A0A077Z3E6_TRITR Loading...

NSFL1 cofactor p47

AlphaFold DB , UniProt , Accession A0A077Z3E6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.7Very low58.4Low213 Ų21394.1 Ų94.1100%1.04953%0.534SS*.  0133.80-68.4-171.2177.200108.5V6M1-V6 HydrophobicContact CB-CG2 4.43Å
2P61.1Low58.3Low83 Ų8388.2 Ų88.254%0.53951%0.509SS..  trans-66.2140178.127.3-31.3000110S4 A5 V6P2-S4 PolarHBondContact O-N 3.24Å; P2-S4 VanDerWaalsContact O-N 3.1Å; P2-A5 HydrophobicContact CG-CB 3.8Å; P2-A5 WeakPolarHBondContact O-CB 3.46Å; P2-A5 PolarHBondContact O-N 2.71Å; P2-V6 PolarHBondContact O-N 3.04Å
3V62.9Low58.5Low125 Ų12591 Ų9176%0.75851%0.512SS*.Hα-helixtrans-55.2-31-177.9179.70000111.9V6 F7V3-V6 PolarHBondContact O-N 3.43Å; V3-F7 PolarHBondContact O-N 3.46Å; V3-F7 VanDerWaalsContact O-N 3.12Å
4S54.6Low58.9Low82 Ų8292.8 Ų92.857%0.57351%0.512SS*.Hα-helixtrans-61.9-39.7173.651.90000113.1P2 T8P2-S4 PolarHBondContact O-N 3.24Å; P2-S4 VanDerWaalsContact O-N 3.1Å; S4-T8 VanDerWaalsContact O-CG2 3.31Å; S4-T8 WeakPolarHBondContact O-CG2 3.36Å; S4-T8 PolarHBondContact O-N 2.9Å; S4-T8 PolarHBondContact O-OG1 3.34Å; S4-T8 VanDerWaalsContact O-OG1 3.11Å
5A57.7Low59.1Low40 Ų4096.9 Ų96.933%0.33153%0.525SS..Hα-helixtrans-70.8-32.7178.500000112.3P2 T8 S9P2-A5 HydrophobicContact CG-CB 3.8Å; P2-A5 WeakPolarHBondContact O-CB 3.46Å; P2-A5 PolarHBondContact O-N 2.71Å; A5-T8 WeakPolarHBondContact CA-OG1 3.32Å; A5-T8 PolarHBondContact O-OG1 3.38Å; A5-T8 VanDerWaalsContact O-OG1 3.05Å; A5-S9 VanDerWaalsContact O-CB 3.25Å; A5-S9 WeakPolarHBondContact O-CB 3.48Å; A5-S9 PolarHBondContact O-N 2.95Å; A5-S9 PolarHBondContact O-OG 3.45Å
6V60.7Low59.5Low68 Ų6896.9 Ų96.941%0.41252%0.519SS..Hα-helixtrans-66.6-50.3175178.80000109.6M1 P2 V3 T8 S9 E10M1-V6 HydrophobicContact CB-CG2 4.43Å; P2-V6 PolarHBondContact O-N 3.04Å; V3-V6 PolarHBondContact O-N 3.43Å; V6-T8 PolarHBondContact O-N 2.89Å; V6-S9 PolarHBondContact O-N 3.32Å; V6-S9 VanDerWaalsContact O-N 3.17Å; V6-S9 PolarHBondContact O-OG 3.5Å; V6-E10 HydrophobicContact CG1-CG 4.39Å; V6-E10 WeakPolarHBondContact O-CG 3.32Å; V6-E10 PolarHBondContact O-N 3.44Å
7F58.6Low60Low140 Ų14097.1 Ų97.161%0.61453%0.527SS*.Hα-helixtrans-61.1-41179.9-172.7-104.6000112.9V3 E10 L11V3-F7 PolarHBondContact O-N 3.46Å; V3-F7 VanDerWaalsContact O-N 3.12Å; F7-E10 PolarHBondContact O-N 3.37Å; F7-L11 HydrophobicContact CD1-CD1 3.71Å; F7-L11 HydrophobicContact CD2-CD1 4.02Å; F7-L11 HydrophobicContact CE1-CD1 3.31Å; F7-L11 HydrophobicContact CE2-CD1 3.64Å; F7-L11 HydrophobicContact CG-CD1 4.06Å; F7-L11 HydrophobicContact CZ-CD1 3.28Å; F7-L11 WeakPolarHBondContact O-CD1 3.26Å; F7-L11 PolarHBondContact O-N 3.1Å
8T58.3Low60.9Low82 Ų8295.2 Ų95.250%0.50352%0.52SS..Hα-helixtrans-68.1-37.3176.255.40000112.2S4 A5 V6 G12S4-T8 VanDerWaalsContact O-CG2 3.31Å; S4-T8 WeakPolarHBondContact O-CG2 3.36Å; S4-T8 PolarHBondContact O-N 2.9Å; S4-T8 PolarHBondContact O-OG1 3.34Å; S4-T8 VanDerWaalsContact O-OG1 3.11Å; A5-T8 WeakPolarHBondContact CA-OG1 3.32Å; A5-T8 PolarHBondContact O-OG1 3.38Å; A5-T8 VanDerWaalsContact O-OG1 3.05Å; V6-T8 PolarHBondContact O-N 2.89Å; T8-G12 PolarHBondContact O-N 2.97Å
9S60.2Low61.8Low51 Ų5190.7 Ų90.736%0.35750%0.495SS..Hα-helixtrans-66.2-37.7176.674.70000112.4A5 V6 G12 K13A5-S9 VanDerWaalsContact O-CB 3.25Å; A5-S9 WeakPolarHBondContact O-CB 3.48Å; A5-S9 PolarHBondContact O-N 2.95Å; A5-S9 PolarHBondContact O-OG 3.45Å; V6-S9 PolarHBondContact O-N 3.32Å; V6-S9 VanDerWaalsContact O-N 3.17Å; V6-S9 PolarHBondContact O-OG 3.5Å; S9-G12 PolarHBondContact O-N 2.85Å; S9-K13 WeakPolarHBondContact O-CG 3.43Å; S9-K13 PolarHBondContact O-N 3.08Å
10E61.6Low62.6Low95 Ų9589.3 Ų89.344%0.44449%0.487SS..Hα-helixtrans-75.3-39.5178.9-66.4-52.7126.900112V6 F7 G12 K13 F14V6-E10 HydrophobicContact CG1-CG 4.39Å; V6-E10 WeakPolarHBondContact O-CG 3.32Å; V6-E10 PolarHBondContact O-N 3.44Å; F7-E10 PolarHBondContact O-N 3.37Å; E10-G12 PolarHBondContact O-N 2.99Å; E10-K13 PolarHBondContact O-N 3.42Å; E10-K13 VanDerWaalsContact O-N 3.11Å; E10-K13 IonicContact OE1-NZ 3.39Å; E10-K13 PolarHBondContact OE1-NZ 2.96Å; E10-K13 IonicContact OE2-NZ 3.8Å; E10-F14 PolarHBondContact O-N 3.5Å
11L59.3Low63.6Low56 Ų5687.1 Ų87.129%0.29349%0.485SS..Hα-helixtrans-61.1-35.8170.3-102.294.6000112.3F7 K13 F14 V140F7-L11 HydrophobicContact CD1-CD1 3.71Å; F7-L11 HydrophobicContact CD2-CD1 4.02Å; F7-L11 HydrophobicContact CE1-CD1 3.31Å; F7-L11 HydrophobicContact CE2-CD1 3.64Å; F7-L11 HydrophobicContact CG-CD1 4.06Å; F7-L11 HydrophobicContact CZ-CD1 3.28Å; F7-L11 WeakPolarHBondContact O-CD1 3.26Å; F7-L11 PolarHBondContact O-N 3.1Å; L11-K13 PolarHBondContact O-N 3.13Å; L11-F14 PolarHBondContact O-N 3.18Å; L11-V140 HydrophobicContact CD2-CG2 3.96Å
12G56.7Low65.4Low23 Ų2379.3 Ų79.324%0.23745%0.447CS..THydrogen-bonded Turntrans-66.9-18.917700000114.1T8 S9 E10T8-G12 PolarHBondContact O-N 2.97Å; S9-G12 PolarHBondContact O-N 2.85Å; E10-G12 PolarHBondContact O-N 2.99Å
13K60.8Low66.4Low125 Ų12577 Ų7754%0.54343%0.429SS..THydrogen-bonded Turntrans-95.1-12.8175.2-66.2171.6-168.91630113.2S9 E10 L11 H15S9-K13 WeakPolarHBondContact O-CG 3.43Å; S9-K13 PolarHBondContact O-N 3.08Å; E10-K13 PolarHBondContact O-N 3.42Å; E10-K13 VanDerWaalsContact O-N 3.11Å; E10-K13 IonicContact OE1-NZ 3.39Å; E10-K13 PolarHBondContact OE1-NZ 2.96Å; E10-K13 IonicContact OE2-NZ 3.8Å; L11-K13 PolarHBondContact O-N 3.13Å; K13-H15 PolarHBondContact O-CD2 3.03Å; K13-H15 PolarHBondContact O-N 2.94Å
14F63.8Low67.4Low116 Ų11678.3 Ų78.351%0.50943%0.425SS..  trans-70.9101.6-175.1-171.3-99.6000110.6E10 L11 F16 F19 R144E10-F14 PolarHBondContact O-N 3.5Å; L11-F14 PolarHBondContact O-N 3.18Å; F14-F16 HydrophobicContact CD1-CB 3.84Å; F14-F16 HydrophobicContact CD1-CG 4.45Å; F14-F16 HydrophobicContact CE1-CB 3.64Å; F14-F16 AromaticContact CE1-CD2 3.61Å; F14-F16 HydrophobicContact CE1-CD2 3.61Å; F14-F16 AromaticContact CE1-CG 3.78Å; F14-F16 HydrophobicContact CE1-CG 3.78Å; F14-F16 HydrophobicContact CZ-CD2 4.14Å; F14-F16 PolarHBondContact O-N 2.96Å; F14-F19 AromaticContact CD1-CE2 3.91Å; F14-F19 HydrophobicContact CD1-CE2 3.91Å; F14-R144 PolarHBondContact O-NH2 3.32Å
15H62Low69Low154 Ų15476.7 Ų76.771%0.71342%0.416SS*.  trans-75.9100.2174.9-72.3-169.1000109.7K13K13-H15 PolarHBondContact O-CD2 3.03Å; K13-H15 PolarHBondContact O-N 2.94Å
16F65.8Low70.4Confident97 Ų9775.2 Ų75.243%0.42540%0.403SS..  trans-111122.3170.8-155.8-128.2000107.5F14 P18 F19F14-F16 HydrophobicContact CD1-CB 3.84Å; F14-F16 HydrophobicContact CD1-CG 4.45Å; F14-F16 HydrophobicContact CE1-CB 3.64Å; F14-F16 AromaticContact CE1-CD2 3.61Å; F14-F16 HydrophobicContact CE1-CD2 3.61Å; F14-F16 AromaticContact CE1-CG 3.78Å; F14-F16 HydrophobicContact CE1-CG 3.78Å; F14-F16 HydrophobicContact CZ-CD2 4.14Å; F14-F16 PolarHBondContact O-N 2.96Å; F16-P18 VanDerWaalsContact C-N 3.3Å; F16-P18 HydrophobicContact CD1-CG 3.11Å; F16-P18 HydrophobicContact CE1-CG 3.29Å; F16-P18 HydrophobicContact CG-CG 4.01Å; F16-P18 HydrophobicContact CZ-CG 4.32Å; F16-P18 WeakPolarHBondContact O-CD 3.41Å; F16-P18 VanDerWaalsContact O-N 3.1Å; F16-F19 HydrophobicContact CB-CD1 4.26Å; F16-F19 HydrophobicContact CB-CD2 3.44Å; F16-F19 VanDerWaalsContact CB-CD2 3.44Å; F16-F19 HydrophobicContact CB-CE1 4.18Å; F16-F19 HydrophobicContact CB-CE2 3.39Å; F16-F19 HydrophobicContact CB-CG 3.9Å; F16-F19 HydrophobicContact CB-CZ 3.76Å; F16-F19 HydrophobicContact CD1-CD1 4.27Å; F16-F19 AromaticContact CD1-CE1 3.79Å; F16-F19 HydrophobicContact CD1-CE1 3.79Å; F16-F19 HydrophobicContact CD1-CE2 4.38Å; F16-F19 AromaticContact CD1-CZ 3.86Å; F16-F19 HydrophobicContact CD1-CZ 3.86Å; F16-F19 HydrophobicContact CG-CE1 4.45Å; F16-F19 HydrophobicContact CG-CE2 4.27Å; F16-F19 HydrophobicContact CG-CZ 4.18Å; F16-F19 WeakPolarHBondContact O-CB 3.45Å; F16-F19 PolarHBondContact O-N 3.47Å
17P68.9Low71.5Confident101 Ų10172.5 Ų72.566%0.65639%0.387SS*.Hα-helixtrans-47.6-38.2-176.8-28.533.7000116.2F19 D20 G21P17-F19 PolarHBondContact O-N 3.4Å; P17-D20 PolarHBondContact O-N 2.93Å; P17-G21 PolarHBondContact O-N 3.41Å
18P75.7Confident72.9Confident62 Ų6268.6 Ų68.640%0.40338%0.381SS..Hα-helixtrans-72.4-15.917929.6-36.9000113.5F16 L22F16-P18 VanDerWaalsContact C-N 3.3Å; F16-P18 HydrophobicContact CD1-CG 3.11Å; F16-P18 HydrophobicContact CE1-CG 3.29Å; F16-P18 HydrophobicContact CG-CG 4.01Å; F16-P18 HydrophobicContact CZ-CG 4.32Å; F16-P18 WeakPolarHBondContact O-CD 3.41Å; F16-P18 VanDerWaalsContact O-N 3.1Å; P18-L22 WeakPolarHBondContact O-CB 3.46Å; P18-L22 PolarHBondContact O-N 2.77Å
19F78.5Confident74.3Confident11 Ų1167.4 Ų67.45%0.04837%0.373CS..Hα-helixtrans-71.7-43.9174.7-58-19.7000110.9F14 F16 P17 G21 L22 Q23 S137 V140F14-F19 AromaticContact CD1-CE2 3.91Å; F14-F19 HydrophobicContact CD1-CE2 3.91Å; F16-F19 HydrophobicContact CB-CD1 4.26Å; F16-F19 HydrophobicContact CB-CD2 3.44Å; F16-F19 VanDerWaalsContact CB-CD2 3.44Å; F16-F19 HydrophobicContact CB-CE1 4.18Å; F16-F19 HydrophobicContact CB-CE2 3.39Å; F16-F19 HydrophobicContact CB-CG 3.9Å; F16-F19 HydrophobicContact CB-CZ 3.76Å; F16-F19 HydrophobicContact CD1-CD1 4.27Å; F16-F19 AromaticContact CD1-CE1 3.79Å; F16-F19 HydrophobicContact CD1-CE1 3.79Å; F16-F19 HydrophobicContact CD1-CE2 4.38Å; F16-F19 AromaticContact CD1-CZ 3.86Å; F16-F19 HydrophobicContact CD1-CZ 3.86Å; F16-F19 HydrophobicContact CG-CE1 4.45Å; F16-F19 HydrophobicContact CG-CE2 4.27Å; F16-F19 HydrophobicContact CG-CZ 4.18Å; F16-F19 WeakPolarHBondContact O-CB 3.45Å; F16-F19 PolarHBondContact O-N 3.47Å; P17-F19 PolarHBondContact O-N 3.4Å; F19-G21 VanDerWaalsContact C-N 3.34Å; F19-L22 PolarHBondContact O-N 3.24Å; F19-Q23 PolarHBondContact O-N 2.89Å; F19-S137 WeakPolarHBondContact CE1-OG 3.38Å; F19-V140 HydrophobicContact CD2-CB 4.42Å; F19-V140 HydrophobicContact CD2-CG1 3.71Å; F19-V140 HydrophobicContact CE2-CB 4.3Å; F19-V140 HydrophobicContact CE2-CG1 3.84Å; F19-V140 HydrophobicContact CE2-CG2 4.45Å; F19-V140 HydrophobicContact CG-CG1 4.26Å
20D76.2Confident75.7Confident62 Ų6266.4 Ų66.433%0.33236%0.363SS..Hα-helixtrans-68.2-38.7178.5-53-26.6000110.5P17 Q23 K24 R144P17-D20 PolarHBondContact O-N 2.93Å; D20-Q23 PolarHBondContact O-N 2.87Å; D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 3.39Å; D20-R144 IonicContact OD1-CZ 2.84Å; D20-R144 IonicContact OD1-NH1 3.16Å; D20-R144 PolarHBondContact OD1-NH1 3.35Å
21G83.6Confident76.9Confident43 Ų4367.5 Ų67.544%0.44338%0.376SS..Hα-helixtrans-63-41.8172.800000112.9P17 F19 A25P17-G21 PolarHBondContact O-N 3.41Å; F19-G21 VanDerWaalsContact C-N 3.34Å; G21-A25 WeakPolarHBondContact O-CB 3.13Å; G21-A25 PolarHBondContact O-N 2.98Å
22L85.5Confident78.2Confident49 Ų4969 Ų6926%0.25740%0.397SS..Hα-helixtrans-66.9-41.4176.4-177.259.8000111.4P18 F19 A25 L26 T141P18-L22 WeakPolarHBondContact O-CB 3.46Å; P18-L22 PolarHBondContact O-N 2.77Å; F19-L22 PolarHBondContact O-N 3.24Å; L22-A25 PolarHBondContact O-N 3.43Å; L22-L26 HydrophobicContact CD1-CG 4.23Å; L22-L26 HydrophobicContact CG-CD1 4.28Å; L22-L26 HydrophobicContact CG-CG 4.39Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.26Å; L22-T141 HydrophobicContact CG-CG2 4.31Å
23Q83.4Confident79.8Confident35 Ų3571.2 Ų71.216%0.16441%0.405CS..Hα-helixtrans-56.5-54.5175.7-168.2176.9-29.900110.6F19 D20 A25 L26 S27 T141 L145F19-Q23 PolarHBondContact O-N 2.89Å; D20-Q23 PolarHBondContact O-N 2.87Å; Q23-A25 VanDerWaalsContact C-N 3.26Å; Q23-A25 PolarHBondContact O-N 2.81Å; Q23-L26 PolarHBondContact O-N 3.41Å; Q23-L26 VanDerWaalsContact O-N 3.09Å; Q23-S27 PolarHBondContact O-N 2.92Å; Q23-S27 PolarHBondContact O-OG 3.18Å; Q23-T141 HydrophobicContact CB-CG2 3.76Å; Q23-T141 HydrophobicContact CG-CG2 4.21Å; Q23-L145 HydrophobicContact CG-CD2 3.63Å; Q23-L145 HydrophobicContact CG-CG 4.08Å
24K84.2Confident80.9Confident152 Ų15268.4 Ų68.466%0.66141%0.412SS*.Hα-helixtrans-57.8-38.4177.4-70.2177.3-179.3-177.20112.6D20 A28D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 3.39Å; K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 3.31Å
25A86.5Confident82Confident48 Ų4866.9 Ų66.940%0.39741%0.408SS..Hα-helixtrans-66.6-42.3176.800000112.2G21 L22 Q23 A28 V29G21-A25 WeakPolarHBondContact O-CB 3.13Å; G21-A25 PolarHBondContact O-N 2.98Å; L22-A25 PolarHBondContact O-N 3.43Å; Q23-A25 VanDerWaalsContact C-N 3.26Å; Q23-A25 PolarHBondContact O-N 2.81Å; A25-A28 PolarHBondContact O-N 3.34Å; A25-V29 VanDerWaalsContact O-CG2 3.27Å; A25-V29 WeakPolarHBondContact O-CG2 3.44Å; A25-V29 PolarHBondContact O-N 2.92Å
26L87.6Confident83.2Confident9 Ų961.7 Ų61.75%0.04739%0.388CS..Hα-helixtrans-65.4-44.3176.6-67.1177.6000111.3L22 Q23 V29 H30 W37 V40 A44 L138 T141L22-L26 HydrophobicContact CD1-CG 4.23Å; L22-L26 HydrophobicContact CG-CD1 4.28Å; L22-L26 HydrophobicContact CG-CG 4.39Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.26Å; Q23-L26 PolarHBondContact O-N 3.41Å; Q23-L26 VanDerWaalsContact O-N 3.09Å; L26-V29 PolarHBondContact O-N 2.98Å; L26-H30 PolarHBondContact O-N 3.33Å; L26-W37 HydrophobicContact CB-CZ3 4.19Å; L26-V40 HydrophobicContact CB-CG1 4.27Å; L26-V40 HydrophobicContact CD2-CG1 4.01Å; L26-A44 HydrophobicContact CD2-CB 3.54Å; L26-L138 HydrophobicContact CD1-CD1 4.1Å; L26-T141 HydrophobicContact CD1-CG2 3.88Å
27S85.2Confident84.2Confident12 Ų1257.1 Ų57.18%0.08437%0.368CS..Hα-helixtrans-60.5-45.1174.8-530000111.5Q23 V29 H30 T31 E171Q23-S27 PolarHBondContact O-N 2.92Å; Q23-S27 PolarHBondContact O-OG 3.18Å; S27-V29 VanDerWaalsContact C-N 3.32Å; S27-V29 PolarHBondContact O-N 3.43Å; S27-H30 WeakPolarHBondContact O-CB 3.34Å; S27-H30 PolarHBondContact O-N 3.42Å; S27-T31 PolarHBondContact O-N 3.11Å; S27-T31 PolarHBondContact O-OG1 3.06Å; S27-E171 WeakPolarHBondContact CB-OE1 3.45Å; S27-E171 PolarHBondContact OG-OE1 3Å
28A87.1Confident85.2Confident58 Ų5856.9 Ų56.948%0.47935%0.354SS..Hα-helixtrans-61.4-39.4175.800000112.2K24 A25 A32K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 3.31Å; A25-A28 PolarHBondContact O-N 3.34Å; A28-A32 WeakPolarHBondContact O-CB 3.11Å; A28-A32 PolarHBondContact O-N 3.45Å
29V88.1Confident85.7Confident57 Ų5754.7 Ų54.735%0.34534%0.341SS..Hα-helixtrans-65.5-44.1174.6169.60000110.7A25 L26 S27 A32 T33 V40A25-V29 VanDerWaalsContact O-CG2 3.27Å; A25-V29 WeakPolarHBondContact O-CG2 3.44Å; A25-V29 PolarHBondContact O-N 2.92Å; L26-V29 PolarHBondContact O-N 2.98Å; S27-V29 VanDerWaalsContact C-N 3.32Å; S27-V29 PolarHBondContact O-N 3.43Å; V29-A32 PolarHBondContact O-N 3.25Å; V29-T33 HydrophobicContact CG1-CG2 4.21Å; V29-T33 VanDerWaalsContact O-CB 3.3Å; V29-T33 WeakPolarHBondContact O-CB 3.47Å; V29-T33 WeakPolarHBondContact O-CG2 3.41Å; V29-T33 PolarHBondContact O-N 2.92Å; V29-T33 PolarHBondContact O-OG1 3.48Å; V29-V40 HydrophobicContact CB-CG1 4.49Å; V29-V40 HydrophobicContact CG1-CG1 4.22Å; V29-V40 HydrophobicContact CG1-CG2 4.45Å
30H88.6Confident86.3Confident30 Ų3054.1 Ų54.114%0.13934%0.338CS..Hα-helixtrans-58.4-52.6176.6-177.2-91.7000111.1L26 S27 A32 G34 M35 W37 V40 E178L26-H30 PolarHBondContact O-N 3.33Å; S27-H30 WeakPolarHBondContact O-CB 3.34Å; S27-H30 PolarHBondContact O-N 3.42Å; H30-A32 PolarHBondContact O-N 3.39Å; H30-G34 WeakPolarHBondContact O-CA 3.47Å; H30-G34 PolarHBondContact O-N 3.38Å; H30-M35 PolarHBondContact CD2-O 3.37Å; H30-M35 PolarHBondContact NE2-O 2.98Å; H30-W37 HydrophobicContact CB-CH2 4.39Å; H30-W37 HydrophobicContact CB-CZ2 4.27Å; H30-W37 AromaticContact CD2-CD1 3.8Å; H30-W37 AromaticContact CD2-CD2 3.86Å; H30-W37 AromaticContact CD2-CE2 3.71Å; H30-W37 AromaticContact CD2-CG 3.92Å; H30-W37 AromaticContact CD2-NE1 3.67Å; H30-W37 AromaticContact CE1-NE1 3.82Å; H30-W37 AromaticContact CG-CE2 3.97Å; H30-W37 AromaticContact NE2-CD1 3.52Å; H30-W37 AromaticContact NE2-CE2 3.98Å; H30-W37 AromaticContact NE2-NE1 3.45Å; H30-W37 PolarHBondContact NE2-NE1 3.31Å; H30-V40 HydrophobicContact CB-CG2 3.96Å; H30-E178 IonicContact CD2-OE2 3.43Å; H30-E178 IonicContact CE1-OE1 2.77Å; H30-E178 IonicContact CE1-OE2 3.83Å; H30-E178 IonicContact NE2-OE1 3.29Å; H30-E178 IonicContact NE2-OE2 2.79Å; H30-E178 PolarHBondContact NE2-OE2 2.87Å
31T86.8Confident86.8Confident117 Ų11752.8 Ų52.872%0.71833%0.331SS*.Hα-helixtrans-65.6-39.5179.6-48.90000112.8S27S27-T31 PolarHBondContact O-N 3.11Å; S27-T31 PolarHBondContact O-OG1 3.06Å
32A88.1Confident87.1Confident88 Ų8854.8 Ų54.873%0.72733%0.334SS*.Hα-helixtrans-76.3-34.5-177.600000113.2A28 V29 H30A28-A32 WeakPolarHBondContact O-CB 3.11Å; A28-A32 PolarHBondContact O-N 3.45Å; V29-A32 PolarHBondContact O-N 3.25Å; H30-A32 PolarHBondContact O-N 3.39Å
33T88.5Confident87.3Confident69 Ų6954.1 Ų54.142%0.42333%0.334SS..Hα-helixtrans-94-20.1-177.863.70000113.3V29 M35V29-T33 HydrophobicContact CG1-CG2 4.21Å; V29-T33 VanDerWaalsContact O-CB 3.3Å; V29-T33 WeakPolarHBondContact O-CB 3.47Å; V29-T33 WeakPolarHBondContact O-CG2 3.41Å; V29-T33 PolarHBondContact O-N 2.92Å; V29-T33 PolarHBondContact O-OG1 3.48Å; T33-M35 HydrophobicContact CG2-CE 4.35Å; T33-M35 HydrophobicContact CG2-SD 4.49Å; T33-M35 PolarHBondContact O-N 3.49Å; T33-M35 WeakPolarHBondContact OG1-CB 3.24Å; T33-M35 WeakPolarHBondContact OG1-CG 3.3Å; T33-M35 PolarHBondContact OG1-N 2.89Å
34G85.8Confident87.6Confident67 Ų6753.6 Ų53.669%0.69134%0.335SS*.  trans62.916.9-170.900000113.1H30H30-G34 WeakPolarHBondContact O-CA 3.47Å; H30-G34 PolarHBondContact O-N 3.38Å
35M85.5Confident87.8Confident83 Ų8349 Ų4941%0.40932%0.32SS..  trans-78143.3-178.8-72.9-178.5-170.800110.7H30 T33 A39 V40H30-M35 PolarHBondContact CD2-O 3.37Å; H30-M35 PolarHBondContact NE2-O 2.98Å; T33-M35 HydrophobicContact CG2-CE 4.35Å; T33-M35 HydrophobicContact CG2-SD 4.49Å; T33-M35 PolarHBondContact O-N 3.49Å; T33-M35 WeakPolarHBondContact OG1-CB 3.24Å; T33-M35 WeakPolarHBondContact OG1-CG 3.3Å; T33-M35 PolarHBondContact OG1-N 2.89Å; M35-A39 HydrophobicContact CB-CB 4.16Å; M35-A39 HydrophobicContact SD-CB 4.49Å; M35-V40 HydrophobicContact CB-CG2 4.19Å
36P88.1Confident88Confident45 Ų4551.4 Ų51.429%0.29233%0.325SS..  trans-61.5150.1174.227.6-35.7000111.2W38 A39 V40 E178P36-W38 HydrophobicContact CG-CD2 4.5Å; P36-W38 HydrophobicContact CG-CG 4.42Å; P36-W38 HydrophobicContact CG-CZ2 4.26Å; P36-W38 PolarHBondContact O-N 3.21Å; P36-W38 VanDerWaalsContact O-N 3.1Å; P36-A39 HydrophobicContact CG-CB 4.07Å; P36-A39 WeakPolarHBondContact O-CA 3.39Å; P36-A39 WeakPolarHBondContact O-CB 3.08Å; P36-A39 PolarHBondContact O-N 3.13Å; P36-V40 PolarHBondContact O-N 3.24Å; P36-V40 VanDerWaalsContact O-N 3.14Å; P36-E178 VanDerWaalsContact CA-OE2 3.28Å; P36-E178 WeakPolarHBondContact CA-OE2 3.36Å; P36-E178 HydrophobicContact CB-CB 3.87Å; P36-E178 HydrophobicContact CB-CG 4.3Å
37W87.3Confident88.1Confident1 Ų156.2 Ų56.20%0.00435%0.349CS..Hα-helixtrans-50.9-37.4-177.8-83.7105.3000115.1L26 H30 A39 V40 I41 L145 E171 A174 M175 E178 L186L26-W37 HydrophobicContact CB-CZ3 4.19Å; H30-W37 HydrophobicContact CB-CH2 4.39Å; H30-W37 HydrophobicContact CB-CZ2 4.27Å; H30-W37 AromaticContact CD2-CD1 3.8Å; H30-W37 AromaticContact CD2-CD2 3.86Å; H30-W37 AromaticContact CD2-CE2 3.71Å; H30-W37 AromaticContact CD2-CG 3.92Å; H30-W37 AromaticContact CD2-NE1 3.67Å; H30-W37 AromaticContact CE1-NE1 3.82Å; H30-W37 AromaticContact CG-CE2 3.97Å; H30-W37 AromaticContact NE2-CD1 3.52Å; H30-W37 AromaticContact NE2-CE2 3.98Å; H30-W37 AromaticContact NE2-NE1 3.45Å; H30-W37 PolarHBondContact NE2-NE1 3.31Å; W37-A39 VanDerWaalsContact C-N 3.26Å; W37-A39 PolarHBondContact O-N 3.01Å; W37-V40 HydrophobicContact CE3-CB 4.34Å; W37-V40 HydrophobicContact CE3-CG1 4.32Å; W37-V40 HydrophobicContact CZ3-CG1 4.3Å; W37-V40 PolarHBondContact O-N 3.44Å; W37-I41 WeakPolarHBondContact O-CG1 3.48Å; W37-I41 PolarHBondContact O-N 2.94Å; W37-L145 HydrophobicContact CH2-CD1 3.98Å; W37-L145 HydrophobicContact CZ3-CD1 3.84Å; W37-E171 HydrophobicContact CZ2-CB 3.84Å; W37-E171 HydrophobicContact CZ2-CG 3.87Å; W37-E171 PolarHBondContact NE1-O 3.29Å; W37-A174 VanDerWaalsContact NE1-CB 3.33Å; W37-M175 HydrophobicContact CB-CG 4.02Å; W37-M175 HydrophobicContact CD2-CG 3.64Å; W37-M175 HydrophobicContact CD2-SD 4.26Å; W37-M175 HydrophobicContact CE3-CG 4.34Å; W37-M175 HydrophobicContact CE3-SD 4.39Å; W37-M175 HydrophobicContact CG-CB 4.48Å; W37-M175 HydrophobicContact CG-CG 3.45Å; W37-M175 VanDerWaalsContact CG-CG 3.45Å; W37-M175 HydrophobicContact CG-SD 4.49Å; W37-E178 HydrophobicContact CB-CB 4.31Å; W37-E178 PolarHBondContact N-OE2 3.37Å; W37-L186 HydrophobicContact CB-CD1 3.82Å
38W88.1Confident88.2Confident97 Ų9756.8 Ų56.837%0.36736%0.355SS..Hα-helixtrans-57.9-39.6175.374-99.7000112.1P36 I41 V42 E178 G179 C180P36-W38 HydrophobicContact CG-CD2 4.5Å; P36-W38 HydrophobicContact CG-CG 4.42Å; P36-W38 HydrophobicContact CG-CZ2 4.26Å; P36-W38 PolarHBondContact O-N 3.21Å; P36-W38 VanDerWaalsContact O-N 3.1Å; W38-I41 PolarHBondContact O-N 3.14Å; W38-V42 HydrophobicContact CE3-CG2 4.25Å; W38-V42 VanDerWaalsContact O-CG2 3.25Å; W38-V42 WeakPolarHBondContact O-CG2 3.4Å; W38-V42 PolarHBondContact O-N 3.39Å; W38-E178 VanDerWaalsContact CD1-O 3.26Å; W38-E178 PolarHBondContact N-O 3.4Å; W38-G179 VanDerWaalsContact CD1-O 3.31Å; W38-C180 HydrophobicContact CB-CB 4.23Å; W38-C180 HydrophobicContact CD2-CB 3.77Å; W38-C180 HydrophobicContact CE3-CB 4.43Å; W38-C180 HydrophobicContact CG-CB 3.64Å
39A87.9Confident88.2Confident15 Ų1559.3 Ų59.312%0.12436%0.355CS..Hα-helixtrans-75-33.5179.600000111.5M35 P36 W37 V42 S43M35-A39 HydrophobicContact CB-CB 4.16Å; M35-A39 HydrophobicContact SD-CB 4.49Å; P36-A39 HydrophobicContact CG-CB 4.07Å; P36-A39 WeakPolarHBondContact O-CA 3.39Å; P36-A39 WeakPolarHBondContact O-CB 3.08Å; P36-A39 PolarHBondContact O-N 3.13Å; W37-A39 VanDerWaalsContact C-N 3.26Å; W37-A39 PolarHBondContact O-N 3.01Å; A39-V42 PolarHBondContact O-N 2.84Å; A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.45Å; A39-S43 PolarHBondContact O-N 2.79Å; A39-S43 PolarHBondContact O-OG 3.29Å; A39-S43 VanDerWaalsContact O-OG 3.06Å
40V89.7Confident88.4Confident0 Ų061.3 Ų61.30%036%0.363CS..Hα-helixtrans-62.1-45.3171.7178.30000110.6L26 V29 H30 M35 P36 W37 V42 S43 A44L26-V40 HydrophobicContact CB-CG1 4.27Å; L26-V40 HydrophobicContact CD2-CG1 4.01Å; V29-V40 HydrophobicContact CB-CG1 4.49Å; V29-V40 HydrophobicContact CG1-CG1 4.22Å; V29-V40 HydrophobicContact CG1-CG2 4.45Å; H30-V40 HydrophobicContact CB-CG2 3.96Å; M35-V40 HydrophobicContact CB-CG2 4.19Å; P36-V40 PolarHBondContact O-N 3.24Å; P36-V40 VanDerWaalsContact O-N 3.14Å; W37-V40 HydrophobicContact CE3-CB 4.34Å; W37-V40 HydrophobicContact CE3-CG1 4.32Å; W37-V40 HydrophobicContact CZ3-CG1 4.3Å; W37-V40 PolarHBondContact O-N 3.44Å; V40-V42 PolarHBondContact O-N 3.28Å; V40-S43 WeakPolarHBondContact CA-OG 3.4Å; V40-S43 PolarHBondContact O-N 3.46Å; V40-S43 PolarHBondContact O-OG 3.37Å; V40-A44 WeakPolarHBondContact O-CB 3.45Å; V40-A44 PolarHBondContact O-N 3.33Å
41I88.1Confident88.4Confident34 Ų3463.4 Ų63.417%0.17439%0.385CS..Hα-helixtrans-64-43.6176.7-65.4164.9000111.2W37 W38 T45 V142 L186W37-I41 WeakPolarHBondContact O-CG1 3.48Å; W37-I41 PolarHBondContact O-N 2.94Å; W38-I41 PolarHBondContact O-N 3.14Å; I41-T45 WeakPolarHBondContact O-CB 3.36Å; I41-T45 PolarHBondContact O-N 3.21Å; I41-T45 PolarHBondContact O-OG1 2.91Å; I41-V142 HydrophobicContact CD1-CG2 4.39Å; I41-V142 HydrophobicContact CG1-CG2 4.4Å; I41-L186 HydrophobicContact CD1-CD2 3.89Å
42V88.8Confident88.5Confident85 Ų8558.4 Ų58.452%0.51536%0.355SS..Hα-helixtrans-63.2-44.7177.2169.20000111.1W38 A39 V40 T45 L46W38-V42 HydrophobicContact CE3-CG2 4.25Å; W38-V42 VanDerWaalsContact O-CG2 3.25Å; W38-V42 WeakPolarHBondContact O-CG2 3.4Å; W38-V42 PolarHBondContact O-N 3.39Å; A39-V42 PolarHBondContact O-N 2.84Å; V40-V42 PolarHBondContact O-N 3.28Å; V42-T45 WeakPolarHBondContact O-CB 3.46Å; V42-T45 PolarHBondContact O-N 3.13Å; V42-L46 PolarHBondContact O-N 3.43Å
43S90.2Very high88.5Confident35 Ų3560.2 Ų60.225%0.24535%0.347CS..Hα-helixtrans-66.3-41.6179.165.50000112.1A39 V40 T45 L46 M47A39-S43 VanDerWaalsContact O-CB 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.45Å; A39-S43 PolarHBondContact O-N 2.79Å; A39-S43 PolarHBondContact O-OG 3.29Å; A39-S43 VanDerWaalsContact O-OG 3.06Å; V40-S43 WeakPolarHBondContact CA-OG 3.4Å; V40-S43 PolarHBondContact O-N 3.46Å; V40-S43 PolarHBondContact O-OG 3.37Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.47Å; S43-L46 PolarHBondContact O-N 2.91Å; S43-L46 VanDerWaalsContact O-N 3.13Å; S43-M47 WeakPolarHBondContact O-CG 3.48Å; S43-M47 PolarHBondContact O-N 3.47Å
44A89.2Confident88.6Confident23 Ų2360.6 Ų60.619%0.1935%0.35CS..Hα-helixtrans-58.8-42172.800000111.5L26 V40 M47 A48L26-A44 HydrophobicContact CD2-CB 3.54Å; V40-A44 WeakPolarHBondContact O-CB 3.45Å; V40-A44 PolarHBondContact O-N 3.33Å; A44-M47 PolarHBondContact O-N 2.83Å; A44-A48 WeakPolarHBondContact O-CB 3.28Å; A44-A48 PolarHBondContact O-N 3.4Å
45T89Confident88.7Confident57 Ų5760.1 Ų60.135%0.3533%0.331SS..Hα-helixtrans-63.5-43.9174.7-56.50000111.1I41 V42 S43 A48 K49I41-T45 WeakPolarHBondContact O-CB 3.36Å; I41-T45 PolarHBondContact O-N 3.21Å; I41-T45 PolarHBondContact O-OG1 2.91Å; V42-T45 WeakPolarHBondContact O-CB 3.46Å; V42-T45 PolarHBondContact O-N 3.13Å; S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact O-N 3.47Å; T45-A48 PolarHBondContact O-N 3.41Å; T45-K49 VanDerWaalsContact O-CG 3.25Å; T45-K49 WeakPolarHBondContact O-CG 3.39Å; T45-K49 PolarHBondContact O-N 3.39Å
46L90.1Very high88.7Confident97 Ų9757.6 Ų57.651%0.50832%0.324SS..Hα-helixtrans-64.3-42.6178.2-17463.7000111.8V42 S43 A48 K49 L50V42-L46 PolarHBondContact O-N 3.43Å; S43-L46 PolarHBondContact O-N 2.91Å; S43-L46 VanDerWaalsContact O-N 3.13Å; L46-A48 PolarHBondContact O-N 3.07Å; L46-K49 CarbonylContact O-C 3.59Å; L46-K49 WeakPolarHBondContact O-CB 3.2Å; L46-K49 PolarHBondContact O-N 3.16Å; L46-K49 VanDerWaalsContact O-N 3.13Å; L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 3.16Å
47M90.1Very high88.7Confident111 Ų11158.5 Ų58.555%0.54733%0.325SS..Hα-helixtrans-61.7-43.3175.5-71.6-56.9111.400111.7S43 A44 K49 L50 A51S43-M47 WeakPolarHBondContact O-CG 3.48Å; S43-M47 PolarHBondContact O-N 3.47Å; A44-M47 PolarHBondContact O-N 2.83Å; M47-K49 VanDerWaalsContact C-N 3.31Å; M47-K49 PolarHBondContact O-N 3.24Å; M47-L50 HydrophobicContact CE-CD1 3.55Å; M47-L50 PolarHBondContact O-N 3.16Å; M47-L50 HydrophobicContact SD-CD1 4.26Å; M47-A51 WeakPolarHBondContact O-CB 3.33Å; M47-A51 PolarHBondContact O-N 2.93Å
48A87.8Confident88.7Confident24 Ų2461.7 Ų61.720%0.19835%0.345CS..Hα-helixtrans-61-39.2172.800000112.4A44 T45 L46 A51 T52 I134A44-A48 WeakPolarHBondContact O-CB 3.28Å; A44-A48 PolarHBondContact O-N 3.4Å; T45-A48 PolarHBondContact O-N 3.41Å; L46-A48 PolarHBondContact O-N 3.07Å; A48-A51 PolarHBondContact O-N 2.95Å; A48-T52 WeakPolarHBondContact O-CB 3.34Å; A48-T52 WeakPolarHBondContact O-CG2 3.46Å; A48-T52 PolarHBondContact O-N 2.77Å; A48-T52 PolarHBondContact O-OG1 3.41Å; A48-I134 HydrophobicContact CB-CG2 3.76Å
49K87.2Confident88.6Confident110 Ų11057.5 Ų57.548%0.47833%0.33SS..Hα-helixtrans-65.1-42.1175.1-69.5-73.1-175174.30111.5T45 L46 M47 T52 F53T45-K49 VanDerWaalsContact O-CG 3.25Å; T45-K49 WeakPolarHBondContact O-CG 3.39Å; T45-K49 PolarHBondContact O-N 3.39Å; L46-K49 CarbonylContact O-C 3.59Å; L46-K49 WeakPolarHBondContact O-CB 3.2Å; L46-K49 PolarHBondContact O-N 3.16Å; L46-K49 VanDerWaalsContact O-N 3.13Å; M47-K49 VanDerWaalsContact C-N 3.31Å; M47-K49 PolarHBondContact O-N 3.24Å; K49-T52 CarbonylContact O-C 3.6Å; K49-T52 PolarHBondContact O-N 3.43Å; K49-T52 PolarHBondContact O-OG1 3.48Å; K49-F53 WeakPolarHBondContact O-CA 3.39Å; K49-F53 WeakPolarHBondContact O-CB 3.27Å; K49-F53 PolarHBondContact O-N 3.35Å
50L91Very high88.6Confident99 Ų9959.3 Ų59.352%0.51834%0.336SS..Hα-helixtrans-64.5-42.4175.8-69.7173.6000111.8L46 M47 T52 F53 P54L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 3.16Å; M47-L50 HydrophobicContact CE-CD1 3.55Å; M47-L50 PolarHBondContact O-N 3.16Å; M47-L50 HydrophobicContact SD-CD1 4.26Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 2.8Å; L50-F53 VanDerWaalsContact O-CB 3.3Å; L50-F53 WeakPolarHBondContact O-CB 3.3Å; L50-F53 PolarHBondContact O-N 2.97Å; L50-P54 WeakPolarHBondContact O-CD 3.37Å
51A89.6Confident88.5Confident74 Ų7467.5 Ų67.561%0.61237%0.367SS*.Hα-helixtrans-64.2-36.3175.900000112.6M47 A48M47-A51 WeakPolarHBondContact O-CB 3.33Å; M47-A51 PolarHBondContact O-N 2.93Å; A48-A51 PolarHBondContact O-N 2.95Å
52T88.1Confident88.3Confident13 Ų1366.1 Ų66.18%0.0836%0.36CS..Hα-helixtrans-88.1-9178.455.70000113.8A48 K49 L50 L55 A56 I134A48-T52 WeakPolarHBondContact O-CB 3.34Å; A48-T52 WeakPolarHBondContact O-CG2 3.46Å; A48-T52 PolarHBondContact O-N 2.77Å; A48-T52 PolarHBondContact O-OG1 3.41Å; K49-T52 CarbonylContact O-C 3.6Å; K49-T52 PolarHBondContact O-N 3.43Å; K49-T52 PolarHBondContact O-OG1 3.48Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 2.8Å; T52-L55 WeakPolarHBondContact O-CB 3.42Å; T52-L55 PolarHBondContact O-N 2.89Å; T52-L55 VanDerWaalsContact O-N 3.16Å; T52-A56 PolarHBondContact O-N 3.1Å; T52-I134 HydrophobicContact CG2-CD1 3.72Å
53F89.6Confident88.1Confident126 Ų12662.7 Ų62.755%0.55334%0.34SS*.Hα-helixtrans-55.5-49179.7-175.1-106.2000114.5K49 L50 L55 A56 I57K49-F53 WeakPolarHBondContact O-CA 3.39Å; K49-F53 WeakPolarHBondContact O-CB 3.27Å; K49-F53 PolarHBondContact O-N 3.35Å; L50-F53 VanDerWaalsContact O-CB 3.3Å; L50-F53 WeakPolarHBondContact O-CB 3.3Å; L50-F53 PolarHBondContact O-N 2.97Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.17Å; F53-A56 WeakPolarHBondContact O-CB 3.48Å; F53-A56 PolarHBondContact O-N 2.82Å; F53-A56 VanDerWaalsContact O-N 3.07Å; F53-I57 HydrophobicContact CD1-CD1 3.96Å; F53-I57 HydrophobicContact CE1-CD1 3.51Å; F53-I57 HydrophobicContact CE1-CG1 4.33Å; F53-I57 HydrophobicContact CZ-CD1 3.93Å; F53-I57 HydrophobicContact CZ-CG1 4.37Å; F53-I57 PolarHBondContact O-N 3.31Å
54P88.7Confident87.9Confident77 Ų7762.1 Ų62.150%0.534%0.335SS..Hα-helixtrans-61.4-36.817723.1-34.1000112.2L50 A56 I57 V58L50-P54 WeakPolarHBondContact O-CD 3.37Å; P54-A56 VanDerWaalsContact C-N 3.34Å; P54-I57 PolarHBondContact O-N 3.16Å; P54-V58 PolarHBondContact O-N 3.24Å
55L87.9Confident87.7Confident56 Ų5666.1 Ų66.129%0.29335%0.345SS..Hα-helixtrans-67.2-36.8175.2-173.762.9000111.6T52 F53 I57 V58 S59 A130T52-L55 WeakPolarHBondContact O-CB 3.42Å; T52-L55 PolarHBondContact O-N 2.89Å; T52-L55 VanDerWaalsContact O-N 3.16Å; F53-L55 VanDerWaalsContact C-N 3.26Å; F53-L55 PolarHBondContact O-N 3.17Å; L55-I57 VanDerWaalsContact C-N 3.34Å; L55-V58 PolarHBondContact O-N 3.12Å; L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 3.32Å; L55-A130 HydrophobicContact CD2-CB 3.53Å
56A87.1Confident87.5Confident30 Ų3068.1 Ų68.125%0.24835%0.347CS..Hα-helixtrans-62.1-41.2174.700000111.4T52 F53 P54 V58 S59 Q60 L127T52-A56 PolarHBondContact O-N 3.1Å; F53-A56 WeakPolarHBondContact O-CB 3.48Å; F53-A56 PolarHBondContact O-N 2.82Å; F53-A56 VanDerWaalsContact O-N 3.07Å; P54-A56 VanDerWaalsContact C-N 3.34Å; A56-V58 PolarHBondContact O-N 2.9Å; A56-S59 PolarHBondContact O-N 3.06Å; A56-Q60 VanDerWaalsContact O-CB 3.3Å; A56-Q60 WeakPolarHBondContact O-CB 3.45Å; A56-Q60 PolarHBondContact O-N 3.45Å; A56-L127 HydrophobicContact CB-CD1 4.02Å; A56-L127 HydrophobicContact CB-CD2 4.04Å
57I88.3Confident87.2Confident64 Ų6465.7 Ų65.733%0.32833%0.334SS..Hα-helixtrans-60.7-46.4174.8-66.3167.7000111F53 P54 L55 Q60 R61F53-I57 HydrophobicContact CD1-CD1 3.96Å; F53-I57 HydrophobicContact CE1-CD1 3.51Å; F53-I57 HydrophobicContact CE1-CG1 4.33Å; F53-I57 HydrophobicContact CZ-CD1 3.93Å; F53-I57 HydrophobicContact CZ-CG1 4.37Å; F53-I57 PolarHBondContact O-N 3.31Å; P54-I57 PolarHBondContact O-N 3.16Å; L55-I57 VanDerWaalsContact C-N 3.34Å; I57-Q60 PolarHBondContact O-N 2.99Å; I57-R61 HydrophobicContact CG2-CG 4.47Å; I57-R61 WeakPolarHBondContact O-CG 3.33Å; I57-R61 PolarHBondContact O-N 3.12Å
58V86.3Confident86.9Confident68 Ų6864.6 Ų64.641%0.41233%0.33SS..Hα-helixtrans-62.7-45.3178.81740000111.2P54 L55 A56 Q60 R61 N62P54-V58 PolarHBondContact O-N 3.24Å; L55-V58 PolarHBondContact O-N 3.12Å; A56-V58 PolarHBondContact O-N 2.9Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.4Å; V58-R61 PolarHBondContact O-N 2.8Å; V58-N62 PolarHBondContact O-N 3.19Å
59S86.6Confident86.9Confident9 Ų963.5 Ų63.56%0.06332%0.321CS..Hα-helixtrans-61.2-41.7176.5177.50000111.7L55 A56 N62 S63 R123 T124L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 3.32Å; A56-S59 PolarHBondContact O-N 3.06Å; S59-N62 PolarHBondContact O-N 3.04Å; S59-S63 WeakPolarHBondContact O-CB 3.37Å; S59-S63 PolarHBondContact O-N 2.79Å; S59-S63 PolarHBondContact O-OG 3.5Å; S59-R123 WeakPolarHBondContact CA-O 2.86Å; S59-T124 PolarHBondContact OG-O 2.92Å
60Q86.7Confident86.9Confident53 Ų5361.6 Ų61.625%0.24831%0.313CS..Hα-helixtrans-65.2-45.7178.8-168.764.63.900111.6A56 I57 V58 N62 S63 V64 F213A56-Q60 VanDerWaalsContact O-CB 3.3Å; A56-Q60 WeakPolarHBondContact O-CB 3.45Å; A56-Q60 PolarHBondContact O-N 3.45Å; I57-Q60 PolarHBondContact O-N 2.99Å; V58-Q60 VanDerWaalsContact C-N 3.32Å; V58-Q60 PolarHBondContact O-N 3.4Å; Q60-N62 VanDerWaalsContact C-N 3.33Å; Q60-N62 PolarHBondContact O-N 3.46Å; Q60-S63 WeakPolarHBondContact O-CB 3.41Å; Q60-S63 PolarHBondContact O-N 3.45Å; Q60-V64 WeakPolarHBondContact O-CG2 3.33Å; Q60-V64 PolarHBondContact O-N 2.79Å; Q60-F213 HydrophobicContact CG-CE1 4.07Å
61R87.4Confident86.8Confident173 Ų17360.1 Ų60.165%0.65331%0.309SS*.Hα-helixtrans-57.9-44.5175.4-73.5174.9177.7-178.70.5111.9I57 V58 S63 V64 R65I57-R61 HydrophobicContact CG2-CG 4.47Å; I57-R61 WeakPolarHBondContact O-CG 3.33Å; I57-R61 PolarHBondContact O-N 3.12Å; V58-R61 PolarHBondContact O-N 2.8Å; R61-S63 VanDerWaalsContact C-N 3.33Å; R61-V64 PolarHBondContact O-N 2.91Å; R61-R65 PolarHBondContact O-N 2.97Å; R61-R65 VanDerWaalsContact O-N 3.15Å
62N85.6Confident86.7Confident5 Ų557.9 Ų57.93%0.02729%0.293CS..Hα-helixtrans-66.2-37.1178.1-166.776.1000112.1V58 S59 Q60 V64 R65 Y66 F119 H120 R123 T124V58-N62 PolarHBondContact O-N 3.19Å; S59-N62 PolarHBondContact O-N 3.04Å; Q60-N62 VanDerWaalsContact C-N 3.33Å; Q60-N62 PolarHBondContact O-N 3.46Å; N62-V64 VanDerWaalsContact C-N 3.34Å; N62-R65 PolarHBondContact O-N 3.01Å; N62-Y66 PolarHBondContact O-N 2.9Å; N62-F119 VanDerWaalsContact OD1-CA 3.3Å; N62-F119 WeakPolarHBondContact OD1-CA 3.3Å; N62-F119 WeakPolarHBondContact OD1-CB 3.41Å; N62-H120 PolarHBondContact ND2-O 2.82Å; N62-H120 PolarHBondContact OD1-N 3.42Å; N62-R123 HydrophobicContact CB-CB 4.2Å; N62-T124 PolarHBondContact ND2-N 3.13Å; N62-T124 PolarHBondContact ND2-OG1 3.35Å
63S84.3Confident86.8Confident13 Ų1357.9 Ų57.99%0.09129%0.292CS..Hα-helixtrans-65.2-37.9176.5-58.90000112.1S59 Q60 R61 Y66 L67 T124S59-S63 WeakPolarHBondContact O-CB 3.37Å; S59-S63 PolarHBondContact O-N 2.79Å; S59-S63 PolarHBondContact O-OG 3.5Å; Q60-S63 WeakPolarHBondContact O-CB 3.41Å; Q60-S63 PolarHBondContact O-N 3.45Å; R61-S63 VanDerWaalsContact C-N 3.33Å; S63-Y66 PolarHBondContact O-N 3.36Å; S63-L67 WeakPolarHBondContact O-CG 2.96Å; S63-L67 PolarHBondContact O-N 3.04Å; S63-T124 WeakPolarHBondContact OG-CG2 3.45Å
64V84.9Confident86.9Confident23 Ų2357 Ų5714%0.13929%0.29CS..Hα-helixtrans-61.8-49.71721750000110.6Q60 R61 N62 Y66 L67 L68 H217Q60-V64 WeakPolarHBondContact O-CG2 3.33Å; Q60-V64 PolarHBondContact O-N 2.79Å; R61-V64 PolarHBondContact O-N 2.91Å; N62-V64 VanDerWaalsContact C-N 3.34Å; V64-Y66 VanDerWaalsContact C-N 3.28Å; V64-Y66 PolarHBondContact O-N 3.38Å; V64-L67 PolarHBondContact O-N 2.99Å; V64-L68 HydrophobicContact CG1-CD1 4.49Å; V64-L68 WeakPolarHBondContact O-CG 3.34Å; V64-L68 PolarHBondContact O-N 3.36Å; V64-H217 HydrophobicContact CG1-CB 4.41Å
65R84.6Confident87.1Confident106 Ų10661.1 Ų61.140%0.430%0.3SS..Hα-helixtrans-55.8-41.9176.3-67.8179-179.6-172.5-4.6112.5R61 N62 L68 A69 D118 F119R61-R65 PolarHBondContact O-N 2.97Å; R61-R65 VanDerWaalsContact O-N 3.15Å; N62-R65 PolarHBondContact O-N 3.01Å; R65-L68 PolarHBondContact O-N 2.79Å; R65-A69 PolarHBondContact O-N 2.92Å; R65-D118 IonicContact CZ-OD2 3.81Å; R65-D118 PolarHBondContact NH1-O 3.47Å; R65-D118 IonicContact NH1-OD2 2.65Å; R65-D118 PolarHBondContact NH1-OD2 3.35Å; R65-F119 HydrophobicContact CB-CB 3.95Å
66Y85.4Confident87.3Confident100 Ų10060.8 Ų60.839%0.39230%0.301SS..Hα-helixtrans-60.9-44.1174.8169.5-109.5000112.1N62 S63 V64 L68 A69 K70 I73 F119N62-Y66 PolarHBondContact O-N 2.9Å; S63-Y66 PolarHBondContact O-N 3.36Å; V64-Y66 VanDerWaalsContact C-N 3.28Å; V64-Y66 PolarHBondContact O-N 3.38Å; Y66-L68 VanDerWaalsContact C-N 3.29Å; Y66-L68 PolarHBondContact O-N 2.91Å; Y66-A69 CarbonylContact O-C 3.55Å; Y66-A69 PolarHBondContact O-N 3.46Å; Y66-K70 WeakPolarHBondContact O-CB 3.37Å; Y66-K70 PolarHBondContact O-N 3.4Å; Y66-I73 HydrophobicContact CD2-CD1 4.46Å; Y66-I73 HydrophobicContact CE2-CD1 4.31Å; Y66-F119 HydrophobicContact CD2-CD2 4.37Å; Y66-F119 AromaticContact CD2-CE2 3.6Å; Y66-F119 HydrophobicContact CD2-CE2 3.6Å; Y66-F119 AromaticContact CD2-CZ 3.96Å; Y66-F119 HydrophobicContact CD2-CZ 3.96Å; Y66-F119 HydrophobicContact CG-CE2 4.35Å
67L84.1Confident87.6Confident46 Ų4661.4 Ų61.424%0.24130%0.299CS..Hα-helixtrans-64-34.1178.3-71.2-172.7000113.1S63 V64 K70 P71 F214S63-L67 WeakPolarHBondContact O-CG 2.96Å; S63-L67 PolarHBondContact O-N 3.04Å; V64-L67 PolarHBondContact O-N 2.99Å; L67-K70 HydrophobicContact CD2-CD 4.37Å; L67-K70 WeakPolarHBondContact O-CB 3.5Å; L67-P71 WeakPolarHBondContact O-CD 2.85Å; L67-F214 HydrophobicContact CD1-CB 3.94Å; L67-F214 HydrophobicContact CD1-CD1 3.19Å; L67-F214 HydrophobicContact CD1-CE1 3.87Å; L67-F214 HydrophobicContact CD1-CG 3.84Å; L67-F214 HydrophobicContact CG-CD1 4.28Å
68L84.5Confident88Confident88 Ų8861.2 Ų61.246%0.46131%0.307SS..Hα-helixtrans-65.9-42.1173.1-60.5178000111.5V64 R65 Y66 P71 A221V64-L68 HydrophobicContact CG1-CD1 4.49Å; V64-L68 WeakPolarHBondContact O-CG 3.34Å; V64-L68 PolarHBondContact O-N 3.36Å; R65-L68 PolarHBondContact O-N 2.79Å; Y66-L68 VanDerWaalsContact C-N 3.29Å; Y66-L68 PolarHBondContact O-N 2.91Å; L68-P71 WeakPolarHBondContact O-CD 3.43Å; L68-A221 HydrophobicContact CD2-CB 3.11Å
69A86.3Confident88.4Confident1 Ų166.4 Ų66.41%0.00832%0.32CS..Hα-helixtrans-77.1-23.1179.300000113.5R65 Y66 G72 I73 Y117 F119R65-A69 PolarHBondContact O-N 2.92Å; Y66-A69 CarbonylContact O-C 3.55Å; Y66-A69 PolarHBondContact O-N 3.46Å; A69-G72 WeakPolarHBondContact O-CA 3.47Å; A69-G72 PolarHBondContact O-N 3.3Å; A69-I73 HydrophobicContact CB-CD1 3.92Å; A69-I73 WeakPolarHBondContact O-CG1 3.46Å; A69-I73 PolarHBondContact O-N 3.06Å; A69-Y117 HydrophobicContact CB-CD1 3.97Å; A69-Y117 HydrophobicContact CB-CD2 4.18Å; A69-Y117 HydrophobicContact CB-CE1 4.16Å; A69-Y117 HydrophobicContact CB-CE2 4.35Å; A69-Y117 HydrophobicContact CB-CG 3.98Å; A69-F119 HydrophobicContact CB-CD1 4.3Å; A69-F119 HydrophobicContact CB-CE1 3.5Å; A69-F119 HydrophobicContact CB-CZ 4.11Å
70K87.9Confident88.8Confident70 Ų7067 Ų6730%0.30432%0.322SS..Hα-helixtrans-47.9-53.3-176-176.7180172.7-177.80114.1Y66 L67 G72 I73 E74Y66-K70 WeakPolarHBondContact O-CB 3.37Å; Y66-K70 PolarHBondContact O-N 3.4Å; L67-K70 HydrophobicContact CD2-CD 4.37Å; L67-K70 WeakPolarHBondContact O-CB 3.5Å; K70-G72 VanDerWaalsContact C-N 3.27Å; K70-G72 PolarHBondContact O-N 3.17Å; K70-I73 PolarHBondContact O-N 3.03Å; K70-I73 VanDerWaalsContact O-N 3.16Å; K70-E74 WeakPolarHBondContact CE-OE1 3.44Å; K70-E74 HydrophobicContact CG-CG 4.44Å; K70-E74 IonicContact NZ-OE1 3.57Å; K70-E74 WeakPolarHBondContact O-CG 3.41Å; K70-E74 PolarHBondContact O-N 3.39Å
71P88.5Confident89.2Confident68 Ų6869.1 Ų69.144%0.44233%0.327SS..Hα-helixtrans-61.3-35.2179.623.6-35000112.8L67 L68 K75L67-P71 WeakPolarHBondContact O-CD 2.85Å; L68-P71 WeakPolarHBondContact O-CD 3.43Å; P71-K75 WeakPolarHBondContact O-CG 3.41Å; P71-K75 PolarHBondContact O-N 3.18Å; P71-K75 VanDerWaalsContact O-N 3.16Å
72G87.9Confident89.5Confident27 Ų2764.5 Ų64.528%0.27832%0.322SS..Hα-helixtrans-66.5-44174.500000112.2A69 K70 K75 V76A69-G72 WeakPolarHBondContact O-CA 3.47Å; A69-G72 PolarHBondContact O-N 3.3Å; K70-G72 VanDerWaalsContact C-N 3.27Å; K70-G72 PolarHBondContact O-N 3.17Å; G72-K75 PolarHBondContact O-N 2.95Å; G72-V76 VanDerWaalsContact O-CG2 3.3Å; G72-V76 WeakPolarHBondContact O-CG2 3.46Å; G72-V76 PolarHBondContact O-N 3.4Å; G72-V76 VanDerWaalsContact O-N 3.07Å
73I89.9Confident90Very high12 Ų1270.2 Ų70.26%0.06235%0.346CS..Hα-helixtrans-60.8-46.3176.4-66.2162.3000110.6Y66 A69 K70 K75 V76 L77 L110 I113 F119Y66-I73 HydrophobicContact CD2-CD1 4.46Å; Y66-I73 HydrophobicContact CE2-CD1 4.31Å; A69-I73 HydrophobicContact CB-CD1 3.92Å; A69-I73 WeakPolarHBondContact O-CG1 3.46Å; A69-I73 PolarHBondContact O-N 3.06Å; K70-I73 PolarHBondContact O-N 3.03Å; K70-I73 VanDerWaalsContact O-N 3.16Å; I73-K75 PolarHBondContact O-N 3.03Å; I73-V76 PolarHBondContact O-N 3.29Å; I73-L77 HydrophobicContact CG2-CD1 3.65Å; I73-L77 HydrophobicContact CG2-CG 4.06Å; I73-L77 WeakPolarHBondContact O-CB 3.48Å; I73-L77 VanDerWaalsContact O-CG 3.27Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 3.15Å; I73-L110 HydrophobicContact CD1-CD1 4.26Å; I73-L110 HydrophobicContact CG1-CD1 4.3Å; I73-L110 HydrophobicContact CG2-CD1 4.02Å; I73-I113 HydrophobicContact CD1-CG2 4.14Å; I73-I113 HydrophobicContact CG1-CD1 4.01Å; I73-I113 HydrophobicContact CG1-CG2 3.81Å; I73-F119 HydrophobicContact CD1-CE1 4.41Å; I73-F119 HydrophobicContact CD1-CZ 3.76Å
74E92.2Very high90.5Very high109 Ų10969.7 Ų69.751%0.50934%0.342SS..Hα-helixtrans-61-44.7179.6-74.1178.8171.900112K70 V76 L77 A78K70-E74 WeakPolarHBondContact CE-OE1 3.44Å; K70-E74 HydrophobicContact CG-CG 4.44Å; K70-E74 IonicContact NZ-OE1 3.57Å; K70-E74 WeakPolarHBondContact O-CG 3.41Å; K70-E74 PolarHBondContact O-N 3.39Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 2.94Å; E74-L77 PolarHBondContact O-N 3.14Å; E74-A78 WeakPolarHBondContact O-CB 3.41Å; E74-A78 PolarHBondContact O-N 3.17Å
75K93Very high90.9Very high163 Ų16371.5 Ų71.571%0.70935%0.351SS*.Hα-helixtrans-59.1-44.6175-73.1175.2-177.1179.60112P71 G72 I73 R79P71-K75 WeakPolarHBondContact O-CG 3.41Å; P71-K75 PolarHBondContact O-N 3.18Å; P71-K75 VanDerWaalsContact O-N 3.16Å; G72-K75 PolarHBondContact O-N 2.95Å; I73-K75 PolarHBondContact O-N 3.03Å; K75-R79 PolarHBondContact O-N 3.14Å; K75-R79 VanDerWaalsContact O-N 3.13Å
76V92.2Very high91.4Very high49 Ų4971.3 Ų71.330%0.29736%0.355SS..Hα-helixtrans-68.1-44.4-179.8170.10000111.4G72 I73 E74 A78 R79 I80 V109 I113G72-V76 VanDerWaalsContact O-CG2 3.3Å; G72-V76 WeakPolarHBondContact O-CG2 3.46Å; G72-V76 PolarHBondContact O-N 3.4Å; G72-V76 VanDerWaalsContact O-N 3.07Å; I73-V76 PolarHBondContact O-N 3.29Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 2.94Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.48Å; V76-R79 WeakPolarHBondContact O-CB 3.33Å; V76-R79 PolarHBondContact O-N 3.34Å; V76-I80 HydrophobicContact CG1-CD1 4.1Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.18Å; V76-V109 HydrophobicContact CG1-CB 4.38Å; V76-V109 HydrophobicContact CG1-CG1 3.39Å; V76-I113 HydrophobicContact CG1-CD1 4.37Å
77L94.2Very high91.8Very high43 Ų4370.3 Ų70.323%0.22535%0.354CS..Hα-helixtrans-64.2-37.8177.4-71.3178.5000112I73 E74 R79 I80 R81 A106I73-L77 HydrophobicContact CG2-CD1 3.65Å; I73-L77 HydrophobicContact CG2-CG 4.06Å; I73-L77 WeakPolarHBondContact O-CB 3.48Å; I73-L77 VanDerWaalsContact O-CG 3.27Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 3.15Å; E74-L77 PolarHBondContact O-N 3.14Å; L77-R79 VanDerWaalsContact C-N 3.35Å; L77-I80 PolarHBondContact O-N 2.96Å; L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.21Å; L77-A106 HydrophobicContact CD2-CB 3.71Å
78A95.3Very high92.3Very high60 Ų6068.9 Ų68.950%0.49635%0.348SS..Hα-helixtrans-62.4-41.3173.700000111.7E74 V76 R81 S82E74-A78 WeakPolarHBondContact O-CB 3.41Å; E74-A78 PolarHBondContact O-N 3.17Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.48Å; A78-R81 WeakPolarHBondContact O-CB 3.34Å; A78-R81 PolarHBondContact O-N 3.49Å; A78-S82 WeakPolarHBondContact O-CB 3.49Å; A78-S82 PolarHBondContact O-N 3Å
79R95.1Very high92.7Very high177 Ų17773.2 Ų73.267%0.66836%0.364SS*.Hα-helixtrans-63.8-44.3174.9-174.3-177.1-67.5-175-2.6112.2K75 V76 L77 R81 S82 K83K75-R79 PolarHBondContact O-N 3.14Å; K75-R79 VanDerWaalsContact O-N 3.13Å; V76-R79 WeakPolarHBondContact O-CB 3.33Å; V76-R79 PolarHBondContact O-N 3.34Å; L77-R79 VanDerWaalsContact C-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-S82 PolarHBondContact O-N 2.66Å; R79-K83 WeakPolarHBondContact O-CG 3.41Å; R79-K83 PolarHBondContact O-N 3.2Å; R79-K83 VanDerWaalsContact O-N 3.11Å
80I94.7Very high93.1Very high20 Ų2080.8 Ų80.810%0.10339%0.392CS..Hα-helixtrans-62.3-43176-65.6169.3000110.1V76 L77 K83 V84 Y102 N105 V109V76-I80 HydrophobicContact CG1-CD1 4.1Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.18Å; L77-I80 PolarHBondContact O-N 2.96Å; I80-K83 PolarHBondContact O-N 3.24Å; I80-V84 HydrophobicContact CG2-CG2 4.31Å; I80-V84 WeakPolarHBondContact O-CB 3.29Å; I80-V84 VanDerWaalsContact O-CG2 3.3Å; I80-V84 WeakPolarHBondContact O-CG2 3.49Å; I80-V84 PolarHBondContact O-N 3.33Å; I80-Y102 HydrophobicContact CG2-CD2 3.99Å; I80-Y102 HydrophobicContact CG2-CE2 4.23Å; I80-N105 HydrophobicContact CG2-CB 3.79Å; I80-V109 HydrophobicContact CD1-CB 3.97Å; I80-V109 HydrophobicContact CD1-CG1 4.46Å; I80-V109 HydrophobicContact CD1-CG2 3.83Å
81R94.6Very high93.4Very high98 Ų9884.4 Ų84.437%0.3741%0.405SS..Hα-helixtrans-59.7-50.6178.4-177.269.1-161.8174.88.1111.5L77 A78 R79 K83 V84 D85 Y102L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.21Å; A78-R81 WeakPolarHBondContact O-CB 3.34Å; A78-R81 PolarHBondContact O-N 3.49Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R81-K83 PolarHBondContact O-N 3.32Å; R81-V84 PolarHBondContact O-N 2.65Å; R81-D85 WeakPolarHBondContact CG-OD2 3.21Å; R81-D85 IonicContact CZ-OD1 3.35Å; R81-D85 IonicContact CZ-OD2 3.75Å; R81-D85 IonicContact NE-OD1 2.77Å; R81-D85 PolarHBondContact NE-OD1 2.86Å; R81-D85 IonicContact NE-OD2 3.97Å; R81-D85 PolarHBondContact NE-OD2 2.9Å; R81-D85 IonicContact NH1-OD1 3.97Å; R81-D85 IonicContact NH2-OD1 2.77Å; R81-D85 PolarHBondContact NH2-OD1 3.49Å; R81-D85 IonicContact NH2-OD2 3.97Å; R81-D85 PolarHBondContact NH2-OD2 3.33Å; R81-D85 WeakPolarHBondContact O-CB 3.41Å; R81-D85 VanDerWaalsContact O-CG 3.3Å; R81-D85 PolarHBondContact O-N 3.17Å; R81-Y102 HydrophobicContact CB-CD2 4.38Å; R81-Y102 HydrophobicContact CB-CE2 3.93Å
82S95.3Very high93.5Very high76 Ų7692.2 Ų92.253%0.53143%0.426SS..Hα-helixtrans-58.2-45178.4170.50000112.4A78 R79 D85 E86A78-S82 WeakPolarHBondContact O-CB 3.49Å; A78-S82 PolarHBondContact O-N 3Å; R79-S82 PolarHBondContact O-N 2.66Å; S82-D85 PolarHBondContact O-N 3.38Å; S82-E86 PolarHBondContact O-N 2.97Å
83K95Very high93.8Very high126 Ų12693 Ų9355%0.54842%0.42SS..Hα-helixtrans-62.6-45.3176.2-72.4-175.3175.1-167.80112.7R79 I80 R81 D85 E86 E87R79-K83 WeakPolarHBondContact O-CG 3.41Å; R79-K83 PolarHBondContact O-N 3.2Å; R79-K83 VanDerWaalsContact O-N 3.11Å; I80-K83 PolarHBondContact O-N 3.24Å; R81-K83 PolarHBondContact O-N 3.32Å; K83-D85 VanDerWaalsContact C-N 3.33Å; K83-D85 PolarHBondContact O-N 2.87Å; K83-E86 PolarHBondContact O-N 3.23Å; K83-E87 WeakPolarHBondContact O-CG 3.4Å; K83-E87 PolarHBondContact O-N 3.45Å
84V94.9Very high93.9Very high1 Ų196 Ų961%0.00644%0.442CS..Hα-helixtrans-66.2-37.5179.3170.40000111.3I80 R81 A88 W93 V101I80-V84 HydrophobicContact CG2-CG2 4.31Å; I80-V84 WeakPolarHBondContact O-CB 3.29Å; I80-V84 VanDerWaalsContact O-CG2 3.3Å; I80-V84 WeakPolarHBondContact O-CG2 3.49Å; I80-V84 PolarHBondContact O-N 3.33Å; R81-V84 PolarHBondContact O-N 2.65Å; V84-A88 WeakPolarHBondContact O-CB 3.4Å; V84-A88 PolarHBondContact O-N 3.25Å; V84-W93 HydrophobicContact CG1-CZ3 4.27Å; V84-V101 HydrophobicContact CG2-CG1 4.15Å
85D93.9Very high93.9Very high61 Ų6197.4 Ų97.433%0.32645%0.453SS..Hα-helixtrans-69-38177.3-71.1-24.5000111.2R81 S82 K83 A88 F89R81-D85 WeakPolarHBondContact CG-OD2 3.21Å; R81-D85 IonicContact CZ-OD1 3.35Å; R81-D85 IonicContact CZ-OD2 3.75Å; R81-D85 IonicContact NE-OD1 2.77Å; R81-D85 PolarHBondContact NE-OD1 2.86Å; R81-D85 IonicContact NE-OD2 3.97Å; R81-D85 PolarHBondContact NE-OD2 2.9Å; R81-D85 IonicContact NH1-OD1 3.97Å; R81-D85 IonicContact NH2-OD1 2.77Å; R81-D85 PolarHBondContact NH2-OD1 3.49Å; R81-D85 IonicContact NH2-OD2 3.97Å; R81-D85 PolarHBondContact NH2-OD2 3.33Å; R81-D85 WeakPolarHBondContact O-CB 3.41Å; R81-D85 VanDerWaalsContact O-CG 3.3Å; R81-D85 PolarHBondContact O-N 3.17Å; S82-D85 PolarHBondContact O-N 3.38Å; K83-D85 VanDerWaalsContact C-N 3.33Å; K83-D85 PolarHBondContact O-N 2.87Å; D85-A88 PolarHBondContact O-N 2.86Å; D85-F89 WeakPolarHBondContact O-CB 3.42Å; D85-F89 PolarHBondContact O-N 3.07Å
86E94.4Very high94Very high102 Ų102100 Ų10048%0.47746%0.458SS..Hα-helixtrans-63.9-46.5173.3-168.2-168.4157.500112.2S82 K83 F89 R90S82-E86 PolarHBondContact O-N 2.97Å; K83-E86 PolarHBondContact O-N 3.23Å; E86-F89 PolarHBondContact O-N 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.36Å; E86-R90 PolarHBondContact O-N 3.16Å; E86-R90 IonicContact OE1-CZ 3.81Å; E86-R90 IonicContact OE1-NH2 2.71Å; E86-R90 PolarHBondContact OE1-NH2 2.86Å
87E94.1Very high94Very high80 Ų80104.4 Ų104.437%0.37447%0.47SS..Hα-helixtrans-64.7-40.4175.9-72.9176.4175.400111.8K83 F89 R90 Y91 W93K83-E87 WeakPolarHBondContact O-CG 3.4Å; K83-E87 PolarHBondContact O-N 3.45Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.28Å; E87-R90 PolarHBondContact O-N 3.34Å; E87-Y91 HydrophobicContact CB-CD2 4.34Å; E87-Y91 WeakPolarHBondContact O-CB 3.39Å; E87-Y91 WeakPolarHBondContact O-CD2 3.44Å; E87-Y91 PolarHBondContact O-N 2.9Å; E87-W93 HydrophobicContact CB-CH2 3.9Å; E87-W93 HydrophobicContact CB-CZ2 4.21Å; E87-W93 HydrophobicContact CB-CZ3 4.23Å; E87-W93 WeakPolarHBondContact OE2-CH2 3.39Å
88A94.2Very high93.9Very high15 Ų15102.7 Ų102.712%0.12446%0.462CS..Hα-helixtrans-62.8-38.9176.800000111.6V84 D85 R92 W93V84-A88 WeakPolarHBondContact O-CB 3.4Å; V84-A88 PolarHBondContact O-N 3.25Å; D85-A88 PolarHBondContact O-N 2.86Å; A88-R92 CarbonylContact O-C 3.56Å; A88-R92 VanDerWaalsContact O-CA 3.26Å; A88-R92 WeakPolarHBondContact O-CA 3.34Å; A88-R92 PolarHBondContact O-N 3.48Å; A88-W93 HydrophobicContact CB-CB 4.05Å; A88-W93 HydrophobicContact CB-CD2 4.42Å; A88-W93 HydrophobicContact CB-CE3 4.02Å; A88-W93 HydrophobicContact CB-CG 4.47Å; A88-W93 PolarHBondContact O-N 3.03Å
89F93.7Very high93.9Very high180 Ų180106.7 Ų106.779%0.78947%0.468SS*.Hα-helixtrans-66.7-49.1173.3-177.3-100.6000111.6D85 E86 E87 Y91 R92D85-F89 WeakPolarHBondContact O-CB 3.42Å; D85-F89 PolarHBondContact O-N 3.07Å; E86-F89 PolarHBondContact O-N 3.31Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.28Å; F89-Y91 PolarHBondContact O-N 3.32Å; F89-R92 PolarHBondContact O-N 3.34Å
90R94.7Very high93.9Very high159 Ų159104.1 Ų104.160%0.647%0.467SS*.Hα-helixtrans-62.3-43.4-177.3-170.1-177.7-61.9-163.41.7113.1E86 E87E86-R90 WeakPolarHBondContact O-CB 3.36Å; E86-R90 PolarHBondContact O-N 3.16Å; E86-R90 IonicContact OE1-CZ 3.81Å; E86-R90 IonicContact OE1-NH2 2.71Å; E86-R90 PolarHBondContact OE1-NH2 2.86Å; E87-R90 PolarHBondContact O-N 3.34Å
91Y93.6Very high93.9Very high147 Ų147104.9 Ų104.958%0.57647%0.472SS*.THydrogen-bonded Turntrans-101.49.8-176.7-63.3-68.9000113.7E87 F89 W93E87-Y91 HydrophobicContact CB-CD2 4.34Å; E87-Y91 WeakPolarHBondContact O-CB 3.39Å; E87-Y91 WeakPolarHBondContact O-CD2 3.44Å; E87-Y91 PolarHBondContact O-N 2.9Å; F89-Y91 PolarHBondContact O-N 3.32Å; Y91-W93 VanDerWaalsContact C-N 3.27Å; Y91-W93 VanDerWaalsContact CB-NE1 3.32Å; Y91-W93 HydrophobicContact CD2-CZ2 4.49Å; Y91-W93 PolarHBondContact O-N 3.49Å
92R91.7Very high93.9Very high231 Ų231103.2 Ų103.287%0.87247%0.467SS*.THydrogen-bonded Turntrans48.247.7-179.2-59.6-176.1177.1-165.1-0.9112.8A88 F89A88-R92 CarbonylContact O-C 3.56Å; A88-R92 VanDerWaalsContact O-CA 3.26Å; A88-R92 WeakPolarHBondContact O-CA 3.34Å; A88-R92 PolarHBondContact O-N 3.48Å; F89-R92 PolarHBondContact O-N 3.34Å
93W92.9Very high93.9Very high44 Ų44106.9 Ų106.917%0.16747%0.473CS..  trans-64.1146.1179.3-71.5-1.5000111.4V84 E87 A88 Y91 R97 V101V84-W93 HydrophobicContact CG1-CZ3 4.27Å; E87-W93 HydrophobicContact CB-CH2 3.9Å; E87-W93 HydrophobicContact CB-CZ2 4.21Å; E87-W93 HydrophobicContact CB-CZ3 4.23Å; E87-W93 WeakPolarHBondContact OE2-CH2 3.39Å; A88-W93 HydrophobicContact CB-CB 4.05Å; A88-W93 HydrophobicContact CB-CD2 4.42Å; A88-W93 HydrophobicContact CB-CE3 4.02Å; A88-W93 HydrophobicContact CB-CG 4.47Å; A88-W93 PolarHBondContact O-N 3.03Å; Y91-W93 VanDerWaalsContact C-N 3.27Å; Y91-W93 VanDerWaalsContact CB-NE1 3.32Å; Y91-W93 HydrophobicContact CD2-CZ2 4.49Å; Y91-W93 PolarHBondContact O-N 3.49Å; W93-R97 HydrophobicContact CB-CB 4.35Å; W93-R97 HydrophobicContact CB-CG 4.43Å; W93-R97 HydrophobicContact CD2-CG 4.17Å; W93-R97 HydrophobicContact CE3-CG 4.41Å; W93-R97 HydrophobicContact CG-CG 4.2Å; W93-V101 HydrophobicContact CE3-CG2 4.41Å; W93-V101 HydrophobicContact CH2-CB 4.32Å; W93-V101 HydrophobicContact CH2-CG1 3.94Å; W93-V101 HydrophobicContact CH2-CG2 4.04Å; W93-V101 HydrophobicContact CZ3-CB 3.83Å; W93-V101 HydrophobicContact CZ3-CG1 3.8Å; W93-V101 HydrophobicContact CZ3-CG2 3.8Å
94S93.1Very high93.9Very high74 Ų74103.4 Ų103.452%0.51747%0.467SS..  trans-66.3150.5166.571.20000110.7R96 R97 S98S94-R96 PolarHBondContact O-N 3.02Å; S94-R96 VanDerWaalsContact O-N 3.1Å; S94-R97 PolarHBondContact O-N 3.47Å; S94-R97 PolarHBondContact OG-N 3.32Å; S94-S98 PolarHBondContact O-N 3.07Å
95N91.9Very high93.9Very high139 Ų139106 Ų10674%0.74348%0.481SS*.Hα-helixtrans-52.9-34.5176.8-74.6-31.3000112.8K99N95-K99 WeakPolarHBondContact O-CG 3.3Å; N95-K99 PolarHBondContact O-N 3.27Å; N95-K99 VanDerWaalsContact O-N 3.13Å
96R94Very high93.9Very high217 Ų217103.6 Ų103.682%0.81947%0.47SS*.Hα-helixtrans-66.1-43.5176.8-169.4176.3-174.5176.91.5111.6S94 L100S94-R96 PolarHBondContact O-N 3.02Å; S94-R96 VanDerWaalsContact O-N 3.1Å; R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 PolarHBondContact O-N 3.34Å; R96-L100 VanDerWaalsContact O-N 3.08Å
97R93.3Very high93.9Very high142 Ų142102 Ų10254%0.53647%0.47SS..Hα-helixtrans-66.3-46.6178.4-176.1174.6179.8164.10.9111.3W93 S94 K99 L100 V101W93-R97 HydrophobicContact CB-CB 4.35Å; W93-R97 HydrophobicContact CB-CG 4.43Å; W93-R97 HydrophobicContact CD2-CG 4.17Å; W93-R97 HydrophobicContact CE3-CG 4.41Å; W93-R97 HydrophobicContact CG-CG 4.2Å; S94-R97 PolarHBondContact O-N 3.47Å; S94-R97 PolarHBondContact OG-N 3.32Å; R97-K99 PolarHBondContact O-N 3.34Å; R97-L100 PolarHBondContact O-N 3.15Å; R97-V101 HydrophobicContact CG-CG2 4.41Å; R97-V101 WeakPolarHBondContact O-CG2 3.41Å; R97-V101 PolarHBondContact O-N 3.47Å
98S91.7Very high93.8Very high8 Ų8106 Ų1066%0.05648%0.482CS..Hα-helixtrans-57.1-47176.7170.80000112.1S94 L100 V101 Y102S94-S98 PolarHBondContact O-N 3.07Å; S98-L100 PolarHBondContact O-N 3.36Å; S98-V101 PolarHBondContact O-N 2.98Å; S98-Y102 WeakPolarHBondContact O-CB 3.17Å; S98-Y102 PolarHBondContact O-N 3.35Å
99K94.3Very high93.6Very high144 Ų144106.7 Ų106.763%0.62649%0.485SS*.Hα-helixtrans-61.4-40.4176.1-73.7179.2-178.8-177.80113.1N95 R97 K103N95-K99 WeakPolarHBondContact O-CG 3.3Å; N95-K99 PolarHBondContact O-N 3.27Å; N95-K99 VanDerWaalsContact O-N 3.13Å; R97-K99 PolarHBondContact O-N 3.34Å; K99-K103 WeakPolarHBondContact O-CB 3.47Å; K99-K103 PolarHBondContact O-N 2.77Å
100L95.8Very high93.4Very high123 Ų12399.9 Ų99.964%0.64446%0.456SS*.Hα-helixtrans-65.5-46.7179.2-175.166000111.4R96 R97 S98 K103 A104R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 PolarHBondContact O-N 3.34Å; R96-L100 VanDerWaalsContact O-N 3.08Å; R97-L100 PolarHBondContact O-N 3.15Å; S98-L100 PolarHBondContact O-N 3.36Å; L100-K103 PolarHBondContact O-N 3.38Å; L100-A104 WeakPolarHBondContact O-CB 3.48Å; L100-A104 PolarHBondContact O-N 3.5Å
101V94.5Very high93.2Very high36 Ų3699.2 Ų99.222%0.21846%0.458CS..Hα-helixtrans-64.1-43.9177.7175.50000110.8V84 W93 R97 S98 K103 A104 N105V84-V101 HydrophobicContact CG2-CG1 4.15Å; W93-V101 HydrophobicContact CE3-CG2 4.41Å; W93-V101 HydrophobicContact CH2-CB 4.32Å; W93-V101 HydrophobicContact CH2-CG1 3.94Å; W93-V101 HydrophobicContact CH2-CG2 4.04Å; W93-V101 HydrophobicContact CZ3-CB 3.83Å; W93-V101 HydrophobicContact CZ3-CG1 3.8Å; W93-V101 HydrophobicContact CZ3-CG2 3.8Å; R97-V101 HydrophobicContact CG-CG2 4.41Å; R97-V101 WeakPolarHBondContact O-CG2 3.41Å; R97-V101 PolarHBondContact O-N 3.47Å; S98-V101 PolarHBondContact O-N 2.98Å; V101-K103 PolarHBondContact O-N 2.77Å; V101-A104 PolarHBondContact O-N 3.25Å; V101-N105 WeakPolarHBondContact CG1-ND2 3.44Å; V101-N105 WeakPolarHBondContact O-CB 3.28Å; V101-N105 PolarHBondContact O-N 3.12Å; V101-N105 PolarHBondContact O-ND2 3.38Å
102Y95.6Very high93Very high63 Ų6397.4 Ų97.425%0.24746%0.455CS..Hα-helixtrans-56.1-50.5173.3173.6-99.4000111.6I80 R81 S98 A104 N105 A106I80-Y102 HydrophobicContact CG2-CD2 3.99Å; I80-Y102 HydrophobicContact CG2-CE2 4.23Å; R81-Y102 HydrophobicContact CB-CD2 4.38Å; R81-Y102 HydrophobicContact CB-CE2 3.93Å; S98-Y102 WeakPolarHBondContact O-CB 3.17Å; S98-Y102 PolarHBondContact O-N 3.35Å; Y102-A104 VanDerWaalsContact C-N 3.35Å; Y102-A104 PolarHBondContact O-N 2.96Å; Y102-N105 PolarHBondContact O-N 3.35Å; Y102-A106 HydrophobicContact CE1-CB 4.46Å; Y102-A106 WeakPolarHBondContact O-CB 3.44Å; Y102-A106 PolarHBondContact O-N 3.31Å
103K95.4Very high92.7Very high152 Ų15287.5 Ų87.566%0.66142%0.419SS*.Hα-helixtrans-61.3-43-179.8-173.6179.8179.1-177.70111.6K99 L100 V101 S107K99-K103 WeakPolarHBondContact O-CB 3.47Å; K99-K103 PolarHBondContact O-N 2.77Å; L100-K103 PolarHBondContact O-N 3.38Å; V101-K103 PolarHBondContact O-N 2.77Å; K103-S107 VanDerWaalsContact O-CB 3.24Å; K103-S107 WeakPolarHBondContact O-CB 3.39Å; K103-S107 PolarHBondContact O-N 2.76Å; K103-S107 PolarHBondContact O-OG 3.34Å
104A95.4Very high92.3Very high53 Ų5387.8 Ų87.844%0.43842%0.42SS..Hα-helixtrans-61.7-52.8177.600000111.4L100 V101 Y102 S107 R108L100-A104 WeakPolarHBondContact O-CB 3.48Å; L100-A104 PolarHBondContact O-N 3.5Å; V101-A104 PolarHBondContact O-N 3.25Å; Y102-A104 VanDerWaalsContact C-N 3.35Å; Y102-A104 PolarHBondContact O-N 2.96Å; A104-S107 PolarHBondContact O-N 3.17Å; A104-S107 PolarHBondContact O-OG 3.27Å; A104-R108 PolarHBondContact O-N 3.38Å
105N94Very high91.9Very high56 Ų5690.1 Ų90.130%0.29943%0.426SS..Hα-helixtrans-63.2-44.6179.6-74.8-24.5000112.3I80 V101 Y102 S107 R108 V109I80-N105 HydrophobicContact CG2-CB 3.79Å; V101-N105 WeakPolarHBondContact CG1-ND2 3.44Å; V101-N105 WeakPolarHBondContact O-CB 3.28Å; V101-N105 PolarHBondContact O-N 3.12Å; V101-N105 PolarHBondContact O-ND2 3.38Å; Y102-N105 PolarHBondContact O-N 3.35Å; N105-S107 PolarHBondContact O-N 3.37Å; N105-R108 PolarHBondContact O-N 3.45Å; N105-V109 PolarHBondContact O-N 3.03Å
106A94.1Very high91.6Very high10 Ų1091.7 Ų91.78%0.08343%0.426CS..Hα-helixtrans-60.7-44.5176.500000111.4L77 Y102 R108 V109 L110L77-A106 HydrophobicContact CD2-CB 3.71Å; Y102-A106 HydrophobicContact CE1-CB 4.46Å; Y102-A106 WeakPolarHBondContact O-CB 3.44Å; Y102-A106 PolarHBondContact O-N 3.31Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.42Å; A106-V109 PolarHBondContact O-N 3.05Å; A106-L110 WeakPolarHBondContact O-CB 3.23Å; A106-L110 PolarHBondContact O-N 3.11Å
107S93.2Very high90.9Very high70 Ų7086.2 Ų86.249%0.4941%0.406SS..Hα-helixtrans-63.1-36.5-179.772.20000113.2K103 A104 N105 K111K103-S107 VanDerWaalsContact O-CB 3.24Å; K103-S107 WeakPolarHBondContact O-CB 3.39Å; K103-S107 PolarHBondContact O-N 2.76Å; K103-S107 PolarHBondContact O-OG 3.34Å; A104-S107 PolarHBondContact O-N 3.17Å; A104-S107 PolarHBondContact O-OG 3.27Å; N105-S107 PolarHBondContact O-N 3.37Å; S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 PolarHBondContact O-N 2.98Å
108R92.8Very high90.3Very high162 Ų16283.2 Ų83.261%0.61140%0.401SS*.Hα-helixtrans-64.8-53.3177.5-174.5-178.674.2174.52.3111.3A104 N105 A106 L110 K111 E112A104-R108 PolarHBondContact O-N 3.38Å; N105-R108 PolarHBondContact O-N 3.45Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.42Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 2.65Å; R108-K111 WeakPolarHBondContact O-CB 3.19Å; R108-K111 PolarHBondContact O-N 3.35Å; R108-E112 PolarHBondContact O-N 3.43Å
109V90.5Very high89.8Confident30 Ų3083 Ų8318%0.18240%0.399CS..Hα-helixtrans-68.1-36.7-177.5-177.70000111.1V76 I80 N105 A106 K111 E112 I113V76-V109 HydrophobicContact CG1-CB 4.38Å; V76-V109 HydrophobicContact CG1-CG1 3.39Å; I80-V109 HydrophobicContact CD1-CB 3.97Å; I80-V109 HydrophobicContact CD1-CG1 4.46Å; I80-V109 HydrophobicContact CD1-CG2 3.83Å; N105-V109 PolarHBondContact O-N 3.03Å; A106-V109 PolarHBondContact O-N 3.05Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 3.3Å; V109-E112 WeakPolarHBondContact O-CB 3.45Å; V109-E112 PolarHBondContact O-N 2.88Å; V109-I113 HydrophobicContact CG1-CD1 4.2Å; V109-I113 WeakPolarHBondContact O-CG1 3.39Å; V109-I113 PolarHBondContact O-N 2.72Å
110L89.9Confident89.1Confident38 Ų3879.8 Ų79.820%0.19939%0.386CS..Hα-helixtrans-66-35.7177.4-172.357000112I73 A106 R108 I113 Y114I73-L110 HydrophobicContact CD1-CD1 4.26Å; I73-L110 HydrophobicContact CG1-CD1 4.3Å; I73-L110 HydrophobicContact CG2-CD1 4.02Å; A106-L110 WeakPolarHBondContact O-CB 3.23Å; A106-L110 PolarHBondContact O-N 3.11Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 2.65Å; L110-I113 PolarHBondContact O-N 2.9Å; L110-Y114 HydrophobicContact CD1-CD1 4.13Å; L110-Y114 HydrophobicContact CD1-CE1 3.43Å; L110-Y114 VanDerWaalsContact CD1-CE1 3.43Å; L110-Y114 HydrophobicContact CD1-CE2 4.33Å; L110-Y114 HydrophobicContact CD2-CE1 4.41Å; L110-Y114 HydrophobicContact CD2-CE2 4.13Å; L110-Y114 WeakPolarHBondContact CD2-OH 3.49Å; L110-Y114 HydrophobicContact CG-CD1 4.4Å; L110-Y114 HydrophobicContact CG-CD2 4.33Å; L110-Y114 HydrophobicContact CG-CE1 3.7Å; L110-Y114 HydrophobicContact CG-CE2 3.64Å; L110-Y114 WeakPolarHBondContact CG-OH 3.46Å; L110-Y114 WeakPolarHBondContact O-CD1 3.49Å; L110-Y114 WeakPolarHBondContact O-CD2 3.35Å; L110-Y114 PolarHBondContact O-N 2.87Å
111K89.1Confident88.3Confident145 Ų14576.4 Ų76.463%0.6337%0.371SS*.Hα-helixtrans-61.7-41.5172-174.1-179178.4-176.60112S107 R108 V109 Y114 L115S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 PolarHBondContact O-N 2.98Å; R108-K111 WeakPolarHBondContact O-CB 3.19Å; R108-K111 PolarHBondContact O-N 3.35Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 3.3Å; K111-Y114 PolarHBondContact O-N 2.92Å; K111-L115 WeakPolarHBondContact O-CG 3.33Å; K111-L115 PolarHBondContact O-N 3.07Å; K111-L115 VanDerWaalsContact O-N 3.13Å
112E89.1Confident87.6Confident109 Ų10980.9 Ų80.951%0.50939%0.394SS..Hα-helixtrans-63.6-42.3175.4-67.9166.6-164.700111.5R108 V109 L115 K116R108-E112 PolarHBondContact O-N 3.43Å; V109-E112 WeakPolarHBondContact O-CB 3.45Å; V109-E112 PolarHBondContact O-N 2.88Å; E112-L115 PolarHBondContact O-N 2.88Å; E112-K116 WeakPolarHBondContact O-CB 3.2Å; E112-K116 PolarHBondContact O-N 3.44Å
113I85.9Confident86.9Confident22 Ų2282.8 Ų82.811%0.11340%0.4CS..Hα-helixtrans-63.2-43.2175.8-65.4170000110.8I73 V76 V109 L110 L115 K116 Y117 F119I73-I113 HydrophobicContact CD1-CG2 4.14Å; I73-I113 HydrophobicContact CG1-CD1 4.01Å; I73-I113 HydrophobicContact CG1-CG2 3.81Å; V76-I113 HydrophobicContact CG1-CD1 4.37Å; V109-I113 HydrophobicContact CG1-CD1 4.2Å; V109-I113 WeakPolarHBondContact O-CG1 3.39Å; V109-I113 PolarHBondContact O-N 2.72Å; L110-I113 PolarHBondContact O-N 2.9Å; I113-L115 VanDerWaalsContact C-N 3.28Å; I113-L115 PolarHBondContact O-N 2.97Å; I113-K116 PolarHBondContact O-N 2.85Å; I113-K116 VanDerWaalsContact O-N 3.14Å; I113-Y117 HydrophobicContact CG2-CD2 3.62Å; I113-Y117 HydrophobicContact CG2-CE2 3.92Å; I113-Y117 WeakPolarHBondContact O-CD2 3.44Å; I113-Y117 PolarHBondContact O-N 3.27Å; I113-F119 HydrophobicContact CG2-CE1 4.34Å
114Y85.3Confident86.1Confident51 Ų5177.9 Ų77.920%0.238%0.383CS..Hα-helixtrans-59.2-40177.5-65.4-23.8000112.6L110 K111 D118 F119 P121L110-Y114 HydrophobicContact CD1-CD1 4.13Å; L110-Y114 HydrophobicContact CD1-CE1 3.43Å; L110-Y114 VanDerWaalsContact CD1-CE1 3.43Å; L110-Y114 HydrophobicContact CD1-CE2 4.33Å; L110-Y114 HydrophobicContact CD2-CE1 4.41Å; L110-Y114 HydrophobicContact CD2-CE2 4.13Å; L110-Y114 WeakPolarHBondContact CD2-OH 3.49Å; L110-Y114 HydrophobicContact CG-CD1 4.4Å; L110-Y114 HydrophobicContact CG-CD2 4.33Å; L110-Y114 HydrophobicContact CG-CE1 3.7Å; L110-Y114 HydrophobicContact CG-CE2 3.64Å; L110-Y114 WeakPolarHBondContact CG-OH 3.46Å; L110-Y114 WeakPolarHBondContact O-CD1 3.49Å; L110-Y114 WeakPolarHBondContact O-CD2 3.35Å; L110-Y114 PolarHBondContact O-N 2.87Å; K111-Y114 PolarHBondContact O-N 2.92Å; Y114-D118 PolarHBondContact O-N 3.49Å; Y114-D118 VanDerWaalsContact O-N 3.16Å; Y114-F119 HydrophobicContact CD1-CD2 4.14Å; Y114-F119 HydrophobicContact CD1-CE1 4.09Å; Y114-F119 AromaticContact CD1-CE2 3.41Å; Y114-F119 HydrophobicContact CD1-CE2 3.41Å; Y114-F119 VanDerWaalsContact CD1-CE2 3.41Å; Y114-F119 AromaticContact CD1-CZ 3.37Å; Y114-F119 HydrophobicContact CD1-CZ 3.37Å; Y114-F119 HydrophobicContact CE1-CD2 4.32Å; Y114-F119 AromaticContact CE1-CE2 3.33Å; Y114-F119 HydrophobicContact CE1-CE2 3.33Å; Y114-F119 AromaticContact CE1-CZ 3.49Å; Y114-F119 HydrophobicContact CE1-CZ 3.49Å; Y114-F119 VanDerWaalsContact CE1-CZ 3.49Å; Y114-F119 PolarHBondContact O-N 2.89Å; Y114-P121 HydrophobicContact CE2-CG 4.14Å
115L85.1Confident85.5Confident123 Ų12379.5 Ų79.564%0.64438%0.383SS*.Hα-helixtrans-68.4-40.7174.6-67.5170.7000111.7K111 E112 I113K111-L115 WeakPolarHBondContact O-CG 3.33Å; K111-L115 PolarHBondContact O-N 3.07Å; K111-L115 VanDerWaalsContact O-N 3.13Å; E112-L115 PolarHBondContact O-N 2.88Å; I113-L115 VanDerWaalsContact C-N 3.28Å; I113-L115 PolarHBondContact O-N 2.97Å
116K84.9Confident85Confident172 Ų17278.2 Ų78.275%0.74838%0.378SS*.Hα-helixtrans-66.1-40.5-179.4-176.5174.6-179.9177.90113.4E112 I113E112-K116 WeakPolarHBondContact O-CB 3.2Å; E112-K116 PolarHBondContact O-N 3.44Å; I113-K116 PolarHBondContact O-N 2.85Å; I113-K116 VanDerWaalsContact O-N 3.14Å
117Y79.7Confident84.6Confident102 Ų10279.3 Ų79.340%0.438%0.383SS..THydrogen-bonded Turntrans-97.93.9-176.3-72.7-93.2000113.7A69 I113 F119A69-Y117 HydrophobicContact CB-CD1 3.97Å; A69-Y117 HydrophobicContact CB-CD2 4.18Å; A69-Y117 HydrophobicContact CB-CE1 4.16Å; A69-Y117 HydrophobicContact CB-CE2 4.35Å; A69-Y117 HydrophobicContact CB-CG 3.98Å; I113-Y117 HydrophobicContact CG2-CD2 3.62Å; I113-Y117 HydrophobicContact CG2-CE2 3.92Å; I113-Y117 WeakPolarHBondContact O-CD2 3.44Å; I113-Y117 PolarHBondContact O-N 3.27Å; Y117-F119 VanDerWaalsContact CB-CD1 3.46Å; Y117-F119 HydrophobicContact CG-CD1 4.47Å; Y117-F119 HydrophobicContact CG-CE1 4.35Å; Y117-F119 PolarHBondContact O-N 3.25Å; Y117-F119 VanDerWaalsContact O-N 3.16Å
118D80.7Confident84.2Confident78 Ų7878.1 Ų78.142%0.41738%0.377SS..THydrogen-bonded Turntrans45.246.4-177.7-178.739.2000112.6R65 Y114 R123R65-D118 IonicContact CZ-OD2 3.81Å; R65-D118 PolarHBondContact NH1-O 3.47Å; R65-D118 IonicContact NH1-OD2 2.65Å; R65-D118 PolarHBondContact NH1-OD2 3.35Å; Y114-D118 PolarHBondContact O-N 3.49Å; Y114-D118 VanDerWaalsContact O-N 3.16Å; D118-R123 IonicContact OD1-NH1 2.78Å; D118-R123 PolarHBondContact OD1-NH1 3.49Å
119F80.5Confident83.9Confident4 Ų475.5 Ų75.52%0.01838%0.375CS..  trans-124.8134.4170.180.7-93.3000109.9N62 R65 Y66 A69 I73 I113 Y114 Y117N62-F119 VanDerWaalsContact OD1-CA 3.3Å; N62-F119 WeakPolarHBondContact OD1-CA 3.3Å; N62-F119 WeakPolarHBondContact OD1-CB 3.41Å; R65-F119 HydrophobicContact CB-CB 3.95Å; Y66-F119 HydrophobicContact CD2-CD2 4.37Å; Y66-F119 AromaticContact CD2-CE2 3.6Å; Y66-F119 HydrophobicContact CD2-CE2 3.6Å; Y66-F119 AromaticContact CD2-CZ 3.96Å; Y66-F119 HydrophobicContact CD2-CZ 3.96Å; Y66-F119 HydrophobicContact CG-CE2 4.35Å; A69-F119 HydrophobicContact CB-CD1 4.3Å; A69-F119 HydrophobicContact CB-CE1 3.5Å; A69-F119 HydrophobicContact CB-CZ 4.11Å; I73-F119 HydrophobicContact CD1-CE1 4.41Å; I73-F119 HydrophobicContact CD1-CZ 3.76Å; I113-F119 HydrophobicContact CG2-CE1 4.34Å; Y114-F119 HydrophobicContact CD1-CD2 4.14Å; Y114-F119 HydrophobicContact CD1-CE1 4.09Å; Y114-F119 AromaticContact CD1-CE2 3.41Å; Y114-F119 HydrophobicContact CD1-CE2 3.41Å; Y114-F119 VanDerWaalsContact CD1-CE2 3.41Å; Y114-F119 AromaticContact CD1-CZ 3.37Å; Y114-F119 HydrophobicContact CD1-CZ 3.37Å; Y114-F119 HydrophobicContact CE1-CD2 4.32Å; Y114-F119 AromaticContact CE1-CE2 3.33Å; Y114-F119 HydrophobicContact CE1-CE2 3.33Å; Y114-F119 AromaticContact CE1-CZ 3.49Å; Y114-F119 HydrophobicContact CE1-CZ 3.49Å; Y114-F119 VanDerWaalsContact CE1-CZ 3.49Å; Y114-F119 PolarHBondContact O-N 2.89Å; Y117-F119 VanDerWaalsContact CB-CD1 3.46Å; Y117-F119 HydrophobicContact CG-CD1 4.47Å; Y117-F119 HydrophobicContact CG-CE1 4.35Å; Y117-F119 PolarHBondContact O-N 3.25Å; Y117-F119 VanDerWaalsContact O-N 3.16Å
120H80.7Confident83.7Confident77 Ų7775.6 Ų75.636%0.35638%0.379SS..  trans-116.7130.7178.6-76.6-61.9000109.6N62 L122 R123N62-H120 PolarHBondContact ND2-O 2.82Å; N62-H120 PolarHBondContact OD1-N 3.42Å; H120-L122 PolarHBondContact O-N 2.78Å; H120-L122 VanDerWaalsContact O-N 3.17Å; H120-R123 HydrophobicContact CB-CG 4.16Å; H120-R123 WeakPolarHBondContact O-CB 3.37Å; H120-R123 PolarHBondContact O-N 3.46Å
121P77.1Confident83.6Confident52 Ų5276.9 Ų76.934%0.33838%0.384SS..Hα-helixtrans-59.6-31.2-179.923.2-33.2000112.5Y114 R123 T124 I125Y114-P121 HydrophobicContact CE2-CG 4.14Å; P121-R123 VanDerWaalsContact C-N 3.28Å; P121-R123 PolarHBondContact O-N 2.85Å; P121-T124 PolarHBondContact O-N 3.31Å; P121-T124 VanDerWaalsContact O-N 3.1Å; P121-I125 WeakPolarHBondContact O-CG1 3.43Å; P121-I125 PolarHBondContact O-N 3.28Å; P121-I125 VanDerWaalsContact O-N 3.12Å
122L81.1Confident83.4Confident130 Ų13075 Ų7568%0.68138%0.38SS*.Hα-helixtrans-62.7-31.8175.5-65.8177.7000113H120 T124 I125 S126H120-L122 PolarHBondContact O-N 2.78Å; H120-L122 VanDerWaalsContact O-N 3.17Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 3.33Å; L122-I125 PolarHBondContact O-N 2.96Å; L122-S126 WeakPolarHBondContact O-CB 3.49Å; L122-S126 PolarHBondContact O-N 3.44Å
123R80Confident83.4Confident103 Ų10373.3 Ų73.339%0.38938%0.378SS..Hα-helixtrans-71.7-23.6175.4-69.4-179.3-179.9162.3-0.1112.6S59 N62 D118 H120 P121 S126S59-R123 WeakPolarHBondContact CA-O 2.86Å; N62-R123 HydrophobicContact CB-CB 4.2Å; D118-R123 IonicContact OD1-NH1 2.78Å; D118-R123 PolarHBondContact OD1-NH1 3.49Å; H120-R123 HydrophobicContact CB-CG 4.16Å; H120-R123 WeakPolarHBondContact O-CB 3.37Å; H120-R123 PolarHBondContact O-N 3.46Å; P121-R123 VanDerWaalsContact C-N 3.28Å; P121-R123 PolarHBondContact O-N 2.85Å; R123-S126 PolarHBondContact O-OG 3.07Å
124T78.5Confident83.4Confident48 Ų4875.4 Ų75.429%0.29439%0.389SS..Hα-helixtrans-78.1-42.8171.9-69.20000110.6S59 N62 S63 P121 L122 S126S59-T124 PolarHBondContact OG-O 2.92Å; N62-T124 PolarHBondContact ND2-N 3.13Å; N62-T124 PolarHBondContact ND2-OG1 3.35Å; S63-T124 WeakPolarHBondContact OG-CG2 3.45Å; P121-T124 PolarHBondContact O-N 3.31Å; P121-T124 VanDerWaalsContact O-N 3.1Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 3.33Å; T124-S126 VanDerWaalsContact C-N 3.3Å; T124-S126 PolarHBondContact O-N 2.94Å
125I84.3Confident83.4Confident88 Ų8881.3 Ų81.345%0.45141%0.411SS..Hα-helixtrans-78.3-16.1-177.3-57165.5000111.8P121 L122 L127 A128 L129P121-I125 WeakPolarHBondContact O-CG1 3.43Å; P121-I125 PolarHBondContact O-N 3.28Å; P121-I125 VanDerWaalsContact O-N 3.12Å; L122-I125 PolarHBondContact O-N 2.96Å; I125-L127 PolarHBondContact O-N 3.17Å; I125-L127 VanDerWaalsContact O-N 3.12Å; I125-A128 PolarHBondContact O-N 3.15Å; I125-L129 HydrophobicContact CB-CD1 4.5Å; I125-L129 HydrophobicContact CG2-CD1 3.84Å; I125-L129 HydrophobicContact CG2-CG 4.33Å; I125-L129 PolarHBondContact O-N 3Å
126S82.6Confident83.5Confident28 Ų2877.9 Ų77.920%0.19640%0.395CS..Hα-helixtrans-54-36.1-177.361.90000113.7L122 R123 T124 L129 A130L122-S126 WeakPolarHBondContact O-CB 3.49Å; L122-S126 PolarHBondContact O-N 3.44Å; R123-S126 PolarHBondContact O-OG 3.07Å; T124-S126 VanDerWaalsContact C-N 3.3Å; T124-S126 PolarHBondContact O-N 2.94Å; S126-L129 PolarHBondContact O-N 2.88Å; S126-A130 WeakPolarHBondContact O-CB 3.3Å; S126-A130 PolarHBondContact O-N 2.98Å
127L85.4Confident83.6Confident34 Ų3470.8 Ų70.818%0.17837%0.367CS..Hα-helixtrans-63.7-46.8176.8-178.264.1000111.7A56 I125 L129 A130 Q131A56-L127 HydrophobicContact CB-CD1 4.02Å; A56-L127 HydrophobicContact CB-CD2 4.04Å; I125-L127 PolarHBondContact O-N 3.17Å; I125-L127 VanDerWaalsContact O-N 3.12Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L127-A130 PolarHBondContact O-N 3.1Å; L127-Q131 HydrophobicContact CD1-CG 4.22Å; L127-Q131 HydrophobicContact CG-CG 4.47Å; L127-Q131 WeakPolarHBondContact O-CB 3.39Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.11Å
128A85.6Confident83.9Confident45 Ų4567.2 Ų67.237%0.37235%0.354SS..Hα-helixtrans-64.7-42.2178.200000111I125 A130 Q131 I132I125-A128 PolarHBondContact O-N 3.15Å; A128-A130 VanDerWaalsContact C-N 3.27Å; A128-A130 PolarHBondContact O-N 3.17Å; A128-Q131 PolarHBondContact O-N 3.05Å; A128-I132 WeakPolarHBondContact O-CD1 3.28Å; A128-I132 WeakPolarHBondContact O-CG1 3.31Å; A128-I132 PolarHBondContact O-N 3.17Å
129L87.1Confident84.1Confident107 Ų10764.4 Ų64.456%0.5634%0.341SS*.Hα-helixtrans-59.6-34.8174.9-93.9152.6000113I125 S126 L127 P133I125-L129 HydrophobicContact CB-CD1 4.5Å; I125-L129 HydrophobicContact CG2-CD1 3.84Å; I125-L129 HydrophobicContact CG2-CG 4.33Å; I125-L129 PolarHBondContact O-N 3Å; S126-L129 PolarHBondContact O-N 2.88Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L129-P133 WeakPolarHBondContact O-CD 3.44Å; L129-P133 WeakPolarHBondContact O-CG 3.25Å
130A85.8Confident84.3Confident32 Ų3264.5 Ų64.526%0.26434%0.342SS..Hα-helixtrans-80.2-36.2176.300000112.9L55 S126 L127 A128 P133 I134L55-A130 HydrophobicContact CD2-CB 3.53Å; S126-A130 WeakPolarHBondContact O-CB 3.3Å; S126-A130 PolarHBondContact O-N 2.98Å; L127-A130 PolarHBondContact O-N 3.1Å; A128-A130 VanDerWaalsContact C-N 3.27Å; A128-A130 PolarHBondContact O-N 3.17Å; A130-P133 WeakPolarHBondContact O-CD 3.24Å; A130-I134 WeakPolarHBondContact O-CD1 3.4Å; A130-I134 WeakPolarHBondContact O-CG1 3.43Å
131Q86.3Confident84.5Confident65 Ų6560.9 Ų60.930%0.30433%0.325SS..Hα-helixtrans-75-37-177.8-76.7-178.1-14.400113.2L127 A128 I134 W135L127-Q131 HydrophobicContact CD1-CG 4.22Å; L127-Q131 HydrophobicContact CG-CG 4.47Å; L127-Q131 WeakPolarHBondContact O-CB 3.39Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.11Å; A128-Q131 PolarHBondContact O-N 3.05Å; Q131-I134 PolarHBondContact O-N 3.41Å; Q131-W135 WeakPolarHBondContact O-CB 3.21Å; Q131-W135 PolarHBondContact O-N 3.18Å
132I86.9Confident84.8Confident106 Ų10659.9 Ų59.954%0.54432%0.318SS..Hα-helixtrans-56.6-50.5-178.3-70.7162.3000111.3A128 I134 W135 V136A128-I132 WeakPolarHBondContact O-CD1 3.28Å; A128-I132 WeakPolarHBondContact O-CG1 3.31Å; A128-I132 PolarHBondContact O-N 3.17Å; I132-I134 VanDerWaalsContact C-N 3.33Å; I132-I134 PolarHBondContact O-N 3.32Å; I132-W135 PolarHBondContact O-N 3.27Å; I132-V136 HydrophobicContact CG2-CG2 4.27Å; I132-V136 WeakPolarHBondContact O-CB 3.35Å; I132-V136 VanDerWaalsContact O-CG2 3.23Å; I132-V136 WeakPolarHBondContact O-CG2 3.22Å; I132-V136 PolarHBondContact O-N 3.13Å
133P87.1Confident84.9Confident72 Ų7260.5 Ų60.547%0.46831%0.311SS..Hα-helixtrans-59.2-40.2176.2-26.134.7000113.6L129 A130 V136 S137L129-P133 WeakPolarHBondContact O-CD 3.44Å; L129-P133 WeakPolarHBondContact O-CG 3.25Å; A130-P133 WeakPolarHBondContact O-CD 3.24Å; P133-V136 PolarHBondContact O-N 2.88Å; P133-S137 VanDerWaalsContact O-CB 3.29Å; P133-S137 WeakPolarHBondContact O-CB 3.41Å; P133-S137 PolarHBondContact O-N 3.33Å; P133-S137 PolarHBondContact O-OG 3.44Å
134I86.7Confident84.8Confident67 Ų6756.9 Ų56.934%0.34430%0.298SS..Hα-helixtrans-64.9-47.5179.2-62.1167.8000110.2A48 T52 A130 Q131 I132 V136 S137 L138A48-I134 HydrophobicContact CB-CG2 3.76Å; T52-I134 HydrophobicContact CG2-CD1 3.72Å; A130-I134 WeakPolarHBondContact O-CD1 3.4Å; A130-I134 WeakPolarHBondContact O-CG1 3.43Å; Q131-I134 PolarHBondContact O-N 3.41Å; I132-I134 VanDerWaalsContact C-N 3.33Å; I132-I134 PolarHBondContact O-N 3.32Å; I134-V136 PolarHBondContact O-N 2.9Å; I134-S137 PolarHBondContact O-N 2.92Å; I134-L138 WeakPolarHBondContact O-CB 3.28Å; I134-L138 PolarHBondContact O-N 3.4Å
135W86Confident84.9Confident174 Ų17454.7 Ų54.766%0.65928%0.284SS*.Hα-helixtrans-64.2-41.6179.5-173.780000111.8Q131 I132 S139Q131-W135 WeakPolarHBondContact O-CB 3.21Å; Q131-W135 PolarHBondContact O-N 3.18Å; I132-W135 PolarHBondContact O-N 3.27Å; W135-S139 WeakPolarHBondContact O-CB 3.33Å; W135-S139 PolarHBondContact O-N 2.69Å; W135-S139 PolarHBondContact O-OG 3.49Å
136V86.5Confident84.6Confident52 Ų5251.4 Ų51.432%0.31527%0.269SS..Hα-helixtrans-61.9-46.4174.1171.20000110.6I132 P133 I134 S139 V140I132-V136 HydrophobicContact CG2-CG2 4.27Å; I132-V136 WeakPolarHBondContact O-CB 3.35Å; I132-V136 VanDerWaalsContact O-CG2 3.23Å; I132-V136 WeakPolarHBondContact O-CG2 3.22Å; I132-V136 PolarHBondContact O-N 3.13Å; P133-V136 PolarHBondContact O-N 2.88Å; I134-V136 PolarHBondContact O-N 2.9Å; V136-S139 PolarHBondContact O-N 2.95Å; V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CB 3.45Å; V136-V140 VanDerWaalsContact O-CG2 3.28Å; V136-V140 WeakPolarHBondContact O-CG2 3.41Å; V136-V140 PolarHBondContact O-N 3.28Å
137S86.7Confident84Confident22 Ų2250.9 Ų50.915%0.15427%0.268CS..Hα-helixtrans-61.5-49.4-180-56.20000112F19 P133 I134 S139 V140 T141F19-S137 WeakPolarHBondContact CE1-OG 3.38Å; P133-S137 VanDerWaalsContact O-CB 3.29Å; P133-S137 WeakPolarHBondContact O-CB 3.41Å; P133-S137 PolarHBondContact O-N 3.33Å; P133-S137 PolarHBondContact O-OG 3.44Å; I134-S137 PolarHBondContact O-N 2.92Å; S137-S139 PolarHBondContact O-N 2.92Å; S137-V140 PolarHBondContact O-N 2.92Å; S137-T141 WeakPolarHBondContact O-CB 3.27Å; S137-T141 PolarHBondContact O-N 3.27Å; S137-T141 PolarHBondContact O-OG1 2.88Å
138L86.2Confident83.1Confident27 Ų2751.1 Ų51.114%0.14127%0.271CS..Hα-helixtrans-61.3-45.5177.2-177.462000111L26 I134 V140 T141 V142L26-L138 HydrophobicContact CD1-CD1 4.1Å; I134-L138 WeakPolarHBondContact O-CB 3.28Å; I134-L138 PolarHBondContact O-N 3.4Å; L138-V140 PolarHBondContact O-N 3.09Å; L138-T141 PolarHBondContact O-N 3.02Å; L138-V142 HydrophobicContact CD1-CG2 4.22Å; L138-V142 WeakPolarHBondContact O-CG2 3.32Å; L138-V142 PolarHBondContact O-N 2.94Å
139S86.1Confident81.9Confident20 Ų2049.4 Ų49.414%0.1426%0.256CS..Hα-helixtrans-65.9-37-179.5-57.70000113W135 V136 S137 R143W135-S139 WeakPolarHBondContact O-CB 3.33Å; W135-S139 PolarHBondContact O-N 2.69Å; W135-S139 PolarHBondContact O-OG 3.49Å; V136-S139 PolarHBondContact O-N 2.95Å; S137-S139 PolarHBondContact O-N 2.92Å; S139-R143 VanDerWaalsContact CB-NH1 3.31Å; S139-R143 WeakPolarHBondContact O-CB 3.37Å; S139-R143 VanDerWaalsContact O-CG 3.24Å; S139-R143 WeakPolarHBondContact O-CG 3.25Å; S139-R143 PolarHBondContact O-N 3.43Å; S139-R143 PolarHBondContact O-NH1 3.26Å
140V83.8Confident80.6Confident6 Ų649 Ų494%0.03625%0.253CS..Hα-helixtrans-70.1-42.1175.1171.30000110.3L11 F19 V136 S137 L138 R143 R144L11-V140 HydrophobicContact CD2-CG2 3.96Å; F19-V140 HydrophobicContact CD2-CB 4.42Å; F19-V140 HydrophobicContact CD2-CG1 3.71Å; F19-V140 HydrophobicContact CE2-CB 4.3Å; F19-V140 HydrophobicContact CE2-CG1 3.84Å; F19-V140 HydrophobicContact CE2-CG2 4.45Å; F19-V140 HydrophobicContact CG-CG1 4.26Å; V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CB 3.45Å; V136-V140 VanDerWaalsContact O-CG2 3.28Å; V136-V140 WeakPolarHBondContact O-CG2 3.41Å; V136-V140 PolarHBondContact O-N 3.28Å; S137-V140 PolarHBondContact O-N 2.92Å; L138-V140 PolarHBondContact O-N 3.09Å; V140-R143 PolarHBondContact O-N 3.23Å; V140-R144 HydrophobicContact CG1-CG 4.34Å; V140-R144 VanDerWaalsContact O-CG 3.28Å; V140-R144 WeakPolarHBondContact O-CG 3.38Å; V140-R144 PolarHBondContact O-N 3.38Å
141T84.7Confident79.3Confident0 Ų052.3 Ų52.30%026%0.262CS..Hα-helixtrans-61.7-49.7179-56.70000111.5L22 Q23 L26 S137 L138 R143 R144 L145L22-T141 HydrophobicContact CG-CG2 4.31Å; Q23-T141 HydrophobicContact CB-CG2 3.76Å; Q23-T141 HydrophobicContact CG-CG2 4.21Å; L26-T141 HydrophobicContact CD1-CG2 3.88Å; S137-T141 WeakPolarHBondContact O-CB 3.27Å; S137-T141 PolarHBondContact O-N 3.27Å; S137-T141 PolarHBondContact O-OG1 2.88Å; L138-T141 PolarHBondContact O-N 3.02Å; T141-R143 VanDerWaalsContact C-N 3.34Å; T141-R143 PolarHBondContact O-N 2.81Å; T141-R144 WeakPolarHBondContact O-CB 3.42Å; T141-R144 PolarHBondContact O-N 3.46Å; T141-R144 VanDerWaalsContact O-N 3.13Å; T141-L145 HydrophobicContact CG2-CD1 4.33Å; T141-L145 WeakPolarHBondContact O-CG 3.31Å; T141-L145 PolarHBondContact O-N 2.87Å
142V84.1Confident77.9Confident31 Ų3152.5 Ų52.519%0.18826%0.262CS..Hα-helixtrans-60.1-44.3176.2174.10000110.9I41 L138 R144 L145 C146I41-V142 HydrophobicContact CD1-CG2 4.39Å; I41-V142 HydrophobicContact CG1-CG2 4.4Å; L138-V142 HydrophobicContact CD1-CG2 4.22Å; L138-V142 WeakPolarHBondContact O-CG2 3.32Å; L138-V142 PolarHBondContact O-N 2.94Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 2.99Å; V142-L145 WeakPolarHBondContact O-CB 3.2Å; V142-L145 PolarHBondContact O-N 2.93Å; V142-C146 PolarHBondContact O-N 3.47Å; V142-C146 PolarHBondContact O-SG 2.97Å
143R82.1Confident76.5Confident144 Ų14451.5 Ų51.554%0.54326%0.258SS..Hα-helixtrans-63.4-33176.4-75.4-177.1-164.6103.21.8113.6S139 V140 T141 C146 G147S139-R143 VanDerWaalsContact CB-NH1 3.31Å; S139-R143 WeakPolarHBondContact O-CB 3.37Å; S139-R143 VanDerWaalsContact O-CG 3.24Å; S139-R143 WeakPolarHBondContact O-CG 3.25Å; S139-R143 PolarHBondContact O-N 3.43Å; S139-R143 PolarHBondContact O-NH1 3.26Å; V140-R143 PolarHBondContact O-N 3.23Å; T141-R143 VanDerWaalsContact C-N 3.34Å; T141-R143 PolarHBondContact O-N 2.81Å; R143-C146 PolarHBondContact O-N 2.99Å; R143-G147 PolarHBondContact O-N 2.83Å; R143-G147 VanDerWaalsContact O-N 3.09Å
144R79Confident75.1Confident26 Ų2656.1 Ų56.110%0.09827%0.273CS..Hα-helixtrans-67.1-48.2174.4-75.6169.3168-150.6-3.1110F14 D20 V140 T141 V142 C146 G147 T148F14-R144 PolarHBondContact O-NH2 3.32Å; D20-R144 IonicContact OD1-CZ 2.84Å; D20-R144 IonicContact OD1-NH1 3.16Å; D20-R144 PolarHBondContact OD1-NH1 3.35Å; V140-R144 HydrophobicContact CG1-CG 4.34Å; V140-R144 VanDerWaalsContact O-CG 3.28Å; V140-R144 WeakPolarHBondContact O-CG 3.38Å; V140-R144 PolarHBondContact O-N 3.38Å; T141-R144 WeakPolarHBondContact O-CB 3.42Å; T141-R144 PolarHBondContact O-N 3.46Å; T141-R144 VanDerWaalsContact O-N 3.13Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 2.99Å; R144-C146 PolarHBondContact O-N 2.72Å; R144-G147 PolarHBondContact O-N 3.13Å; R144-T148 VanDerWaalsContact O-CG2 3.28Å; R144-T148 WeakPolarHBondContact O-CG2 3.2Å; R144-T148 PolarHBondContact O-N 2.72Å; R144-T148 PolarHBondContact O-OG1 3.25Å
145L79Confident73.8Confident2 Ų260.1 Ų60.11%0.0129%0.288CS..Hα-helixtrans-55.5-39.1173.9-68169.7000111.9Q23 W37 T141 V142 G147 T148 E171 M175Q23-L145 HydrophobicContact CG-CD2 3.63Å; Q23-L145 HydrophobicContact CG-CG 4.08Å; W37-L145 HydrophobicContact CH2-CD1 3.98Å; W37-L145 HydrophobicContact CZ3-CD1 3.84Å; T141-L145 HydrophobicContact CG2-CD1 4.33Å; T141-L145 WeakPolarHBondContact O-CG 3.31Å; T141-L145 PolarHBondContact O-N 2.87Å; V142-L145 WeakPolarHBondContact O-CB 3.2Å; V142-L145 PolarHBondContact O-N 2.93Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.86Å; L145-T148 PolarHBondContact O-OG1 2.74Å; L145-E171 HydrophobicContact CD2-CB 4.38Å; L145-E171 WeakPolarHBondContact CD2-OE2 3.14Å; L145-M175 HydrophobicContact CB-CE 3.33Å; L145-M175 HydrophobicContact CB-SD 3.95Å; L145-M175 HydrophobicContact CD1-SD 4.47Å; L145-M175 WeakPolarHBondContact O-CE 3.11Å
146C78.9Confident72.3Confident20 Ų2055.7 Ų55.714%0.13528%0.277CS..Hα-helixtrans-76.2-17177.7-58.40000113.5V142 R143 R144 F172 M175V142-C146 PolarHBondContact O-N 3.47Å; V142-C146 PolarHBondContact O-SG 2.97Å; R143-C146 PolarHBondContact O-N 2.99Å; R144-C146 PolarHBondContact O-N 2.72Å; C146-F172 WeakPolarHBondContact O-CE2 3.29Å; C146-M175 HydrophobicContact CB-CE 4.18Å; C146-M175 VanDerWaalsContact N-CE 3.34Å; C146-M175 WeakPolarHBondContact SG-CE 3.4Å
147G69.9Low71Confident17 Ų1756.4 Ų56.418%0.17530%0.295CS..Hα-helixtrans-114.4-13.4-169.700000115.2R143 R144 L145 K151R143-G147 PolarHBondContact O-N 2.83Å; R143-G147 VanDerWaalsContact O-N 3.09Å; R144-G147 PolarHBondContact O-N 3.13Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.86Å; G147-K151 WeakPolarHBondContact O-CG 3.47Å; G147-K151 PolarHBondContact O-N 2.97Å
148T66.5Low69.5Low39 Ų3962 Ų6224%0.23932%0.319CS..Hα-helixtrans-60.3-54.3-176.133.70000113R144 L145 I150 K151 E152R144-T148 VanDerWaalsContact O-CG2 3.28Å; R144-T148 WeakPolarHBondContact O-CG2 3.2Å; R144-T148 PolarHBondContact O-N 2.72Å; R144-T148 PolarHBondContact O-OG1 3.25Å; L145-T148 PolarHBondContact O-OG1 2.74Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 3.23Å; T148-K151 PolarHBondContact O-N 3.5Å; T148-E152 PolarHBondContact O-N 3.04Å
149P60Low68Low8 Ų865.4 Ų65.45%0.05234%0.336CS..Hα-helixtrans-72.1-28.4-175.427.5-34.4000112.9K151 E152 L153 V169 F172P149-K151 VanDerWaalsContact C-N 3.28Å; P149-K151 PolarHBondContact O-N 3.39Å; P149-E152 PolarHBondContact O-N 2.88Å; P149-L153 VanDerWaalsContact O-CB 3.29Å; P149-L153 WeakPolarHBondContact O-CB 3.39Å; P149-L153 WeakPolarHBondContact O-CG 3.35Å; P149-L153 PolarHBondContact O-N 3.37Å; P149-V169 HydrophobicContact CB-CG2 4.03Å; P149-F172 HydrophobicContact CB-CD1 4.36Å; P149-F172 HydrophobicContact CB-CG 4.45Å; P149-F172 HydrophobicContact CG-CB 3.44Å; P149-F172 VanDerWaalsContact CG-CB 3.44Å; P149-F172 HydrophobicContact CG-CD1 3.38Å; P149-F172 HydrophobicContact CG-CD2 3.56Å; P149-F172 HydrophobicContact CG-CE1 3.94Å; P149-F172 HydrophobicContact CG-CE2 4.12Å; P149-F172 HydrophobicContact CG-CG 3.16Å; P149-F172 HydrophobicContact CG-CZ 4.29Å
150I60.2Low66.4Low100 Ų10069.7 Ų69.751%0.51336%0.357SS..Hα-helixtrans-63.4-38.1176.3-59.4173.3000110.3T148 H154 F172T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 3.23Å; I150-H154 WeakPolarHBondContact O-CB 3.43Å; I150-H154 PolarHBondContact O-N 3.24Å; I150-F172 HydrophobicContact CD1-CE2 4.47Å; I150-F172 HydrophobicContact CD1-CZ 4.39Å; I150-F172 HydrophobicContact CG1-CZ 4.42Å
151K58.7Low64.9Low100 Ų10073.1 Ų73.144%0.43538%0.379SS..Hα-helixtrans-71.7-40.1178.4-72.9175.6-179.7177.10112.2G147 T148 P149 H154 K155G147-K151 WeakPolarHBondContact O-CG 3.47Å; G147-K151 PolarHBondContact O-N 2.97Å; T148-K151 PolarHBondContact O-N 3.5Å; P149-K151 VanDerWaalsContact C-N 3.28Å; P149-K151 PolarHBondContact O-N 3.39Å; K151-H154 PolarHBondContact O-N 3.41Å; K151-K155 WeakPolarHBondContact O-CB 3.22Å; K151-K155 WeakPolarHBondContact O-CG 3.48Å; K151-K155 PolarHBondContact O-N 3.24Å
152E56.8Low63.3Low69 Ų6976.5 Ų76.532%0.32240%0.402SS..Hα-helixtrans-70.2-38.1178-62.3-49.6128.400111.6T148 P149 K155 N156T148-E152 PolarHBondContact O-N 3.04Å; P149-E152 PolarHBondContact O-N 2.88Å; E152-K155 PolarHBondContact O-N 3.32Å; E152-N156 PolarHBondContact O-N 3.37Å
153L57.1Low62Low85 Ų8582.2 Ų82.245%0.44543%0.432SS..Hα-helixtrans-59.4-45.2170-85.7160.2000112.1P149 G157 I159P149-L153 VanDerWaalsContact O-CB 3.29Å; P149-L153 WeakPolarHBondContact O-CB 3.39Å; P149-L153 WeakPolarHBondContact O-CG 3.35Å; P149-L153 PolarHBondContact O-N 3.37Å; L153-G157 PolarHBondContact O-N 2.97Å; L153-I159 HydrophobicContact CD2-CD1 4.05Å; L153-I159 HydrophobicContact CD2-CG1 3.62Å; L153-I159 HydrophobicContact CG-CG1 4.06Å
154H58.9Low60.9Low170 Ų17083.1 Ų83.179%0.78744%0.442SS*.Hα-helixtrans-68.5-41.7-178.9-163.6128.8000112.1I150 K151I150-H154 WeakPolarHBondContact O-CB 3.43Å; I150-H154 PolarHBondContact O-N 3.24Å; K151-H154 PolarHBondContact O-N 3.41Å
155K58.4Low60Low150 Ų15082.5 Ų82.565%0.65244%0.442SS*.Hα-helixtrans-67.7-39-176.4-80.2178.6178.8172.90112.9K151 E152K151-K155 WeakPolarHBondContact O-CB 3.22Å; K151-K155 WeakPolarHBondContact O-CG 3.48Å; K151-K155 PolarHBondContact O-N 3.24Å; E152-K155 PolarHBondContact O-N 3.32Å
156N53.9Low59.3Low81 Ų8184.5 Ų84.543%0.43346%0.459SS..Hα-helixtrans-113-10.1-166.2-64.2-13.1000113.8E152 Q158E152-N156 PolarHBondContact O-N 3.37Å; N156-Q158 WeakPolarHBondContact CB-O 3.12Å; N156-Q158 PolarHBondContact O-N 2.94Å
157G60.2Low58.9Low68 Ų6888.7 Ų88.770%0.70148%0.48SS*.SBendtrans59.81.1-17600000114.4L153L153-G157 PolarHBondContact O-N 2.97Å
158Q55.3Low58.9Low138 Ų13888.4 Ų88.465%0.64548%0.476SS*.SBendtrans-149.9131.6-176.5-67.7-173-26.100106.5N156 I160N156-Q158 WeakPolarHBondContact CB-O 3.12Å; N156-Q158 PolarHBondContact O-N 2.94Å; Q158-I160 VanDerWaalsContact C-N 3.34Å; Q158-I160 PolarHBondContact O-N 2.68Å
159I55.2Low59.1Low100 Ų10088.8 Ų88.851%0.51348%0.478SS..  trans-71.495.9170.1-57.3168.9000105.8L153 P161 V169L153-I159 HydrophobicContact CD2-CD1 4.05Å; L153-I159 HydrophobicContact CD2-CG1 3.62Å; L153-I159 HydrophobicContact CG-CG1 4.06Å; I159-P161 VanDerWaalsContact O-CD 3.25Å; I159-P161 WeakPolarHBondContact O-CD 3.48Å; I159-V169 HydrophobicContact CG2-CG2 4.48Å
160I51Low59.8Low110 Ų11092.2 Ų92.256%0.56450%0.502SS*.  trans-92.1103.4163.7-56.3175.1000104.8Q158 S162Q158-I160 VanDerWaalsContact C-N 3.34Å; Q158-I160 PolarHBondContact O-N 2.68Å; I160-S162 PolarHBondContact O-N 2.92Å
161P52.3Low60.8Low77 Ų7788.8 Ų88.850%0.548%0.484SS..  trans-69.4100.3176.525.6-26.9000107.9I159 S165 A166I159-P161 VanDerWaalsContact O-CD 3.25Å; I159-P161 WeakPolarHBondContact O-CD 3.48Å; P161-S165 VanDerWaalsContact CA-OG 3.22Å; P161-S165 WeakPolarHBondContact CA-OG 3.4Å; P161-A166 HydrophobicContact CB-CB 4.07Å
162S52.6Low61.8Low71 Ų7185.3 Ų85.350%0.49747%0.469SS..  trans-61.1143.9146.650.20000106.9I160 E164 S165 A166I160-S162 PolarHBondContact O-N 2.92Å; S162-E164 PolarHBondContact O-N 3.48Å; S162-S165 PolarHBondContact N-OG 2.96Å; S162-S165 WeakPolarHBondContact O-CA 3.4Å; S162-S165 WeakPolarHBondContact O-CB 3.46Å; S162-S165 PolarHBondContact O-N 3.09Å; S162-S165 PolarHBondContact O-OG 2.97Å; S162-S165 PolarHBondContact OG-OG 3.28Å; S162-A166 PolarHBondContact O-N 3.16Å
163D55.1Low62.8Low151 Ų15184 Ų8481%0.80747%0.47SS*.Hα-helixtrans-47.5-38.9-175-68-26.4000112.4S165 A166D163-S165 VanDerWaalsContact C-N 3.3Å; D163-S165 PolarHBondContact O-N 3.49Å; D163-A166 PolarHBondContact O-N 3.32Å
164E60.5Low64Low164 Ų16480.6 Ų80.677%0.76645%0.454SS*.Hα-helixtrans-66.1-26.3177.2-166.6171.714800114.6S162S162-E164 PolarHBondContact O-N 3.48Å
165S59.6Low65.2Low12 Ų1272.5 Ų72.58%0.08442%0.417CS..Hα-helixtrans-88.9-21.1178.467.50000113.3P161 S162 D163 A168 V169P161-S165 VanDerWaalsContact CA-OG 3.22Å; P161-S165 WeakPolarHBondContact CA-OG 3.4Å; S162-S165 PolarHBondContact N-OG 2.96Å; S162-S165 WeakPolarHBondContact O-CA 3.4Å; S162-S165 WeakPolarHBondContact O-CB 3.46Å; S162-S165 PolarHBondContact O-N 3.09Å; S162-S165 PolarHBondContact O-OG 2.97Å; S162-S165 PolarHBondContact OG-OG 3.28Å; D163-S165 VanDerWaalsContact C-N 3.3Å; D163-S165 PolarHBondContact O-N 3.49Å; S165-A168 PolarHBondContact O-N 3.22Å; S165-V169 WeakPolarHBondContact O-CB 3.38Å; S165-V169 WeakPolarHBondContact O-CG2 3.2Å; S165-V169 PolarHBondContact O-N 2.72Å
166A64.1Low66.2Low44 Ų4469 Ų6936%0.36440%0.403SS..Hα-helixtrans-64.2-46.3174.600000110.6P161 S162 D163 V169 S170P161-A166 HydrophobicContact CB-CB 4.07Å; S162-A166 PolarHBondContact O-N 3.16Å; D163-A166 PolarHBondContact O-N 3.32Å; A166-V169 PolarHBondContact O-N 2.9Å; A166-S170 PolarHBondContact O-N 3.38Å
167D70Confident67.4Low108 Ų10870.1 Ų70.158%0.57841%0.414SS*.Hα-helixtrans-60.5-47.5174-66-19.8000110.2V169 S170 E171D167-V169 VanDerWaalsContact C-N 3.3Å; D167-V169 PolarHBondContact O-N 3.36Å; D167-S170 WeakPolarHBondContact O-CB 3.46Å; D167-S170 PolarHBondContact O-N 3.18Å; D167-S170 VanDerWaalsContact O-N 3.09Å; D167-E171 WeakPolarHBondContact O-CB 3.22Å; D167-E171 WeakPolarHBondContact O-CG 3.45Å; D167-E171 PolarHBondContact O-N 2.87Å
168A69.3Low68.5Low11 Ų1169.4 Ų69.49%0.09139%0.392CS..Hα-helixtrans-60.9-35.2179.100000113.6S165 F172S165-A168 PolarHBondContact O-N 3.22Å; A168-F172 WeakPolarHBondContact O-CB 2.98Å; A168-F172 PolarHBondContact O-N 3.34Å; A168-F172 VanDerWaalsContact O-N 3.07Å
169V70.9Confident69.7Low48 Ų4863.6 Ų63.629%0.29137%0.369SS..Hα-helixtrans-69.6-42.2174.91710000110.6P149 I159 S165 A166 D167 F172 A173P149-V169 HydrophobicContact CB-CG2 4.03Å; I159-V169 HydrophobicContact CG2-CG2 4.48Å; S165-V169 WeakPolarHBondContact O-CB 3.38Å; S165-V169 WeakPolarHBondContact O-CG2 3.2Å; S165-V169 PolarHBondContact O-N 2.72Å; A166-V169 PolarHBondContact O-N 2.9Å; D167-V169 VanDerWaalsContact C-N 3.3Å; D167-V169 PolarHBondContact O-N 3.36Å; V169-F172 PolarHBondContact O-N 2.91Å; V169-A173 WeakPolarHBondContact O-CB 3.05Å; V169-A173 PolarHBondContact O-N 3.23Å
170S76.6Confident70.8Confident80 Ų8060.6 Ų60.656%0.55936%0.356SS*.Hα-helixtrans-64.5-43.6176.6-172.90000111.9A166 D167 A173 A174A166-S170 PolarHBondContact O-N 3.38Å; D167-S170 WeakPolarHBondContact O-CB 3.46Å; D167-S170 PolarHBondContact O-N 3.18Å; D167-S170 VanDerWaalsContact O-N 3.09Å; S170-A173 PolarHBondContact O-N 2.87Å; S170-A174 WeakPolarHBondContact O-CB 3.35Å; S170-A174 PolarHBondContact O-N 2.52Å
171E80.5Confident72Confident28 Ų2862.5 Ų62.513%0.13137%0.367CS..Hα-helixtrans-61.7-45.1177.1-68.6173.417500111.3S27 W37 L145 D167 A174 M175S27-E171 WeakPolarHBondContact CB-OE1 3.45Å; S27-E171 PolarHBondContact OG-OE1 3Å; W37-E171 HydrophobicContact CZ2-CB 3.84Å; W37-E171 HydrophobicContact CZ2-CG 3.87Å; W37-E171 PolarHBondContact NE1-O 3.29Å; L145-E171 HydrophobicContact CD2-CB 4.38Å; L145-E171 WeakPolarHBondContact CD2-OE2 3.14Å; D167-E171 WeakPolarHBondContact O-CB 3.22Å; D167-E171 WeakPolarHBondContact O-CG 3.45Å; D167-E171 PolarHBondContact O-N 2.87Å; E171-A174 PolarHBondContact O-N 3.35Å; E171-M175 WeakPolarHBondContact O-CG 3.3Å; E171-M175 PolarHBondContact O-N 2.85Å
172F79.7Confident73Confident26 Ų2663.1 Ų63.111%0.11436%0.359CS..Hα-helixtrans-63.7-43.6175.6176.5-99000112.4C146 P149 I150 A168 V169 A174 M175 M176 T187C146-F172 WeakPolarHBondContact O-CE2 3.29Å; P149-F172 HydrophobicContact CB-CD1 4.36Å; P149-F172 HydrophobicContact CB-CG 4.45Å; P149-F172 HydrophobicContact CG-CB 3.44Å; P149-F172 VanDerWaalsContact CG-CB 3.44Å; P149-F172 HydrophobicContact CG-CD1 3.38Å; P149-F172 HydrophobicContact CG-CD2 3.56Å; P149-F172 HydrophobicContact CG-CE1 3.94Å; P149-F172 HydrophobicContact CG-CE2 4.12Å; P149-F172 HydrophobicContact CG-CG 3.16Å; P149-F172 HydrophobicContact CG-CZ 4.29Å; I150-F172 HydrophobicContact CD1-CE2 4.47Å; I150-F172 HydrophobicContact CD1-CZ 4.39Å; I150-F172 HydrophobicContact CG1-CZ 4.42Å; A168-F172 WeakPolarHBondContact O-CB 2.98Å; A168-F172 PolarHBondContact O-N 3.34Å; A168-F172 VanDerWaalsContact O-N 3.07Å; V169-F172 PolarHBondContact O-N 2.91Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 2.86Å; F172-M175 PolarHBondContact O-N 3.38Å; F172-M175 VanDerWaalsContact O-N 3.15Å; F172-M176 HydrophobicContact CD1-CE 3.78Å; F172-M176 HydrophobicContact CD1-CG 4.39Å; F172-M176 HydrophobicContact CD1-SD 4.16Å; F172-M176 HydrophobicContact CE1-CE 3.59Å; F172-M176 HydrophobicContact CE1-CG 4.01Å; F172-M176 HydrophobicContact CE1-SD 3.45Å; F172-M176 WeakPolarHBondContact CE1-SD 3.29Å; F172-M176 HydrophobicContact CZ-CG 4.16Å; F172-M176 HydrophobicContact CZ-SD 3.89Å; F172-M176 PolarHBondContact O-N 3.18Å; F172-T187 HydrophobicContact CD2-CG2 3.85Å; F172-T187 HydrophobicContact CE2-CG2 3.56Å; F172-T187 HydrophobicContact CZ-CG2 4.2Å
173A78.3Confident74.1Confident42 Ų4262.6 Ų62.635%0.34735%0.348SS..Hα-helixtrans-59-43.8176.300000111.5V169 S170 M176 T177V169-A173 WeakPolarHBondContact O-CB 3.05Å; V169-A173 PolarHBondContact O-N 3.23Å; S170-A173 PolarHBondContact O-N 2.87Å; A173-M176 HydrophobicContact CB-CE 4.36Å; A173-M176 PolarHBondContact O-N 3.23Å; A173-T177 PolarHBondContact O-OG1 2.94Å
174A82.7Confident75Confident14 Ų1459.5 Ų59.512%0.11634%0.336CS..Hα-helixtrans-62.7-42174.300000111.7W37 S170 E171 F172 M176 T177 E178W37-A174 VanDerWaalsContact NE1-CB 3.33Å; S170-A174 WeakPolarHBondContact O-CB 3.35Å; S170-A174 PolarHBondContact O-N 2.52Å; E171-A174 PolarHBondContact O-N 3.35Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 2.86Å; A174-M176 VanDerWaalsContact C-N 3.27Å; A174-M176 PolarHBondContact O-N 3.39Å; A174-T177 PolarHBondContact O-N 3.5Å; A174-T177 VanDerWaalsContact O-N 3.11Å; A174-T177 PolarHBondContact O-OG1 3.02Å; A174-E178 HydrophobicContact CB-CG 4.5Å; A174-E178 WeakPolarHBondContact O-CB 3.22Å; A174-E178 WeakPolarHBondContact O-CG 3.3Å; A174-E178 PolarHBondContact O-N 3.48Å
175M82.2Confident76Confident0 Ų054 Ų540%031%0.312CS..Hα-helixtrans-63.8-27.6176.2-74-154.9-53.100114.2W37 L145 C146 E171 F172 T177 L186 T187W37-M175 HydrophobicContact CB-CG 4.02Å; W37-M175 HydrophobicContact CD2-CG 3.64Å; W37-M175 HydrophobicContact CD2-SD 4.26Å; W37-M175 HydrophobicContact CE3-CG 4.34Å; W37-M175 HydrophobicContact CE3-SD 4.39Å; W37-M175 HydrophobicContact CG-CB 4.48Å; W37-M175 HydrophobicContact CG-CG 3.45Å; W37-M175 VanDerWaalsContact CG-CG 3.45Å; W37-M175 HydrophobicContact CG-SD 4.49Å; L145-M175 HydrophobicContact CB-CE 3.33Å; L145-M175 HydrophobicContact CB-SD 3.95Å; L145-M175 HydrophobicContact CD1-SD 4.47Å; L145-M175 WeakPolarHBondContact O-CE 3.11Å; C146-M175 HydrophobicContact CB-CE 4.18Å; C146-M175 VanDerWaalsContact N-CE 3.34Å; C146-M175 WeakPolarHBondContact SG-CE 3.4Å; E171-M175 WeakPolarHBondContact O-CG 3.3Å; E171-M175 PolarHBondContact O-N 2.85Å; F172-M175 PolarHBondContact O-N 3.38Å; F172-M175 VanDerWaalsContact O-N 3.15Å; M175-T177 VanDerWaalsContact C-N 3.29Å; M175-L186 HydrophobicContact CB-CB 4.44Å; M175-L186 WeakPolarHBondContact O-CB 3.37Å; M175-L186 PolarHBondContact O-N 2.91Å; M175-T187 HydrophobicContact CB-CG2 3.86Å; M175-T187 HydrophobicContact CE-CG2 4.37Å
176M80.3Confident77Confident75 Ų7555.2 Ų55.237%0.36932%0.317SS..Hα-helixtrans-70.4-25.7174.5-70.4-170.4-68.100113.1F172 A173 A174 D185 T187F172-M176 HydrophobicContact CD1-CE 3.78Å; F172-M176 HydrophobicContact CD1-CG 4.39Å; F172-M176 HydrophobicContact CD1-SD 4.16Å; F172-M176 HydrophobicContact CE1-CE 3.59Å; F172-M176 HydrophobicContact CE1-CG 4.01Å; F172-M176 HydrophobicContact CE1-SD 3.45Å; F172-M176 WeakPolarHBondContact CE1-SD 3.29Å; F172-M176 HydrophobicContact CZ-CG 4.16Å; F172-M176 HydrophobicContact CZ-SD 3.89Å; F172-M176 PolarHBondContact O-N 3.18Å; A173-M176 HydrophobicContact CB-CE 4.36Å; A173-M176 PolarHBondContact O-N 3.23Å; A174-M176 VanDerWaalsContact C-N 3.27Å; A174-M176 PolarHBondContact O-N 3.39Å; M176-D185 WeakPolarHBondContact CA-OD1 3.45Å; M176-D185 WeakPolarHBondContact O-CA 3.05Å; M176-T187 HydrophobicContact CG-CG2 3.75Å
177T79.3Confident77.6Confident106 Ų10654.7 Ų54.765%0.6531%0.31SS*.Hα-helixtrans-109.1-24.1-174.254.60000114A173 A174 M175 G179A173-T177 PolarHBondContact O-OG1 2.94Å; A174-T177 PolarHBondContact O-N 3.5Å; A174-T177 VanDerWaalsContact O-N 3.11Å; A174-T177 PolarHBondContact O-OG1 3.02Å; M175-T177 VanDerWaalsContact C-N 3.29Å; T177-G179 PolarHBondContact O-N 2.9Å
178E83.5Confident77.8Confident53 Ų5352.8 Ų52.825%0.24830%0.302CS..  trans-100.836.3-169.7-63.3179.1-178.800113.5H30 P36 W37 W38 A174 L186H30-E178 IonicContact CD2-OE2 3.43Å; H30-E178 IonicContact CE1-OE1 2.77Å; H30-E178 IonicContact CE1-OE2 3.83Å; H30-E178 IonicContact NE2-OE1 3.29Å; H30-E178 IonicContact NE2-OE2 2.79Å; H30-E178 PolarHBondContact NE2-OE2 2.87Å; P36-E178 VanDerWaalsContact CA-OE2 3.28Å; P36-E178 WeakPolarHBondContact CA-OE2 3.36Å; P36-E178 HydrophobicContact CB-CB 3.87Å; P36-E178 HydrophobicContact CB-CG 4.3Å; W37-E178 HydrophobicContact CB-CB 4.31Å; W37-E178 PolarHBondContact N-OE2 3.37Å; W38-E178 VanDerWaalsContact CD1-O 3.26Å; W38-E178 PolarHBondContact N-O 3.4Å; A174-E178 HydrophobicContact CB-CG 4.5Å; A174-E178 WeakPolarHBondContact O-CB 3.22Å; A174-E178 WeakPolarHBondContact O-CG 3.3Å; A174-E178 PolarHBondContact O-N 3.48Å; E178-L186 VanDerWaalsContact O-CD1 3.29Å; E178-L186 WeakPolarHBondContact O-CD1 3.36Å
179G79.6Confident77.7Confident15 Ų1556.4 Ų56.416%0.15533%0.327CS..  trans-73.2-176.1166.500000113.3W38 T177 F183 P184W38-G179 VanDerWaalsContact CD1-O 3.31Å; T177-G179 PolarHBondContact O-N 2.9Å; G179-F183 CarbonylContact C-O 3.59Å; G179-F183 VanDerWaalsContact CA-O 3.29Å; G179-F183 WeakPolarHBondContact CA-O 3.29Å; G179-P184 VanDerWaalsContact CA-O 3.26Å; G179-P184 WeakPolarHBondContact CA-O 3.45Å; G179-P184 PolarHBondContact N-O 2.87Å
180C78.9Confident77.5Confident37 Ų3758.6 Ų58.625%0.2534%0.337CS..BIsolated β-bridgetrans-139.2155.9173.670.70000112.7W38 W182 F183W38-C180 HydrophobicContact CB-CB 4.23Å; W38-C180 HydrophobicContact CD2-CB 3.77Å; W38-C180 HydrophobicContact CE3-CB 4.43Å; W38-C180 HydrophobicContact CG-CB 3.64Å; C180-W182 PolarHBondContact O-N 3.23Å; C180-F183 PolarHBondContact N-O 2.73Å; C180-F183 WeakPolarHBondContact O-CD1 3.29Å; C180-F183 VanDerWaalsContact O-CE1 3.23Å; C180-F183 WeakPolarHBondContact O-CE1 3.25Å; C180-F183 WeakPolarHBondContact O-CG 3.43Å; C180-F183 PolarHBondContact O-N 3.48Å; C180-F183 WeakPolarHBondContact SG-CZ 3.19Å
181L75.1Confident76.8Confident151 Ų15162.1 Ų62.179%0.79134%0.344SS*.THydrogen-bonded Turntrans57.7-120.8178.9-126.877.5000112.8
182W73.9Confident75.8Confident90 Ų9067.8 Ų67.834%0.34137%0.368SS..THydrogen-bonded Turntrans-87.6-5-176.369.189.8000113.7C180 P184 D190 P196C180-W182 PolarHBondContact O-N 3.23Å; W182-P184 WeakPolarHBondContact O-CD 3.28Å; W182-D190 PolarHBondContact NE1-OD2 2.81Å; W182-P196 HydrophobicContact CE3-CB 3.96Å; W182-P196 HydrophobicContact CE3-CG 4.29Å; W182-P196 HydrophobicContact CH2-CB 3.72Å; W182-P196 HydrophobicContact CH2-CG 3.2Å; W182-P196 HydrophobicContact CZ2-CB 4.21Å; W182-P196 HydrophobicContact CZ2-CG 3.49Å; W182-P196 VanDerWaalsContact CZ2-CG 3.49Å; W182-P196 HydrophobicContact CZ3-CB 3.47Å; W182-P196 VanDerWaalsContact CZ3-CB 3.47Å; W182-P196 HydrophobicContact CZ3-CG 3.57Å
183F75.4Confident74.7Confident60 Ų6072.2 Ų72.226%0.26340%0.403SS..BIsolated β-bridgetrans-116.885.117858.3-83.3000109.7G179 C180 D185 L186G179-F183 CarbonylContact C-O 3.59Å; G179-F183 VanDerWaalsContact CA-O 3.29Å; G179-F183 WeakPolarHBondContact CA-O 3.29Å; C180-F183 PolarHBondContact N-O 2.73Å; C180-F183 WeakPolarHBondContact O-CD1 3.29Å; C180-F183 VanDerWaalsContact O-CE1 3.23Å; C180-F183 WeakPolarHBondContact O-CE1 3.25Å; C180-F183 WeakPolarHBondContact O-CG 3.43Å; C180-F183 PolarHBondContact O-N 3.48Å; C180-F183 WeakPolarHBondContact SG-CZ 3.19Å; F183-D185 VanDerWaalsContact C-N 3.3Å; F183-L186 HydrophobicContact CE2-CD2 4.31Å
184P75.5Confident73.6Confident86 Ų8677.4 Ų77.456%0.55842%0.42SS*.  trans-71.3-27.2179.528.2-34.2000112.7G179 W182G179-P184 VanDerWaalsContact CA-O 3.26Å; G179-P184 WeakPolarHBondContact CA-O 3.45Å; G179-P184 PolarHBondContact N-O 2.87Å; W182-P184 WeakPolarHBondContact O-CD 3.28Å
185D80.6Confident72.5Confident48 Ų4881.2 Ų81.226%0.25744%0.444SS..  trans-108.2113.6-178.7-173.4-12.5000110M176 F183 T187 V188M176-D185 WeakPolarHBondContact CA-OD1 3.45Å; M176-D185 WeakPolarHBondContact O-CA 3.05Å; F183-D185 VanDerWaalsContact C-N 3.3Å; D185-T187 VanDerWaalsContact C-N 3.28Å; D185-T187 WeakPolarHBondContact OD1-CA 3.43Å; D185-T187 VanDerWaalsContact OD1-CB 3.28Å; D185-T187 WeakPolarHBondContact OD1-CB 3.41Å; D185-T187 PolarHBondContact OD1-N 3.48Å; D185-T187 PolarHBondContact OD1-OG1 3.47Å; D185-T187 PolarHBondContact OD2-OG1 2.62Å; D185-V188 VanDerWaalsContact OD2-CG2 3.26Å; D185-V188 WeakPolarHBondContact OD2-CG2 3.49Å
186L79.8Confident71.4Confident37 Ų3782.8 Ų82.819%0.19445%0.453CS..SBendtrans-79.4-10.2178.1-72.6137.2000113W37 I41 M175 E178 F183W37-L186 HydrophobicContact CB-CD1 3.82Å; I41-L186 HydrophobicContact CD1-CD2 3.89Å; M175-L186 HydrophobicContact CB-CB 4.44Å; M175-L186 WeakPolarHBondContact O-CB 3.37Å; M175-L186 PolarHBondContact O-N 2.91Å; E178-L186 VanDerWaalsContact O-CD1 3.29Å; E178-L186 WeakPolarHBondContact O-CD1 3.36Å; F183-L186 HydrophobicContact CE2-CD2 4.31Å
187T76.7Confident70.4Confident34 Ų3488.2 Ų88.221%0.20948%0.478CS..SBendtrans-87.6-23-17574.80000112.7F172 M175 M176 D185F172-T187 HydrophobicContact CD2-CG2 3.85Å; F172-T187 HydrophobicContact CE2-CG2 3.56Å; F172-T187 HydrophobicContact CZ-CG2 4.2Å; M175-T187 HydrophobicContact CB-CG2 3.86Å; M175-T187 HydrophobicContact CE-CG2 4.37Å; M176-T187 HydrophobicContact CG-CG2 3.75Å; D185-T187 VanDerWaalsContact C-N 3.28Å; D185-T187 WeakPolarHBondContact OD1-CA 3.43Å; D185-T187 VanDerWaalsContact OD1-CB 3.28Å; D185-T187 WeakPolarHBondContact OD1-CB 3.41Å; D185-T187 PolarHBondContact OD1-N 3.48Å; D185-T187 PolarHBondContact OD1-OG1 3.47Å; D185-T187 PolarHBondContact OD2-OG1 2.62Å
188V74.3Confident69.2Low67 Ų6786 Ų8641%0.40647%0.47SS..SBendtrans-95.5138-179177.20000109.9D185 D190 H191D185-V188 VanDerWaalsContact OD2-CG2 3.26Å; D185-V188 WeakPolarHBondContact OD2-CG2 3.49Å; V188-D190 PolarHBondContact O-N 2.91Å; V188-H191 WeakPolarHBondContact CG1-CD2 3.39Å
189S69.2Low68Low88 Ų8885.8 Ų85.862%0.61548%0.477SS*.  trans-63.4129.9170.254.50000109.4H191S189-H191 PolarHBondContact O-CD2 3.06Å; S189-H191 VanDerWaalsContact O-CD2 3.27Å; S189-H191 PolarHBondContact O-N 3.06Å
190D66.7Low66.9Low94 Ų9486.9 Ų86.950%0.50349%0.489SS..  trans-47.4110-177.2-165.4-4.1000111.4W182 V188 F192W182-D190 PolarHBondContact NE1-OD2 2.81Å; V188-D190 PolarHBondContact O-N 2.91Å; D190-F192 PolarHBondContact OD1-N 2.99Å; D190-F192 VanDerWaalsContact OD1-N 3.08Å
191H60.4Low65.9Low153 Ų15388.6 Ų88.671%0.70850%0.499SS*.  trans-89.2-11.1180-80.9-69.8000112V188 S189 S193V188-H191 WeakPolarHBondContact CG1-CD2 3.39Å; S189-H191 PolarHBondContact O-CD2 3.06Å; S189-H191 VanDerWaalsContact O-CD2 3.27Å; S189-H191 PolarHBondContact O-N 3.06Å; H191-S193 PolarHBondContact O-N 2.82Å
192F59.2Low65.2Low147 Ų14786.5 Ų86.565%0.64549%0.488SS*.  trans-81.3113.9178.2-86.3-87.9000109.8D190 E194D190-F192 PolarHBondContact OD1-N 2.99Å; D190-F192 VanDerWaalsContact OD1-N 3.08Å; F192-E194 PolarHBondContact O-N 3.42Å
193S57.7Low64.5Low119 Ų11988.3 Ų88.383%0.83250%0.504SS*.SBendtrans-69.512.8173.452.90000114.1H191 P195H191-S193 PolarHBondContact O-N 2.82Å; S193-P195 WeakPolarHBondContact O-CD 3.29Å
194E55.2Low63.7Low152 Ų15290.1 Ų90.171%0.7152%0.516SS*.  trans-108.396173.7-69.4-170.7179.100108.8F192F192-E194 PolarHBondContact O-N 3.42Å
195P58.9Low62.8Low94 Ų9490.6 Ų90.661%0.6151%0.513SS*.  trans-62.3143.1168.227.4-31000107.3S193 H197S193-P195 WeakPolarHBondContact O-CD 3.29Å; P195-H197 PolarHBondContact O-N 2.61Å; P195-H197 VanDerWaalsContact O-N 3.16Å
196P58.6Low62.1Low32 Ų3293.1 Ų93.121%0.20853%0.527CS..  trans-57.2135.5166.934.7-40.4000105.2W182 A198 A199W182-P196 HydrophobicContact CE3-CB 3.96Å; W182-P196 HydrophobicContact CE3-CG 4.29Å; W182-P196 HydrophobicContact CH2-CB 3.72Å; W182-P196 HydrophobicContact CH2-CG 3.2Å; W182-P196 HydrophobicContact CZ2-CB 4.21Å; W182-P196 HydrophobicContact CZ2-CG 3.49Å; W182-P196 VanDerWaalsContact CZ2-CG 3.49Å; W182-P196 HydrophobicContact CZ3-CB 3.47Å; W182-P196 VanDerWaalsContact CZ3-CB 3.47Å; W182-P196 HydrophobicContact CZ3-CG 3.57Å; P196-A198 HydrophobicContact CB-CB 4.09Å; P196-A198 HydrophobicContact CG-CB 4.43Å; P196-A198 PolarHBondContact O-N 3.39Å; P196-A199 HydrophobicContact CG-CB 4.39Å; P196-A199 PolarHBondContact O-N 2.94Å
197H59.1Low61.2Low190 Ų19099.9 Ų99.988%0.8855%0.551SS**THydrogen-bonded Turntrans-55.31.6169.3-67.4-87.2000113.1P195 P201P195-H197 PolarHBondContact O-N 2.61Å; P195-H197 VanDerWaalsContact O-N 3.16Å; H197-P201 WeakPolarHBondContact O-CD 3.45Å; H197-P201 WeakPolarHBondContact O-CG 3.39Å
198A55.9Low60.1Low58 Ų58103.8 Ų103.848%0.47957%0.565SS.*THydrogen-bonded Turntrans-90.7-28.2-178.800000116.2P196 P201P196-A198 HydrophobicContact CB-CB 4.09Å; P196-A198 HydrophobicContact CG-CB 4.43Å; P196-A198 PolarHBondContact O-N 3.39Å; A198-P201 WeakPolarHBondContact O-CD 3.4Å
199A58.1Low59.4Low50 Ų50105.1 Ų105.141%0.41357%0.569SS.*Hα-helixtrans-74.5-37-176.800000112.8P196 L202 L203P196-A199 HydrophobicContact CG-CB 4.39Å; P196-A199 PolarHBondContact O-N 2.94Å; A199-L202 PolarHBondContact O-N 3.02Å; A199-L203 PolarHBondContact O-N 3.31Å
200G56.5Low59.1Low38 Ų38103.5 Ų103.539%0.39256%0.558SS.*Hα-helixtrans-58.2-52.3175.100000112.7L202 L203 L204G200-L202 VanDerWaalsContact C-N 3.29Å; G200-L202 PolarHBondContact O-N 3.09Å; G200-L203 PolarHBondContact O-N 2.93Å; G200-L204 VanDerWaalsContact O-CB 3.3Å; G200-L204 WeakPolarHBondContact O-CB 3Å; G200-L204 VanDerWaalsContact O-CG 3.22Å; G200-L204 WeakPolarHBondContact O-CG 3.38Å; G200-L204 PolarHBondContact O-N 3.48Å
201P57.3Low58.7Low72 Ų72100.4 Ų100.447%0.46855%0.548SS..Hα-helixtrans-56.9-34.4176-29.135000114.8H197 A198 L205H197-P201 WeakPolarHBondContact O-CD 3.45Å; H197-P201 WeakPolarHBondContact O-CG 3.39Å; A198-P201 WeakPolarHBondContact O-CD 3.4Å; P201-L205 WeakPolarHBondContact O-CB 3.33Å; P201-L205 PolarHBondContact O-N 3.43Å
202L60.6Low58.3Low108 Ų10899.5 Ų99.557%0.56554%0.542SS*.Hα-helixtrans-70.6-45.9178.5-97.3147.1000112.3A199 G200 L204 L205 D206A199-L202 PolarHBondContact O-N 3.02Å; G200-L202 VanDerWaalsContact C-N 3.29Å; G200-L202 PolarHBondContact O-N 3.09Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-L204 PolarHBondContact O-N 3.27Å; L202-L205 PolarHBondContact O-N 3.07Å; L202-D206 PolarHBondContact O-N 3.33Å
203L59.7Low58Low128 Ų12897.5 Ų97.567%0.6753%0.533SS*.Hα-helixtrans-65.6-36.9173.6-69175.2000111.6A199 G200 Y207A199-L203 PolarHBondContact O-N 3.31Å; G200-L203 PolarHBondContact O-N 2.93Å; L203-Y207 VanDerWaalsContact O-CB 3.31Å; L203-Y207 WeakPolarHBondContact O-CB 3.34Å; L203-Y207 PolarHBondContact O-N 3.04Å
204L57Low57.8Low98 Ų9894 Ų9451%0.51350%0.503SS..Hα-helixtrans-66.4-39.2173.1-73.7173.8000111.4G200 L202 Y207 F208G200-L204 VanDerWaalsContact O-CB 3.3Å; G200-L204 WeakPolarHBondContact O-CB 3Å; G200-L204 VanDerWaalsContact O-CG 3.22Å; G200-L204 WeakPolarHBondContact O-CG 3.38Å; G200-L204 PolarHBondContact O-N 3.48Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-L204 PolarHBondContact O-N 3.27Å; L204-Y207 CarbonylContact O-C 3.58Å; L204-Y207 PolarHBondContact O-N 2.82Å; L204-F208 WeakPolarHBondContact O-CB 3.47Å; L204-F208 VanDerWaalsContact O-CD2 3.29Å; L204-F208 WeakPolarHBondContact O-CD2 3.25Å; L204-F208 PolarHBondContact O-N 2.93Å
205L56.6Low57.7Low95 Ų9590.7 Ų90.750%0.49749%0.49SS..Hα-helixtrans-66.2-44177-174.268.6000110.4P201 L202 Y207 F208 I209P201-L205 WeakPolarHBondContact O-CB 3.33Å; P201-L205 PolarHBondContact O-N 3.43Å; L202-L205 PolarHBondContact O-N 3.07Å; L205-Y207 VanDerWaalsContact C-N 3.34Å; L205-Y207 PolarHBondContact O-N 2.82Å; L205-F208 PolarHBondContact O-N 2.9Å; L205-I209 HydrophobicContact CD1-CD1 4.03Å; L205-I209 HydrophobicContact CD1-CG1 4.15Å; L205-I209 HydrophobicContact CD2-CD1 4.24Å; L205-I209 HydrophobicContact CG-CD1 3.69Å; L205-I209 HydrophobicContact CG-CG1 4.18Å; L205-I209 VanDerWaalsContact O-CB 3.29Å; L205-I209 WeakPolarHBondContact O-CB 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.42Å; L205-I209 PolarHBondContact O-N 3.36Å
206D65.8Low57.6Low101 Ų10190.2 Ų90.254%0.5449%0.486SS..Hα-helixtrans-60-44.6173.2-85-11.2000111.3L202 S210L202-D206 PolarHBondContact O-N 3.33Å; D206-S210 WeakPolarHBondContact O-CB 3.49Å; D206-S210 PolarHBondContact O-N 3.15Å
207Y61.8Low57.3Low180 Ų18092 Ų9271%0.70649%0.491SS*.Hα-helixtrans-63.8-41.5175.3-173.6-97000112.3L203 L204 L205 G211L203-Y207 VanDerWaalsContact O-CB 3.31Å; L203-Y207 WeakPolarHBondContact O-CB 3.34Å; L203-Y207 PolarHBondContact O-N 3.04Å; L204-Y207 CarbonylContact O-C 3.58Å; L204-Y207 PolarHBondContact O-N 2.82Å; L205-Y207 VanDerWaalsContact C-N 3.34Å; L205-Y207 PolarHBondContact O-N 2.82Å; Y207-G211 PolarHBondContact O-N 3.36Å
208F53.4Low57.1Low115 Ų11589.8 Ų89.850%0.50448%0.475SS..Hα-helixtrans-72.4-39.6179.4-99.2-78.3000112.6L204 L205 G211 K212L204-F208 WeakPolarHBondContact O-CB 3.47Å; L204-F208 VanDerWaalsContact O-CD2 3.29Å; L204-F208 WeakPolarHBondContact O-CD2 3.25Å; L204-F208 PolarHBondContact O-N 2.93Å; L205-F208 PolarHBondContact O-N 2.9Å; F208-G211 PolarHBondContact O-N 3.45Å; F208-K212 HydrophobicContact CD1-CD 4.33Å; F208-K212 HydrophobicContact CD1-CG 4.39Å; F208-K212 WeakPolarHBondContact O-CB 3.46Å; F208-K212 WeakPolarHBondContact O-CG 3.15Å; F208-K212 PolarHBondContact O-N 3.34Å
209I58.9Low56.8Low95 Ų9596 Ų9649%0.48749%0.486SS..Hα-helixtrans-65.1-47.6175.8-72.1173.1000108.4L205 G211 F213L205-I209 HydrophobicContact CD1-CD1 4.03Å; L205-I209 HydrophobicContact CD1-CG1 4.15Å; L205-I209 HydrophobicContact CD2-CD1 4.24Å; L205-I209 HydrophobicContact CG-CD1 3.69Å; L205-I209 HydrophobicContact CG-CG1 4.18Å; L205-I209 VanDerWaalsContact O-CB 3.29Å; L205-I209 WeakPolarHBondContact O-CB 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.42Å; L205-I209 PolarHBondContact O-N 3.36Å; I209-G211 PolarHBondContact O-N 3.34Å; I209-F213 WeakPolarHBondContact O-CB 3.26Å; I209-F213 PolarHBondContact O-N 3.2Å
210S63.1Low56.7Low55 Ų5599 Ų9939%0.38549%0.492SS..Hα-helixtrans-57.2-51.6174.5-1620000110.1D206 F214D206-S210 WeakPolarHBondContact O-CB 3.49Å; D206-S210 PolarHBondContact O-N 3.15Å; S210-F214 WeakPolarHBondContact O-CB 3.29Å; S210-F214 WeakPolarHBondContact O-CD2 3.19Å; S210-F214 WeakPolarHBondContact O-CG 3.23Å; S210-F214 PolarHBondContact O-N 3.14Å; S210-F214 VanDerWaalsContact O-N 3.15Å; S210-F214 WeakPolarHBondContact OG-CE2 3.26Å
211G58.1Low56.5Low29 Ų2998.9 Ų98.930%0.29949%0.487SS..Hα-helixtrans-65.7-39.8-179.700000116Y207 F208 I209 N215Y207-G211 PolarHBondContact O-N 3.36Å; F208-G211 PolarHBondContact O-N 3.45Å; I209-G211 PolarHBondContact O-N 3.34Å; G211-N215 PolarHBondContact O-N 3.21Å; G211-N215 PolarHBondContact O-ND2 3.31Å
212K53Low56.4Low134 Ų13498.4 Ų98.458%0.58349%0.489SS*.Hα-helixtrans-76.7-40.5180-77-176174179.10111.8F208 F214 N215 V216F208-K212 HydrophobicContact CD1-CD 4.33Å; F208-K212 HydrophobicContact CD1-CG 4.39Å; F208-K212 WeakPolarHBondContact O-CB 3.46Å; F208-K212 WeakPolarHBondContact O-CG 3.15Å; F208-K212 PolarHBondContact O-N 3.34Å; K212-F214 PolarHBondContact O-N 3.1Å; K212-N215 PolarHBondContact O-N 2.97Å; K212-V216 WeakPolarHBondContact O-CG2 3.2Å; K212-V216 PolarHBondContact O-N 2.78Å
213F52.2Low56Low104 Ų104101.5 Ų101.546%0.45649%0.494SS..Hα-helixtrans-59.1-39.1173.6-165.3-84.9000110.7Q60 I209 H217Q60-F213 HydrophobicContact CG-CE1 4.07Å; I209-F213 WeakPolarHBondContact O-CB 3.26Å; I209-F213 PolarHBondContact O-N 3.2Å; F213-H217 PolarHBondContact O-N 2.9Å
214F53.6Low55.5Low45 Ų4597.2 Ų97.220%0.19748%0.481CS..Hα-helixtrans-67.6-31.2174-77.9-52.8000114.5L67 S210 K212 R218L67-F214 HydrophobicContact CD1-CB 3.94Å; L67-F214 HydrophobicContact CD1-CD1 3.19Å; L67-F214 HydrophobicContact CD1-CE1 3.87Å; L67-F214 HydrophobicContact CD1-CG 3.84Å; L67-F214 HydrophobicContact CG-CD1 4.28Å; S210-F214 WeakPolarHBondContact O-CB 3.29Å; S210-F214 WeakPolarHBondContact O-CD2 3.19Å; S210-F214 WeakPolarHBondContact O-CG 3.23Å; S210-F214 PolarHBondContact O-N 3.14Å; S210-F214 VanDerWaalsContact O-N 3.15Å; S210-F214 WeakPolarHBondContact OG-CE2 3.26Å; K212-F214 PolarHBondContact O-N 3.1Å; F214-R218 PolarHBondContact O-N 3.31Å
215N54Low55.2Low83 Ų83100.2 Ų100.244%0.44449%0.492SS..Hα-helixtrans-79.9-33.6177.8-81.8-42.6000113.6G211 K212 R218 R219G211-N215 PolarHBondContact O-N 3.21Å; G211-N215 PolarHBondContact O-ND2 3.31Å; K212-N215 PolarHBondContact O-N 2.97Å; N215-R218 PolarHBondContact O-N 2.86Å; N215-R219 PolarHBondContact O-N 3.23Å
216V55.9Low55Low84 Ų8499.7 Ų99.751%0.50950%0.502SS..Hα-helixtrans-63.9-48.4178.11710000110.7K212 R218 R219 E220K212-V216 WeakPolarHBondContact O-CG2 3.2Å; K212-V216 PolarHBondContact O-N 2.78Å; V216-R218 VanDerWaalsContact C-N 3.3Å; V216-R218 PolarHBondContact O-N 3.29Å; V216-R219 PolarHBondContact O-N 2.89Å; V216-R219 VanDerWaalsContact O-N 3.07Å; V216-E220 PolarHBondContact O-N 3.08Å; V216-E220 VanDerWaalsContact O-N 3.15Å
217H53Low54.1Low71 Ų71100.1 Ų100.133%0.32951%0.508SS..Hα-helixtrans-67-27.5176.9-97.5-23.2000113.9V64 F213 R219 E220 A221V64-H217 HydrophobicContact CG1-CB 4.41Å; F213-H217 PolarHBondContact O-N 2.9Å; H217-R219 VanDerWaalsContact C-N 3.29Å; H217-R219 PolarHBondContact O-N 3.27Å; H217-E220 IonicContact CE1-OE2 3.94Å; H217-E220 PolarHBondContact CE1-OE2 2.93Å; H217-E220 IonicContact CG-OE2 3.48Å; H217-E220 IonicContact ND1-OE2 3.67Å; H217-E220 PolarHBondContact ND1-OE2 3.26Å; H217-E220 PolarHBondContact O-N 3Å; H217-A221 WeakPolarHBondContact O-CB 3.28Å; H217-A221 PolarHBondContact O-N 3.11Å
218R54Low53.1Low143 Ų14398.1 Ų98.154%0.5451%0.509SS..Hα-helixtrans-62.7-37.7171.4-172.3-171.9-69.9167.21.6111.4F214 N215 V216 A222F214-R218 PolarHBondContact O-N 3.31Å; N215-R218 PolarHBondContact O-N 2.86Å; V216-R218 VanDerWaalsContact C-N 3.3Å; V216-R218 PolarHBondContact O-N 3.29Å; R218-A222 WeakPolarHBondContact O-CB 3.45Å; R218-A222 PolarHBondContact O-N 3.16Å
219R51Low52.2Low187 Ų18797.8 Ų97.871%0.70652%0.518SS*.Hα-helixtrans-69.6-47.2176.9-71.7-172.5176.6-167.3-1.2110.9N215 V216 H217 A221 A222 Y223N215-R219 PolarHBondContact O-N 3.23Å; V216-R219 PolarHBondContact O-N 2.89Å; V216-R219 VanDerWaalsContact O-N 3.07Å; H217-R219 VanDerWaalsContact C-N 3.29Å; H217-R219 PolarHBondContact O-N 3.27Å; R219-A221 VanDerWaalsContact C-N 3.29Å; R219-A221 PolarHBondContact O-N 3.3Å; R219-A222 PolarHBondContact O-N 3.19Å; R219-A222 VanDerWaalsContact O-N 3.14Å; R219-Y223 WeakPolarHBondContact O-CD2 3.12Å; R219-Y223 PolarHBondContact O-N 3.38Å
220E54.6Low51.3Low114 Ų114100 Ų10053%0.53354%0.541SS..Hα-helixtrans-60.6-38.5179.3-68.6178.216000112.7V216 H217 Y223 G224V216-E220 PolarHBondContact O-N 3.08Å; V216-E220 VanDerWaalsContact O-N 3.15Å; H217-E220 IonicContact CE1-OE2 3.94Å; H217-E220 PolarHBondContact CE1-OE2 2.93Å; H217-E220 IonicContact CG-OE2 3.48Å; H217-E220 IonicContact ND1-OE2 3.67Å; H217-E220 PolarHBondContact ND1-OE2 3.26Å; H217-E220 PolarHBondContact O-N 3Å; E220-Y223 PolarHBondContact O-N 3.41Å; E220-G224 PolarHBondContact O-N 3.38Å
221A53.8Low50.3Low35 Ų35101.6 Ų101.629%0.28956%0.557SS.*Hα-helixtrans-66.1-40.4174.100000113.7L68 H217 R219 Y223 G224 E225L68-A221 HydrophobicContact CD2-CB 3.11Å; H217-A221 WeakPolarHBondContact O-CB 3.28Å; H217-A221 PolarHBondContact O-N 3.11Å; R219-A221 VanDerWaalsContact C-N 3.29Å; R219-A221 PolarHBondContact O-N 3.3Å; A221-Y223 VanDerWaalsContact C-N 3.3Å; A221-Y223 PolarHBondContact O-N 3.06Å; A221-G224 PolarHBondContact O-N 3.22Å; A221-E225 PolarHBondContact O-N 3.26Å; A221-E225 VanDerWaalsContact O-N 3.14Å
222A55Low49.2Very low62 Ų62107.4 Ų107.451%0.51258%0.581SS.*Hα-helixtrans-66.9-31.7176.200000112.3R218 R219 A226R218-A222 WeakPolarHBondContact O-CB 3.45Å; R218-A222 PolarHBondContact O-N 3.16Å; R219-A222 PolarHBondContact O-N 3.19Å; R219-A222 VanDerWaalsContact O-N 3.14Å; A222-A226 PolarHBondContact O-N 2.83Å
223Y51.6Low48.4Very low174 Ų174106.1 Ų106.168%0.68260%0.596SS**Hα-helixtrans-76.6-31.8173.8-81.7-74.4000113R219 E220 A221 T227R219-Y223 WeakPolarHBondContact O-CD2 3.12Å; R219-Y223 PolarHBondContact O-N 3.38Å; E220-Y223 PolarHBondContact O-N 3.41Å; A221-Y223 VanDerWaalsContact C-N 3.3Å; A221-Y223 PolarHBondContact O-N 3.06Å; Y223-T227 PolarHBondContact O-OG1 3.49Å
224G49.5Very low47.5Very low38 Ų38105.4 Ų105.439%0.39260%0.604SS.*Hα-helixtrans-72.7-29.6176.200000114.2E220 A221 T227E220-G224 PolarHBondContact O-N 3.38Å; A221-G224 PolarHBondContact O-N 3.22Å; G224-T227 PolarHBondContact O-OG1 3.18Å
225E51.1Low46.6Very low160 Ų160118 Ų11875%0.74865%0.652SS**Hα-helixtrans-82.9-20.4176.9-151.8168.3-164.800112.4A221 T227A221-E225 PolarHBondContact O-N 3.26Å; A221-E225 VanDerWaalsContact O-N 3.14Å; E225-T227 VanDerWaalsContact C-N 3.3Å; E225-T227 PolarHBondContact O-N 3.3Å
226A50.7Low46.3Very low84 Ų84119.8 Ų119.869%0.69466%0.663SS**THydrogen-bonded Turntrans-77.8-11.1173.600000114A222A222-A226 PolarHBondContact O-N 2.83Å
227T48.6Very low45.8Very low110 Ų110121.7 Ų121.768%0.67567%0.671SS**THydrogen-bonded Turntrans-1072.5-177.8430000114.2Y223 G224 E225 P229Y223-T227 PolarHBondContact O-OG1 3.49Å; G224-T227 PolarHBondContact O-OG1 3.18Å; E225-T227 VanDerWaalsContact C-N 3.3Å; E225-T227 PolarHBondContact O-N 3.3Å; T227-P229 WeakPolarHBondContact O-CD 3.33Å
228L40.4Very low45.4Very low139 Ų139124.5 Ų124.573%0.72869%0.69SS**  trans-93.5107.4170.5-79165.4000110.1
229P35.2Very low44.9Very low108 Ų108123.4 Ų123.470%0.70170%0.698SS**  trans-67.7145.8174.231.3-33.1000108.9T227 A231T227-P229 WeakPolarHBondContact O-CD 3.33Å; P229-A231 PolarHBondContact O-N 2.7Å
230C40Very low44.5Very low142 Ų142119.4 Ų119.496%0.95970%0.698SS**  trans-3796.1169.5-67.90000112.3
231A40.6Very low43.8Very low87 Ų87119.8 Ų119.872%0.71971%0.709SS**  trans-108.7106.8170.300000107.8P229P229-A231 PolarHBondContact O-N 2.7Å
232N36.4Very low43.1Very low152 Ų152125.9 Ų125.981%0.81374%0.739SS**  trans73.774.9161.1-59.1-12.3000117.7
233A35.2Very low42.2Very low107 Ų107130.8 Ų130.888%0.88476%0.756SS**  trans-93.295.7138.300000107.6
234S33Very low41.4Very low89 Ų89127.2 Ų127.262%0.62276%0.763SS**  trans-154127.8169.9-610000108.1
235Y36.1Very low40.7Very low310 Ų310135.3 Ų135.3100%1.21680%0.796SS**  trans84.30-175.2-54.7-75.4000117.2

Retrieved 235 of 235 residues in 219.1 ms (Link to these results)

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