact O-N 3.48Å; A311-I314 PolarHBondContact O-N 2.87Å; I314-E317 PolarHBondContact O-N 3.29Å; I314-K318 WeakPolarHBondContact O-CG 3.45Å; I314-K318 PolarHBondContact O-N 2.96Å
315F92.6Very high88.3Confident12 Ų1250.5 Ų50.55%0.05324%0.236CC..Hα-helixtrans-61.4-46.6175.4178.2-98.4000111.7E268 H271 V275 A311 L312 L313 E317 K318 R319 V333E268-F315 HydrophobicContact CG-CD2 4.45Å; E268-F315 HydrophobicContact CG-CE2 3.94Å; E268-F315 WeakPolarHBondContact O-CE2 3.44Å; H271-F315 HydrophobicContact CB-CD2 3.75Å; H271-F315 HydrophobicContact CB-CE2 3.62Å; H271-F315 HydrophobicContact CB-CZ 4.4Å; V275-F315 HydrophobicContact CB-CE1 4.44Å; V275-F315 HydrophobicContact CG2-CD1 4.27Å; V275-F315 HydrophobicContact CG2-CE1 4.17Å; A311-F315 WeakPolarHBondContact O-CB 3.47Å; A311-F315 PolarHBondContact O-N 3.38Å; L312-F315 PolarHBondContact O-N 2.87Å; L313-F315 VanDerWaalsContact C-N 3.31Å; F315-E317 VanDerWaalsContact C-N 3.35Å; F315-E317 PolarHBondContact O-N 3.35Å; F315-K318 PolarHBondContact O-N 2.97Å; F315-R319 HydrophobicContact CD1-CG 4.21Å; F315-R319 HydrophobicContact CE1-CG 3.78Å; F315-R319 HydrophobicContact CE2-CG 4.18Å; F315-R319 HydrophobicContact CZ-CG 3.76Å; F315-R319 WeakPolarHBondContact O-CG 3.38Å; F315-R319 PolarHBondContact O-N 3.3Å; F315-V333 HydrophobicContact CD1-CB 4.28Å; F315-V333 HydrophobicContact CD1-CG2 4.15Å; F315-V333 HydrophobicContact CE1-CB 4.46Å
316L92.8Very high88Confident0 Ų051.4 Ų51.40%024%0.241CC..Hα-helixtrans-56.2-48.1173.5167.862.9000111.4L312 L313 K318 R319 L320 V330 V333 L334 L337L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 PolarHBondContact O-N 3.35Å; L313-L316 HydrophobicContact CD1-CD2 4.34Å; L313-L316 WeakPolarHBondContact O-CB 3.37Å; L313-L316 PolarHBondContact O-N 3.34Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.2Å; L316-R319 PolarHBondContact O-N 3.09Å; L316-L320 HydrophobicContact CD1-CD1 3.92Å; L316-L320 HydrophobicContact CD1-CD2 4.4Å; L316-L320 HydrophobicContact CD1-CG 3.9Å; L316-L320 HydrophobicContact CG-CD1 4Å; L316-L320 HydrophobicContact CG-CG 4.4Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.36Å; L316-L320 PolarHBondContact O-N 2.83Å; L316-V330 HydrophobicContact CD1-CG1 3.56Å; L316-V333 HydrophobicContact CB-CG1 4.04Å; L316-V333 HydrophobicContact CB-CG2 3.97Å; L316-V333 HydrophobicContact CD1-CG1 3.73Å; L316-V333 HydrophobicContact CG-CG1 4.43Å; L316-L334 HydrophobicContact CD1-CD2 4.08Å; L316-L334 HydrophobicContact CD1-CG 4.13Å; L316-L334 HydrophobicContact CD2-CD2 3.68Å; L316-L337 HydrophobicContact CD2-CD1 4.01Å
317E90.2Very high87.9Confident60 Ų6055.8 Ų55.828%0.2826%0.26SS..Hα-helixtrans-60.1-43.8179.9-176.6169.6-150.500111.6L313 I314 F315 L320 H321L313-E317 PolarHBondContact O-N 3.42Å; I314-E317 PolarHBondContact O-N 3.29Å; F315-E317 VanDerWaalsContact C-N 3.35Å; F315-E317 PolarHBondContact O-N 3.35Å; E317-L320 PolarHBondContact O-N 3.42Å; E317-H321 PolarHBondContact O-CE1 3.02Å; E317-H321 VanDerWaalsContact O-CE1 3.29Å; E317-H321 PolarHBondContact O-ND1 3.24Å
318K90.3Very high87.7Confident126 Ų12661 Ų6155%0.54828%0.284SS..Hα-helixtrans-59.5-47.5173.9-71.7178.5179.8-1770111.8I314 F315 L316 L320 H321I314-K318 WeakPolarHBondContact O-CG 3.45Å; I314-K318 PolarHBondContact O-N 2.96Å; F315-K318 PolarHBondContact O-N 2.97Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.2Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 3.04Å; K318-H321 WeakPolarHBondContact O-CB 3.26Å; K318-H321 PolarHBondContact O-N 3.45Å; K318-H321 VanDerWaalsContact O-N 3.14Å
319R90.5Very high87.5Confident37 Ų3762 Ų6214%0.1429%0.29CS..Hα-helixtrans-64.2-31.3179.6-69.9-63.9-173.3172.3-1.4113.5E268 F315 L316 H321 Q322 V330E268-R319 PolarHBondContact O-NH2 3.46Å; E268-R319 VanDerWaalsContact OE1-CD 3.26Å; E268-R319 WeakPolarHBondContact OE1-CD 3.43Å; E268-R319 IonicContact OE1-CZ 2.64Å; E268-R319 IonicContact OE1-NE 3.66Å; E268-R319 PolarHBondContact OE1-NE 2.92Å; E268-R319 VanDerWaalsContact OE1-NE 3.09Å; E268-R319 IonicContact OE1-NH1 2.76Å; E268-R319 PolarHBondContact OE1-NH1 2.97Å; E268-R319 IonicContact OE1-NH2 3.28Å; F315-R319 HydrophobicContact CD1-CG 4.21Å; F315-R319 HydrophobicContact CE1-CG 3.78Å; F315-R319 HydrophobicContact CE2-CG 4.18Å; F315-R319 HydrophobicContact CZ-CG 3.76Å; F315-R319 WeakPolarHBondContact O-CG 3.38Å; F315-R319 PolarHBondContact O-N 3.3Å; L316-R319 PolarHBondContact O-N 3.09Å; R319-H321 PolarHBondContact O-N 2.67Å; R319-Q322 WeakPolarHBondContact O-CB 3.47Å; R319-Q322 PolarHBondContact O-N 3.14Å; R319-V330 HydrophobicContact CB-CG2 4.11Å
320L89.4Confident87.4Confident23 Ų2362 Ų6212%0.1229%0.29CS..Hα-helixtrans-66.5-19.1175.8-75.2170.5000113.9L316 E317 K318 Q322 V330 L378 K381 L382 L385L316-L320 HydrophobicContact CD1-CD1 3.92Å; L316-L320 HydrophobicContact CD1-CD2 4.4Å; L316-L320 HydrophobicContact CD1-CG 3.9Å; L316-L320 HydrophobicContact CG-CD1 4Å; L316-L320 HydrophobicContact CG-CG 4.4Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.36Å; L316-L320 PolarHBondContact O-N 2.83Å; E317-L320 PolarHBondContact O-N 3.42Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 3.04Å; L320-Q322 VanDerWaalsContact C-N 3.29Å; L320-V330 HydrophobicContact CD2-CG1 4.01Å; L320-V330 HydrophobicContact CD2-CG2 4.1Å; L320-L378 HydrophobicContact CD1-CD1 3.32Å; L320-K381 HydrophobicContact CD1-CB 4.41Å; L320-L382 HydrophobicContact CD1-CD2 4.16Å; L320-L385 HydrophobicContact CD2-CD1 3.56Å; L320-L385 HydrophobicContact CD2-CG 4.46Å
321H86.3Confident87.5Confident113 Ų11360.1 Ų60.152%0.52329%0.286SS..THydrogen-bonded Turntrans-77.8-17173.1-64.387.7000112.4E317 K318 R319 T323 K381E317-H321 PolarHBondContact O-CE1 3.02Å; E317-H321 VanDerWaalsContact O-CE1 3.29Å; E317-H321 PolarHBondContact O-ND1 3.24Å; K318-H321 WeakPolarHBondContact O-CB 3.26Å; K318-H321 PolarHBondContact O-N 3.45Å; K318-H321 VanDerWaalsContact O-N 3.14Å; R319-H321 PolarHBondContact O-N 2.67Å; H321-T323 PolarHBondContact O-N 3.22Å; H321-K381 PolarHBondContact CE1-NZ 3.38Å; H321-K381 PolarHBondContact NE2-NZ 2.99Å
322Q81.9Confident87.6Confident65 Ų6560.2 Ų60.230%0.30429%0.285SS..  trans-82.9110.6175.7-63.8171.6-5.800109E268 R319 L320 H324 L326E268-Q322 PolarHBondContact OE1-NE2 2.98Å; R319-Q322 WeakPolarHBondContact O-CB 3.47Å; R319-Q322 PolarHBondContact O-N 3.14Å; L320-Q322 VanDerWaalsContact C-N 3.29Å; Q322-H324 VanDerWaalsContact C-N 3.31Å; Q322-H324 PolarHBondContact O-N 3.24Å; Q322-L326 WeakPolarHBondContact O-CD2 3.48Å
323T72.1Confident87.6Confident109 Ų10960.2 Ų60.267%0.66929%0.285SS*.  trans-77.1-16.7-177.952.30000113.5H321H321-T323 PolarHBondContact O-N 3.22Å
324H76.6Confident87.8Confident153 Ų15360 Ų6071%0.70828%0.284SS*.SBendtrans-95.5142.4-179.2-60.3-71.8000111.5Q322 L326Q322-H324 VanDerWaalsContact C-N 3.31Å; Q322-H324 PolarHBondContact O-N 3.24Å; H324-L326 VanDerWaalsContact C-N 3.27Å; H324-L326 PolarHBondContact O-N 2.98Å
325R80Confident87.9Confident193 Ų19359.2 Ų59.273%0.72828%0.284SS*.SBendtrans5436.2176.3-55.4-173-174.3-177.72.6114.9K327 E328 S329R325-K327 PolarHBondContact O-N 3.35Å; R325-E328 PolarHBondContact O-N 3Å; R325-E328 VanDerWaalsContact O-N 3.1Å; R325-S329 PolarHBondContact O-N 3.44Å; R325-S329 VanDerWaalsContact O-N 3.11Å; R325-S329 PolarHBondContact O-OG 3.46Å
326L83.1Confident88Confident24 Ų2458.8 Ų58.813%0.12628%0.282CS..Hα-helixtrans-50.7-35.8179.8-77.6171.4000114Q322 H324 S329 V330 L385Q322-L326 WeakPolarHBondContact O-CD2 3.48Å; H324-L326 VanDerWaalsContact C-N 3.27Å; H324-L326 PolarHBondContact O-N 2.98Å; L326-S329 PolarHBondContact O-N 3.24Å; L326-V330 HydrophobicContact CD2-CG2 3.9Å; L326-V330 VanDerWaalsContact O-CB 3.29Å; L326-V330 WeakPolarHBondContact O-CB 3.31Å; L326-V330 PolarHBondContact O-N 2.78Å; L326-L385 HydrophobicContact CD1-CD2 4.27Å
327K86.4Confident88.1Confident91 Ų9158.8 Ų58.840%0.39628%0.282SS..Hα-helixtrans-56.2-53.5177.4174.2167.1165167.90112.2R325 A331 D390 D392 V393R325-K327 PolarHBondContact O-N 3.35Å; K327-A331 WeakPolarHBondContact O-CB 3.38Å; K327-A331 PolarHBondContact O-N 3.27Å; K327-D390 WeakPolarHBondContact CD-OD2 3.45Å; K327-D392 HydrophobicContact CD-CB 4.34Å; K327-D392 VanDerWaalsContact CE-OD2 3.31Å; K327-D392 WeakPolarHBondContact CE-OD2 3.26Å; K327-D392 IonicContact NZ-OD2 3.9Å; K327-D392 PolarHBondContact NZ-OD2 3.38Å; K327-V393 HydrophobicContact CB-CG2 3.8Å; K327-V393 HydrophobicContact CG-CG2 4.47Å
328E86.3Confident88.3Confident127 Ų12756.1 Ų56.159%0.59327%0.27SS*.Hα-helixtrans-72.2-33.3-178.5-65.4170.6-17400111.5R325 P332R325-E328 PolarHBondContact O-N 3Å; R325-E328 VanDerWaalsContact O-N 3.1Å; E328-P332 WeakPolarHBondContact O-CD 3.46Å
329S86.3Confident88.3Confident21 Ų2151.8 Ų51.815%0.14725%0.252CS..Hα-helixtrans-79.6-33.6-175.3-61.20000114.5R325 L326R325-S329 PolarHBondContact O-N 3.44Å; R325-S329 VanDerWaalsContact O-N 3.11Å; R325-S329 PolarHBondContact O-OG 3.46Å; L326-S329 PolarHBondContact O-N 3.24Å
330V91.4Very high88.4Confident1 Ų150.1 Ų50.11%0.00625%0.246CC..Hα-helixtrans-115.6-32.1-166.6176.90000112.7L316 R319 L320 L326 V333 L334 L385L316-V330 HydrophobicContact CD1-CG1 3.56Å; R319-V330 HydrophobicContact CB-CG2 4.11Å; L320-V330 HydrophobicContact CD2-CG1 4.01Å; L320-V330 HydrophobicContact CD2-CG2 4.1Å; L326-V330 HydrophobicContact CD2-CG2 3.9Å; L326-V330 VanDerWaalsContact O-CB 3.29Å; L326-V330 WeakPolarHBondContact O-CB 3.31Å; L326-V330 PolarHBondContact O-N 2.78Å; V330-V333 WeakPolarHBondContact O-CG1 3.39Å; V330-V333 PolarHBondContact O-N 3.45Å; V330-L334 HydrophobicContact CG1-CD1 3.54Å; V330-L334 HydrophobicContact CG1-CG 3.86Å; V330-L334 WeakPolarHBondContact O-CB 3.01Å; V330-L334 WeakPolarHBondContact O-CG 3.48Å; V330-L334 PolarHBondContact O-N 3.32Å; V330-L385 HydrophobicContact CG1-CD1 4.28Å
331A92.1Very high88.5Confident14 Ų1449 Ų4912%0.11624%0.24CC..Hα-helixtrans-63-40.1-177.100000114K327 L334 S335 V396K327-A331 WeakPolarHBondContact O-CB 3.38Å; K327-A331 PolarHBondContact O-N 3.27Å; A331-L334 PolarHBondContact O-N 2.83Å; A331-S335 WeakPolarHBondContact O-CB 3.49Å; A331-S335 PolarHBondContact O-N 2.87Å; A331-S335 PolarHBondContact O-OG 3.48Å; A331-V396 HydrophobicContact CB-CG2 3.97Å
332P93.3Very high88.7Confident28 Ų2846.2 Ų46.218%0.18223%0.225CC..Hα-helixtrans-62.7-48.5178.4-2637.8000112.4V275 N276 E328 L334 S335 V336V275-P332 HydrophobicContact CG1-CB 4.14Å; N276-P332 WeakPolarHBondContact OD1-CB 3.42Å; N276-P332 VanDerWaalsContact OD1-CG 3.31Å; N276-P332 WeakPolarHBondContact OD1-CG 3.42Å; E328-P332 WeakPolarHBondContact O-CD 3.46Å; P332-L334 PolarHBondContact O-N 3.48Å; P332-S335 PolarHBondContact O-N 2.97Å; P332-V336 WeakPolarHBondContact O-CG2 3.31Å; P332-V336 PolarHBondContact O-N 3.01Å
333V95.1Very high89Confident1 Ų147.9 Ų47.91%0.00623%0.234CC..Hα-helixtrans-63.7-40.6179610000112V275 L312 F315 L316 V330 S335 V336 L337V275-V333 HydrophobicContact CG1-CB 3.79Å; V275-V333 HydrophobicContact CG1-CG2 4.47Å; L312-V333 HydrophobicContact CB-CG2 4.41Å; F315-V333 HydrophobicContact CD1-CB 4.28Å; F315-V333 HydrophobicContact CD1-CG2 4.15Å; F315-V333 HydrophobicContact CE1-CB 4.46Å; L316-V333 HydrophobicContact CB-CG1 4.04Å; L316-V333 HydrophobicContact CB-CG2 3.97Å; L316-V333 HydrophobicContact CD1-CG1 3.73Å; L316-V333 HydrophobicContact CG-CG1 4.43Å; V330-V333 WeakPolarHBondContact O-CG1 3.39Å; V330-V333 PolarHBondContact O-N 3.45Å; V333-S335 VanDerWaalsContact C-N 3.33Å; V333-S335 PolarHBondContact O-N 2.88Å; V333-V336 PolarHBondContact O-N 3.39Å; V333-L337 HydrophobicContact CG2-CD1 3.95Å; V333-L337 HydrophobicContact CG2-CG 4.34Å; V333-L337 WeakPolarHBondContact O-CB 3.43Å; V333-L337 WeakPolarHBondContact O-CG 3.34Å; V333-L337 PolarHBondContact O-N 3.22Å
334L95Very high89.7Confident0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-63.7-40.6176.2-77177.8000111.5L316 V330 A331 P332 T338 L382 V396 A397 F400L316-L334 HydrophobicContact CD1-CD2 4.08Å; L316-L334 HydrophobicContact CD1-CG 4.13Å; L316-L334 HydrophobicContact CD2-CD2 3.68Å; V330-L334 HydrophobicContact CG1-CD1 3.54Å; V330-L334 HydrophobicContact CG1-CG 3.86Å; V330-L334 WeakPolarHBondContact O-CB 3.01Å; V330-L334 WeakPolarHBondContact O-CG 3.48Å; V330-L334 PolarHBondContact O-N 3.32Å; A331-L334 PolarHBondContact O-N 2.83Å; P332-L334 PolarHBondContact O-N 3.48Å; L334-T338 VanDerWaalsContact O-CB 3.25Å; L334-T338 WeakPolarHBondContact O-CB 3.39Å; L334-T338 PolarHBondContact O-N 2.96Å; L334-T338 PolarHBondContact O-OG1 3.39Å; L334-L382 HydrophobicContact CD1-CD2 4.47Å; L334-L382 HydrophobicContact CD2-CD2 3.98Å; L334-V396 HydrophobicContact CB-CB 4.4Å; L334-V396 HydrophobicContact CB-CG2 4.35Å; L334-V396 HydrophobicContact CD1-CG2 3.88Å; L334-A397 HydrophobicContact CD1-CB 4.21Å; L334-F400 HydrophobicContact CD2-CB 4.21Å; L334-F400 HydrophobicContact CD2-CD1 3.61Å; L334-F400 HydrophobicContact CD2-CE1 4.1Å; L334-F400 HydrophobicContact CD2-CG 3.93Å
335S93.3Very high90.2Very high46 Ų4643 Ų4332%0.32220%0.199SC..Hα-helixtrans-64.1-48.3178.9-56.60000110.8A331 P332 V333 L337 T338 E339A331-S335 WeakPolarHBondContact O-CB 3.49Å; A331-S335 PolarHBondContact O-N 2.87Å; A331-S335 PolarHBondContact O-OG 3.48Å; P332-S335 PolarHBondContact O-N 2.97Å; V333-S335 VanDerWaalsContact C-N 3.33Å; V333-S335 PolarHBondContact O-N 2.88Å; S335-L337 PolarHBondContact O-N 2.62Å; S335-T338 WeakPolarHBondContact O-CB 3.23Å; S335-T338 PolarHBondContact O-N 3.47Å; S335-E339 WeakPolarHBondContact O-CG 3.37Å; S335-E339 PolarHBondContact O-N 3.44Å
336V94.6Very high90.6Very high3 Ų335.1 Ų35.12%0.01817%0.173CC..Hα-helixtrans-60.2-47.4177.2174.70000111.5L278 L289 L312 P332 V333 T338 E339 C340L278-V336 HydrophobicContact CB-CG1 4.45Å; L278-V336 HydrophobicContact CB-CG2 3.8Å; L289-V336 HydrophobicContact CD1-CG1 4.04Å; L312-V336 HydrophobicContact CD1-CG1 4.16Å; P332-V336 WeakPolarHBondContact O-CG2 3.31Å; P332-V336 PolarHBondContact O-N 3.01Å; V333-V336 PolarHBondContact O-N 3.39Å; V336-T338 VanDerWaalsContact C-N 3.33Å; V336-T338 PolarHBondContact O-N 2.75Å; V336-E339 PolarHBondContact O-N 3.47Å; V336-C340 WeakPolarHBondContact O-CB 3.27Å; V336-C340 PolarHBondContact O-N 3.49Å; V336-C340 PolarHBondContact O-SG 2.75Å
337L94.9Very high90.9Very high0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-63.1-37.9177.8-74.8173.4000112.5I309 L312 L316 V333 S335 A341 L351 F400I309-L337 HydrophobicContact CG2-CD2 4.1Å; L312-L337 HydrophobicContact CB-CD2 3.85Å; L312-L337 HydrophobicContact CB-CG 4.31Å; L312-L337 HydrophobicContact CD1-CD2 4.24Å; L316-L337 HydrophobicContact CD2-CD1 4.01Å; V333-L337 HydrophobicContact CG2-CD1 3.95Å; V333-L337 HydrophobicContact CG2-CG 4.34Å; V333-L337 WeakPolarHBondContact O-CB 3.43Å; V333-L337 WeakPolarHBondContact O-CG 3.34Å; V333-L337 PolarHBondContact O-N 3.22Å; S335-L337 PolarHBondContact O-N 2.62Å; L337-A341 VanDerWaalsContact O-CB 3.31Å; L337-A341 WeakPolarHBondContact O-CB 3.14Å; L337-A341 PolarHBondContact O-N 2.78Å; L337-L351 HydrophobicContact CD2-CD1 4.39Å; L337-L351 HydrophobicContact CD2-CD2 4.31Å; L337-F400 HydrophobicContact CB-CD2 4.3Å; L337-F400 HydrophobicContact CB-CE2 3.7Å; L337-F400 HydrophobicContact CB-CZ 4.28Å; L337-F400 HydrophobicContact CD1-CZ 4.41Å
338T94.3Very high91.1Very high4 Ų430.8 Ų30.83%0.02515%0.152CC..Hα-helixtrans-62.2-47.6176.8-60.60000110.8L334 S335 V336 A341 R342 E399 F400 V403L334-T338 VanDerWaalsContact O-CB 3.25Å; L334-T338 WeakPolarHBondContact O-CB 3.39Å; L334-T338 PolarHBondContact O-N 2.96Å; L334-T338 PolarHBondContact O-OG1 3.39Å; S335-T338 WeakPolarHBondContact O-CB 3.23Å; S335-T338 PolarHBondContact O-N 3.47Å; V336-T338 VanDerWaalsContact C-N 3.33Å; V336-T338 PolarHBondContact O-N 2.75Å; T338-A341 PolarHBondContact O-N 3.06Å; T338-R342 WeakPolarHBondContact O-CB 3.48Å; T338-R342 PolarHBondContact O-N 2.89Å; T338-E399 HydrophobicContact CG2-CG 3.96Å; T338-F400 WeakPolarHBondContact OG1-CA 3.16Å; T338-F400 VanDerWaalsContact OG1-CB 3.32Å; T338-F400 WeakPolarHBondContact OG1-CB 3.27Å; T338-F400 WeakPolarHBondContact OG1-CD2 3.29Å; T338-V403 HydrophobicContact CG2-CB 4.23Å; T338-V403 HydrophobicContact CG2-CG2 3.78Å
339E91.9Very high91.2Very high35 Ų3526.6 Ų26.616%0.16413%0.132CC..Hα-helixtrans-70.7-38.6-177.6-64.6-54.7131.400111.8L283 L286 S335 V336 A341 R342 M343L283-E339 HydrophobicContact CD2-CB 4.01Å; L283-E339 HydrophobicContact CD2-CG 3.59Å; L286-E339 HydrophobicContact CD1-CB 4.02Å; S335-E339 WeakPolarHBondContact O-CG 3.37Å; S335-E339 PolarHBondContact O-N 3.44Å; V336-E339 PolarHBondContact O-N 3.47Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3.24Å; E339-R342 PolarHBondContact O-N 3.06Å; E339-R342 IonicContact OE1-CZ 3.88Å; E339-R342 IonicContact OE1-NE 3.78Å; E339-R342 PolarHBondContact OE1-NE 3.39Å; E339-R342 IonicContact OE1-NH2 3.24Å; E339-R342 IonicContact OE2-NE 2.69Å; E339-R342 PolarHBondContact OE2-NE 3.11Å; E339-M343 WeakPolarHBondContact O-CB 3.14Å; E339-M343 WeakPolarHBondContact O-CG 3.42Å; E339-M343 PolarHBondContact O-N 3.3Å
340C91.9Very high91.2Very high1 Ų126 Ų261%0.00713%0.127CC..Hα-helixtrans-58.1-43.2170.2-66.80000111.8I309 V336 H344I309-C340 HydrophobicContact CD1-CB 4.03Å; V336-C340 WeakPolarHBondContact O-CB 3.27Å; V336-C340 PolarHBondContact O-N 3.49Å; V336-C340 PolarHBondContact O-SG 2.75Å; C340-H344 WeakPolarHBondContact O-CB 3.29Å; C340-H344 PolarHBondContact O-N 2.91Å
341A91.6Very high91.1Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-70.6-33.4177.700000113L337 T338 E339 R348 L351 V403 L404L337-A341 VanDerWaalsContact O-CB 3.31Å; L337-A341 WeakPolarHBondContact O-CB 3.14Å; L337-A341 PolarHBondContact O-N 2.78Å; T338-A341 PolarHBondContact O-N 3.06Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3.24Å; A341-R348 HydrophobicContact CB-CB 4.11Å; A341-R348 HydrophobicContact CB-CG 4.35Å; A341-R348 WeakPolarHBondContact O-CB 3.13Å; A341-R348 PolarHBondContact O-NH1 3.25Å; A341-L351 HydrophobicContact CB-CD1 4.04Å; A341-V403 HydrophobicContact CB-CG1 3.9Å; A341-L404 HydrophobicContact CB-CD2 4.09Å
342R90.6Very high90.8Very high54 Ų5425.9 Ų25.920%0.20412%0.124CC..Hα-helixtrans-66-46.6176.4-167.2-171.9-63-90.2-2.5110.2T338 E339 E399 V403 E407T338-R342 WeakPolarHBondContact O-CB 3.48Å; T338-R342 PolarHBondContact O-N 2.89Å; E339-R342 PolarHBondContact O-N 3.06Å; E339-R342 IonicContact OE1-CZ 3.88Å; E339-R342 IonicContact OE1-NE 3.78Å; E339-R342 PolarHBondContact OE1-NE 3.39Å; E339-R342 IonicContact OE1-NH2 3.24Å; E339-R342 IonicContact OE2-NE 2.69Å; E339-R342 PolarHBondContact OE2-NE 3.11Å; R342-E399 IonicContact CZ-OE1 3.7Å; R342-E399 IonicContact NH1-OE1 3.93Å; R342-E399 IonicContact NH2-OE1 2.67Å; R342-E399 PolarHBondContact NH2-OE1 3.1Å; R342-V403 HydrophobicContact CB-CG1 4.15Å; R342-E407 IonicContact NH1-OE1 2.86Å; R342-E407 PolarHBondContact NH1-OE1 3.1Å
343M87.3Confident89.8Confident101 Ų10126 Ų2650%0.49813%0.127SC..Hα-helixtrans-78.4-38.8-175.9-65.1-59.3-70.300113.5E339E339-M343 WeakPolarHBondContact O-CB 3.14Å; E339-M343 WeakPolarHBondContact O-CG 3.42Å; E339-M343 PolarHBondContact O-N 3.3Å
344H87Confident87.8Confident54 Ų5431.3 Ų31.325%0.2515%0.152CC..  trans-116.4115.3-171.6-58.6-86.4000112.6L290 C340 A347 R348L290-H344 HydrophobicContact CD1-CB 3.57Å; L290-H344 WeakPolarHBondContact CD1-CD2 3.32Å; C340-H344 WeakPolarHBondContact O-CB 3.29Å; C340-H344 PolarHBondContact O-N 2.91Å; H344-A347 HydrophobicContact CB-CB 4.06Å; H344-A347 PolarHBondContact O-N 3.36Å; H344-R348 PolarHBondContact O-N 3.28Å
345R87.7Confident85.8Confident106 Ų10633.6 Ų33.640%0.418%0.176SC..Hα-helixtrans-55.7-43.6175.9-177.3-176.1-171.8-154.26.2113.1R348 K349 D443R345-R348 PolarHBondContact O-N 3.06Å; R345-K349 PolarHBondContact O-N 3.36Å; R345-D443 IonicContact NH2-OD2 3.08Å
346P88.7Confident83.7Confident27 Ų2742.7 Ų42.718%0.17520%0.203CC..Hα-helixtrans-59.7-45.4176.5-27.638.8000112.8M302 V304 M306 K349 F350M302-P346 HydrophobicContact CB-CB 4.32Å; M302-P346 HydrophobicContact CB-CG 4.44Å; V304-P346 HydrophobicContact CB-CB 4.25Å; V304-P346 HydrophobicContact CG2-CB 4.18Å; V304-P346 HydrophobicContact CG2-CG 4.01Å; M306-P346 VanDerWaalsContact CE-C 3.45Å; M306-P346 HydrophobicContact CE-CB 3.41Å; M306-P346 VanDerWaalsContact CE-CB 3.41Å; P346-K349 PolarHBondContact O-N 2.97Å; P346-F350 VanDerWaalsContact O-CB 3.23Å; P346-F350 WeakPolarHBondContact O-CB 3.23Å; P346-F350 PolarHBondContact O-N 2.65Å
347A89.8Confident81.6Confident0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-63.3-44.1178.600000111.9L290 H344 K349 F350 L351L290-A347 HydrophobicContact CD1-CB 4.08Å; L290-A347 HydrophobicContact CD2-CB 4.2Å; H344-A347 HydrophobicContact CB-CB 4.06Å; H344-A347 PolarHBondContact O-N 3.36Å; A347-K349 PolarHBondContact O-N 3.29Å; A347-F350 PolarHBondContact O-N 3.44Å; A347-L351 WeakPolarHBondContact O-CB 3.4Å; A347-L351 VanDerWaalsContact O-CG 3.31Å; A347-L351 WeakPolarHBondContact O-CG 3.4Å; A347-L351 PolarHBondContact O-N 3.23Å
348R90.4Very high79.6Confident23 Ų2349 Ų499%0.08724%0.244CC..Hα-helixtrans-59.3-48.3176.3-170.9170.158.4-104.65.9112.4A341 H344 R345 L351 K352 V403 L404 Y440A341-R348 HydrophobicContact CB-CB 4.11Å; A341-R348 HydrophobicContact CB-CG 4.35Å; A341-R348 WeakPolarHBondContact O-CB 3.13Å; A341-R348 PolarHBondContact O-NH1 3.25Å; H344-R348 PolarHBondContact O-N 3.28Å; R345-R348 PolarHBondContact O-N 3.06Å; R348-L351 PolarHBondContact O-N 2.66Å; R348-K352 VanDerWaalsContact O-CB 3.23Å; R348-K352 WeakPolarHBondContact O-CB 3.36Å; R348-K352 PolarHBondContact O-N 3.22Å; R348-V403 VanDerWaalsContact CD-O 3.26Å; R348-V403 WeakPolarHBondContact CD-O 3.26Å; R348-L404 HydrophobicContact CG-CD2 4.43Å; R348-Y440 VanDerWaalsContact CZ-CD1 3.47Å; R348-Y440 VanDerWaalsContact CZ-CE1 3.44Å
349K87.4Confident77.7Confident39 Ų3953 Ų5317%0.1727%0.27CS..Hα-helixtrans-67-39.6178.7-75.3-164178.6-1600111.1F301 M302 R345 P346 A347 L351 K352 A353 E444F301-K349 HydrophobicContact CE1-CB 3.63Å; F301-K349 HydrophobicContact CZ-CB 4.12Å; M302-K349 HydrophobicContact SD-CB 4.36Å; M302-K349 HydrophobicContact SD-CD 3.85Å; R345-K349 PolarHBondContact O-N 3.36Å; P346-K349 PolarHBondContact O-N 2.97Å; A347-K349 PolarHBondContact O-N 3.29Å; K349-L351 VanDerWaalsContact C-N 3.33Å; K349-L351 PolarHBondContact O-N 3.45Å; K349-K352 PolarHBondContact O-N 2.72Å; K349-A353 WeakPolarHBondContact O-CA 3.34Å; K349-A353 WeakPolarHBondContact O-CB 3.25Å; K349-A353 PolarHBondContact O-N 3.43Å; K349-E444 WeakPolarHBondContact CE-OE1 3.45Å; K349-E444 IonicContact NZ-OE1 2.77Å; K349-E444 PolarHBondContact NZ-OE1 3.47Å
350F87.5Confident76.7Confident9 Ų952.3 Ų52.34%0.03927%0.267CS..Hα-helixtrans-63.5-34.8174.8179-98.6000113.3V299 F301 M306 I309 R310 P346 A347 Q360V299-F350 HydrophobicContact CG1-CE2 3.87Å; V299-F350 HydrophobicContact CG1-CZ 4.21Å; F301-F350 HydrophobicContact CB-CB 4.41Å; F301-F350 HydrophobicContact CB-CD2 3.77Å; F301-F350 HydrophobicContact CB-CG 4.46Å; F301-F350 HydrophobicContact CD1-CB 3.84Å; F301-F350 HydrophobicContact CD1-CD2 4.49Å; F301-F350 HydrophobicContact CD2-CD2 4.07Å; F301-F350 HydrophobicContact CE1-CB 4.28Å; F301-F350 HydrophobicContact CG-CB 4.07Å; F301-F350 AromaticContact CG-CD2 3.87Å; F301-F350 HydrophobicContact CG-CD2 3.87Å; F301-F350 HydrophobicContact CG-CG 4.45Å; M306-F350 HydrophobicContact CB-CD1 4.01Å; M306-F350 HydrophobicContact CB-CD2 4.01Å; M306-F350 HydrophobicContact CB-CE1 3.85Å; M306-F350 HydrophobicContact CB-CE2 3.84Å; M306-F350 HydrophobicContact CB-CG 4.08Å; M306-F350 HydrophobicContact CB-CZ 3.76Å; M306-F350 HydrophobicContact CE-CB 4.28Å; M306-F350 HydrophobicContact CG-CB 4.17Å; M306-F350 HydrophobicContact CG-CD1 4.02Å; M306-F350 HydrophobicContact CG-CD2 3.72Å; M306-F350 HydrophobicContact CG-CE1 4.36Å; M306-F350 HydrophobicContact CG-CE2 4.07Å; M306-F350 HydrophobicContact CG-CG 3.68Å; M306-F350 HydrophobicContact CG-CZ 4.38Å; M306-F350 HydrophobicContact SD-CB 3.88Å; M306-F350 HydrophobicContact SD-CD1 3.99Å; M306-F350 HydrophobicContact SD-CD2 4.49Å; M306-F350 HydrophobicContact SD-CG 3.86Å; I309-F350 HydrophobicContact CG2-CD1 3.97Å; I309-F350 HydrophobicContact CG2-CE1 4.22Å; R310-F350 HydrophobicContact CB-CE1 4.49Å; R310-F350 HydrophobicContact CB-CZ 4.45Å; P346-F350 VanDerWaalsContact O-CB 3.23Å; P346-F350 WeakPolarHBondContact O-CB 3.23Å; P346-F350 PolarHBondContact O-N 2.65Å; A347-F350 PolarHBondContact O-N 3.44Å; F350-Q360 VanDerWaalsContact O-CG 3.27Å; F350-Q360 WeakPolarHBondContact O-CG 3.34Å; F350-Q360 PolarHBondContact O-OE1 2.75Å
351L89.8Confident76.4Confident0 Ų052.2 Ų52.20%027%0.266CS..Hα-helixtrans-77.3-29.6176.2-72.4165.5000112.4I309 L313 L337 A341 A347 R348 K349 V361 F400 L404I309-L351 HydrophobicContact CG2-CD1 4.14Å; I309-L351 HydrophobicContact CG2-CD2 3.7Å; I309-L351 HydrophobicContact CG2-CG 3.88Å; L313-L351 HydrophobicContact CD1-CD2 4.21Å; L313-L351 HydrophobicContact CD2-CD2 4.28Å; L337-L351 HydrophobicContact CD2-CD1 4.39Å; L337-L351 HydrophobicContact CD2-CD2 4.31Å; A341-L351 HydrophobicContact CB-CD1 4.04Å; A347-L351 WeakPolarHBondContact O-CB 3.4Å; A347-L351 VanDerWaalsContact O-CG 3.31Å; A347-L351 WeakPolarHBondContact O-CG 3.4Å; A347-L351 PolarHBondContact O-N 3.23Å; R348-L351 PolarHBondContact O-N 2.66Å; K349-L351 VanDerWaalsContact C-N 3.33Å; K349-L351 PolarHBondContact O-N 3.45Å; L351-V361 WeakPolarHBondContact O-CB 3.37Å; L351-V361 PolarHBondContact O-N 3.01Å; L351-F400 HydrophobicContact CD1-CE2 4.22Å; L351-L404 HydrophobicContact CB-CD1 4.3Å; L351-L404 HydrophobicContact CB-CD2 3.48Å; L351-L404 VanDerWaalsContact CB-CD2 3.48Å; L351-L404 HydrophobicContact CD1-CD2 4.15Å; L351-L404 HydrophobicContact CG-CD2 4.47Å
352K85.7Confident76.1Confident12 Ų1252.3 Ų52.35%0.05227%0.267CS..Hα-helixtrans-85.6-42-178.4-178.7-162.1171.4-160.50113.6R348 K349 L362 L404 E444R348-K352 VanDerWaalsContact O-CB 3.23Å; R348-K352 WeakPolarHBondContact O-CB 3.36Å; R348-K352 PolarHBondContact O-N 3.22Å; K349-K352 PolarHBondContact O-N 2.72Å; K352-L362 CarbonylContact O-C 3.48Å; K352-L404 WeakPolarHBondContact CD-O 3.32Å; K352-E444 IonicContact NZ-OE2 3.6Å; K352-E444 PolarHBondContact NZ-OE2 2.85Å
353A72.4Confident75.6Confident30 Ų3051.6 Ų51.625%0.24827%0.269CS..SBendtrans-71-173.1-160.600000114F301 K349 Q360F301-A353 HydrophobicContact CZ-CB 4.46Å; K349-A353 WeakPolarHBondContact O-CA 3.34Å; K349-A353 WeakPolarHBondContact O-CB 3.25Å; K349-A353 PolarHBondContact O-N 3.43Å; A353-Q360 VanDerWaalsContact N-OE1 3.1Å; A353-Q360 WeakPolarHBondContact O-CB 3.37Å; A353-Q360 PolarHBondContact O-OE1 2.97Å
354Q53.1Low75.2Confident113 Ų11348.4 Ų48.453%0.52826%0.256SS..  trans-124.4122.3171.9-178.3-177.916.800107.7P364Q354-P364 HydrophobicContact CB-CG 4.26Å
355G52.8Low74.8Confident49 Ų4946.3 Ų46.351%0.50525%0.246SC..  trans161126172.200000113.7Q360G355-Q360 PolarHBondContact O-NE2 2.83Å
356R48Very low74.3Confident236 Ų23648.9 Ų48.989%0.89126%0.256SS*.SBendtrans43.6149.2-173.2-97.8-163.3171.1175.3-2116.5
357P51.1Low73.7Confident110 Ų11051.3 Ų51.371%0.71427%0.268SS*.SBendtrans-56.2144.3178.821.6-31.3000111.7
358P52.2Low73.1Confident25 Ų2552 Ų5216%0.16227%0.272CS..SBendcis-90.4167.39.829.4-24.4000115.3R310 Q360R310-P358 VanDerWaalsContact CD-CD 3.46Å; R310-P358 HydrophobicContact CG-CG 3.5Å; P358-Q360 PolarHBondContact O-N 2.91Å
359P55.6Low72.6Confident90 Ų9060.7 Ų60.758%0.58431%0.305SS*.PPolyproline II helixtrans-57.1123.617822.5-33.7000112.1
360Q71.1Confident72.5Confident19 Ų1961.9 Ų61.99%0.08932%0.315CS..PPolyproline II helixtrans-86.6161.5179.4-66176.327.700111F350 A353 G355 P358F350-Q360 VanDerWaalsContact O-CG 3.27Å; F350-Q360 WeakPolarHBondContact O-CG 3.34Å; F350-Q360 PolarHBondContact O-OE1 2.75Å; A353-Q360 VanDerWaalsContact N-OE1 3.1Å; A353-Q360 WeakPolarHBondContact O-CB 3.37Å; A353-Q360 PolarHBondContact O-OE1 2.97Å; G355-Q360 PolarHBondContact O-NE2 2.83Å; P358-Q360 PolarHBondContact O-N 2.91Å
361V84.2Confident72.4Confident0 Ų066.3 Ų66.30%033%0.332CS..SBendtrans-69.8-42-161.3-175.20000113.2L313 L351 L378 R379 L382 F400 L401 L404L313-V361 HydrophobicContact CD1-CG2 3.8Å; L351-V361 WeakPolarHBondContact O-CB 3.37Å; L351-V361 PolarHBondContact O-N 3.01Å; V361-L378 HydrophobicContact CG2-CD2 3.92Å; V361-R379 WeakPolarHBondContact O-CB 3.36Å; V361-L382 HydrophobicContact CG1-CD1 3.52Å; V361-F400 HydrophobicContact CG1-CE1 4Å; V361-F400 HydrophobicContact CG2-CE1 3.98Å; V361-F400 HydrophobicContact CG2-CZ 4.03Å; V361-L401 HydrophobicContact CG1-CD2 3.8Å; V361-L404 HydrophobicContact CB-CD1 3.71Å; V361-L404 HydrophobicContact CG1-CD1 3.77Å; V361-L404 HydrophobicContact CG2-CD1 4.02Å
362L85.4Confident72.4Confident2 Ų266.4 Ų66.41%0.0133%0.332CS..SBendtrans-128.764.3-171.8-67.6-179.7000112.3K352 R379 L401 L404 Y415K352-L362 CarbonylContact O-C 3.48Å; L362-R379 HydrophobicContact CD2-CB 4.41Å; L362-R379 HydrophobicContact CD2-CG 3.88Å; L362-L401 HydrophobicContact CD1-CD2 4.22Å; L362-L401 HydrophobicContact CD2-CD2 4Å; L362-L401 HydrophobicContact CG-CD2 4.19Å; L362-L404 HydrophobicContact CD1-CB 3.89Å; L362-L404 HydrophobicContact CD1-CD1 4.37Å; L362-Y415 HydrophobicContact CB-CD1 4.3Å; L362-Y415 HydrophobicContact CB-CE1 4.31Å; L362-Y415 HydrophobicContact CD1-CG 4.44Å; L362-Y415 HydrophobicContact CD2-CD1 4.09Å; L362-Y415 HydrophobicContact CD2-CG 4.17Å
363P80.4Confident72.6Confident38 Ų3867.9 Ų67.925%0.24734%0.339CS..  trans-60.6150.8179.228-35000111.1L365 Y415P363-L365 PolarHBondContact O-N 3.37Å; P363-Y415 WeakPolarHBondContact O-CE1 3.47Å
364P80.2Confident73.3Confident34 Ų3470.4 Ų70.422%0.22135%0.352CS..  trans-48.7132.7174.5-26.734.5000111.9Q354 R366 T448Q354-P364 HydrophobicContact CB-CG 4.26Å; P364-R366 PolarHBondContact O-N 3Å; P364-T448 HydrophobicContact CB-CG2 3.51Å
365L78Confident75Confident10 Ų1066.5 Ų66.55%0.05234%0.341CS..  trans-71111.5-171-64.6-179.1000110.9P363 V368 K414 Y415 T448 Y451P363-L365 PolarHBondContact O-N 3.37Å; L365-V368 HydrophobicContact CB-CG1 4.47Å; L365-K414 HydrophobicContact CD1-CD 4.13Å; L365-K414 HydrophobicContact CD1-CG 3.5Å; L365-K414 VanDerWaalsContact CD1-CG 3.5Å; L365-K414 WeakPolarHBondContact CD1-O 3.4Å; L365-Y415 HydrophobicContact CD1-CD1 4.23Å; L365-Y415 HydrophobicContact CD1-CE1 4.34Å; L365-Y415 HydrophobicContact CD2-CD1 3.69Å; L365-Y415 HydrophobicContact CD2-CE1 3.81Å; L365-Y415 HydrophobicContact CG-CD1 3.9Å; L365-Y415 HydrophobicContact CG-CE1 3.68Å; L365-T448 WeakPolarHBondContact O-CG2 3.47Å; L365-T448 PolarHBondContact O-OG1 3.29Å; L365-Y451 HydrophobicContact CB-CD2 4.33Å; L365-Y451 HydrophobicContact CD1-CD2 4.01Å; L365-Y451 HydrophobicContact CD1-CE2 4.02Å
366R76.6Confident76.6Confident160 Ų16070.5 Ų70.560%0.60435%0.347SS*.  trans-98.2-39.2167.1-64-175.4-177.9176.4-2111.9P364P364-R366 PolarHBondContact O-N 3Å
367D76.9Confident78.6Confident79 Ų7965.2 Ų65.242%0.42233%0.334SS..  trans-91.2115.4173.6-175.38.6000110.7R369 T370D367-R369 PolarHBondContact OD1-N 2.98Å; D367-T370 VanDerWaalsContact CG-OG1 3.27Å; D367-T370 PolarHBondContact OD1-N 3Å; D367-T370 WeakPolarHBondContact OD2-CB 3.34Å; D367-T370 WeakPolarHBondContact OD2-CG2 3.48Å; D367-T370 PolarHBondContact OD2-OG1 3.07Å
368V76.6Confident80.4Confident15 Ų1560.5 Ų60.59%0.09130%0.303CS..  trans-117.15.4177.9-64.70000112L365 Y451 A454 I458 R464 V465L365-V368 HydrophobicContact CB-CG1 4.47Å; V368-Y451 HydrophobicContact CG1-CD2 3.76Å; V368-A454 HydrophobicContact CB-CB 4.47Å; V368-A454 HydrophobicContact CG2-CB 3.65Å; V368-I458 HydrophobicContact CB-CD1 4.14Å; V368-I458 HydrophobicContact CG1-CD1 4.15Å; V368-R464 CarbonylContact O-C 3.6Å; V368-R464 VanDerWaalsContact O-CA 3.31Å; V368-R464 WeakPolarHBondContact O-CA 3.33Å; V368-V465 HydrophobicContact CB-CG2 4.29Å; V368-V465 HydrophobicContact CG2-CG2 3.84Å; V368-V465 PolarHBondContact O-N 2.68Å
369R79.3Confident82.2Confident204 Ų20460.8 Ų60.877%0.7730%0.3SS*.SBendtrans-96.4-33.6-177.3-63.9-177.2179.2-174.8-0.2111.8D367 R464D367-R369 PolarHBondContact OD1-N 2.98Å; R369-R464 WeakPolarHBondContact O-CB 3.39Å
370T85.3Confident83.9Confident64 Ų6457 Ų5739%0.39328%0.275SS..SBendtrans-81.3151.5175.760.30000111.3D367D367-T370 VanDerWaalsContact CG-OG1 3.27Å; D367-T370 PolarHBondContact OD1-N 3Å; D367-T370 WeakPolarHBondContact OD2-CB 3.34Å; D367-T370 WeakPolarHBondContact OD2-CG2 3.48Å; D367-T370 PolarHBondContact OD2-OG1 3.07Å
371R86.8Confident84.9Confident103 Ų10357.1 Ų57.139%0.38928%0.276SS..  trans-71.5143.9175.7-66.2-170.7-177.9177.2-2.9110.3E373 V374 R464R371-E373 WeakPolarHBondContact CB-OE1 3.1Å; R371-E373 WeakPolarHBondContact CD-OE1 3.37Å; R371-E373 IonicContact NH1-OE1 2.87Å; R371-E373 PolarHBondContact O-N 3.2Å; R371-E373 VanDerWaalsContact O-N 3.11Å; R371-V374 HydrophobicContact CB-CG2 4.08Å; R371-V374 PolarHBondContact O-N 2.95Å; R371-R464 HydrophobicContact CG-CG 4.45Å
372P88.4Confident85.4Confident1 Ų157.1 Ų57.11%0.00628%0.276CS..THydrogen-bonded Turntrans-54.3-32.1-178.8-29.637.6000115.2N380 V383 T462P372-N380 WeakPolarHBondContact O-CA 3.08Å; P372-N380 PolarHBondContact O-ND2 3.14Å; P372-V383 HydrophobicContact CB-CG1 4.08Å; P372-V383 HydrophobicContact CB-CG2 4.45Å; P372-T462 WeakPolarHBondContact CD-O 3.31Å
373E89.6Confident85.8Confident43 Ų4357 Ų5720%0.20128%0.275CS..THydrogen-bonded Turntrans-80.6-10.3178.868.6-84-172.500114.7R371 V383 R384 N420R371-E373 WeakPolarHBondContact CB-OE1 3.1Å; R371-E373 WeakPolarHBondContact CD-OE1 3.37Å; R371-E373 IonicContact NH1-OE1 2.87Å; R371-E373 PolarHBondContact O-N 3.2Å; R371-E373 VanDerWaalsContact O-N 3.11Å; E373-V383 HydrophobicContact CB-CG1 3.97Å; E373-R384 HydrophobicContact CB-CG 3.93Å; E373-R384 WeakPolarHBondContact O-CD 3.42Å; E373-R384 WeakPolarHBondContact O-CG 3.35Å; E373-R384 PolarHBondContact O-NH1 2.93Å; E373-N420 PolarHBondContact OE2-ND2 3.35Å
374V88.8Confident86.4Confident84 Ų8459.5 Ų59.551%0.50928%0.28SS..SBendtrans-100.7127.3-176.9-179.80000110.2R371 N380R371-V374 HydrophobicContact CB-CG2 4.08Å; R371-V374 PolarHBondContact O-N 2.95Å; V374-N380 PolarHBondContact O-ND2 2.86Å; V374-N380 VanDerWaalsContact O-ND2 3.1Å
375G87.7Confident87Confident30 Ų3058.5 Ų58.531%0.30927%0.272SS..SBendtrans130.3174.6-178.700000113.2N380 R384G375-N380 WeakPolarHBondContact CA-OD1 3.26Å; G375-N380 WeakPolarHBondContact O-CB 3.49Å; G375-R384 PolarHBondContact O-NH1 3.4Å; G375-R384 PolarHBondContact O-NH2 3.19Å
376E87.5Confident87.8Confident133 Ų13358.6 Ų58.662%0.62127%0.273SS*.SBendtrans-107.30.4-176.5-72.1-53.4124.600114.3K381 R384E376-K381 VanDerWaalsContact O-CE 3.26Å; E376-K381 WeakPolarHBondContact O-CE 3.19Å; E376-K381 WeakPolarHBondContact OE2-CE 3.2Å; E376-K381 IonicContact OE2-NZ 3.11Å; E376-R384 IonicContact OE1-NH2 3.71Å
377M88.3Confident88.5Confident126 Ų12655.2 Ų55.262%0.62127%0.27SS*.SBendtrans-68155.2174.6-56.9-173.3177.400110.6R379 N380 K381M377-R379 PolarHBondContact O-N 2.63Å; M377-N380 VanDerWaalsContact CB-OD1 3.31Å; M377-N380 WeakPolarHBondContact CB-OD1 3.36Å; M377-N380 PolarHBondContact N-OD1 3.32Å; M377-N380 VanDerWaalsContact N-OD1 3.12Å; M377-N380 WeakPolarHBondContact O-CB 3.34Å; M377-N380 PolarHBondContact O-N 3.06Å; M377-K381 PolarHBondContact O-N 3.41Å; M377-K381 VanDerWaalsContact O-N 3.12Å
378L89.3Confident89.2Confident10 Ų1054.6 Ų54.65%0.05226%0.264CS..Hα-helixtrans-54-39.4177-176.559.6000112.2L313 L320 V361 N380 K381 L382L313-L378 HydrophobicContact CD1-CD2 3.57Å; L313-L378 HydrophobicContact CG-CD2 4.25Å; L320-L378 HydrophobicContact CD1-CD1 3.32Å; V361-L378 HydrophobicContact CG2-CD2 3.92Å; L378-N380 PolarHBondContact O-N 3.12Å; L378-K381 PolarHBondContact O-N 3.12Å; L378-L382 HydrophobicContact CD1-CD1 4.26Å; L378-L382 HydrophobicContact CD1-CG 4.22Å; L378-L382 HydrophobicContact CG-CD1 4.01Å; L378-L382 HydrophobicContact CG-CG 4.41Å; L378-L382 WeakPolarHBondContact O-CG 3.19Å; L378-L382 PolarHBondContact O-N 3.44Å
379R90.7Very high89.8Confident31 Ų3161.9 Ų61.912%0.11730%0.302CS..Hα-helixtrans-49.6-54.3170.6178.4179.2162.9-137.6-0.2111.8V361 L362 M377 K381 L382 V383 Y415V361-R379 WeakPolarHBondContact O-CB 3.36Å; L362-R379 HydrophobicContact CD2-CB 4.41Å; L362-R379 HydrophobicContact CD2-CG 3.88Å; M377-R379 PolarHBondContact O-N 2.63Å; R379-K381 VanDerWaalsContact C-N 3.33Å; R379-K381 PolarHBondContact O-N 3.36Å; R379-L382 PolarHBondContact O-N 3.32Å; R379-V383 HydrophobicContact CG-CG2 4.33Å; R379-V383 VanDerWaalsContact O-CG2 3.29Å; R379-V383 WeakPolarHBondContact O-CG2 3.35Å; R379-V383 PolarHBondContact O-N 3.3Å; R379-Y415 VanDerWaalsContact CZ-O 3.25Å; R379-Y415 PolarHBondContact NE-O 3.12Å; R379-Y415 PolarHBondContact NH2-O 2.85Å
380N90.9Very high90.3Very high11 Ų1154.3 Ų54.36%0.05928%0.276CS..Hα-helixtrans-63.7-43.4-174.5-51.1120.3000110.7P372 V374 G375 M377 L378 L382 V383 R384P372-N380 WeakPolarHBondContact O-CA 3.08Å; P372-N380 PolarHBondContact O-ND2 3.14Å; V374-N380 PolarHBondContact O-ND2 2.86Å; V374-N380 VanDerWaalsContact O-ND2 3.1Å; G375-N380 WeakPolarHBondContact CA-OD1 3.26Å; G375-N380 WeakPolarHBondContact O-CB 3.49Å; M377-N380 VanDerWaalsContact CB-OD1 3.31Å; M377-N380 WeakPolarHBondContact CB-OD1 3.36Å; M377-N380 PolarHBondContact N-OD1 3.32Å; M377-N380 VanDerWaalsContact N-OD1 3.12Å; M377-N380 WeakPolarHBondContact O-CB 3.34Å; M377-N380 PolarHBondContact O-N 3.06Å; L378-N380 PolarHBondContact O-N 3.12Å; N380-L382 PolarHBondContact O-N 3.38Å; N380-V383 PolarHBondContact O-N 3.31Å; N380-R384 WeakPolarHBondContact O-CG 3.31Å; N380-R384 PolarHBondContact O-N 2.92Å
381K92.4Very high90.6Very high22 Ų2255.2 Ų55.210%0.09628%0.282CS..Hα-helixtrans-58.6-45.4176.4-67.3176-179.1173.60111.5L320 H321 E376 M377 L378 R379 R384 L385L320-K381 HydrophobicContact CD1-CB 4.41Å; H321-K381 PolarHBondContact CE1-NZ 3.38Å; H321-K381 PolarHBondContact NE2-NZ 2.99Å; E376-K381 VanDerWaalsContact O-CE 3.26Å; E376-K381 WeakPolarHBondContact O-CE 3.19Å; E376-K381 WeakPolarHBondContact OE2-CE 3.2Å; E376-K381 IonicContact OE2-NZ 3.11Å; M377-K381 PolarHBondContact O-N 3.41Å; M377-K381 VanDerWaalsContact O-N 3.12Å; L378-K381 PolarHBondContact O-N 3.12Å; R379-K381 VanDerWaalsContact C-N 3.33Å; R379-K381 PolarHBondContact O-N 3.36Å; K381-R384 PolarHBondContact O-N 3.12Å; K381-L385 PolarHBondContact O-N 3.42Å
382L93.6Very high90.7Very high0 Ų052.6 Ų52.60%028%0.276CS..Hα-helixtrans-69.6-38.1178.1-68.1172.2000113L320 L334 V361 L378 R379 N380 R384 L385 M386 F400 L401L320-L382 HydrophobicContact CD1-CD2 4.16Å; L334-L382 HydrophobicContact CD1-CD2 4.47Å; L334-L382 HydrophobicContact CD2-CD2 3.98Å; V361-L382 HydrophobicContact CG1-CD1 3.52Å; L378-L382 HydrophobicContact CD1-CD1 4.26Å; L378-L382 HydrophobicContact CD1-CG 4.22Å; L378-L382 HydrophobicContact CG-CD1 4.01Å; L378-L382 HydrophobicContact CG-CG 4.41Å; L378-L382 WeakPolarHBondContact O-CG 3.19Å; L378-L382 PolarHBondContact O-N 3.44Å; R379-L382 PolarHBondContact O-N 3.32Å; N380-L382 PolarHBondContact O-N 3.38Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 2.91Å; L382-L385 HydrophobicContact CD2-CD1 4.31Å; L382-L385 WeakPolarHBondContact O-CB 3.25Å; L382-L385 PolarHBondContact O-N 2.9Å; L382-L385 VanDerWaalsContact O-N 3.09Å; L382-M386 PolarHBondContact O-N 2.94Å; L382-F400 HydrophobicContact CD1-CD1 4.06Å; L382-F400 HydrophobicContact CD1-CE1 3.94Å; L382-L401 HydrophobicContact CB-CD1 4.13Å; L382-L401 HydrophobicContact CB-CD2 4.37Å; L382-L401 HydrophobicContact CB-CG 4.48Å; L382-L401 HydrophobicContact CD1-CD2 4.03Å
383V93.8Very high90.9Very high0 Ų052.7 Ų52.70%028%0.276CS..Hα-helixtrans-63.7-38.7175.2175.10000110.8P372 E373 R379 N380 L385 M386 L401 T416 N420P372-V383 HydrophobicContact CB-CG1 4.08Å; P372-V383 HydrophobicContact CB-CG2 4.45Å; E373-V383 HydrophobicContact CB-CG1 3.97Å; R379-V383 HydrophobicContact CG-CG2 4.33Å; R379-V383 VanDerWaalsContact O-CG2 3.29Å; R379-V383 WeakPolarHBondContact O-CG2 3.35Å; R379-V383 PolarHBondContact O-N 3.3Å; N380-V383 PolarHBondContact O-N 3.31Å; V383-L385 PolarHBondContact O-N 3Å; V383-M386 HydrophobicContact CG2-SD 4.46Å; V383-M386 WeakPolarHBondContact O-CB 3.43Å; V383-M386 PolarHBondContact O-N 3.46Å; V383-L401 HydrophobicContact CG2-CD1 4.1Å; V383-T416 HydrophobicContact CG2-CG2 4.14Å; V383-N420 HydrophobicContact CG1-CB 4.13Å; V383-N420 WeakPolarHBondContact CG1-ND2 3.39Å
384R93.3Very high91Very high90 Ų9054.7 Ų54.734%0.3428%0.284SS..Hα-helixtrans-59.1-32.7172.3-73.8-169.6-70.6-108.816.4112.8E373 G375 E376 N380 K381 L382 M386 T387E373-R384 HydrophobicContact CB-CG 3.93Å; E373-R384 WeakPolarHBondContact O-CD 3.42Å; E373-R384 WeakPolarHBondContact O-CG 3.35Å; E373-R384 PolarHBondContact O-NH1 2.93Å; G375-R384 PolarHBondContact O-NH1 3.4Å; G375-R384 PolarHBondContact O-NH2 3.19Å; E376-R384 IonicContact OE1-NH2 3.71Å; N380-R384 WeakPolarHBondContact O-CG 3.31Å; N380-R384 PolarHBondContact O-N 2.92Å; K381-R384 PolarHBondContact O-N 3.12Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 2.91Å; R384-M386 VanDerWaalsContact C-N 3.29Å; R384-M386 PolarHBondContact O-N 3.43Å; R384-T387 PolarHBondContact O-N 2.69Å; R384-T387 PolarHBondContact O-OG1 2.87Å
385L93.5Very high91.2Very high12 Ų1257.4 Ų57.46%0.06329%0.285CS..Hα-helixtrans-70-24.2176.9-66-175.7000113.2L320 L326 V330 K381 L382 V383 T387 H388 V393 K394 A397L320-L385 HydrophobicContact CD2-CD1 3.56Å; L320-L385 HydrophobicContact CD2-CG 4.46Å; L326-L385 HydrophobicContact CD1-CD2 4.27Å; V330-L385 HydrophobicContact CG1-CD1 4.28Å; K381-L385 PolarHBondContact O-N 3.42Å; L382-L385 HydrophobicContact CD2-CD1 4.31Å; L382-L385 WeakPolarHBondContact O-CB 3.25Å; L382-L385 PolarHBondContact O-N 2.9Å; L382-L385 VanDerWaalsContact O-N 3.09Å; V383-L385 PolarHBondContact O-N 3Å; L385-T387 PolarHBondContact O-N 3.47Å; L385-H388 WeakPolarHBondContact O-CB 3.47Å; L385-H388 PolarHBondContact O-N 3.2Å; L385-V393 HydrophobicContact CB-CG1 4.16Å; L385-V393 HydrophobicContact CD1-CG1 4.23Å; L385-V393 HydrophobicContact CD2-CG1 3.96Å; L385-V393 HydrophobicContact CG-CG1 4.35Å; L385-K394 VanDerWaalsContact O-CA 3.31Å; L385-K394 WeakPolarHBondContact O-CA 3.41Å; L385-A397 HydrophobicContact CB-CB 3.71Å; L385-A397 HydrophobicContact CD1-CB 4.4Å
386M94.1Very high91.5Very high13 Ų1356.4 Ų56.46%0.06427%0.274CS..THydrogen-bonded Turntrans-65.3-19.5179.6-60.8176.563.600113.1L382 V383 R384 A398 L401 F412 T416 N420L382-M386 PolarHBondContact O-N 2.94Å; V383-M386 HydrophobicContact CG2-SD 4.46Å; V383-M386 WeakPolarHBondContact O-CB 3.43Å; V383-M386 PolarHBondContact O-N 3.46Å; R384-M386 VanDerWaalsContact C-N 3.29Å; R384-M386 PolarHBondContact O-N 3.43Å; M386-A398 HydrophobicContact CE-CB 3.84Å; M386-A398 HydrophobicContact CG-CB 4.15Å; M386-L401 HydrophobicContact SD-CD1 3.75Å; M386-F412 HydrophobicContact CE-CE1 4.2Å; M386-F412 HydrophobicContact CE-CE2 4.09Å; M386-F412 HydrophobicContact CE-CZ 3.43Å; M386-F412 VanDerWaalsContact CE-CZ 3.43Å; M386-T416 HydrophobicContact CE-CG2 4.27Å; M386-T416 HydrophobicContact SD-CG2 3.82Å; M386-N420 HydrophobicContact CE-CB 4.37Å; M386-N420 WeakPolarHBondContact CE-O 3.34Å; M386-N420 HydrophobicContact SD-CB 4.43Å
387T91.3Very high91.9Very high88 Ų8850.1 Ų50.154%0.5424%0.244SC..THydrogen-bonded Turntrans-111.616.4176.454.80000112.4R384 L385 N420R384-T387 PolarHBondContact O-N 2.69Å; R384-T387 PolarHBondContact O-OG1 2.87Å; L385-T387 PolarHBondContact O-N 3.47Å; T387-N420 WeakPolarHBondContact CG2-OD1 3.45Å
388H91.6Very high92.2Very high66 Ų6644.3 Ų44.331%0.30622%0.216SC..  trans-66.1152.2176-168.9-96.5000112L385 D390 V393L385-H388 WeakPolarHBondContact O-CB 3.47Å; L385-H388 PolarHBondContact O-N 3.2Å; H388-D390 VanDerWaalsContact C-N 3.33Å; H388-D390 VanDerWaalsContact ND1-CB 3.27Å; H388-D390 WeakPolarHBondContact ND1-CB 3.24Å; H388-D390 PolarHBondContact ND1-N 2.88Å; H388-D390 PolarHBondContact O-N 3.22Å; H388-V393 HydrophobicContact CB-CG1 4.27Å
389L89.6Confident92.5Very high169 Ų16944.9 Ų44.989%0.88522%0.219SC*.SBendtrans-65.2-36.3-178.8-64.5173.6000112.5T391L389-T391 PolarHBondContact O-N 3.42Å
390D90.8Very high92.7Very high44 Ų4443.4 Ų43.424%0.23521%0.213CC..SBendtrans-71.8123.4177-170.1-64.1000111.5K327 H388 D392 V393 K394K327-D390 WeakPolarHBondContact CD-OD2 3.45Å; H388-D390 VanDerWaalsContact C-N 3.33Å; H388-D390 VanDerWaalsContact ND1-CB 3.27Å; H388-D390 WeakPolarHBondContact ND1-CB 3.24Å; H388-D390 PolarHBondContact ND1-N 2.88Å; H388-D390 PolarHBondContact O-N 3.22Å; D390-D392 VanDerWaalsContact C-N 3.33Å; D390-D392 PolarHBondContact O-N 3.09Å; D390-D392 WeakPolarHBondContact OD1-CA 3.31Å; D390-D392 WeakPolarHBondContact OD1-CB 3.22Å; D390-D392 PolarHBondContact OD1-N 3.06Å; D390-V393 HydrophobicContact CB-CB 4.12Å; D390-V393 HydrophobicContact CB-CG2 3.94Å; D390-V393 PolarHBondContact OD1-N 3.16Å; D390-V393 VanDerWaalsContact OD1-N 3.14Å; D390-K394 PolarHBondContact O-N 3.33Å; D390-K394 VanDerWaalsContact O-N 3.13Å
391T90.2Very high92.9Very high83 Ų8342.9 Ų42.951%0.50921%0.21SC..Hα-helixtrans-70-26.8-175.651.90000114.2L389 K394 R395L389-T391 PolarHBondContact O-N 3.42Å; T391-K394 WeakPolarHBondContact O-CG 3.49Å; T391-R395 VanDerWaalsContact O-CB 3.26Å; T391-R395 WeakPolarHBondContact O-CB 3.35Å; T391-R395 PolarHBondContact O-N 3.42Å
392D90.1Very high92.9Very high49 Ų4941.9 Ų41.926%0.26221%0.206SC..Hα-helixtrans-77.2-46.7177.5-68.8-43.1000109.9K327 D390 K394 R395 V396K327-D392 HydrophobicContact CD-CB 4.34Å; K327-D392 VanDerWaalsContact CE-OD2 3.31Å; K327-D392 WeakPolarHBondContact CE-OD2 3.26Å; K327-D392 IonicContact NZ-OD2 3.9Å; K327-D392 PolarHBondContact NZ-OD2 3.38Å; D390-D392 VanDerWaalsContact C-N 3.33Å; D390-D392 PolarHBondContact O-N 3.09Å; D390-D392 WeakPolarHBondContact OD1-CA 3.31Å; D390-D392 WeakPolarHBondContact OD1-CB 3.22Å; D390-D392 PolarHBondContact OD1-N 3.06Å; D392-K394 PolarHBondContact O-N 2.93Å; D392-R395 PolarHBondContact O-N 3.44Å; D392-R395 VanDerWaalsContact O-N 3.16Å; D392-R395 IonicContact OD1-NH2 3.23Å; D392-V396 WeakPolarHBondContact O-CG2 3.46Å; D392-V396 PolarHBondContact O-N 3.44Å
393V92Very high92.9Very high2 Ų241.9 Ų41.91%0.01221%0.206CC..Hα-helixtrans-57.7-48178.1177.20000111.3K327 L385 H388 D390 R395 V396 A397K327-V393 HydrophobicContact CB-CG2 3.8Å; K327-V393 HydrophobicContact CG-CG2 4.47Å; L385-V393 HydrophobicContact CB-CG1 4.16Å; L385-V393 HydrophobicContact CD1-CG1 4.23Å; L385-V393 HydrophobicContact CD2-CG1 3.96Å; L385-V393 HydrophobicContact CG-CG1 4.35Å; H388-V393 HydrophobicContact CB-CG1 4.27Å; D390-V393 HydrophobicContact CB-CB 4.12Å; D390-V393 HydrophobicContact CB-CG2 3.94Å; D390-V393 PolarHBondContact OD1-N 3.16Å; D390-V393 VanDerWaalsContact OD1-N 3.14Å; V393-R395 VanDerWaalsContact C-N 3.29Å; V393-R395 PolarHBondContact O-N 2.83Å; V393-V396 WeakPolarHBondContact O-CG2 3.45Å; V393-A397 WeakPolarHBondContact O-CB 3.32Å; V393-A397 PolarHBondContact O-N 3.42Å
394K92.4Very high92.8Very high86 Ų8641.9 Ų41.937%0.37421%0.206SC..Hα-helixtrans-62.5-38.5179.176.9-173.2-173.2-170.80112.1L385 D390 T391 D392 A398L385-K394 VanDerWaalsContact O-CA 3.31Å; L385-K394 WeakPolarHBondContact O-CA 3.41Å; D390-K394 PolarHBondContact O-N 3.33Å; D390-K394 VanDerWaalsContact O-N 3.13Å; T391-K394 WeakPolarHBondContact O-CG 3.49Å; D392-K394 PolarHBondContact O-N 2.93Å; K394-A398 WeakPolarHBondContact O-CB 3.47Å; K394-A398 PolarHBondContact O-N 3.18Å; K394-A398 VanDerWaalsContact O-N 3.09Å
395R92.8Very high92.6Very high140 Ų14037.6 Ų37.653%0.52819%0.19SC..Hα-helixtrans-68.2-50.4-179-179.7179.762.891.8-0.2111T391 D392 V393 A398 E399T391-R395 VanDerWaalsContact O-CB 3.26Å; T391-R395 WeakPolarHBondContact O-CB 3.35Å; T391-R395 PolarHBondContact O-N 3.42Å; D392-R395 PolarHBondContact O-N 3.44Å; D392-R395 VanDerWaalsContact O-N 3.16Å; D392-R395 IonicContact OD1-NH2 3.23Å; V393-R395 VanDerWaalsContact C-N 3.29Å; V393-R395 PolarHBondContact O-N 2.83Å; R395-A398 PolarHBondContact O-N 3.06Å; R395-E399 VanDerWaalsContact O-CB 3.24Å; R395-E399 WeakPolarHBondContact O-CB 3.31Å; R395-E399 PolarHBondContact O-N 3.13Å
396V94.1Very high92.4Very high10 Ų1038.1 Ų38.16%0.06119%0.194CC..Hα-helixtrans-67.5-36.9-177.8-610000112.3A331 L334 D392 V393 F400A331-V396 HydrophobicContact CB-CG2 3.97Å; L334-V396 HydrophobicContact CB-CB 4.4Å; L334-V396 HydrophobicContact CB-CG2 4.35Å; L334-V396 HydrophobicContact CD1-CG2 3.88Å; D392-V396 WeakPolarHBondContact O-CG2 3.46Å; D392-V396 PolarHBondContact O-N 3.44Å; V393-V396 WeakPolarHBondContact O-CG2 3.45Å; V396-F400 WeakPolarHBondContact O-CB 3.44Å; V396-F400 PolarHBondContact O-N 3.07Å
397A95.2Very high92.1Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-66.2-45.8175.800000111.8L334 L385 V393 L401L334-A397 HydrophobicContact CD1-CB 4.21Å; L385-A397 HydrophobicContact CB-CB 3.71Å; L385-A397 HydrophobicContact CD1-CB 4.4Å; V393-A397 WeakPolarHBondContact O-CB 3.32Å; V393-A397 PolarHBondContact O-N 3.42Å; A397-L401 WeakPolarHBondContact O-CG 3.39Å; A397-L401 PolarHBondContact O-N 3.45Å
398A95.1Very high92Very high5 Ų536.4 Ų36.44%0.04118%0.184CC..Hα-helixtrans-65.1-41.7177.600000111.7M386 K394 R395 L401 F402 F412 L424M386-A398 HydrophobicContact CE-CB 3.84Å; M386-A398 HydrophobicContact CG-CB 4.15Å; K394-A398 WeakPolarHBondContact O-CB 3.47Å; K394-A398 PolarHBondContact O-N 3.18Å; K394-A398 VanDerWaalsContact O-N 3.09Å; R395-A398 PolarHBondContact O-N 3.06Å; A398-L401 PolarHBondContact O-N 3.05Å; A398-F402 VanDerWaalsContact O-CB 3.31Å; A398-F402 WeakPolarHBondContact O-CB 3.43Å; A398-F402 PolarHBondContact O-N 3.18Å; A398-F412 HydrophobicContact CB-CZ 4.5Å; A398-L424 HydrophobicContact CB-CB 3.91Å; A398-L424 HydrophobicContact CB-CD1 4.08Å; A398-L424 HydrophobicContact CB-CD2 3.97Å; A398-L424 HydrophobicContact CB-CG 4.2Å
399E94.6Very high91.8Very high21 Ų2134.2 Ų34.210%0.09818%0.175CC..Hα-helixtrans-61.3-46.4177.7-172.561.6-159.900111.9T338 R342 R395 L401 F402 V403 R428T338-E399 HydrophobicContact CG2-CG 3.96Å; R342-E399 IonicContact CZ-OE1 3.7Å; R342-E399 IonicContact NH1-OE1 3.93Å; R342-E399 IonicContact NH2-OE1 2.67Å; R342-E399 PolarHBondContact NH2-OE1 3.1Å; R395-E399 VanDerWaalsContact O-CB 3.24Å; R395-E399 WeakPolarHBondContact O-CB 3.31Å; R395-E399 PolarHBondContact O-N 3.13Å; E399-L401 PolarHBondContact O-N 3.35Å; E399-F402 PolarHBondContact O-N 2.93Å; E399-V403 WeakPolarHBondContact O-CG2 3.38Å; E399-V403 PolarHBondContact O-N 3.47Å; E399-R428 VanDerWaalsContact CD-NH1 3.29Å; E399-R428 IonicContact OE1-CZ 3.87Å; E399-R428 VanDerWaalsContact OE1-CZ 3.23Å; E399-R428 IonicContact OE1-NH1 2.73Å; E399-R428 PolarHBondContact OE1-NH1 3.13Å; E399-R428 IonicContact OE1-NH2 3.23Å; E399-R428 PolarHBondContact OE1-NH2 3.45Å; E399-R428 IonicContact OE2-CZ 3.18Å; E399-R428 IonicContact OE2-NE 2.71Å; E399-R428 IonicContact OE2-NH1 2.79Å; E399-R428 PolarHBondContact OE2-NH1 2.84Å; E399-R428 IonicContact OE2-NH2 4Å; E399-R428 PolarHBondContact OE2-NH2 3.23Å
400F95.8Very high91.6Very high0 Ų030.8 Ų30.80%016%0.163CC..Hα-helixtrans-56-52.3177.3178.3-123.7000111.5L334 L337 T338 L351 V361 L382 V396 F402 V403 L404L334-F400 HydrophobicContact CD2-CB 4.21Å; L334-F400 HydrophobicContact CD2-CD1 3.61Å; L334-F400 HydrophobicContact CD2-CE1 4.1Å; L334-F400 HydrophobicContact CD2-CG 3.93Å; L337-F400 HydrophobicContact CB-CD2 4.3Å; L337-F400 HydrophobicContact CB-CE2 3.7Å; L337-F400 HydrophobicContact CB-CZ 4.28Å; L337-F400 HydrophobicContact CD1-CZ 4.41Å; T338-F400 WeakPolarHBondContact OG1-CA 3.16Å; T338-F400 VanDerWaalsContact OG1-CB 3.32Å; T338-F400 WeakPolarHBondContact OG1-CB 3.27Å; T338-F400 WeakPolarHBondContact OG1-CD2 3.29Å; L351-F400 HydrophobicContact CD1-CE2 4.22Å; V361-F400 HydrophobicContact CG1-CE1 4Å; V361-F400 HydrophobicContact CG2-CE1 3.98Å; V361-F400 HydrophobicContact CG2-CZ 4.03Å; L382-F400 HydrophobicContact CD1-CD1 4.06Å; L382-F400 HydrophobicContact CD1-CE1 3.94Å; V396-F400 WeakPolarHBondContact O-CB 3.44Å; V396-F400 PolarHBondContact O-N 3.07Å; F400-F402 VanDerWaalsContact C-N 3.29Å; F400-F402 PolarHBondContact O-N 3.14Å; F400-V403 PolarHBondContact O-N 3.42Å; F400-L404 HydrophobicContact CD1-CD1 4.37Å; F400-L404 HydrophobicContact CD2-CG 4.43Å; F400-L404 HydrophobicContact CE1-CD1 3.86Å; F400-L404 HydrophobicContact CE2-CD1 4.08Å; F400-L404 HydrophobicContact CE2-CD2 4.2Å; F400-L404 HydrophobicContact CE2-CG 4.14Å; F400-L404 HydrophobicContact CZ-CD1 3.7Å; F400-L404 HydrophobicContact CZ-CG 4.28Å; F400-L404 WeakPolarHBondContact O-CG 3.39Å; F400-L404 PolarHBondContact O-N 3.48Å
401L94.6Very high91.4Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-63.7-34.8179.3-67.1-178.2000112.4V361 L362 L382 V383 M386 A397 A398 E399 L404 C405 F412 T416V361-L401 HydrophobicContact CG1-CD2 3.8Å; L362-L401 HydrophobicContact CD1-CD2 4.22Å; L362-L401 HydrophobicContact CD2-CD2 4Å; L362-L401 HydrophobicContact CG-CD2 4.19Å; L382-L401 HydrophobicContact CB-CD1 4.13Å; L382-L401 HydrophobicContact CB-CD2 4.37Å; L382-L401 HydrophobicContact CB-CG 4.48Å; L382-L401 HydrophobicContact CD1-CD2 4.03Å; V383-L401 HydrophobicContact CG2-CD1 4.1Å; M386-L401 HydrophobicContact SD-CD1 3.75Å; A397-L401 WeakPolarHBondContact O-CG 3.39Å; A397-L401 PolarHBondContact O-N 3.45Å; A398-L401 PolarHBondContact O-N 3.05Å; E399-L401 PolarHBondContact O-N 3.35Å; L401-L404 PolarHBondContact O-N 3.33Å; L401-C405 WeakPolarHBondContact O-CB 3.21Å; L401-C405 PolarHBondContact O-N 2.89Å; L401-C405 PolarHBondContact O-SG 3.27Å; L401-F412 HydrophobicContact CB-CD2 4.44Å; L401-F412 HydrophobicContact CB-CE2 3.82Å; L401-T416 HydrophobicContact CB-CG2 4.48Å; L401-T416 HydrophobicContact CD1-CG2 3.9Å
402F93.5Very high91.4Very high1 Ų126.7 Ų26.70%0.00414%0.135CC..Hα-helixtrans-67.2-43.9177-173.6-112.3000112A398 E399 F400 C405 S406 E407 V409 F412 L424 R428 L430A398-F402 VanDerWaalsContact O-CB 3.31Å; A398-F402 WeakPolarHBondContact O-CB 3.43Å; A398-F402 PolarHBondContact O-N 3.18Å; E399-F402 PolarHBondContact O-N 2.93Å; F400-F402 VanDerWaalsContact C-N 3.29Å; F400-F402 PolarHBondContact O-N 3.14Å; F402-C405 CarbonylContact O-C 3.59Å; F402-C405 WeakPolarHBondContact O-CA 3.47Å; F402-C405 WeakPolarHBondContact O-CB 3.33Å; F402-C405 PolarHBondContact O-N 2.91Å; F402-C405 VanDerWaalsContact O-N 3.12Å; F402-S406 PolarHBondContact O-N 3.33Å; F402-E407 HydrophobicContact CD1-CB 4Å; F402-E407 HydrophobicContact CD1-CG 3.76Å; F402-E407 HydrophobicContact CE1-CB 3.45Å; F402-E407 VanDerWaalsContact CE1-CB 3.45Å; F402-E407 HydrophobicContact CE1-CG 3.64Å; F402-E407 VanDerWaalsContact CZ-C 3.44Å; F402-E407 VanDerWaalsContact CZ-CA 3.49Å; F402-E407 HydrophobicContact CZ-CB 3.79Å; F402-E407 HydrophobicContact CZ-CG 4.46Å; F402-E407 WeakPolarHBondContact CZ-O 3.29Å; F402-E407 WeakPolarHBondContact O-CA 3.3Å; F402-E407 PolarHBondContact O-N 3.49Å; F402-V409 HydrophobicContact CE2-CG2 4.31Å; F402-F412 HydrophobicContact CB-CD2 4.13Å; F402-F412 HydrophobicContact CB-CE2 3.99Å; F402-F412 HydrophobicContact CB-CZ 4.29Å; F402-F412 HydrophobicContact CD2-CB 3.93Å; F402-F412 AromaticContact CD2-CD1 3.86Å; F402-F412 HydrophobicContact CD2-CD1 3.86Å; F402-F412 HydrophobicContact CD2-CD2 4.12Å; F402-F412 HydrophobicContact CD2-CE1 4.33Å; F402-F412 AromaticContact CD2-CG 3.73Å; F402-F412 HydrophobicContact CD2-CG 3.73Å; F402-F412 HydrophobicContact CE2-CB 4.41Å; F402-L424 HydrophobicContact CB-CD2 3.66Å; F402-L424 HydrophobicContact CD1-CD2 4.41Å; F402-L424 HydrophobicContact CD2-CD2 4.35Å; F402-L424 HydrophobicContact CG-CD2 3.91Å; F402-R428 VanDerWaalsContact CE1-NH1 3.3Å; F402-L430 HydrophobicContact CE1-CD1 4.48Å; F402-L430 HydrophobicContact CZ-CD1 3.84Å
403V92.6Very high91.3Very high0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-63-41.9174.1171.50000111.1T338 A341 R342 R348 E399 F400 C405 S406 E407T338-V403 HydrophobicContact CG2-CB 4.23Å; T338-V403 HydrophobicContact CG2-CG2 3.78Å; A341-V403 HydrophobicContact CB-CG1 3.9Å; R342-V403 HydrophobicContact CB-CG1 4.15Å; R348-V403 VanDerWaalsContact CD-O 3.26Å; R348-V403 WeakPolarHBondContact CD-O 3.26Å; E399-V403 WeakPolarHBondContact O-CG2 3.38Å; E399-V403 PolarHBondContact O-N 3.47Å; F400-V403 PolarHBondContact O-N 3.42Å; V403-C405 PolarHBondContact O-N 2.98Å; V403-S406 WeakPolarHBondContact O-CA 3.49Å; V403-S406 PolarHBondContact O-N 3.45Å; V403-E407 HydrophobicContact CG2-CG 4.41Å
404L91.1Very high91.1Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-61.7-32.5173.8-66-171.8000112.5A341 R348 L351 K352 V361 L362 F400 L401 S406A341-L404 HydrophobicContact CB-CD2 4.09Å; R348-L404 HydrophobicContact CG-CD2 4.43Å; L351-L404 HydrophobicContact CB-CD1 4.3Å; L351-L404 HydrophobicContact CB-CD2 3.48Å; L351-L404 VanDerWaalsContact CB-CD2 3.48Å; L351-L404 HydrophobicContact CD1-CD2 4.15Å; L351-L404 HydrophobicContact CG-CD2 4.47Å; K352-L404 WeakPolarHBondContact CD-O 3.32Å; V361-L404 HydrophobicContact CB-CD1 3.71Å; V361-L404 HydrophobicContact CG1-CD1 3.77Å; V361-L404 HydrophobicContact CG2-CD1 4.02Å; L362-L404 HydrophobicContact CD1-CB 3.89Å; L362-L404 HydrophobicContact CD1-CD1 4.37Å; F400-L404 HydrophobicContact CD1-CD1 4.37Å; F400-L404 HydrophobicContact CD2-CG 4.43Å; F400-L404 HydrophobicContact CE1-CD1 3.86Å; F400-L404 HydrophobicContact CE2-CD1 4.08Å; F400-L404 HydrophobicContact CE2-CD2 4.2Å; F400-L404 HydrophobicContact CE2-CG 4.14Å; F400-L404 HydrophobicContact CZ-CD1 3.7Å; F400-L404 HydrophobicContact CZ-CG 4.28Å; F400-L404 WeakPolarHBondContact O-CG 3.39Å; F400-L404 PolarHBondContact O-N 3.48Å; L401-L404 PolarHBondContact O-N 3.33Å; L404-S406 PolarHBondContact O-N 3.29Å; L404-S406 VanDerWaalsContact O-N 3.14Å
405C89.8Confident90.8Very high1 Ų123 Ų231%0.00712%0.118CC..THydrogen-bonded Turntrans-74.79.3171.5-67.20000113.6L401 F402 V403 E407 S408 R411 F412L401-C405 WeakPolarHBondContact O-CB 3.21Å; L401-C405 PolarHBondContact O-N 2.89Å; L401-C405 PolarHBondContact O-SG 3.27Å; F402-C405 CarbonylContact O-C 3.59Å; F402-C405 WeakPolarHBondContact O-CA 3.47Å; F402-C405 WeakPolarHBondContact O-CB 3.33Å; F402-C405 PolarHBondContact O-N 2.91Å; F402-C405 VanDerWaalsContact O-N 3.12Å; V403-C405 PolarHBondContact O-N 2.98Å; C405-E407 PolarHBondContact O-N 3.09Å; C405-S408 WeakPolarHBondContact O-CB 3.2Å; C405-S408 PolarHBondContact O-N 3.46Å; C405-R411 HydrophobicContact CB-CB 4.26Å; C405-R411 HydrophobicContact CB-CG 4.24Å; C405-R411 PolarHBondContact O-NH1 3.08Å; C405-F412 HydrophobicContact CB-CB 4.19Å
406S88.6Confident90.7Very high22 Ų2216.4 Ų16.415%0.1549%0.093CC..THydrogen-bonded Turntrans55.337.9-174.5-45.40000112.1F402 V403 L404 S408F402-S406 PolarHBondContact O-N 3.33Å; V403-S406 WeakPolarHBondContact O-CA 3.49Å; V403-S406 PolarHBondContact O-N 3.45Å; L404-S406 PolarHBondContact O-N 3.29Å; L404-S406 VanDerWaalsContact O-N 3.14Å; S406-S408 PolarHBondContact O-N 3.3Å
407E89.1Confident90.5Very high30 Ų3015.9 Ų15.914%0.149%0.09CC..THydrogen-bonded Turntrans5627178.4-58.2-175-141.600113.5R342 F402 V403 C405 P436 Y440R342-E407 IonicContact NH1-OE1 2.86Å; R342-E407 PolarHBondContact NH1-OE1 3.1Å; F402-E407 HydrophobicContact CD1-CB 4Å; F402-E407 HydrophobicContact CD1-CG 3.76Å; F402-E407 HydrophobicContact CE1-CB 3.45Å; F402-E407 VanDerWaalsContact CE1-CB 3.45Å; F402-E407 HydrophobicContact CE1-CG 3.64Å; F402-E407 VanDerWaalsContact CZ-C 3.44Å; F402-E407 VanDerWaalsContact CZ-CA 3.49Å; F402-E407 HydrophobicContact CZ-CB 3.79Å; F402-E407 HydrophobicContact CZ-CG 4.46Å; F402-E407 WeakPolarHBondContact CZ-O 3.29Å; F402-E407 WeakPolarHBondContact O-CA 3.3Å; F402-E407 PolarHBondContact O-N 3.49Å; V403-E407 HydrophobicContact CG2-CG 4.41Å; C405-E407 PolarHBondContact O-N 3.09Å; E407-P436 HydrophobicContact CB-CG 4.45Å; E407-Y440 HydrophobicContact CB-CD2 4.27Å; E407-Y440 HydrophobicContact CB-CE2 3.92Å; E407-Y440 VanDerWaalsContact CD-CE2 3.44Å; E407-Y440 HydrophobicContact CG-CD2 4.43Å; E407-Y440 HydrophobicContact CG-CE2 3.62Å; E407-Y440 WeakPolarHBondContact OE1-CE2 3.37Å; E407-Y440 PolarHBondContact OE1-OH 3.12Å
408S87.9Confident90.2Very high35 Ų3519.7 Ų19.725%0.24511%0.105CC..  trans-93.5114.7178.7177.20000110.6C405 S406 R411 F412C405-S408 WeakPolarHBondContact O-CB 3.2Å; C405-S408 PolarHBondContact O-N 3.46Å; S406-S408 PolarHBondContact O-N 3.3Å; S408-R411 PolarHBondContact O-N 2.78Å; S408-F412 VanDerWaalsContact O-CB 3.29Å; S408-F412 WeakPolarHBondContact O-CB 3.3Å; S408-F412 PolarHBondContact O-N 2.86Å
409V87.8Confident89.9Confident20 Ų2021.5 Ų21.512%0.12112%0.124CC..Hα-helixtrans-56.2-48.5178.8177.70000112.5F402 R411 F412 I413 L425 L430F402-V409 HydrophobicContact CE2-CG2 4.31Å; V409-R411 PolarHBondContact O-N 2.9Å; V409-F412 PolarHBondContact O-N 3.01Å; V409-I413 HydrophobicContact CG1-CD1 3.75Å; V409-I413 HydrophobicContact CG1-CG1 4.42Å; V409-I413 WeakPolarHBondContact O-CG1 3.47Å; V409-I413 PolarHBondContact O-N 3.28Å; V409-L425 HydrophobicContact CB-CD2 4.39Å; V409-L425 HydrophobicContact CG1-CD1 4.07Å; V409-L425 HydrophobicContact CG1-CD2 3.9Å; V409-L425 HydrophobicContact CG2-CD2 3.85Å; V409-L430 HydrophobicContact CG2-CB 4.12Å; V409-L430 HydrophobicContact CG2-CD1 4.14Å
410P86.1Confident89.7Confident98 Ų9821.6 Ų21.664%0.63613%0.125SC*.Hα-helixtrans-61.3-42.4178.8-23.934.5000113.1I413 K414P410-I413 PolarHBondContact O-N 2.82Å; P410-K414 PolarHBondContact O-N 3.22Å
411R86.3Confident89.4Confident41 Ų4121.6 Ų21.616%0.15513%0.125CC..Hα-helixtrans-67.6-39.4178.9-166.4179.9-63.6127.1-3.3111C405 S408 V409 K414 Y415C405-R411 HydrophobicContact CB-CB 4.26Å; C405-R411 HydrophobicContact CB-CG 4.24Å; C405-R411 PolarHBondContact O-NH1 3.08Å; S408-R411 PolarHBondContact O-N 2.78Å; V409-R411 PolarHBondContact O-N 2.9Å; R411-K414 WeakPolarHBondContact O-CB 3.22Å; R411-K414 PolarHBondContact O-N 2.99Å; R411-Y415 HydrophobicContact CG-CD2 4.08Å; R411-Y415 HydrophobicContact CG-CE2 3.84Å; R411-Y415 WeakPolarHBondContact O-CD2 3.42Å; R411-Y415 PolarHBondContact O-N 3.3Å
412F89.8Confident89.1Confident0 Ų022.7 Ų22.70%014%0.135CC..Hα-helixtrans-61.1-49.7176.5-176.6-125.4000111.6M386 A398 L401 F402 C405 S408 V409 K414 Y415 T416 A421 L424 L425M386-F412 HydrophobicContact CE-CE1 4.2Å; M386-F412 HydrophobicContact CE-CE2 4.09Å; M386-F412 HydrophobicContact CE-CZ 3.43Å; M386-F412 VanDerWaalsContact CE-CZ 3.43Å; A398-F412 HydrophobicContact CB-CZ 4.5Å; L401-F412 HydrophobicContact CB-CD2 4.44Å; L401-F412 HydrophobicContact CB-CE2 3.82Å; F402-F412 HydrophobicContact CB-CD2 4.13Å; F402-F412 HydrophobicContact CB-CE2 3.99Å; F402-F412 HydrophobicContact CB-CZ 4.29Å; F402-F412 HydrophobicContact CD2-CB 3.93Å; F402-F412 AromaticContact CD2-CD1 3.86Å; F402-F412 HydrophobicContact CD2-CD1 3.86Å; F402-F412 HydrophobicContact CD2-CD2 4.12Å; F402-F412 HydrophobicContact CD2-CE1 4.33Å; F402-F412 AromaticContact CD2-CG 3.73Å; F402-F412 HydrophobicContact CD2-CG 3.73Å; F402-F412 HydrophobicContact CE2-CB 4.41Å; C405-F412 HydrophobicContact CB-CB 4.19Å; S408-F412 VanDerWaalsContact O-CB 3.29Å; S408-F412 WeakPolarHBondContact O-CB 3.3Å; S408-F412 PolarHBondContact O-N 2.86Å; V409-F412 PolarHBondContact O-N 3.01Å; F412-K414 VanDerWaalsContact C-N 3.29Å; F412-K414 PolarHBondContact O-N 2.86Å; F412-Y415 PolarHBondContact O-N 3.41Å; F412-Y415 VanDerWaalsContact O-N 3.13Å; F412-T416 HydrophobicContact CD2-CG2 3.94Å; F412-T416 HydrophobicContact CE2-CG2 3.72Å; F412-T416 HydrophobicContact CZ-CG2 4.39Å; F412-T416 PolarHBondContact O-N 2.89Å; F412-T416 PolarHBondContact O-OG1 3.27Å; F412-A421 HydrophobicContact CD1-CB 3.74Å; F412-A421 HydrophobicContact CE1-CB 3.47Å; F412-A421 VanDerWaalsContact CE1-CB 3.47Å; F412-A421 HydrophobicContact CZ-CB 4.32Å; F412-L424 HydrophobicContact CE1-CB 4.49Å; F412-L424 HydrophobicContact CE1-CD2 3.94Å; F412-L424 HydrophobicContact CZ-CD2 3.82Å; F412-L425 HydrophobicContact CD1-CD2 4.29Å
413I89.3Confident88.8Confident38 Ų3825.3 Ų25.320%0.19516%0.162CC..Hα-helixtrans-59.1-40.6176.6-67.2166.8000111.1V409 P410 Y415 T416 G417 Y418 A421 L425V409-I413 HydrophobicContact CG1-CD1 3.75Å; V409-I413 HydrophobicContact CG1-CG1 4.42Å; V409-I413 WeakPolarHBondContact O-CG1 3.47Å; V409-I413 PolarHBondContact O-N 3.28Å; P410-I413 PolarHBondContact O-N 2.82Å; I413-Y415 VanDerWaalsContact C-N 3.29Å; I413-Y415 PolarHBondContact O-N 2.71Å; I413-T416 PolarHBondContact O-N 3.38Å; I413-G417 WeakPolarHBondContact O-CA 3.33Å; I413-G417 PolarHBondContact O-N 3.31Å; I413-Y418 HydrophobicContact CD1-CD2 3.89Å; I413-Y418 HydrophobicContact CG1-CD2 4.26Å; I413-A421 HydrophobicContact CG1-CB 4.44Å; I413-L425 HydrophobicContact CD1-CD1 4.21Å; I413-L425 HydrophobicContact CG1-CD1 4.22Å
414K86.3Confident88.6Confident19 Ų1926.1 Ų26.18%0.08317%0.166CC..Hα-helixtrans-53.9-44.4175.9170.4172.778.71660112.2L365 P410 R411 F412 T446 D447 Y451L365-K414 HydrophobicContact CD1-CD 4.13Å; L365-K414 HydrophobicContact CD1-CG 3.5Å; L365-K414 VanDerWaalsContact CD1-CG 3.5Å; L365-K414 WeakPolarHBondContact CD1-O 3.4Å; P410-K414 PolarHBondContact O-N 3.22Å; R411-K414 WeakPolarHBondContact O-CB 3.22Å; R411-K414 PolarHBondContact O-N 2.99Å; F412-K414 VanDerWaalsContact C-N 3.29Å; F412-K414 PolarHBondContact O-N 2.86Å; K414-T446 PolarHBondContact NZ-O 3.03Å; K414-T446 PolarHBondContact NZ-OG1 3.18Å; K414-D447 IonicContact NZ-OD1 3.37Å; K414-D447 PolarHBondContact NZ-OD1 3.25Å; K414-Y451 HydrophobicContact CD-CD1 4.15Å; K414-Y451 HydrophobicContact CD-CD2 4.26Å; K414-Y451 HydrophobicContact CD-CE1 3.54Å; K414-Y451 HydrophobicContact CD-CE2 3.69Å; K414-Y451 HydrophobicContact CD-CG 4.49Å; K414-Y451 WeakPolarHBondContact CD-OH 3.4Å; K414-Y451 HydrophobicContact CG-CD2 4.49Å; K414-Y451 HydrophobicContact CG-CE1 4.31Å; K414-Y451 HydrophobicContact CG-CE2 3.65Å; K414-Y451 WeakPolarHBondContact CG-OH 3.42Å
415Y87.1Confident88.5Confident3 Ų326.2 Ų26.21%0.01217%0.166CC..Hα-helixtrans-86.7-27.7-175.5-75.5-74.7000114.4L362 P363 L365 R379 R411 F412 I413L362-Y415 HydrophobicContact CB-CD1 4.3Å; L362-Y415 HydrophobicContact CB-CE1 4.31Å; L362-Y415 HydrophobicContact CD1-CG 4.44Å; L362-Y415 HydrophobicContact CD2-CD1 4.09Å; L362-Y415 HydrophobicContact CD2-CG 4.17Å; P363-Y415 WeakPolarHBondContact O-CE1 3.47Å; L365-Y415 HydrophobicContact CD1-CD1 4.23Å; L365-Y415 HydrophobicContact CD1-CE1 4.34Å; L365-Y415 HydrophobicContact CD2-CD1 3.69Å; L365-Y415 HydrophobicContact CD2-CE1 3.81Å; L365-Y415 HydrophobicContact CG-CD1 3.9Å; L365-Y415 HydrophobicContact CG-CE1 3.68Å; R379-Y415 VanDerWaalsContact CZ-O 3.25Å; R379-Y415 PolarHBondContact NE-O 3.12Å; R379-Y415 PolarHBondContact NH2-O 2.85Å; R411-Y415 HydrophobicContact CG-CD2 4.08Å; R411-Y415 HydrophobicContact CG-CE2 3.84Å; R411-Y415 WeakPolarHBondContact O-CD2 3.42Å; R411-Y415 PolarHBondContact O-N 3.3Å; F412-Y415 PolarHBondContact O-N 3.41Å; F412-Y415 VanDerWaalsContact O-N 3.13Å; I413-Y415 VanDerWaalsContact C-N 3.29Å; I413-Y415 PolarHBondContact O-N 2.71Å
416T91Very high88.4Confident0 Ų028.9 Ų28.90%019%0.188CC..Hα-helixtrans-111.6-19.1-171.862.60000113.9V383 M386 L401 F412 I413 N420V383-T416 HydrophobicContact CG2-CG2 4.14Å; M386-T416 HydrophobicContact CE-CG2 4.27Å; M386-T416 HydrophobicContact SD-CG2 3.82Å; L401-T416 HydrophobicContact CB-CG2 4.48Å; L401-T416 HydrophobicContact CD1-CG2 3.9Å; F412-T416 HydrophobicContact CD2-CG2 3.94Å; F412-T416 HydrophobicContact CE2-CG2 3.72Å; F412-T416 HydrophobicContact CZ-CG2 4.39Å; F412-T416 PolarHBondContact O-N 2.89Å; F412-T416 PolarHBondContact O-OG1 3.27Å; I413-T416 PolarHBondContact O-N 3.38Å; T416-N420 WeakPolarHBondContact O-CB 3.16Å; T416-N420 PolarHBondContact O-ND2 3.41Å
417G89.4Confident88.2Confident0 Ų032 Ų320%022%0.215CC..  trans76.7139.2-169.200000111.6I413 G419 N420 A421I413-G417 WeakPolarHBondContact O-CA 3.33Å; I413-G417 PolarHBondContact O-N 3.31Å; G417-G419 VanDerWaalsContact C-N 3.27Å; G417-G419 PolarHBondContact O-N 3.32Å; G417-N420 PolarHBondContact O-N 3Å; G417-A421 WeakPolarHBondContact O-CB 3.37Å; G417-A421 PolarHBondContact O-N 3.16Å
418Y88.6Confident88Confident79 Ų7935.2 Ų35.231%0.3123%0.226SC..Hα-helixtrans-61.5-34.4-174.3177-96.5000112.7I413 N420 A421 A422 L425 M431 P460I413-Y418 HydrophobicContact CD1-CD2 3.89Å; I413-Y418 HydrophobicContact CG1-CD2 4.26Å; Y418-N420 VanDerWaalsContact C-N 3.3Å; Y418-N420 PolarHBondContact O-N 3.47Å; Y418-A421 PolarHBondContact O-N 3.11Å; Y418-A422 HydrophobicContact CE1-CB 4.43Å; Y418-A422 WeakPolarHBondContact O-CB 3.37Å; Y418-A422 PolarHBondContact O-N 2.59Å; Y418-L425 HydrophobicContact CD2-CD1 4.27Å; Y418-L425 HydrophobicContact CE2-CD1 4.26Å; Y418-M431 HydrophobicContact CE2-SD 4.4Å; Y418-M431 WeakPolarHBondContact OH-CE 3.47Å; Y418-P460 WeakPolarHBondContact CB-O 3.09Å; Y418-P460 PolarHBondContact N-O 3.13Å
419G88.2Confident87.7Confident43 Ų4336.3 Ų36.344%0.44324%0.244SC..Hα-helixtrans-57.3-41.4177.100000113.3G417 V461G417-G419 VanDerWaalsContact C-N 3.27Å; G417-G419 PolarHBondContact O-N 3.32Å; G419-V461 PolarHBondContact N-O 2.88Å
420N90.6Very high87.5Confident23 Ų2336.2 Ų36.212%0.12324%0.242CC..Hα-helixtrans-77.5-38.2176.5-59.7-47.8000111.1E373 V383 M386 T387 T416 G417 Y418E373-N420 PolarHBondContact OE2-ND2 3.35Å; V383-N420 HydrophobicContact CG1-CB 4.13Å; V383-N420 WeakPolarHBondContact CG1-ND2 3.39Å; M386-N420 HydrophobicContact CE-CB 4.37Å; M386-N420 WeakPolarHBondContact CE-O 3.34Å; M386-N420 HydrophobicContact SD-CB 4.43Å; T387-N420 WeakPolarHBondContact CG2-OD1 3.45Å; T416-N420 WeakPolarHBondContact O-CB 3.16Å; T416-N420 PolarHBondContact O-ND2 3.41Å; G417-N420 PolarHBondContact O-N 3Å; Y418-N420 VanDerWaalsContact C-N 3.3Å; Y418-N420 PolarHBondContact O-N 3.47Å
421A90.6Very high86.8Confident0 Ų035.7 Ų35.70%023%0.232CC..Hα-helixtrans-70.6-27.8-17800000114.5F412 I413 G417 Y418 G423 L424 L425F412-A421 HydrophobicContact CD1-CB 3.74Å; F412-A421 HydrophobicContact CE1-CB 3.47Å; F412-A421 VanDerWaalsContact CE1-CB 3.47Å; F412-A421 HydrophobicContact CZ-CB 4.32Å; I413-A421 HydrophobicContact CG1-CB 4.44Å; G417-A421 WeakPolarHBondContact O-CB 3.37Å; G417-A421 PolarHBondContact O-N 3.16Å; Y418-A421 PolarHBondContact O-N 3.11Å; A421-G423 PolarHBondContact O-N 3.37Å; A421-G423 VanDerWaalsContact O-N 3.13Å; A421-L424 PolarHBondContact O-N 3.36Å; A421-L424 VanDerWaalsContact O-N 3.12Å; A421-L425 HydrophobicContact CB-CD1 4.02Å; A421-L425 HydrophobicContact CB-CG 4.42Å; A421-L425 WeakPolarHBondContact O-CG 3.18Å; A421-L425 PolarHBondContact O-N 2.77Å; A421-L425 VanDerWaalsContact O-N 3.1Å
422A88.2Confident85.9Confident24 Ų2438.6 Ų38.620%0.19827%0.265CS..Hα-helixtrans-55-36.8-170.300000113.2Y418 L424 L425 A426Y418-A422 HydrophobicContact CE1-CB 4.43Å; Y418-A422 WeakPolarHBondContact O-CB 3.37Å; Y418-A422 PolarHBondContact O-N 2.59Å; A422-L424 PolarHBondContact O-N 2.91Å; A422-L425 PolarHBondContact O-N 2.85Å; A422-A426 WeakPolarHBondContact O-CB 3.44Å; A422-A426 PolarHBondContact O-N 2.62Å
423G87.1Confident84.4Confident56 Ų5641.2 Ų41.258%0.57729%0.292SS*.Hα-helixtrans-60.4-44.8179.400000113.3A421 A427A421-G423 PolarHBondContact O-N 3.37Å; A421-G423 VanDerWaalsContact O-N 3.13Å; G423-A427 WeakPolarHBondContact O-CB 3.41Å; G423-A427 PolarHBondContact O-N 3.11Å
424L88.8Confident82.8Confident16 Ų1641.2 Ų41.28%0.08430%0.301CS..Hα-helixtrans-72.3-43.7177.1-174.276.5000111.2A398 F402 F412 A421 A422 A426 A427 R428A398-L424 HydrophobicContact CB-CB 3.91Å; A398-L424 HydrophobicContact CB-CD1 4.08Å; A398-L424 HydrophobicContact CB-CD2 3.97Å; A398-L424 HydrophobicContact CB-CG 4.2Å; F402-L424 HydrophobicContact CB-CD2 3.66Å; F402-L424 HydrophobicContact CD1-CD2 4.41Å; F402-L424 HydrophobicContact CD2-CD2 4.35Å; F402-L424 HydrophobicContact CG-CD2 3.91Å; F412-L424 HydrophobicContact CE1-CB 4.49Å; F412-L424 HydrophobicContact CE1-CD2 3.94Å; F412-L424 HydrophobicContact CZ-CD2 3.82Å; A421-L424 PolarHBondContact O-N 3.36Å; A421-L424 VanDerWaalsContact O-N 3.12Å; A422-L424 PolarHBondContact O-N 2.91Å; L424-A426 VanDerWaalsContact C-N 3.32Å; L424-A426 PolarHBondContact O-N 2.96Å; L424-A427 PolarHBondContact O-N 3.32Å; L424-R428 PolarHBondContact O-N 3.5Å
425L88.6Confident81.4Confident2 Ų249.8 Ų49.81%0.0133%0.333CS..Hα-helixtrans-62.4-39.4-179-65.2177.6000111.7V409 F412 I413 Y418 A421 A422 R428 G429 L430 M431V409-L425 HydrophobicContact CB-CD2 4.39Å; V409-L425 HydrophobicContact CG1-CD1 4.07Å; V409-L425 HydrophobicContact CG1-CD2 3.9Å; V409-L425 HydrophobicContact CG2-CD2 3.85Å; F412-L425 HydrophobicContact CD1-CD2 4.29Å; I413-L425 HydrophobicContact CD1-CD1 4.21Å; I413-L425 HydrophobicContact CG1-CD1 4.22Å; Y418-L425 HydrophobicContact CD2-CD1 4.27Å; Y418-L425 HydrophobicContact CE2-CD1 4.26Å; A421-L425 HydrophobicContact CB-CD1 4.02Å; A421-L425 HydrophobicContact CB-CG 4.42Å; A421-L425 WeakPolarHBondContact O-CG 3.18Å; A421-L425 PolarHBondContact O-N 2.77Å; A421-L425 VanDerWaalsContact O-N 3.1Å; A422-L425 PolarHBondContact O-N 2.85Å; L425-R428 PolarHBondContact O-N 3.26Å; L425-G429 PolarHBondContact O-N 3.04Å; L425-G429 VanDerWaalsContact O-N 3.13Å; L425-L430 HydrophobicContact CD2-CB 4.04Å; L425-L430 HydrophobicContact CD2-CD1 4.43Å; L425-L430 PolarHBondContact O-N 3.23Å; L425-M431 HydrophobicContact CB-CG 4.39Å; L425-M431 HydrophobicContact CB-SD 3.61Å
426A86.8Confident80Confident57 Ų5751.9 Ų51.947%0.47135%0.347SS..Hα-helixtrans-65.4-46.4174.200000111.8A422 L424 R428 G429 M431A422-A426 WeakPolarHBondContact O-CB 3.44Å; A422-A426 PolarHBondContact O-N 2.62Å; L424-A426 VanDerWaalsContact C-N 3.32Å; L424-A426 PolarHBondContact O-N 2.96Å; A426-R428 PolarHBondContact O-N 3.32Å; A426-G429 PolarHBondContact O-N 3.25Å; A426-G429 VanDerWaalsContact O-N 3.08Å; A426-M431 HydrophobicContact CB-CG 4.09Å; A426-M431 HydrophobicContact CB-SD 4.24Å
427A85.8Confident78.1Confident87 Ų8761.3 Ų61.372%0.71939%0.391SS*.Hα-helixtrans-61.4-28.3178.700000113.2G423 L424G423-A427 WeakPolarHBondContact O-CB 3.41Å; G423-A427 PolarHBondContact O-N 3.11Å; L424-A427 PolarHBondContact O-N 3.32Å
428R83.2Confident76.5Confident98 Ų9864.7 Ų64.737%0.3743%0.426SS..THydrogen-bonded Turntrans-94.90.1176.2-71.4-162.1152.4153.62.5115.1E399 F402 L424 L425 A426 L430E399-R428 VanDerWaalsContact CD-NH1 3.29Å; E399-R428 IonicContact OE1-CZ 3.87Å; E399-R428 VanDerWaalsContact OE1-CZ 3.23Å; E399-R428 IonicContact OE1-NH1 2.73Å; E399-R428 PolarHBondContact OE1-NH1 3.13Å; E399-R428 IonicContact OE1-NH2 3.23Å; E399-R428 PolarHBondContact OE1-NH2 3.45Å; E399-R428 IonicContact OE2-CZ 3.18Å; E399-R428 IonicContact OE2-NE 2.71Å; E399-R428 IonicContact OE2-NH1 2.79Å; E399-R428 PolarHBondContact OE2-NH1 2.84Å; E399-R428 IonicContact OE2-NH2 4Å; E399-R428 PolarHBondContact OE2-NH2 3.23Å; F402-R428 VanDerWaalsContact CE1-NH1 3.3Å; L424-R428 PolarHBondContact O-N 3.5Å; L425-R428 PolarHBondContact O-N 3.26Å; A426-R428 PolarHBondContact O-N 3.32Å; R428-L430 HydrophobicContact CB-CD1 3.82Å; R428-L430 HydrophobicContact CB-CG 3.75Å; R428-L430 PolarHBondContact O-N 3.08Å
429G82.8Confident75.1Confident59 Ų5970.8 Ų70.861%0.60845%0.448SS*.THydrogen-bonded Turntrans66.520.5-175.800000114.4L425 A426L425-G429 PolarHBondContact O-N 3.04Å; L425-G429 VanDerWaalsContact O-N 3.13Å; A426-G429 PolarHBondContact O-N 3.25Å; A426-G429 VanDerWaalsContact O-N 3.08Å
430L82.4Confident73.8Confident18 Ų1870.8 Ų70.89%0.09444%0.435CS..G310 helixtrans-92.17.6-175.8-59.2177.6000113.6F402 V409 L425 R428 A432 G433 G434F402-L430 HydrophobicContact CE1-CD1 4.48Å; F402-L430 HydrophobicContact CZ-CD1 3.84Å; V409-L430 HydrophobicContact CG2-CB 4.12Å; V409-L430 HydrophobicContact CG2-CD1 4.14Å; L425-L430 HydrophobicContact CD2-CB 4.04Å; L425-L430 HydrophobicContact CD2-CD1 4.43Å; L425-L430 PolarHBondContact O-N 3.23Å; R428-L430 HydrophobicContact CB-CD1 3.82Å; R428-L430 HydrophobicContact CB-CG 3.75Å; R428-L430 PolarHBondContact O-N 3.08Å; L430-A432 PolarHBondContact O-N 3.42Å; L430-G433 PolarHBondContact O-N 2.86Å; L430-G433 VanDerWaalsContact O-N 3.13Å; L430-G434 WeakPolarHBondContact CD2-O 3.22Å
431M73.1Confident72.2Confident86 Ų8673 Ų7342%0.42445%0.452SS..G310 helixtrans-63.4-28.2-178.7-64.7-69.7-83.900112.9Y418 L425 A426 G433Y418-M431 HydrophobicContact CE2-SD 4.4Å; Y418-M431 WeakPolarHBondContact OH-CE 3.47Å; L425-M431 HydrophobicContact CB-CG 4.39Å; L425-M431 HydrophobicContact CB-SD 3.61Å; A426-M431 HydrophobicContact CB-CG 4.09Å; A426-M431 HydrophobicContact CB-SD 4.24Å; M431-G433 VanDerWaalsContact C-N 3.27Å; M431-G433 PolarHBondContact O-N 3.04Å
432A66.4Low70.4Confident103 Ų10380 Ų8085%0.85149%0.485SS*.G310 helixtrans-86.110.6177.900000113.7L430 G434L430-A432 PolarHBondContact O-N 3.42Å; A432-G434 VanDerWaalsContact C-N 3.32Å; A432-G434 PolarHBondContact O-N 3.49Å
433G57.5Low68.7Low55 Ų5584.2 Ų84.257%0.56750%0.504SS*.  trans75.717.8-178.800000114.4L430 M431 R435L430-G433 PolarHBondContact O-N 2.86Å; L430-G433 VanDerWaalsContact O-N 3.13Å; M431-G433 VanDerWaalsContact C-N 3.27Å; M431-G433 PolarHBondContact O-N 3.04Å; G433-R435 PolarHBondContact O-N 2.98Å
434G56.6Low67.3Low37 Ų3784.9 Ų84.938%0.38149%0.492SS..PPolyproline II helixtrans-55.6137.5172.100000110.9L430 A432L430-G434 WeakPolarHBondContact CD2-O 3.22Å; A432-G434 VanDerWaalsContact C-N 3.32Å; A432-G434 PolarHBondContact O-N 3.49Å
435R56.1Low66.1Low199 Ų19989.4 Ų89.475%0.75152%0.517SS*.PPolyproline II helixtrans-86.7126.5171.7-68-177.4-178.6-144.9-1.9108.1G433 E442G433-R435 PolarHBondContact O-N 2.98Å; R435-E442 IonicContact CZ-OE1 3.39Å; R435-E442 IonicContact NH1-OE1 3.87Å; R435-E442 PolarHBondContact NH1-OE1 3.13Å; R435-E442 VanDerWaalsContact NH1-OE1 3.08Å
436P57.8Low65Low48 Ų4890.4 Ų90.431%0.31252%0.523SS..PPolyproline II helixtrans-60.6148.8163.424.7-29.2000109.5E407 G438E407-P436 HydrophobicContact CB-CG 4.45Å; P436-G438 PolarHBondContact O-N 3.1Å
437E52.3Low64.5Low198 Ų19889.4 Ų89.493%0.92551%0.509SS*.  trans-55.7109.4174.1-71-177.9162.600109.4R439E437-R439 PolarHBondContact O-N 3.39Å
438G54.9Low64.1Low70 Ų7086.2 Ų86.272%0.72248%0.481SS*.  trans-81.9117.9-159.900000114.3P436 Y440P436-G438 PolarHBondContact O-N 3.1Å; G438-Y440 VanDerWaalsContact C-N 3.34Å
439R59.3Low63.8Low207 Ų20787.1 Ų87.178%0.78149%0.494SS*.  trans-85.51.9165.1-68-177.5-179.9179.90.2113.9E437E437-R439 PolarHBondContact O-N 3.39Å
440Y62.1Low63.5Low44 Ų4488.4 Ų88.417%0.17348%0.484CS..SBendtrans-121.7141.9-167.2-54.7-71.6000112.7R348 E407 G438R348-Y440 VanDerWaalsContact CZ-CD1 3.47Å; R348-Y440 VanDerWaalsContact CZ-CE1 3.44Å; E407-Y440 HydrophobicContact CB-CD2 4.27Å; E407-Y440 HydrophobicContact CB-CE2 3.92Å; E407-Y440 VanDerWaalsContact CD-CE2 3.44Å; E407-Y440 HydrophobicContact CG-CD2 4.43Å; E407-Y440 HydrophobicContact CG-CE2 3.62Å; E407-Y440 WeakPolarHBondContact OE1-CE2 3.37Å; E407-Y440 PolarHBondContact OE1-OH 3.12Å; G438-Y440 VanDerWaalsContact C-N 3.34Å
441S55.3Low63.4Low68 Ų6888.9 Ų88.948%0.47648%0.484SS..  trans-85.2138.7173.470.30000112.2D443S441-D443 VanDerWaalsContact C-N 3.3Å; S441-D443 VanDerWaalsContact CB-OD2 3.25Å; S441-D443 WeakPolarHBondContact CB-OD2 3.43Å; S441-D443 PolarHBondContact O-N 3.46Å; S441-D443 VanDerWaalsContact O-N 3.12Å; S441-D443 PolarHBondContact OG-OD2 3.39Å
442E53.3Low63.8Low148 Ų14889.4 Ų89.469%0.69248%0.484SS*.  trans-83.255.4-179.1-66.1-174.7-179.300112.3R435R435-E442 IonicContact CZ-OE1 3.39Å; R435-E442 IonicContact NH1-OE1 3.87Å; R435-E442 PolarHBondContact NH1-OE1 3.13Å; R435-E442 VanDerWaalsContact NH1-OE1 3.08Å
443D52.1Low64.4Low112 Ų11292.4 Ų92.460%0.59948%0.481SS*.  trans-102.24.8-166.5-63.5-32.7000116.8R345 S441R345-D443 IonicContact NH2-OD2 3.08Å; S441-D443 VanDerWaalsContact C-N 3.3Å; S441-D443 VanDerWaalsContact CB-OD2 3.25Å; S441-D443 WeakPolarHBondContact CB-OD2 3.43Å; S441-D443 PolarHBondContact O-N 3.46Å; S441-D443 VanDerWaalsContact O-N 3.12Å; S441-D443 PolarHBondContact OG-OD2 3.39Å
444E58.2Low65.3Low70 Ų7090.5 Ų90.533%0.32746%0.46SS..  trans-130109.6-177.1-76.5178.1-175.200113.7K349 K352 T446K349-E444 WeakPolarHBondContact CE-OE1 3.45Å; K349-E444 IonicContact NZ-OE1 2.77Å; K349-E444 PolarHBondContact NZ-OE1 3.47Å; K352-E444 IonicContact NZ-OE2 3.6Å; K352-E444 PolarHBondContact NZ-OE2 2.85Å; E444-T446 HydrophobicContact CB-CG2 4.28Å; E444-T446 PolarHBondContact O-N 2.92Å
445D64.3Low66.3Low112 Ų11294.4 Ų94.460%0.59947%0.466SS*.  trans-67.7118.2157.1-173.210000108.3D447 K452D445-D447 VanDerWaalsContact OD1-CB 3.3Å; D445-D447 WeakPolarHBondContact OD1-CB 3.41Å; D445-D447 PolarHBondContact OD1-N 2.84Å; D445-K452 WeakPolarHBondContact OD2-CE 3.34Å; D445-K452 IonicContact OD2-NZ 2.99Å; D445-K452 PolarHBondContact OD2-NZ 3.19Å
446T65.8Low67.3Low23 Ų2389.8 Ų89.814%0.14147%0.47CS..  trans-114.29.8-178.747.50000111K414 E444 T448K414-T446 PolarHBondContact NZ-O 3.03Å; K414-T446 PolarHBondContact NZ-OG1 3.18Å; E444-T446 HydrophobicContact CB-CG2 4.28Å; E444-T446 PolarHBondContact O-N 2.92Å; T446-T448 PolarHBondContact O-N 3.34Å
447D75.6Confident68.3Low35 Ų3590.1 Ų90.119%0.18747%0.474CS..  trans-80.2114179.6-67.4-0.4000107.8K414 D445 Y451 K452 K455K414-D447 IonicContact NZ-OD1 3.37Å; K414-D447 PolarHBondContact NZ-OD1 3.25Å; D445-D447 VanDerWaalsContact OD1-CB 3.3Å; D445-D447 WeakPolarHBondContact OD1-CB 3.41Å; D445-D447 PolarHBondContact OD1-N 2.84Å; D447-Y451 HydrophobicContact CB-CD1 4Å; D447-K452 HydrophobicContact CB-CD 4.31Å; D447-K452 VanDerWaalsContact CB-CE 3.45Å; D447-K452 HydrophobicContact CB-CG 3.84Å; D447-K452 VanDerWaalsContact O-CE 3.3Å; D447-K452 WeakPolarHBondContact O-CE 3.5Å; D447-K455 IonicContact OD2-NZ 2.71Å; D447-K455 PolarHBondContact OD2-NZ 3.43Å
448T76.9Confident69.6Low21 Ų2182 Ų8213%0.12944%0.436CS..  trans-70160.9170.454.10000110.2P364 L365 T446 E450 Y451 K452P364-T448 HydrophobicContact CB-CG2 3.51Å; L365-T448 WeakPolarHBondContact O-CG2 3.47Å; L365-T448 PolarHBondContact O-OG1 3.29Å; T446-T448 PolarHBondContact O-N 3.34Å; T448-E450 VanDerWaalsContact C-N 3.26Å; T448-E450 WeakPolarHBondContact CB-OE2 3.33Å; T448-E450 PolarHBondContact O-N 3.18Å; T448-Y451 PolarHBondContact O-N 3.47Å; T448-Y451 VanDerWaalsContact O-N 3.11Å; T448-Y451 WeakPolarHBondContact OG1-CB 3.37Å; T448-Y451 PolarHBondContact OG1-N 3.07Å; T448-Y451 VanDerWaalsContact OG1-N 3.16Å; T448-K452 WeakPolarHBondContact O-CG 3.34Å; T448-K452 PolarHBondContact O-N 3.05Å
449D76.8Confident70.8Confident117 Ų11780.9 Ų80.963%0.62641%0.414SS*.Hα-helixtrans-59.9-40.6177.7-62.2-33.5000110.8Y451 K452 E453D449-Y451 VanDerWaalsContact C-N 3.32Å; D449-Y451 PolarHBondContact O-N 3.22Å; D449-K452 PolarHBondContact O-N 2.84Å; D449-E453 WeakPolarHBondContact O-CG 3.49Å; D449-E453 PolarHBondContact O-N 3.26Å; D449-E453 VanDerWaalsContact O-N 3.07Å
450E77.8Confident71.7Confident86 Ų8675 Ų7540%0.40240%0.403SS..Hα-helixtrans-62.6-37.8176-56.293154.100112.4T448 A454T448-E450 VanDerWaalsContact C-N 3.26Å; T448-E450 WeakPolarHBondContact CB-OE2 3.33Å; T448-E450 PolarHBondContact O-N 3.18Å; E450-A454 WeakPolarHBondContact O-CB 3.46Å; E450-A454 PolarHBondContact O-N 2.88Å
451Y79.5Confident72.5Confident27 Ų2776.9 Ų76.911%0.10642%0.419CS..Hα-helixtrans-71-40.1176.6-175.6-94.2000111.6L365 V368 K414 D447 T448 D449 E453 A454 K455 I458L365-Y451 HydrophobicContact CB-CD2 4.33Å; L365-Y451 HydrophobicContact CD1-CD2 4.01Å; L365-Y451 HydrophobicContact CD1-CE2 4.02Å; V368-Y451 HydrophobicContact CG1-CD2 3.76Å; K414-Y451 HydrophobicContact CD-CD1 4.15Å; K414-Y451 HydrophobicContact CD-CD2 4.26Å; K414-Y451 HydrophobicContact CD-CE1 3.54Å; K414-Y451 HydrophobicContact CD-CE2 3.69Å; K414-Y451 HydrophobicContact CD-CG 4.49Å; K414-Y451 WeakPolarHBondContact CD-OH 3.4Å; K414-Y451 HydrophobicContact CG-CD2 4.49Å; K414-Y451 HydrophobicContact CG-CE1 4.31Å; K414-Y451 HydrophobicContact CG-CE2 3.65Å; K414-Y451 WeakPolarHBondContact CG-OH 3.42Å; D447-Y451 HydrophobicContact CB-CD1 4Å; T448-Y451 PolarHBondContact O-N 3.47Å; T448-Y451 VanDerWaalsContact O-N 3.11Å; T448-Y451 WeakPolarHBondContact OG1-CB 3.37Å; T448-Y451 PolarHBondContact OG1-N 3.07Å; T448-Y451 VanDerWaalsContact OG1-N 3.16Å; D449-Y451 VanDerWaalsContact C-N 3.32Å; D449-Y451 PolarHBondContact O-N 3.22Å; Y451-E453 VanDerWaalsContact C-N 3.33Å; Y451-E453 PolarHBondContact O-N 2.91Å; Y451-A454 PolarHBondContact O-N 3.48Å; Y451-K455 HydrophobicContact CE1-CD 4.24Å; Y451-K455 HydrophobicContact CE1-CG 4.28Å; Y451-K455 WeakPolarHBondContact O-CA 3.46Å; Y451-K455 WeakPolarHBondContact O-CB 3.44Å; Y451-K455 PolarHBondContact O-N 2.86Å; Y451-I458 HydrophobicContact CD2-CD1 3.9Å; Y451-I458 HydrophobicContact CE2-CD1 3.53Å
452K81.6Confident73.3Confident98 Ų9875 Ų7543%0.42641%0.405SS..Hα-helixtrans-61.2-42.4178.4-73.2175.8-179.9173.10111.4D445 D447 T448 D449D445-K452 WeakPolarHBondContact OD2-CE 3.34Å; D445-K452 IonicContact OD2-NZ 2.99Å; D445-K452 PolarHBondContact OD2-NZ 3.19Å; D447-K452 HydrophobicContact CB-CD 4.31Å; D447-K452 VanDerWaalsContact CB-CE 3.45Å; D447-K452 HydrophobicContact CB-CG 3.84Å; D447-K452 VanDerWaalsContact O-CE 3.3Å; D447-K452 WeakPolarHBondContact O-CE 3.5Å; T448-K452 WeakPolarHBondContact O-CG 3.34Å; T448-K452 PolarHBondContact O-N 3.05Å; D449-K452 PolarHBondContact O-N 2.84Å
453E78.8Confident74.5Confident165 Ų16568.6 Ų68.677%0.77138%0.378SS*.Hα-helixtrans-65.7-41.8176-70.7178.3-17600112.4D449 Y451D449-E453 WeakPolarHBondContact O-CG 3.49Å; D449-E453 PolarHBondContact O-N 3.26Å; D449-E453 VanDerWaalsContact O-N 3.07Å; Y451-E453 VanDerWaalsContact C-N 3.33Å; Y451-E453 PolarHBondContact O-N 2.91Å
454A77.3Confident75.9Confident16 Ų1666.9 Ų66.913%0.13236%0.363CS..Hα-helixtrans-82.6-16.8-176.400000114.4V368 E450 Y451 A456 S457 I458 V465V368-A454 HydrophobicContact CB-CB 4.47Å; V368-A454 HydrophobicContact CG2-CB 3.65Å; E450-A454 WeakPolarHBondContact O-CB 3.46Å; E450-A454 PolarHBondContact O-N 2.88Å; Y451-A454 PolarHBondContact O-N 3.48Å; A454-A456 PolarHBondContact O-N 3.13Å; A454-S457 WeakPolarHBondContact O-CA 3.31Å; A454-S457 PolarHBondContact O-N 3.29Å; A454-I458 HydrophobicContact CB-CD1 4.24Å; A454-I458 HydrophobicContact CB-CG1 4.36Å; A454-I458 WeakPolarHBondContact O-CG1 3.39Å; A454-I458 PolarHBondContact O-N 3.42Å; A454-V465 HydrophobicContact CB-CG2 3.83Å
455K77.2Confident76.9Confident118 Ų11865.8 Ų65.851%0.51336%0.361SS..G310 helixtrans-49.2-39.3-170.2-169.1171.1-175.4166.90114.1D447 Y451 S457D447-K455 IonicContact OD2-NZ 2.71Å; D447-K455 PolarHBondContact OD2-NZ 3.43Å; Y451-K455 HydrophobicContact CE1-CD 4.24Å; Y451-K455 HydrophobicContact CE1-CG 4.28Å; Y451-K455 WeakPolarHBondContact O-CA 3.46Å; Y451-K455 WeakPolarHBondContact O-CB 3.44Å; Y451-K455 PolarHBondContact O-N 2.86Å; K455-S457 VanDerWaalsContact C-N 3.28Å; K455-S457 PolarHBondContact O-N 3.25Å
456A76.4Confident77.4Confident102 Ų10263.4 Ų63.484%0.84335%0.346SS*.G310 helixtrans-71.7-19.2179.700000114.1A454A454-A456 PolarHBondContact O-N 3.13Å
457S78.7Confident77.6Confident55 Ų5571.2 Ų71.239%0.38538%0.381SS..G310 helixtrans-109.1-0.3-175.9-53.20000113.3A454 K455 V465 E466A454-S457 WeakPolarHBondContact O-CA 3.31Å; A454-S457 PolarHBondContact O-N 3.29Å; K455-S457 VanDerWaalsContact C-N 3.28Å; K455-S457 PolarHBondContact O-N 3.25Å; S457-V465 WeakPolarHBondContact O-CA 3.46Å; S457-E466 PolarHBondContact O-N 3.46Å
458I80.2Confident77.1Confident27 Ų2778.2 Ų78.214%0.13841%0.41CS..BIsolated β-bridgetrans-81.1124.8177.6-66.7169.3000109.2V368 Y451 A454 P460 V465V368-I458 HydrophobicContact CB-CD1 4.14Å; V368-I458 HydrophobicContact CG1-CD1 4.15Å; Y451-I458 HydrophobicContact CD2-CD1 3.9Å; Y451-I458 HydrophobicContact CE2-CD1 3.53Å; A454-I458 HydrophobicContact CB-CD1 4.24Å; A454-I458 HydrophobicContact CB-CG1 4.36Å; A454-I458 WeakPolarHBondContact O-CG1 3.39Å; A454-I458 PolarHBondContact O-N 3.42Å; I458-P460 WeakPolarHBondContact O-CD 2.99Å; I458-V465 HydrophobicContact CG1-CG2 3.71Å
459N80.9Confident76.6Confident47 Ų4782.1 Ų82.125%0.25144%0.436SS..  trans-73.7119.6170.3179.9-24.8000109.3V461 T462 G463 R464 E466N459-V461 PolarHBondContact O-N 2.93Å; N459-V461 WeakPolarHBondContact OD1-CB 3.11Å; N459-V461 PolarHBondContact OD1-N 3.38Å; N459-T462 WeakPolarHBondContact CB-OG1 3.49Å; N459-T462 PolarHBondContact O-N 2.91Å; N459-G463 WeakPolarHBondContact O-CA 3.48Å; N459-G463 PolarHBondContact O-N 3.38Å; N459-R464 PolarHBondContact N-O 2.8Å; N459-E466 HydrophobicContact CB-CG 4.12Å; N459-E466 PolarHBondContact ND2-OE2 3.04Å
460P76.5Confident76.3Confident85 Ų8581.6 Ų81.655%0.55244%0.439SS*.THydrogen-bonded Turntrans-60.3-29.9-178-24.734.8000114.1Y418 I458Y418-P460 WeakPolarHBondContact CB-O 3.09Å; Y418-P460 PolarHBondContact N-O 3.13Å; I458-P460 WeakPolarHBondContact O-CD 2.99Å
461V78.7Confident76Confident82 Ų8283 Ų8350%0.49745%0.449SS..THydrogen-bonded Turntrans-71.2-49.9-178.8-178.40000110.9G419 N459G419-V461 PolarHBondContact N-O 2.88Å; N459-V461 PolarHBondContact O-N 2.93Å; N459-V461 WeakPolarHBondContact OD1-CB 3.11Å; N459-V461 PolarHBondContact OD1-N 3.38Å
462T73.6Confident75.6Confident30 Ų3086.8 Ų86.818%0.18448%0.477CS..THydrogen-bonded Turntrans-91.8-13.6-174.159.90000113.2P372 N459 R464 E466P372-T462 WeakPolarHBondContact CD-O 3.31Å; N459-T462 WeakPolarHBondContact CB-OG1 3.49Å; N459-T462 PolarHBondContact O-N 2.91Å; T462-R464 PolarHBondContact O-N 3.2Å; T462-R464 WeakPolarHBondContact OG1-CG 3.39Å; T462-E466 PolarHBondContact OG1-OE1 2.87Å
463G77.1Confident75Confident12 Ų1285.2 Ų85.212%0.12447%0.472CS..SBendtrans67.515.4178.700000114.3N459N459-G463 WeakPolarHBondContact O-CA 3.48Å; N459-G463 PolarHBondContact O-N 3.38Å
464R82.3Confident74.8Confident77 Ų7784.1 Ų84.129%0.29147%0.467SS..SBendtrans-125157.5-179.962.9169.1-176.9177.47.9111.9V368 R369 R371 N459 T462 E466V368-R464 CarbonylContact O-C 3.6Å; V368-R464 VanDerWaalsContact O-CA 3.31Å; V368-R464 WeakPolarHBondContact O-CA 3.33Å; R369-R464 WeakPolarHBondContact O-CB 3.39Å; R371-R464 HydrophobicContact CG-CG 4.45Å; N459-R464 PolarHBondContact N-O 2.8Å; T462-R464 PolarHBondContact O-N 3.2Å; T462-R464 WeakPolarHBondContact OG1-CG 3.39Å; R464-E466 HydrophobicContact CG-CG 4.04Å; R464-E466 IonicContact CZ-OE1 3.01Å; R464-E466 IonicContact NE-OE1 2.77Å; R464-E466 PolarHBondContact NE-OE1 2.81Å; R464-E466 IonicContact NH2-OE1 2.84Å; R464-E466 PolarHBondContact NH2-OE1 3.35Å; R464-E466 PolarHBondContact O-N 2.99Å
465V80.3Confident74.5Confident46 Ų4687.3 Ų87.328%0.27950%0.501SS..BIsolated β-bridgetrans-67.8121.2165.1179.70000108.7V368 A454 S457 I458V368-V465 HydrophobicContact CB-CG2 4.29Å; V368-V465 HydrophobicContact CG2-CG2 3.84Å; V368-V465 PolarHBondContact O-N 2.68Å; A454-V465 HydrophobicContact CB-CG2 3.83Å; S457-V465 WeakPolarHBondContact O-CA 3.46Å; I458-V465 HydrophobicContact CG1-CG2 3.71Å
466E72.9Confident74.7Confident63 Ų6384.3 Ų84.329%0.29449%0.49SS..  trans-104137.9172.7-62.8-167.2148.400109.1S457 N459 T462 R464 K468S457-E466 PolarHBondContact O-N 3.46Å; N459-E466 HydrophobicContact CB-CG 4.12Å; N459-E466 PolarHBondContact ND2-OE2 3.04Å; T462-E466 PolarHBondContact OG1-OE1 2.87Å; R464-E466 HydrophobicContact CG-CG 4.04Å; R464-E466 IonicContact CZ-OE1 3.01Å; R464-E466 IonicContact NE-OE1 2.77Å; R464-E466 PolarHBondContact NE-OE1 2.81Å; R464-E466 IonicContact NH2-OE1 2.84Å; R464-E466 PolarHBondContact NH2-OE1 3.35Å; R464-E466 PolarHBondContact O-N 2.99Å; E466-K468 PolarHBondContact O-N 3.26Å
467E70.5Confident75.1Confident186 Ų18683.3 Ų83.387%0.86947%0.473SS*.PPolyproline II helixtrans-60.5131.9169.3-67.4-178.5173.500107.9P469E467-P469 VanDerWaalsContact O-N 3.16Å
468K65.9Low75.2Confident182 Ų18286.6 Ų86.679%0.79148%0.482SS*.PPolyproline II helixtrans-57.4125.5176.1-69.5-178.4-179.5177.30106.9E466E466-K468 PolarHBondContact O-N 3.26Å
469P65.1Low75.3Confident104 Ų10491.6 Ų91.668%0.67551%0.505SS*.PPolyproline II helixtrans-55.1145.2176.623.3-32000108.6E467 N471E467-P469 VanDerWaalsContact O-N 3.16Å; P469-N471 PolarHBondContact O-N 2.89Å
470P71.4Confident75.3Confident106 Ų10694.4 Ų94.469%0.68852%0.517SS*.PPolyproline II helixtrans-54140.817524.3-33000108.4P472P470-P472 VanDerWaalsContact O-CD 3.24Å; P470-P472 WeakPolarHBondContact O-CD 3.49Å; P470-P472 VanDerWaalsContact O-N 3.1Å
471N71.6Confident75.6Confident114 Ų11493.4 Ų93.461%0.6150%0.504SS*.PPolyproline II helixtrans-60.1121.3-177.7-78.6-39.5000107.5P469 M473 E474P469-N471 PolarHBondContact O-N 2.89Å; N471-M473 PolarHBondContact O-N 3.43Å; N471-E474 HydrophobicContact CB-CB 3.99Å; N471-E474 WeakPolarHBondContact O-CB 3.12Å; N471-E474 PolarHBondContact O-N 3.15Å
472P70.3Confident75.9Confident108 Ų10895.5 Ų95.570%0.70151%0.508SS*.THydrogen-bonded Turntrans-60.2-20.3-177.8-24.533.8000113.1P470 M476P470-P472 VanDerWaalsContact O-CD 3.24Å; P470-P472 WeakPolarHBondContact O-CD 3.49Å; P470-P472 VanDerWaalsContact O-N 3.1Å; P472-M476 VanDerWaalsContact O-CE 3.24Å; P472-M476 WeakPolarHBondContact O-CE 3.31Å
473M70.3Confident76.4Confident65 Ų65100.2 Ų100.232%0.3253%0.528SS..THydrogen-bonded Turntrans-92.81.7179.1-45.1-58-68.900113.2N471 G475 M476 K481 E484N471-M473 PolarHBondContact O-N 3.43Å; M473-G475 PolarHBondContact O-N 3.39Å; M473-M476 HydrophobicContact CE-SD 3.86Å; M473-M476 PolarHBondContact O-N 2.96Å; M473-M476 HydrophobicContact SD-SD 3.98Å; M473-K481 HydrophobicContact CB-CD 4.47Å; M473-K481 HydrophobicContact CB-CG 4.44Å; M473-K481 HydrophobicContact CE-CB 3.45Å; M473-K481 VanDerWaalsContact CE-CB 3.45Å; M473-K481 HydrophobicContact CE-CD 4.32Å; M473-K481 HydrophobicContact CE-CG 3.47Å; M473-K481 VanDerWaalsContact CE-CG 3.47Å; M473-E484 HydrophobicContact CE-CB 4.05Å; M473-E484 HydrophobicContact CE-CG 4.27Å; M473-E484 HydrophobicContact SD-CG 4.23Å
474E73.9Confident76.7Confident141 Ų141103 Ų10366%0.65954%0.537SS*.THydrogen-bonded Turntrans-74.1120.3180-161.3163.2-171.400109.7N471N471-E474 HydrophobicContact CB-CB 3.99Å; N471-E474 WeakPolarHBondContact O-CB 3.12Å; N471-E474 PolarHBondContact O-N 3.15Å
475G71.6Confident76.9Confident83 Ų83101.6 Ų101.686%0.85654%0.542SS*.THydrogen-bonded Turntrans89.5-1.5-173.800000115.3M473M473-G475 PolarHBondContact O-N 3.39Å
476M80.7Confident77.2Confident56 Ų56105.7 Ų105.728%0.27656%0.56SS.*  trans-84.9141.6172-66.7-177.4178.200111.8P472 M473 Q480 K481 E484P472-M476 VanDerWaalsContact O-CE 3.24Å; P472-M476 WeakPolarHBondContact O-CE 3.31Å; M473-M476 HydrophobicContact CE-SD 3.86Å; M473-M476 PolarHBondContact O-N 2.96Å; M473-M476 HydrophobicContact SD-SD 3.98Å; M476-Q480 HydrophobicContact CB-CB 4.1Å; M476-K481 HydrophobicContact CB-CG 4.01Å; M476-E484 VanDerWaalsContact CE-OE2 3.32Å; M476-E484 WeakPolarHBondContact CE-OE2 3.24Å
477T84.2Confident77.9Confident80 Ų80108.3 Ų108.349%0.49157%0.57SS.*  trans-70.6156.2168.961.90000110.7E479 Q480 K481T477-E479 PolarHBondContact O-N 3.19Å; T477-Q480 VanDerWaalsContact N-OE1 3.13Å; T477-Q480 WeakPolarHBondContact O-CA 3.24Å; T477-Q480 WeakPolarHBondContact O-CB 3.12Å; T477-Q480 PolarHBondContact O-N 2.82Å; T477-Q480 WeakPolarHBondContact OG1-CG 3.36Å; T477-Q480 PolarHBondContact OG1-N 2.92Å; T477-K481 WeakPolarHBondContact O-CG 3.34Å; T477-K481 PolarHBondContact O-N 2.89Å
478E81.3Confident78.6Confident125 Ų125103.5 Ų103.558%0.58455%0.55SS**Hα-helixtrans-53.8-39.5178.9-74.5-59.6134.700112.5Q480 K481 E482E478-Q480 VanDerWaalsContact C-N 3.34Å; E478-Q480 PolarHBondContact O-N 2.8Å; E478-K481 WeakPolarHBondContact O-CB 3.38Å; E478-K481 PolarHBondContact O-N 2.98Å; E478-K481 VanDerWaalsContact O-N 3.13Å; E478-K481 IonicContact OE1-NZ 3.98Å; E478-K481 PolarHBondContact OE1-NZ 3.22Å; E478-E482 WeakPolarHBondContact O-CG 3.46Å; E478-E482 PolarHBondContact O-N 3.04Å
479E82.9Confident79.6Confident132 Ų13299.5 Ų99.562%0.61754%0.541SS*.Hα-helixtrans-63.6-36.7176.3-170.1178.4-173.800112.9T477 H483T477-E479 PolarHBondContact O-N 3.19Å; E479-H483 PolarHBondContact O-N 3.07Å; E479-H483 VanDerWaalsContact O-N 3.11Å; E479-H483 PolarHBondContact O-ND1 3.4Å
480Q81.3Confident80.7Confident105 Ų10597.7 Ų97.749%0.49153%0.528SS..Hα-helixtrans-69.4-36.6174.2-73.2172.3-18.400111.5M476 T477 E478 H483 E484M476-Q480 HydrophobicContact CB-CB 4.1Å; T477-Q480 VanDerWaalsContact N-OE1 3.13Å; T477-Q480 WeakPolarHBondContact O-CA 3.24Å; T477-Q480 WeakPolarHBondContact O-CB 3.12Å; T477-Q480 PolarHBondContact O-N 2.82Å; T477-Q480 WeakPolarHBondContact OG1-CG 3.36Å; T477-Q480 PolarHBondContact OG1-N 2.92Å; E478-Q480 VanDerWaalsContact C-N 3.34Å; E478-Q480 PolarHBondContact O-N 2.8Å; Q480-H483 PolarHBondContact O-N 3.47Å; Q480-E484 PolarHBondContact O-N 2.63Å
481K82.6Confident81.4Confident65 Ų6597.1 Ų97.128%0.28352%0.517SS..Hα-helixtrans-63.7-41.9175.3-59.7-177.1-173.1163.50111.8M473 M476 T477 E478 E484 A485M473-K481 HydrophobicContact CB-CD 4.47Å; M473-K481 HydrophobicContact CB-CG 4.44Å; M473-K481 HydrophobicContact CE-CB 3.45Å; M473-K481 VanDerWaalsContact CE-CB 3.45Å; M473-K481 HydrophobicContact CE-CD 4.32Å; M473-K481 HydrophobicContact CE-CG 3.47Å; M473-K481 VanDerWaalsContact CE-CG 3.47Å; M476-K481 HydrophobicContact CB-CG 4.01Å; T477-K481 WeakPolarHBondContact O-CG 3.34Å; T477-K481 PolarHBondContact O-N 2.89Å; E478-K481 WeakPolarHBondContact O-CB 3.38Å; E478-K481 PolarHBondContact O-N 2.98Å; E478-K481 VanDerWaalsContact O-N 3.13Å; E478-K481 IonicContact OE1-NZ 3.98Å; E478-K481 PolarHBondContact OE1-NZ 3.22Å; K481-E484 PolarHBondContact O-N 2.82Å; K481-A485 WeakPolarHBondContact O-CB 3.48Å; K481-A485 PolarHBondContact O-N 3.13Å
482E84.1Confident81.9Confident125 Ų12597.6 Ų97.658%0.58451%0.514SS*.Hα-helixtrans-63.1-42.4175.8-71.8-179.3172.900111.9E478 A485 M486E478-E482 WeakPolarHBondContact O-CG 3.46Å; E478-E482 PolarHBondContact O-N 3.04Å; E482-A485 PolarHBondContact O-N 3.39Å; E482-M486 PolarHBondContact O-N 2.84Å
483H84.1Confident82.5Confident129 Ų12995.4 Ų95.460%0.59750%0.496SS*.Hα-helixtrans-63.4-42.9175.8-81.880.7000112.7E479 Q480 A485 M486 K487E479-H483 PolarHBondContact O-N 3.07Å; E479-H483 VanDerWaalsContact O-N 3.11Å; E479-H483 PolarHBondContact O-ND1 3.4Å; Q480-H483 PolarHBondContact O-N 3.47Å; H483-A485 VanDerWaalsContact C-N 3.35Å; H483-M486 PolarHBondContact O-N 3.25Å; H483-K487 WeakPolarHBondContact O-CB 3.34Å; H483-K487 PolarHBondContact O-N 3.4Å
484E83.9Confident83.2Confident71 Ų7198.4 Ų98.433%0.33251%0.508SS..Hα-helixtrans-63.3-41.4175.5-166.798.6-138.400111M473 M476 Q480 K481 K487 L488M473-E484 HydrophobicContact CE-CB 4.05Å; M473-E484 HydrophobicContact CE-CG 4.27Å; M473-E484 HydrophobicContact SD-CG 4.23Å; M476-E484 VanDerWaalsContact CE-OE2 3.32Å; M476-E484 WeakPolarHBondContact CE-OE2 3.24Å; Q480-E484 PolarHBondContact O-N 2.63Å; K481-E484 PolarHBondContact O-N 2.82Å; E484-K487 WeakPolarHBondContact O-CB 3.34Å; E484-K487 PolarHBondContact O-N 3.02Å; E484-L488 PolarHBondContact O-N 2.95Å
485A86.5Confident83.8Confident47 Ų4795 Ų9539%0.38849%0.494SS..Hα-helixtrans-63.3-46.1175.900000111.9K481 E482 H483 K487 L488 V489K481-A485 WeakPolarHBondContact O-CB 3.48Å; K481-A485 PolarHBondContact O-N 3.13Å; E482-A485 PolarHBondContact O-N 3.39Å; H483-A485 VanDerWaalsContact C-N 3.35Å; A485-K487 VanDerWaalsContact C-N 3.27Å; A485-K487 PolarHBondContact O-N 3.33Å; A485-L488 WeakPolarHBondContact O-CB 3.32Å; A485-L488 PolarHBondContact O-N 2.86Å; A485-V489 WeakPolarHBondContact O-CG2 3.18Å; A485-V489 PolarHBondContact O-N 2.86Å
486M86.6Confident84.3Confident133 Ų13393.7 Ų93.766%0.65547%0.471SS*.Hα-helixtrans-60-38.8174.6-108.468.7-177.200111.8E482 H483 V489 T490E482-M486 PolarHBondContact O-N 2.84Å; H483-M486 PolarHBondContact O-N 3.25Å; M486-V489 PolarHBondContact O-N 3.19Å; M486-T490 WeakPolarHBondContact O-CB 3.24Å; M486-T490 PolarHBondContact O-N 3.22Å; M486-T490 PolarHBondContact O-OG1 3.3Å
487K87.4Confident84.4Confident118 Ų11899.8 Ų99.851%0.51349%0.491SS..Hα-helixtrans-65.1-43.6176.3-174.4-176.3179.3-1700111.4H483 E484 A485 T490 M491H483-K487 WeakPolarHBondContact O-CB 3.34Å; H483-K487 PolarHBondContact O-N 3.4Å; E484-K487 WeakPolarHBondContact O-CB 3.34Å; E484-K487 PolarHBondContact O-N 3.02Å; A485-K487 VanDerWaalsContact C-N 3.27Å; A485-K487 PolarHBondContact O-N 3.33Å; K487-T490 WeakPolarHBondContact O-CB 3.32Å; K487-T490 PolarHBondContact O-N 2.58Å; K487-M491 HydrophobicContact CD-CE 4.23Å; K487-M491 HydrophobicContact CG-CE 3.91Å; K487-M491 WeakPolarHBondContact O-CG 3.46Å; K487-M491 PolarHBondContact O-N 3.45Å
488L86Confident84.3Confident85 Ų85101.7 Ų101.745%0.44550%0.498SS..Hα-helixtrans-61.9-46.4174.4-85.5160.9000111.9E484 A485 T490 M491 F492E484-L488 PolarHBondContact O-N 2.95Å; A485-L488 WeakPolarHBondContact O-CB 3.32Å; A485-L488 PolarHBondContact O-N 2.86Å; L488-T490 VanDerWaalsContact C-N 3.27Å; L488-T490 PolarHBondContact O-N 3.38Å; L488-M491 WeakPolarHBondContact O-CB 3.44Å; L488-M491 PolarHBondContact O-N 2.96Å; L488-F492 HydrophobicContact CD2-CE2 4.46Å; L488-F492 VanDerWaalsContact O-CD2 3.32Å; L488-F492 WeakPolarHBondContact O-CD2 3.42Å; L488-F492 PolarHBondContact O-N 3.14Å
489V86.8Confident84.1Confident97 Ų97106.6 Ų106.659%0.58851%0.512SS*.Hα-helixtrans-57.5-43.6175.2170.80000110.7A485 M486 M491 F492 D493A485-V489 WeakPolarHBondContact O-CG2 3.18Å; A485-V489 PolarHBondContact O-N 2.86Å; M486-V489 PolarHBondContact O-N 3.19Å; V489-M491 VanDerWaalsContact C-N 3.31Å; V489-M491 PolarHBondContact O-N 3.04Å; V489-F492 PolarHBondContact O-N 3.32Å; V489-D493 WeakPolarHBondContact O-CB 3.49Å; V489-D493 PolarHBondContact O-N 3.42Å
490T87.9Confident83.8Confident67 Ų67105 Ų10541%0.41151%0.511SS..Hα-helixtrans-63.7-37176.8-53.70000111.8M486 K487 L488 K494M486-T490 WeakPolarHBondContact O-CB 3.24Å; M486-T490 PolarHBondContact O-N 3.22Å; M486-T490 PolarHBondContact O-OG1 3.3Å; K487-T490 WeakPolarHBondContact O-CB 3.32Å; K487-T490 PolarHBondContact O-N 2.58Å; L488-T490 VanDerWaalsContact C-N 3.27Å; L488-T490 PolarHBondContact O-N 3.38Å; T490-K494 HydrophobicContact CG2-CD 4.45Å; T490-K494 WeakPolarHBondContact O-CB 3.36Å; T490-K494 VanDerWaalsContact O-CG 3.25Å; T490-K494 WeakPolarHBondContact O-CG 3.32Å; T490-K494 PolarHBondContact O-N 3.33Å
491M85.8Confident83.7Confident93 Ų93103 Ų10346%0.45850%0.503SS..Hα-helixtrans-68.5-44.7174.7-71.5179.4-174.900112K487 L488 V489 K494 L495K487-M491 HydrophobicContact CD-CE 4.23Å; K487-M491 HydrophobicContact CG-CE 3.91Å; K487-M491 WeakPolarHBondContact O-CG 3.46Å; K487-M491 PolarHBondContact O-N 3.45Å; L488-M491 WeakPolarHBondContact O-CB 3.44Å; L488-M491 PolarHBondContact O-N 2.96Å; V489-M491 VanDerWaalsContact C-N 3.31Å; V489-M491 PolarHBondContact O-N 3.04Å; M491-K494 PolarHBondContact O-N 3.36Å; M491-L495 WeakPolarHBondContact O-CB 3.48Å; M491-L495 WeakPolarHBondContact O-CG 3.33Å; M491-L495 PolarHBondContact O-N 3.05Å
492F81.6Confident83.5Confident125 Ų125106.5 Ų106.555%0.54852%0.52SS..Hα-helixtrans-60.1-45.4175.7-88.4-70.7000111.7L488 V489 K494 L495 S496 I501L488-F492 HydrophobicContact CD2-CE2 4.46Å; L488-F492 VanDerWaalsContact O-CD2 3.32Å; L488-F492 WeakPolarHBondContact O-CD2 3.42Å; L488-F492 PolarHBondContact O-N 3.14Å; V489-F492 PolarHBondContact O-N 3.32Å; F492-K494 PolarHBondContact O-N 3.34Å; F492-L495 PolarHBondContact O-N 3.45Å; F492-S496 WeakPolarHBondContact O-CB 3.35Å; F492-S496 PolarHBondContact O-N 2.86Å; F492-I501 HydrophobicContact CD1-CD1 3.61Å; F492-I501 HydrophobicContact CE1-CD1 4.17Å
493D83.7Confident83.1Confident61 Ų61104.1 Ų104.133%0.32652%0.515SS..Hα-helixtrans-61.4-43.9176.4176.661000111.5V489 L495 S496 R497V489-D493 WeakPolarHBondContact O-CB 3.49Å; V489-D493 PolarHBondContact O-N 3.42Å; D493-L495 PolarHBondContact O-N 3.15Å; D493-S496 PolarHBondContact O-N 2.94Å; D493-R497 VanDerWaalsContact CG-NE 3.25Å; D493-R497 VanDerWaalsContact CG-NH2 3.35Å; D493-R497 WeakPolarHBondContact O-CB 3.36Å; D493-R497 VanDerWaalsContact O-CG 3.26Å; D493-R497 WeakPolarHBondContact O-CG 3.44Å; D493-R497 PolarHBondContact O-N 2.93Å; D493-R497 IonicContact OD1-CZ 3.32Å; D493-R497 VanDerWaalsContact OD1-CZ 3.32Å; D493-R497 IonicContact OD1-NE 3.88Å; D493-R497 PolarHBondContact OD1-NE 2.88Å; D493-R497 IonicContact OD1-NH2 3.06Å; D493-R497 PolarHBondContact OD1-NH2 2.98Å; D493-R497 IonicContact OD2-CZ 2.93Å; D493-R497 IonicContact OD2-NE 3.25Å; D493-R497 PolarHBondContact OD2-NE 3.08Å; D493-R497 IonicContact OD2-NH1 3.67Å; D493-R497 IonicContact OD2-NH2 2.86Å; D493-R497 PolarHBondContact OD2-NH2 3.4Å
494K85.5Confident82.9Confident128 Ų128102.4 Ų102.456%0.55751%0.509SS*.Hα-helixtrans-60.6-45.4174.3-77.4174.2-179.7179.20112.8T490 M491 F492 N498T490-K494 HydrophobicContact CG2-CD 4.45Å; T490-K494 WeakPolarHBondContact O-CB 3.36Å; T490-K494 VanDerWaalsContact O-CG 3.25Å; T490-K494 WeakPolarHBondContact O-CG 3.32Å; T490-K494 PolarHBondContact O-N 3.33Å; M491-K494 PolarHBondContact O-N 3.36Å; F492-K494 PolarHBondContact O-N 3.34Å; K494-N498 WeakPolarHBondContact O-CB 3.35Å; K494-N498 VanDerWaalsContact O-CG 3.24Å; K494-N498 PolarHBondContact O-N 3.44Å; K494-N498 PolarHBondContact O-ND2 3.16Å
495L85.3Confident82.6Confident70 Ų7099.5 Ų99.537%0.36650%0.498SS..Hα-helixtrans-67-38.8179.5-71.5167.9000111.7M491 F492 D493 R499 V500 I501M491-L495 WeakPolarHBondContact O-CB 3.48Å; M491-L495 WeakPolarHBondContact O-CG 3.33Å; M491-L495 PolarHBondContact O-N 3.05Å; F492-L495 PolarHBondContact O-N 3.45Å; D493-L495 PolarHBondContact O-N 3.15Å; L495-R499 PolarHBondContact O-N 3.28Å; L495-V500 HydrophobicContact CD2-CB 4.01Å; L495-V500 HydrophobicContact CD2-CG1 3.94Å; L495-V500 HydrophobicContact CD2-CG2 4.4Å; L495-V500 PolarHBondContact O-N 2.85Å; L495-I501 HydrophobicContact CB-CD1 3.59Å; L495-I501 HydrophobicContact CB-CG1 3.73Å; L495-I501 HydrophobicContact CB-CG2 4.48Å; L495-I501 HydrophobicContact CD1-CD1 4.35Å; L495-I501 PolarHBondContact O-N 3.06Å
496S81.7Confident81.8Confident55 Ų55104 Ų10439%0.38551%0.513SS..Hα-helixtrans-67.9-43.8176.9-170.50000111.7F492 D493 N498 R499F492-S496 WeakPolarHBondContact O-CB 3.35Å; F492-S496 PolarHBondContact O-N 2.86Å; D493-S496 PolarHBondContact O-N 2.94Å; S496-N498 VanDerWaalsContact C-N 3.31Å; S496-N498 PolarHBondContact O-N 3.18Å; S496-R499 PolarHBondContact O-N 3.38Å; S496-R499 VanDerWaalsContact O-N 3.08Å
497R83.2Confident81.1Confident185 Ų18598.1 Ų98.170%0.69849%0.485SS*.Hα-helixtrans-63.8-36.6177-73.9178.1-167.6-170.36.2112.4D493 R499D493-R497 VanDerWaalsContact CG-NE 3.25Å; D493-R497 VanDerWaalsContact CG-NH2 3.35Å; D493-R497 WeakPolarHBondContact O-CB 3.36Å; D493-R497 VanDerWaalsContact O-CG 3.26Å; D493-R497 WeakPolarHBondContact O-CG 3.44Å; D493-R497 PolarHBondContact O-N 2.93Å; D493-R497 IonicContact OD1-CZ 3.32Å; D493-R497 VanDerWaalsContact OD1-CZ 3.32Å; D493-R497 IonicContact OD1-NE 3.88Å; D493-R497 PolarHBondContact OD1-NE 2.88Å; D493-R497 IonicContact OD1-NH2 3.06Å; D493-R497 PolarHBondContact OD1-NH2 2.98Å; D493-R497 IonicContact OD2-CZ 2.93Å; D493-R497 IonicContact OD2-NE 3.25Å; D493-R497 PolarHBondContact OD2-NE 3.08Å; D493-R497 IonicContact OD2-NH1 3.67Å; D493-R497 IonicContact OD2-NH2 2.86Å; D493-R497 PolarHBondContact OD2-NH2 3.4Å; R497-R499 PolarHBondContact O-N 3.38Å
498N83.4Confident80.1Confident120 Ų12095 Ų9564%0.64248%0.477SS*.THydrogen-bonded Turntrans-79.94.6176.3-67.3-10.2000113.3K494 S496 V500K494-N498 WeakPolarHBondContact O-CB 3.35Å; K494-N498 VanDerWaalsContact O-CG 3.24Å; K494-N498 PolarHBondContact O-N 3.44Å; K494-N498 PolarHBondContact O-ND2 3.16Å; S496-N498 VanDerWaalsContact C-N 3.31Å; S496-N498 PolarHBondContact O-N 3.18Å; N498-V500 HydrophobicContact CB-CG2 4.02Å; N498-V500 PolarHBondContact O-N 3.32Å; N498-V500 VanDerWaalsContact O-N 3.14Å
499R75.5Confident79.2Confident228 Ų228100.7 Ų100.786%0.8649%0.492SS*.THydrogen-bonded Turntrans54.126.8-176.8-59.6-172.9175.3-168.2-2.3114.3L495 S496 R497L495-R499 PolarHBondContact O-N 3.28Å; S496-R499 PolarHBondContact O-N 3.38Å; S496-R499 VanDerWaalsContact O-N 3.08Å; R497-R499 PolarHBondContact O-N 3.38Å
500V77.3Confident78.2Confident99 Ų9998.6 Ų98.660%0.649%0.491SS*.SBendtrans-76.8-34.4174.1179.50000110.2L495 N498L495-V500 HydrophobicContact CD2-CB 4.01Å; L495-V500 HydrophobicContact CD2-CG1 3.94Å; L495-V500 HydrophobicContact CD2-CG2 4.4Å; L495-V500 PolarHBondContact O-N 2.85Å; N498-V500 HydrophobicContact CB-CG2 4.02Å; N498-V500 PolarHBondContact O-N 3.32Å; N498-V500 VanDerWaalsContact O-N 3.14Å
501I78.4Confident77.4Confident63 Ų63101.5 Ų101.532%0.32350%0.499SS..SBendtrans-123.6137.6172.763.4-177.9000108.9F492 L495F492-I501 HydrophobicContact CD1-CD1 3.61Å; F492-I501 HydrophobicContact CE1-CD1 4.17Å; L495-I501 HydrophobicContact CB-CD1 3.59Å; L495-I501 HydrophobicContact CB-CG1 3.73Å; L495-I501 HydrophobicContact CB-CG2 4.48Å; L495-I501 HydrophobicContact CD1-CD1 4.35Å; L495-I501 PolarHBondContact O-N 3.06Å
502Q79.1Confident76.5Confident138 Ų138103.2 Ų103.265%0.64551%0.509SS*.  trans-126.7123.1175.5-174.3169.54.200108.5M504Q502-M504 HydrophobicContact CG-SD 4.22Å; Q502-M504 PolarHBondContact O-N 2.87Å
503P75.8Confident76.3Confident75 Ų7598.7 Ų98.749%0.48749%0.492SS..  trans-62.2124.8172-19.331.5000109.5L515P503-L515 HydrophobicContact CB-CB 3.81Å; P503-L515 HydrophobicContact CB-CD2 4.08Å; P503-L515 PolarHBondContact O-N 3.48Å
504M80.6Confident76.1Confident92 Ų9296.3 Ų96.345%0.45348%0.48SS..EExtended strand (participates in β ladder)trans-111.1143.5177.6-60-63.2-75.300109.7Q502 L512 T513Q502-M504 HydrophobicContact CG-SD 4.22Å; Q502-M504 PolarHBondContact O-N 2.87Å; M504-L512 HydrophobicContact CB-CD2 4.11Å; M504-T513 CarbonylContact C-O 3.36Å; M504-T513 VanDerWaalsContact CA-O 3.24Å; M504-T513 WeakPolarHBondContact CA-O 3.49Å; M504-T513 WeakPolarHBondContact CB-O 3.35Å; M504-T513 VanDerWaalsContact CE-C 3.44Å; M504-T513 VanDerWaalsContact CE-O 3.31Å; M504-T513 WeakPolarHBondContact CE-O 3.37Å
505G76.4Confident75.7Confident11 Ų1194 Ų9411%0.11347%0.473CS..EExtended strand (participates in β ladder)trans-119.3163.3171.300000110.7T513G505-T513 PolarHBondContact N-O 3.3Å; G505-T513 PolarHBondContact O-N 3.49Å
506M69Low75.3Confident141 Ų14198 Ų9870%0.69549%0.49SS*.EExtended strand (participates in β ladder)trans-87.8125.4166.2-75.9176.1126.800108.2
507S73.6Confident75.1Confident9 Ų999.3 Ų99.36%0.06349%0.493CS..  trans-66158.717066.40000110.7R509 G510 H511 E521S507-R509 PolarHBondContact O-N 3.31Å; S507-G510 PolarHBondContact O-N 2.84Å; S507-H511 PolarHBondContact N-O 3.49Å; S507-H511 PolarHBondContact OG-N 3.42Å; S507-H511 VanDerWaalsContact OG-N 3.15Å; S507-H511 PolarHBondContact OG-O 2.93Å; S507-E521 WeakPolarHBondContact CB-OE2 3.46Å
508P66.3Low74.8Confident53 Ų5390.8 Ų90.834%0.34446%0.462SS..THydrogen-bonded Turntrans-58.5-14.6173.3-22.932.7000114.2E521 Q525P508-E521 HydrophobicContact CG-CB 4.46Å; P508-Q525 VanDerWaalsContact CG-OE1 3.3Å
509R66.3Low74.5Confident204 Ų20490.4 Ų90.477%0.7746%0.458SS*.THydrogen-bonded Turntrans-936.2175.7-64.1-176.4173.5173.10.4113.6S507 H511S507-R509 PolarHBondContact O-N 3.31Å; R509-H511 PolarHBondContact O-ND1 3.31Å
510G66.4Low74.5Confident54 Ų5482.9 Ų82.956%0.55744%0.44SS*.SBendtrans79.512.2177.200000115.4S507S507-G510 PolarHBondContact O-N 2.84Å
511H69.8Low74.3Confident128 Ų12881.6 Ų81.659%0.59343%0.427SS*.  trans-97.3146.7176.9-65.596.5000111.1S507 R509 T513S507-H511 PolarHBondContact N-O 3.49Å; S507-H511 PolarHBondContact OG-N 3.42Å; S507-H511 VanDerWaalsContact OG-N 3.15Å; S507-H511 PolarHBondContact OG-O 2.93Å; R509-H511 PolarHBondContact O-ND1 3.31Å; H511-T513 PolarHBondContact O-N 3.46Å
512L68Low74Confident128 Ų12881.2 Ų81.267%0.6743%0.428SS*.EExtended strand (participates in β ladder)trans-76114.2172.8-89.7148.8000109.9M504M504-L512 HydrophobicContact CB-CD2 4.11Å
513T76.9Confident73.6Confident31 Ų3180.1 Ų80.119%0.1942%0.424CS..EExtended strand (participates in β ladder)trans-126.3174.3176.862.90000110.1M504 G505 H511M504-T513 CarbonylContact C-O 3.36Å; M504-T513 VanDerWaalsContact CA-O 3.24Å; M504-T513 WeakPolarHBondContact CA-O 3.49Å; M504-T513 WeakPolarHBondContact CB-O 3.35Å; M504-T513 VanDerWaalsContact CE-C 3.44Å; M504-T513 VanDerWaalsContact CE-O 3.31Å; M504-T513 WeakPolarHBondContact CE-O 3.37Å; G505-T513 PolarHBondContact N-O 3.3Å; G505-T513 PolarHBondContact O-N 3.49Å; H511-T513 PolarHBondContact O-N 3.46Å
514S79.8Confident73.2Confident10 Ų1082.8 Ų82.87%0.0743%0.43CS..EExtended strand (participates in β ladder)trans-64.9149.6175.987.10000109.9Q516 D517 A518S514-Q516 PolarHBondContact O-N 3.05Å; S514-D517 WeakPolarHBondContact CB-OD2 3.48Å; S514-D517 PolarHBondContact O-N 2.89Å; S514-D517 PolarHBondContact OG-N 3.36Å; S514-D517 PolarHBondContact OG-OD2 2.95Å; S514-A518 WeakPolarHBondContact O-CB 3.37Å; S514-A518 PolarHBondContact O-N 3.36Å
515L77.4Confident72.3Confident80 Ų8082.9 Ų82.942%0.41943%0.429SS..Hα-helixtrans-57.7-35.3-178.7-169.878.3000111.7P503 M519P503-L515 HydrophobicContact CB-CB 3.81Å; P503-L515 HydrophobicContact CB-CD2 4.08Å; P503-L515 PolarHBondContact O-N 3.48Å; L515-M519 HydrophobicContact CG-SD 4.25Å; L515-M519 WeakPolarHBondContact O-CB 3.45Å; L515-M519 WeakPolarHBondContact O-CG 3.25Å; L515-M519 PolarHBondContact O-N 2.9Å
516Q76.7Confident71.5Confident153 Ų15388.8 Ų88.872%0.71545%0.454SS*.Hα-helixtrans-64.9-44.9176.1-73.5168.7-7.600111.2S514 M519 C520S514-Q516 PolarHBondContact O-N 3.05Å; Q516-M519 PolarHBondContact O-N 3.31Å; Q516-C520 PolarHBondContact O-N 3.4Å; Q516-C520 PolarHBondContact O-SG 2.93Å; Q516-C520 VanDerWaalsContact O-SG 3.38Å
517D77.9Confident70.9Confident84 Ų8488.6 Ų88.645%0.44946%0.455SS..Hα-helixtrans-68.8-42.6179.1-56.2-35.9000111.3S514 M519 C520 E521S514-D517 WeakPolarHBondContact CB-OD2 3.48Å; S514-D517 PolarHBondContact O-N 2.89Å; S514-D517 PolarHBondContact OG-N 3.36Å; S514-D517 PolarHBondContact OG-OD2 2.95Å; D517-M519 VanDerWaalsContact C-N 3.31Å; D517-M519 PolarHBondContact O-N 3.21Å; D517-C520 PolarHBondContact O-N 3.06Å; D517-E521 WeakPolarHBondContact O-CB 3.42Å; D517-E521 WeakPolarHBondContact O-CG 3.36Å; D517-E521 PolarHBondContact O-N 3.32Å
518A77.3Confident70Confident6 Ų692.7 Ų92.75%0.0548%0.484CS..Hα-helixtrans-60.1-40.817500000111.7S514 T522S514-A518 WeakPolarHBondContact O-CB 3.37Å; S514-A518 PolarHBondContact O-N 3.36Å; A518-T522 WeakPolarHBondContact O-CB 3.43Å; A518-T522 PolarHBondContact O-N 3.27Å; A518-T522 PolarHBondContact O-OG1 3.13Å
519M75.9Confident69.2Low111 Ų11194.1 Ų94.155%0.54750%0.495SS..Hα-helixtrans-67.9-41.9175.7-73.9178.97200112.1L515 Q516 D517 T522 M523L515-M519 HydrophobicContact CG-SD 4.25Å; L515-M519 WeakPolarHBondContact O-CB 3.45Å; L515-M519 WeakPolarHBondContact O-CG 3.25Å; L515-M519 PolarHBondContact O-N 2.9Å; Q516-M519 PolarHBondContact O-N 3.31Å; D517-M519 VanDerWaalsContact C-N 3.31Å; D517-M519 PolarHBondContact O-N 3.21Å; M519-T522 PolarHBondContact O-N 2.77Å; M519-M523 WeakPolarHBondContact O-CB 3.41Å; M519-M523 WeakPolarHBondContact O-CG 3.26Å; M519-M523 PolarHBondContact O-N 2.97Å
520C76.1Confident68Low71 Ų7191.1 Ų91.148%0.4849%0.494SS..Hα-helixtrans-61.2-49.1174.6-75.70000111.8Q516 D517 T522 M523 E524Q516-C520 PolarHBondContact O-N 3.4Å; Q516-C520 PolarHBondContact O-SG 2.93Å; Q516-C520 VanDerWaalsContact O-SG 3.38Å; D517-C520 PolarHBondContact O-N 3.06Å; C520-T522 VanDerWaalsContact C-N 3.28Å; C520-T522 PolarHBondContact O-N 3Å; C520-M523 PolarHBondContact O-N 3.2Å; C520-E524 WeakPolarHBondContact O-CB 3.38Å; C520-E524 WeakPolarHBondContact O-CG 3.44Å; C520-E524 PolarHBondContact O-N 3.01Å
521E71.9Confident67.1Low71 Ų7193.4 Ų93.433%0.33250%0.499SS..Hα-helixtrans-62.4-35.3178.6-73.2-179-16700112.3S507 P508 D517 Q525S507-E521 WeakPolarHBondContact CB-OE2 3.46Å; P508-E521 HydrophobicContact CG-CB 4.46Å; D517-E521 WeakPolarHBondContact O-CB 3.42Å; D517-E521 WeakPolarHBondContact O-CG 3.36Å; D517-E521 PolarHBondContact O-N 3.32Å; E521-Q525 PolarHBondContact O-N 2.84Å
522T72.1Confident65.7Low56 Ų5695.2 Ų95.234%0.34451%0.513SS..Hα-helixtrans-71.1-39.2176.6-51.70000111.4A518 M519 C520 Q525 Q526A518-T522 WeakPolarHBondContact O-CB 3.43Å; A518-T522 PolarHBondContact O-N 3.27Å; A518-T522 PolarHBondContact O-OG1 3.13Å; M519-T522 PolarHBondContact O-N 2.77Å; C520-T522 VanDerWaalsContact C-N 3.28Å; C520-T522 PolarHBondContact O-N 3Å; T522-Q525 PolarHBondContact O-N 2.86Å; T522-Q526 WeakPolarHBondContact O-CG 3.5Å; T522-Q526 PolarHBondContact O-N 3.06Å; T522-Q526 VanDerWaalsContact O-N 3.15Å
523M71.1Confident64.7Low115 Ų11594.2 Ų94.257%0.56752%0.517SS*.Hα-helixtrans-68.5-38174.8-73.5-177.87800112.1M519 C520 Q525 Q526 L527M519-M523 WeakPolarHBondContact O-CB 3.41Å; M519-M523 WeakPolarHBondContact O-CG 3.26Å; M519-M523 PolarHBondContact O-N 2.97Å; C520-M523 PolarHBondContact O-N 3.2Å; M523-Q525 VanDerWaalsContact C-N 3.35Å; M523-Q526 PolarHBondContact O-N 2.75Å; M523-L527 WeakPolarHBondContact O-CG 3.5Å; M523-L527 PolarHBondContact O-N 2.96Å
524E68.2Low62.7Low130 Ų130100.3 Ų100.361%0.60755%0.549SS*.Hα-helixtrans-66-34.7175.1-74.8177177.600112.4C520 S528C520-E524 WeakPolarHBondContact O-CB 3.38Å; C520-E524 WeakPolarHBondContact O-CG 3.44Å; C520-E524 PolarHBondContact O-N 3.01Å; E524-S528 PolarHBondContact O-N 2.98Å; E524-S528 VanDerWaalsContact O-N 3.16Å; E524-S528 PolarHBondContact O-OG 3.44Å
525Q61Low61.3Low95 Ų95105.1 Ų105.144%0.44458%0.579SS.*Hα-helixtrans-68.2-37.3171.9-81.8-171.2-10.200113.2P508 E521 T522 M523 L527 S528 S529P508-Q525 VanDerWaalsContact CG-OE1 3.3Å; E521-Q525 PolarHBondContact O-N 2.84Å; T522-Q525 PolarHBondContact O-N 2.86Å; M523-Q525 VanDerWaalsContact C-N 3.35Å; Q525-L527 VanDerWaalsContact C-N 3.34Å; Q525-S528 WeakPolarHBondContact CA-OG 3.34Å; Q525-S528 PolarHBondContact O-N 2.98Å; Q525-S528 PolarHBondContact O-OG 2.89Å; Q525-S528 VanDerWaalsContact O-OG 3.13Å; Q525-S529 PolarHBondContact O-N 2.98Å; Q525-S529 PolarHBondContact O-OG 3.11Å
526Q58.9Low59.4Low134 Ų134112.9 Ų112.963%0.62662%0.621SS**Hα-helixtrans-69.2-32.6176.7-73.8-179-12.200112.6T522 M523 S529T522-Q526 WeakPolarHBondContact O-CG 3.5Å; T522-Q526 PolarHBondContact O-N 3.06Å; T522-Q526 VanDerWaalsContact O-N 3.15Å; M523-Q526 PolarHBondContact O-N 2.75Å; Q526-S529 PolarHBondContact O-OG 3.35Å
527L56.9Low58.6Low137 Ų137110.9 Ų110.972%0.71762%0.617SS**Hα-helixtrans-77.4-19.2175.5-73.7161.3000113.6M523 Q525M523-L527 WeakPolarHBondContact O-CG 3.5Å; M523-L527 PolarHBondContact O-N 2.96Å; Q525-L527 VanDerWaalsContact C-N 3.34Å
528S54.8Low57.5Low96 Ų96112.3 Ų112.367%0.67163%0.626SS**THydrogen-bonded Turntrans-94.80.2175.648.70000113.6E524 Q525E524-S528 PolarHBondContact O-N 2.98Å; E524-S528 VanDerWaalsContact O-N 3.16Å; E524-S528 PolarHBondContact O-OG 3.44Å; Q525-S528 WeakPolarHBondContact CA-OG 3.34Å; Q525-S528 PolarHBondContact O-N 2.98Å; Q525-S528 PolarHBondContact O-OG 2.89Å; Q525-S528 VanDerWaalsContact O-OG 3.13Å
529S49Very low56.4Low83 Ų83118.2 Ų118.258%0.5866%0.658SS**  trans-108.326.9178.962.50000114.4Q525 Q526Q525-S529 PolarHBondContact O-N 2.98Å; Q525-S529 PolarHBondContact O-OG 3.11Å; Q526-S529 PolarHBondContact O-OG 3.35Å
530D42Very low55.3Low140 Ų140118.6 Ų118.675%0.74966%0.664SS**  trans-82.7120.4161.9-95.8-22.6000108.4D532D530-D532 PolarHBondContact O-N 3.39Å
531P47Very low54Low102 Ų102121.6 Ų121.666%0.66268%0.676SS**  trans-80.1117.317831.3-28.1000109S533P531-S533 PolarHBondContact O-N 3.49Å
532D41.6Very low52.8Low167 Ų167125 Ų12589%0.89370%0.699SS**  trans-50.9111.8155.4-86.4-34.9000107.6D530 D534D530-D532 PolarHBondContact O-N 3.39Å; D532-D534 PolarHBondContact O-N 2.83Å
533S45.9Very low51.4Low107 Ų107129.9 Ų129.975%0.74872%0.724SS**  trans-83.7100.8173.2-58.90000107.3P531P531-S533 PolarHBondContact O-N 3.49Å
534D34.9Very low49.9Very low159 Ų159131.1 Ų131.185%0.8574%0.736SS**  trans-89.8123.8160.9-91.4-25.3000109D532D532-D534 PolarHBondContact O-N 2.83Å
535P50.2Low48.4Very low110 Ų110131.2 Ų131.271%0.71475%0.747SS**  trans-88.5137.5167.533.6-26.7000110.9
536D38.5Very low47.2Very low244 Ų244134.5 Ų134.5100%1.30577%0.774SS**  trans64.60169.1-66-19.7000120.1

Retrieved 536 of 536 residues in 1032.4 ms (Link to these results)

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