A0A077Z1M5_TRITR Loading...

Cytochrome c oxidase assembly factor 6 homolog

AlphaFold DB , UniProt , Accession A0A077Z1M5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 84 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
1M48.1Very low62.5Low236 Ų236113.6 Ų113.6100%1.16364%0.638SS**  096.20-67.6172.2174.400106.8V3M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.16Å
2S62.4Low64Low133 Ų133112.7 Ų112.793%0.9363%0.625SS**  trans-78.192.6-179.918.60000108.9
3V61Low65.6Low118 Ų118110.6 Ų110.672%0.71560%0.602SS**  trans-89.5149.7165.9-170.10000107M1M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.16Å
4Q56.3Low67.1Low168 Ų168109.3 Ų109.379%0.78559%0.587SS**  trans99.155.4164.2-48.6-179.2-52.600117.2
5D55.5Low68.5Low110 Ų110110.7 Ų110.759%0.58859%0.586SS**  trans-87.163.9135-165.3-105.4000108P8 L9D5-P8 VanDerWaalsContact CG-CD 3.45Å; D5-P8 VanDerWaalsContact CG-CG 3.41Å; D5-P8 WeakPolarHBondContact OD1-CB 3.33Å; D5-P8 VanDerWaalsContact OD1-CD 3.23Å; D5-P8 WeakPolarHBondContact OD1-CD 3.36Å; D5-P8 WeakPolarHBondContact OD1-CG 3.42Å; D5-P8 WeakPolarHBondContact OD2-CD 3.2Å; D5-P8 WeakPolarHBondContact OD2-CG 3.16Å; D5-L9 WeakPolarHBondContact O-CD1 3.19Å
6D59.2Low69.9Low122 Ų122104 Ų10465%0.65255%0.551SS**  trans-90.5-9.1-174-149.9-111.4000112.7
7V60.6Low71.1Confident113 Ų113100.8 Ų100.869%0.68553%0.529SS*.SBendtrans-97.7-36.3-175.6-176.60000114L9 L10V7-L9 PolarHBondContact O-N 2.88Å; V7-L10 PolarHBondContact O-N 2.92Å
8P57.3Low72.3Confident47 Ų4798.7 Ų98.731%0.30553%0.525SS..Hα-helixtrans-65.9-21179.4-27.541.3000113.9D5 L10 S11 E12D5-P8 VanDerWaalsContact CG-CD 3.45Å; D5-P8 VanDerWaalsContact CG-CG 3.41Å; D5-P8 WeakPolarHBondContact OD1-CB 3.33Å; D5-P8 VanDerWaalsContact OD1-CD 3.23Å; D5-P8 WeakPolarHBondContact OD1-CD 3.36Å; D5-P8 WeakPolarHBondContact OD1-CG 3.42Å; D5-P8 WeakPolarHBondContact OD2-CD 3.2Å; D5-P8 WeakPolarHBondContact OD2-CG 3.16Å; P8-L10 PolarHBondContact O-N 3.49Å; P8-S11 PolarHBondContact O-N 3.01Å; P8-S11 PolarHBondContact O-OG 2.9Å; P8-S11 VanDerWaalsContact O-OG 3.05Å; P8-E12 WeakPolarHBondContact O-CG 3.22Å; P8-E12 PolarHBondContact O-N 3.21Å; P8-E12 VanDerWaalsContact O-N 3.13Å
9L68.7Low73.3Confident50 Ų5093.7 Ų93.726%0.26250%0.498SS..Hα-helixtrans-61.2-28.2177.5-79.782.3000112.4D5 V7 R13D5-L9 WeakPolarHBondContact O-CD1 3.19Å; V7-L9 PolarHBondContact O-N 2.88Å; L9-R13 WeakPolarHBondContact O-CB 3.28Å; L9-R13 PolarHBondContact O-N 3.11Å
10L77.4Confident74.2Confident76 Ų7689.5 Ų89.540%0.39848%0.475SS..Hα-helixtrans-69.9-46.3179.9-70.4171.2000111.8V7 P8 R13 K14 L82V7-L10 PolarHBondContact O-N 2.92Å; P8-L10 PolarHBondContact O-N 3.49Å; L10-R13 PolarHBondContact O-N 3.45Å; L10-K14 WeakPolarHBondContact O-CB 3.38Å; L10-K14 WeakPolarHBondContact O-CG 3.49Å; L10-K14 PolarHBondContact O-N 3.17Å; L10-L82 HydrophobicContact CD2-CD2 4.39Å
11S80.7Confident75.1Confident77 Ų7789.3 Ų89.354%0.53848%0.475SS..Hα-helixtrans-70.6-41.4179.851.80000111.6P8 R13 K14 K15P8-S11 PolarHBondContact O-N 3.01Å; P8-S11 PolarHBondContact O-OG 2.9Å; P8-S11 VanDerWaalsContact O-OG 3.05Å; S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 2.71Å; S11-K14 PolarHBondContact O-N 3.02Å; S11-K15 PolarHBondContact O-N 2.93Å
12E80.9Confident77.3Confident102 Ų10282.8 Ų82.848%0.47744%0.44SS..Hα-helixtrans-60.2-42.3171.7-69.5-165.4113.900111.5P8 K15 C16P8-E12 WeakPolarHBondContact O-CG 3.22Å; P8-E12 PolarHBondContact O-N 3.21Å; P8-E12 VanDerWaalsContact O-N 3.13Å; E12-K15 PolarHBondContact O-N 3.34Å; E12-C16 WeakPolarHBondContact O-CB 3.23Å; E12-C16 PolarHBondContact O-N 3.23Å
13R84.3Confident78.7Confident86 Ų8676.6 Ų76.633%0.32540%0.396SS..Hα-helixtrans-64.7-42.1176.1-179179.9-74.5175.80.2111.9L9 L10 S11 K15 C16 W17L9-R13 WeakPolarHBondContact O-CB 3.28Å; L9-R13 PolarHBondContact O-N 3.11Å; L10-R13 PolarHBondContact O-N 3.45Å; S11-R13 VanDerWaalsContact C-N 3.32Å; S11-R13 PolarHBondContact O-N 2.71Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.88Å; R13-C16 WeakPolarHBondContact O-CB 3.36Å; R13-C16 PolarHBondContact O-N 3.22Å; R13-W17 HydrophobicContact CG-CD2 4.15Å; R13-W17 HydrophobicContact CG-CZ2 3.9Å; R13-W17 PolarHBondContact O-N 2.71Å
14K87.5Confident80.1Confident92 Ų9272.5 Ų72.540%0.437%0.368SS..Hα-helixtrans-59-44.5174.7-77.5176.8-179.1177.20110.7L10 S11 W17 S18 E84L10-K14 WeakPolarHBondContact O-CB 3.38Å; L10-K14 WeakPolarHBondContact O-CG 3.49Å; L10-K14 PolarHBondContact O-N 3.17Å; S11-K14 PolarHBondContact O-N 3.02Å; K14-W17 PolarHBondContact O-N 2.84Å; K14-S18 PolarHBondContact O-N 3.38Å; K14-E84 PolarHBondContact NZ-OXT 3.16Å
15K88.1Confident81.8Confident131 Ų13168.2 Ų68.257%0.5736%0.356SS*.Hα-helixtrans-61-48.3174.8-171.1-178.4-179.5-177.80111.7S11 E12 R13 W17 S18 S19 S47S11-K15 PolarHBondContact O-N 2.93Å; E12-K15 PolarHBondContact O-N 3.34Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.88Å; K15-W17 VanDerWaalsContact C-N 3.32Å; K15-W17 PolarHBondContact O-N 3.26Å; K15-S18 WeakPolarHBondContact O-CB 3.19Å; K15-S18 PolarHBondContact O-N 3.48Å; K15-S18 VanDerWaalsContact O-N 3.14Å; K15-S19 PolarHBondContact O-N 2.94Å; K15-S47 WeakPolarHBondContact CE-OG 3.4Å
16C90Very high83.6Confident3 Ų363.7 Ų63.72%0.0233%0.333CS..Hα-helixtrans-54.9-46.2176.4169.10000112.3E12 R13 S19 R20 C48E12-C16 WeakPolarHBondContact O-CB 3.23Å; E12-C16 PolarHBondContact O-N 3.23Å; R13-C16 WeakPolarHBondContact O-CB 3.36Å; R13-C16 PolarHBondContact O-N 3.22Å; C16-S19 PolarHBondContact O-N 2.97Å; C16-R20 WeakPolarHBondContact O-CB 3.38Å; C16-R20 PolarHBondContact O-N 2.99Å; C16-C48 VanDerWaalsContact C-SG 3.58Å; C16-C48 WeakPolarHBondContact CA-SG 3.49Å; C16-C48 HydrophobicContact CB-CB 3.89Å; C16-C48 WeakPolarHBondContact CB-SG 3.3Å; C16-C48 PolarHBondContact O-SG 2.85Å; C16-C48 VanDerWaalsContact O-SG 3.38Å; C16-C48 WeakPolarHBondContact SG-CB 3.48Å; C16-C48 CovalentContact SG-SG 2.01Å; C16-C48 PolarHBondContact SG-SG 3.09Å
17W90.9Very high85.1Confident49 Ų4957.9 Ų57.919%0.18630%0.302CS..Hα-helixtrans-67.3-35.6177.6-70.3-3.8000113R13 K14 K15 R20 D21 F56 L82R13-W17 HydrophobicContact CG-CD2 4.15Å; R13-W17 HydrophobicContact CG-CZ2 3.9Å; R13-W17 PolarHBondContact O-N 2.71Å; K14-W17 PolarHBondContact O-N 2.84Å; K15-W17 VanDerWaalsContact C-N 3.32Å; K15-W17 PolarHBondContact O-N 3.26Å; W17-R20 WeakPolarHBondContact O-CB 3.5Å; W17-R20 PolarHBondContact O-N 3.25Å; W17-D21 WeakPolarHBondContact O-CB 3.04Å; W17-D21 PolarHBondContact O-N 2.9Å; W17-F56 AromaticContact NE1-CZ 3.99Å; W17-L82 HydrophobicContact CH2-CB 3.82Å; W17-L82 HydrophobicContact CH2-CD2 4.35Å; W17-L82 HydrophobicContact CZ3-CB 3.44Å; W17-L82 VanDerWaalsContact CZ3-CB 3.44Å
18S92.4Very high86.5Confident64 Ų6458.3 Ų58.345%0.44830%0.3SS..Hα-helixtrans-63.7-46.4173.9-177.40000111.7K14 K15 R20 D21 K22K14-S18 PolarHBondContact O-N 3.38Å; K15-S18 WeakPolarHBondContact O-CB 3.19Å; K15-S18 PolarHBondContact O-N 3.48Å; K15-S18 VanDerWaalsContact O-N 3.14Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.49Å; S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.05Å; S18-K22 WeakPolarHBondContact O-CG 3.26Å; S18-K22 PolarHBondContact O-N 2.8Å; S18-K22 VanDerWaalsContact O-N 3.1Å
19S92.3Very high88.2Confident3 Ų362.6 Ų62.62%0.02132%0.321CS..Hα-helixtrans-66.7-33.7175.7-61.90000112.5K15 C16 D21 Y23 E43K15-S19 PolarHBondContact O-N 2.94Å; C16-S19 PolarHBondContact O-N 2.97Å; S19-D21 VanDerWaalsContact C-N 3.35Å; S19-Y23 WeakPolarHBondContact O-CB 3.05Å; S19-Y23 PolarHBondContact O-N 3.03Å; S19-E43 WeakPolarHBondContact OG-CG 3.02Å; S19-E43 PolarHBondContact OG-OE1 3.45Å
20R91.5Very high89.3Confident9 Ų961.8 Ų61.83%0.03432%0.317CS..Hα-helixtrans-59.9-46.7171.2-175.1-156.467.9-145.5-4111C16 W17 S18 Y23 W24 F44 F56C16-R20 WeakPolarHBondContact O-CB 3.38Å; C16-R20 PolarHBondContact O-N 2.99Å; W17-R20 WeakPolarHBondContact O-CB 3.5Å; W17-R20 PolarHBondContact O-N 3.25Å; S18-R20 VanDerWaalsContact C-N 3.32Å; S18-R20 PolarHBondContact O-N 3.49Å; R20-Y23 WeakPolarHBondContact O-CB 3.38Å; R20-Y23 PolarHBondContact O-N 2.8Å; R20-Y23 VanDerWaalsContact O-N 3.16Å; R20-W24 HydrophobicContact CG-CD2 4.1Å; R20-W24 HydrophobicContact CG-CG 4.32Å; R20-W24 HydrophobicContact CG-CZ2 4.19Å; R20-W24 WeakPolarHBondContact O-CB 3.4Å; R20-W24 PolarHBondContact O-N 3.07Å; R20-F44 HydrophobicContact CB-CD2 3.82Å; R20-F44 HydrophobicContact CB-CE2 3.6Å; R20-F44 HydrophobicContact CG-CE2 3.96Å; R20-F44 HydrophobicContact CG-CZ 4.42Å; R20-F56 VanDerWaalsContact CD-CD1 3.46Å; R20-F56 VanDerWaalsContact CD-CE1 3.49Å; R20-F56 HydrophobicContact CG-CD1 4.37Å; R20-F56 HydrophobicContact CG-CD2 4.25Å; R20-F56 HydrophobicContact CG-CG 4.15Å
21D92.1Very high89.6Confident87 Ų8764 Ų6447%0.46533%0.329SS..Hα-helixtrans-62-45.4-177.9-155.9-103.5000111.4W17 S18 S19 Y23 W24 S25W17-D21 WeakPolarHBondContact O-CB 3.04Å; W17-D21 PolarHBondContact O-N 2.9Å; S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.05Å; S19-D21 VanDerWaalsContact C-N 3.35Å; D21-Y23 VanDerWaalsContact C-N 3.32Å; D21-Y23 PolarHBondContact O-N 2.74Å; D21-W24 PolarHBondContact O-N 3.21Å; D21-S25 VanDerWaalsContact O-CB 3.28Å; D21-S25 WeakPolarHBondContact O-CB 3.41Å; D21-S25 PolarHBondContact O-N 3.48Å
22K93.4Very high89.8Confident98 Ų9861.1 Ų61.143%0.42631%0.311SS..Hα-helixtrans-58.4-43171.6-64.8179-168.3170.70112.5S18 C26 Q40 E43S18-K22 WeakPolarHBondContact O-CG 3.26Å; S18-K22 PolarHBondContact O-N 2.8Å; S18-K22 VanDerWaalsContact O-N 3.1Å; K22-C26 WeakPolarHBondContact O-CB 3.5Å; K22-C26 PolarHBondContact O-N 3.17Å; K22-Q40 HydrophobicContact CB-CG 4.44Å; K22-E43 IonicContact NZ-OE1 2.75Å; K22-E43 PolarHBondContact NZ-OE1 3.5Å; K22-E43 IonicContact NZ-OE2 3.94Å; K22-E43 PolarHBondContact NZ-OE2 2.71Å
23Y92.7Very high90.1Very high3 Ų359 Ų591%0.01230%0.304CS..Hα-helixtrans-64.9-46.9179.1178.7-126000111.4S19 R20 D21 C26 L27 E34 C37 Q40 R41 F44S19-Y23 WeakPolarHBondContact O-CB 3.05Å; S19-Y23 PolarHBondContact O-N 3.03Å; R20-Y23 WeakPolarHBondContact O-CB 3.38Å; R20-Y23 PolarHBondContact O-N 2.8Å; R20-Y23 VanDerWaalsContact O-N 3.16Å; D21-Y23 VanDerWaalsContact C-N 3.32Å; D21-Y23 PolarHBondContact O-N 2.74Å; Y23-C26 PolarHBondContact O-N 3.02Å; Y23-L27 HydrophobicContact CD1-CD1 3.74Å; Y23-L27 HydrophobicContact CD2-CD1 4.22Å; Y23-L27 HydrophobicContact CD2-CG 4.22Å; Y23-L27 HydrophobicContact CE1-CD1 3.37Å; Y23-L27 HydrophobicContact CE1-CG 4.28Å; Y23-L27 HydrophobicContact CE2-CD1 3.87Å; Y23-L27 HydrophobicContact CE2-CD2 4.05Å; Y23-L27 HydrophobicContact CE2-CG 3.86Å; Y23-L27 HydrophobicContact CG-CD1 4.15Å; Y23-L27 VanDerWaalsContact CZ-CD1 3.43Å; Y23-L27 WeakPolarHBondContact O-CB 3.26Å; Y23-L27 VanDerWaalsContact O-CG 3.26Å; Y23-L27 WeakPolarHBondContact O-CG 2.91Å; Y23-L27 PolarHBondContact O-N 2.9Å; Y23-E34 WeakPolarHBondContact OH-CB 3.37Å; Y23-E34 WeakPolarHBondContact OH-CG 3.5Å; Y23-E34 PolarHBondContact OH-OE1 2.75Å; Y23-C37 HydrophobicContact CD2-CB 3.87Å; Y23-C37 HydrophobicContact CE2-CB 3.71Å; Y23-Q40 HydrophobicContact CD2-CB 4.06Å; Y23-R41 HydrophobicContact CD2-CB 4.08Å; Y23-R41 HydrophobicContact CE2-CB 3.7Å; Y23-R41 HydrophobicContact CE2-CG 4.24Å; Y23-R41 PolarHBondContact OH-NH1 3.16Å; Y23-F44 HydrophobicContact CD1-CD1 4.12Å
24W90.6Very high90.2Very high33 Ų3357 Ų5713%0.12530%0.298CS..Hα-helixtrans-65.7-39.6177.3-74.19.6000112.6R20 D21 C26 L27 D28 F56 K59 Y60R20-W24 HydrophobicContact CG-CD2 4.1Å; R20-W24 HydrophobicContact CG-CG 4.32Å; R20-W24 HydrophobicContact CG-CZ2 4.19Å; R20-W24 WeakPolarHBondContact O-CB 3.4Å; R20-W24 PolarHBondContact O-N 3.07Å; D21-W24 PolarHBondContact O-N 3.21Å; W24-C26 VanDerWaalsContact C-N 3.33Å; W24-C26 PolarHBondContact O-N 3.44Å; W24-L27 WeakPolarHBondContact O-CB 3.38Å; W24-L27 PolarHBondContact O-N 3.32Å; W24-D28 WeakPolarHBondContact O-CB 3.35Å; W24-D28 PolarHBondContact O-N 3.11Å; W24-F56 HydrophobicContact CH2-CD1 4.15Å; W24-F56 HydrophobicContact CZ2-CB 4.22Å; W24-F56 AromaticContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CG 4.35Å; W24-K59 HydrophobicContact CH2-CD 3.81Å; W24-K59 HydrophobicContact CZ2-CD 4.17Å; W24-Y60 HydrophobicContact CG-CD2 4.47Å
25S92Very high90.4Very high78 Ų7856.8 Ų56.855%0.54530%0.304SS..Hα-helixtrans-61.1-42.8174.31740000111.6D21 D28 D29D21-S25 VanDerWaalsContact O-CB 3.28Å; D21-S25 WeakPolarHBondContact O-CB 3.41Å; D21-S25 PolarHBondContact O-N 3.48Å; S25-D28 PolarHBondContact O-N 3.15Å; S25-D29 WeakPolarHBondContact O-CB 3.44Å; S25-D29 PolarHBondContact O-N 3.23Å; S25-D29 VanDerWaalsContact O-N 3.13Å
26C93.7Very high90.5Very high15 Ų1556.6 Ų56.610%0.10130%0.304CS..Hα-helixtrans-64.2-42.9173.2179.70000111.6K22 Y23 W24 D28 D29 N30 C37 Q40K22-C26 WeakPolarHBondContact O-CB 3.5Å; K22-C26 PolarHBondContact O-N 3.17Å; Y23-C26 PolarHBondContact O-N 3.02Å; W24-C26 VanDerWaalsContact C-N 3.33Å; W24-C26 PolarHBondContact O-N 3.44Å; C26-D28 PolarHBondContact O-N 3.43Å; C26-D29 PolarHBondContact O-N 2.97Å; C26-N30 VanDerWaalsContact O-CB 3.31Å; C26-N30 WeakPolarHBondContact O-CB 3.4Å; C26-N30 PolarHBondContact O-N 3.46Å; C26-N30 PolarHBondContact O-ND2 3.07Å; C26-C37 HydrophobicContact CB-CB 3.8Å; C26-C37 WeakPolarHBondContact CB-SG 3.33Å; C26-C37 PolarHBondContact O-SG 3.13Å; C26-C37 VanDerWaalsContact SG-CA 3.5Å; C26-C37 WeakPolarHBondContact SG-CB 3.5Å; C26-C37 CovalentContact SG-SG 2.03Å; C26-C37 PolarHBondContact SG-SG 3.36Å; C26-Q40 HydrophobicContact CB-CG 4.39Å; C26-Q40 PolarHBondContact SG-NE2 2.96Å; C26-Q40 VanDerWaalsContact SG-NE2 3.37Å
27L90.5Very high90.6Very high0 Ų056.5 Ų56.50%030%0.303CS..Hα-helixtrans-62.3-43.9178.4-75169.5000111.5Y23 W24 N30 N31 G32 E34 C37 Y60Y23-L27 HydrophobicContact CD1-CD1 3.74Å; Y23-L27 HydrophobicContact CD2-CD1 4.22Å; Y23-L27 HydrophobicContact CD2-CG 4.22Å; Y23-L27 HydrophobicContact CE1-CD1 3.37Å; Y23-L27 HydrophobicContact CE1-CG 4.28Å; Y23-L27 HydrophobicContact CE2-CD1 3.87Å; Y23-L27 HydrophobicContact CE2-CD2 4.05Å; Y23-L27 HydrophobicContact CE2-CG 3.86Å; Y23-L27 HydrophobicContact CG-CD1 4.15Å; Y23-L27 VanDerWaalsContact CZ-CD1 3.43Å; Y23-L27 WeakPolarHBondContact O-CB 3.26Å; Y23-L27 VanDerWaalsContact O-CG 3.26Å; Y23-L27 WeakPolarHBondContact O-CG 2.91Å; Y23-L27 PolarHBondContact O-N 2.9Å; W24-L27 WeakPolarHBondContact O-CB 3.38Å; W24-L27 PolarHBondContact O-N 3.32Å; L27-N30 CarbonylContact O-C 3.25Å; L27-N30 VanDerWaalsContact O-C 3.25Å; L27-N30 WeakPolarHBondContact O-CA 3.48Å; L27-N30 PolarHBondContact O-N 3.44Å; L27-N31 PolarHBondContact O-N 3.32Å; L27-G32 WeakPolarHBondContact O-CA 3.23Å; L27-G32 PolarHBondContact O-N 2.95Å; L27-E34 HydrophobicContact CD2-CB 4.24Å; L27-E34 HydrophobicContact CD2-CG 3.83Å; L27-C37 HydrophobicContact CD2-CB 4.47Å; L27-C37 PolarHBondContact N-SG 3.37Å; L27-C37 VanDerWaalsContact N-SG 3.45Å; L27-Y60 HydrophobicContact CB-CE1 4.11Å; L27-Y60 HydrophobicContact CB-CE2 3.94Å; L27-Y60 WeakPolarHBondContact CB-OH 3.19Å; L27-Y60 HydrophobicContact CD1-CD1 3.8Å; L27-Y60 HydrophobicContact CD1-CD2 3.98Å; L27-Y60 HydrophobicContact CD1-CE1 3.67Å; L27-Y60 HydrophobicContact CD1-CE2 3.86Å; L27-Y60 HydrophobicContact CD1-CG 3.97Å; L27-Y60 HydrophobicContact CD2-CE1 4.14Å; L27-Y60 HydrophobicContact CG-CE1 4.21Å
28D89Confident90.7Very high122 Ų12260.7 Ų60.765%0.65232%0.322SS*.Hα-helixtrans-58.7-49.1177.8-167.3-113.3000111.2W24 S25 C26 N30 N31W24-D28 WeakPolarHBondContact O-CB 3.35Å; W24-D28 PolarHBondContact O-N 3.11Å; S25-D28 PolarHBondContact O-N 3.15Å; C26-D28 PolarHBondContact O-N 3.43Å; D28-N30 PolarHBondContact O-N 3.32Å; D28-N30 VanDerWaalsContact O-N 3.17Å; D28-N31 PolarHBondContact O-N 3.42Å
29D92.7Very high90.8Very high136 Ų13665.5 Ų65.573%0.72734%0.338SS*.Hα-helixtrans-58.8-28.4174.4-175.4-105000112.9S25 C26S25-D29 WeakPolarHBondContact O-CB 3.44Å; S25-D29 PolarHBondContact O-N 3.23Å; S25-D29 VanDerWaalsContact O-N 3.13Å; C26-D29 PolarHBondContact O-N 2.97Å
30N92Very high90.8Very high33 Ų3368 Ų6818%0.17635%0.349CS..THydrogen-bonded Turntrans-107.122.1-177.2-70.5-83000113.8C26 L27 D28 G32 D33 K36C26-N30 VanDerWaalsContact O-CB 3.31Å; C26-N30 WeakPolarHBondContact O-CB 3.4Å; C26-N30 PolarHBondContact O-N 3.46Å; C26-N30 PolarHBondContact O-ND2 3.07Å; L27-N30 CarbonylContact O-C 3.25Å; L27-N30 VanDerWaalsContact O-C 3.25Å; L27-N30 WeakPolarHBondContact O-CA 3.48Å; L27-N30 PolarHBondContact O-N 3.44Å; D28-N30 PolarHBondContact O-N 3.32Å; D28-N30 VanDerWaalsContact O-N 3.17Å; N30-G32 PolarHBondContact O-N 3.01Å; N30-G32 VanDerWaalsContact O-N 3.15Å; N30-D33 HydrophobicContact CB-CB 4.21Å; N30-D33 VanDerWaalsContact O-CB 3.23Å; N30-D33 WeakPolarHBondContact O-CB 3.25Å; N30-D33 PolarHBondContact O-N 3.2Å; N30-K36 HydrophobicContact CB-CB 4.37Å; N30-K36 HydrophobicContact CB-CD 4.02Å; N30-K36 WeakPolarHBondContact OD1-CD 3.28Å; N30-K36 PolarHBondContact OD1-NZ 3.31Å
31N85.5Confident90.8Very high122 Ų12271 Ų7165%0.65236%0.36SS*.THydrogen-bonded Turntrans55.331.1178.3-152.894.3000113.9L27 D28L27-N31 PolarHBondContact O-N 3.32Å; D28-N31 PolarHBondContact O-N 3.42Å
32G83.9Confident90.8Very high17 Ų1769.7 Ų69.718%0.17536%0.362CS..THydrogen-bonded Turntrans79.916.1-175.800000116.1L27 N30 E34 Y60L27-G32 WeakPolarHBondContact O-CA 3.23Å; L27-G32 PolarHBondContact O-N 2.95Å; N30-G32 PolarHBondContact O-N 3.01Å; N30-G32 VanDerWaalsContact O-N 3.15Å; G32-E34 PolarHBondContact O-N 2.88Å; G32-E34 VanDerWaalsContact O-N 3.11Å; G32-Y60 WeakPolarHBondContact CA-OH 3.4Å
33D87.7Confident90.8Very high59 Ų5968.7 Ų68.732%0.31636%0.359SS..  trans-75.3100.1176.1-163.5-47.3000112.1N30 T35 K36N30-D33 HydrophobicContact CB-CB 4.21Å; N30-D33 VanDerWaalsContact O-CB 3.23Å; N30-D33 WeakPolarHBondContact O-CB 3.25Å; N30-D33 PolarHBondContact O-N 3.2Å; D33-T35 PolarHBondContact O-N 3.34Å; D33-T35 WeakPolarHBondContact OD1-CA 3.32Å; D33-T35 WeakPolarHBondContact OD1-CB 3.21Å; D33-T35 PolarHBondContact OD1-N 2.79Å; D33-T35 PolarHBondContact OD1-OG1 2.6Å; D33-K36 HydrophobicContact CB-CD 4.37Å; D33-K36 HydrophobicContact CB-CG 4.4Å; D33-K36 PolarHBondContact O-N 2.81Å; D33-K36 PolarHBondContact OD1-N 2.8Å
34E86.8Confident90.8Very high43 Ų4368.7 Ų68.720%0.20136%0.359CS..THydrogen-bonded Turntrans-64.9-20.6177.9-51.7178.192.700113.1Y23 L27 G32 C37 R41 R61Y23-E34 WeakPolarHBondContact OH-CB 3.37Å; Y23-E34 WeakPolarHBondContact OH-CG 3.5Å; Y23-E34 PolarHBondContact OH-OE1 2.75Å; L27-E34 HydrophobicContact CD2-CB 4.24Å; L27-E34 HydrophobicContact CD2-CG 3.83Å; G32-E34 PolarHBondContact O-N 2.88Å; G32-E34 VanDerWaalsContact O-N 3.11Å; E34-C37 PolarHBondContact O-N 2.55Å; E34-R41 IonicContact OE1-CZ 3.73Å; E34-R41 IonicContact OE1-NH1 3.46Å; E34-R41 PolarHBondContact OE1-NH1 3.2Å; E34-R41 IonicContact OE1-NH2 2.9Å; E34-R61 IonicContact OE1-CZ 2.8Å; E34-R61 IonicContact OE1-NH1 3.09Å; E34-R61 IonicContact OE1-NH2 3.13Å; E34-R61 PolarHBondContact OE1-NH2 2.85Å; E34-R61 IonicContact OE2-CZ 2.74Å; E34-R61 IonicContact OE2-NH1 2.71Å; E34-R61 PolarHBondContact OE2-NH1 3.38Å; E34-R61 IonicContact OE2-NH2 3.2Å; E34-R61 PolarHBondContact OE2-NH2 3.44Å
35T89.7Confident90.8Very high88 Ų8870.2 Ų70.254%0.5437%0.371SS..THydrogen-bonded Turntrans-76.9-26.7-175.977.60000112.6D33 K38D33-T35 PolarHBondContact O-N 3.34Å; D33-T35 WeakPolarHBondContact OD1-CA 3.32Å; D33-T35 WeakPolarHBondContact OD1-CB 3.21Å; D33-T35 PolarHBondContact OD1-N 2.79Å; D33-T35 PolarHBondContact OD1-OG1 2.6Å; T35-K38 WeakPolarHBondContact O-CD 3.35Å; T35-K38 WeakPolarHBondContact O-CE 3.47Å; T35-K38 VanDerWaalsContact O-CG 3.3Å; T35-K38 WeakPolarHBondContact O-CG 3.47Å
36K91.6Very high90.8Very high127 Ų12771.5 Ų71.555%0.55238%0.381SS*.THydrogen-bonded Turntrans-79.5-27.5173.7-64.5-176.3-178.8175.60112.3N30 D33N30-K36 HydrophobicContact CB-CB 4.37Å; N30-K36 HydrophobicContact CB-CD 4.02Å; N30-K36 WeakPolarHBondContact OD1-CD 3.28Å; N30-K36 PolarHBondContact OD1-NZ 3.31Å; D33-K36 HydrophobicContact CB-CD 4.37Å; D33-K36 HydrophobicContact CB-CG 4.4Å; D33-K36 PolarHBondContact O-N 2.81Å; D33-K36 PolarHBondContact OD1-N 2.8Å
37C92.8Very high90.6Very high0 Ų071.8 Ų71.80%038%0.383CS..THydrogen-bonded Turntrans-10029.6-176.9-54.80000113.5Y23 C26 L27 E34 E39 Q40 R41Y23-C37 HydrophobicContact CD2-CB 3.87Å; Y23-C37 HydrophobicContact CE2-CB 3.71Å; C26-C37 HydrophobicContact CB-CB 3.8Å; C26-C37 WeakPolarHBondContact CB-SG 3.33Å; C26-C37 PolarHBondContact O-SG 3.13Å; C26-C37 VanDerWaalsContact SG-CA 3.5Å; C26-C37 WeakPolarHBondContact SG-CB 3.5Å; C26-C37 CovalentContact SG-SG 2.03Å; C26-C37 PolarHBondContact SG-SG 3.36Å; L27-C37 HydrophobicContact CD2-CB 4.47Å; L27-C37 PolarHBondContact N-SG 3.37Å; L27-C37 VanDerWaalsContact N-SG 3.45Å; E34-C37 PolarHBondContact O-N 2.55Å; C37-E39 VanDerWaalsContact C-N 3.31Å; C37-E39 PolarHBondContact O-N 2.81Å; C37-Q40 PolarHBondContact O-N 2.97Å; C37-R41 WeakPolarHBondContact O-CB 3.02Å; C37-R41 PolarHBondContact O-N 3.35Å
38K92.3Very high90.6Very high137 Ų13772.2 Ų72.260%0.59639%0.386SS*.Hα-helixtrans-62.3-35.7-176.6-77.3172.4-174.9174.80113.1T35 R41 A42T35-K38 WeakPolarHBondContact O-CD 3.35Å; T35-K38 WeakPolarHBondContact O-CE 3.47Å; T35-K38 VanDerWaalsContact O-CG 3.3Å; T35-K38 WeakPolarHBondContact O-CG 3.47Å; K38-R41 WeakPolarHBondContact O-CB 3.48Å; K38-R41 PolarHBondContact O-N 3.4Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.19Å
39E93.3Very high90.6Very high165 Ų16573 Ų7377%0.77138%0.38SS*.Hα-helixtrans-66.1-49.3179.9-63.3-176.789.900110.9C37 R41 A42 E43C37-E39 VanDerWaalsContact C-N 3.31Å; C37-E39 PolarHBondContact O-N 2.81Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 2.81Å; E39-A42 WeakPolarHBondContact O-CB 3.31Å; E39-A42 PolarHBondContact O-N 2.89Å; E39-A42 VanDerWaalsContact O-N 3.17Å; E39-E43 PolarHBondContact O-N 2.83Å
40Q92.3Very high90.4Very high56 Ų5676.2 Ų76.226%0.26238%0.382SS..Hα-helixtrans-64.4-36.9175.3-63.187.2-34.200110.8K22 Y23 C26 C37 E43 F44K22-Q40 HydrophobicContact CB-CG 4.44Å; Y23-Q40 HydrophobicContact CD2-CB 4.06Å; C26-Q40 HydrophobicContact CB-CG 4.39Å; C26-Q40 PolarHBondContact SG-NE2 2.96Å; C26-Q40 VanDerWaalsContact SG-NE2 3.37Å; C37-Q40 PolarHBondContact O-N 2.97Å; Q40-E43 PolarHBondContact O-N 3.34Å; Q40-F44 WeakPolarHBondContact O-CB 3.5Å; Q40-F44 PolarHBondContact O-N 2.82Å
41R92.4Very high90.3Very high71 Ų7180 Ų8027%0.26841%0.406SS..Hα-helixtrans-60.9-44.7173.1-171.1-178.4-176.7104.1-0.7111Y23 E34 C37 K38 E39 F44 V45 D57Y23-R41 HydrophobicContact CD2-CB 4.08Å; Y23-R41 HydrophobicContact CE2-CB 3.7Å; Y23-R41 HydrophobicContact CE2-CG 4.24Å; Y23-R41 PolarHBondContact OH-NH1 3.16Å; E34-R41 IonicContact OE1-CZ 3.73Å; E34-R41 IonicContact OE1-NH1 3.46Å; E34-R41 PolarHBondContact OE1-NH1 3.2Å; E34-R41 IonicContact OE1-NH2 2.9Å; C37-R41 WeakPolarHBondContact O-CB 3.02Å; C37-R41 PolarHBondContact O-N 3.35Å; K38-R41 WeakPolarHBondContact O-CB 3.48Å; K38-R41 PolarHBondContact O-N 3.4Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 2.81Å; R41-F44 PolarHBondContact O-N 3.48Å; R41-V45 HydrophobicContact CG-CG2 4.16Å; R41-V45 WeakPolarHBondContact O-CB 3.4Å; R41-V45 WeakPolarHBondContact O-CG2 3.01Å; R41-V45 PolarHBondContact O-N 2.03Å; R41-D57 IonicContact CZ-OD2 3.7Å; R41-D57 IonicContact NH1-OD2 2.6Å; R41-D57 PolarHBondContact NH1-OD2 2.98Å; R41-D57 IonicContact NH2-OD2 3.99Å; R41-D57 PolarHBondContact NH2-OD2 3.1Å
42A92.9Very high90.6Very high61 Ų6178.3 Ų78.350%0.50439%0.39SS..Hα-helixtrans-63.4-44.1177.800000111.5K38 E39 F44 V45 S46K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.19Å; E39-A42 WeakPolarHBondContact O-CB 3.31Å; E39-A42 PolarHBondContact O-N 2.89Å; E39-A42 VanDerWaalsContact O-N 3.17Å; A42-F44 VanDerWaalsContact C-N 3.33Å; A42-F44 PolarHBondContact O-N 3.03Å; A42-V45 PolarHBondContact O-N 3.45Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.37Å
43E92Very high90.9Very high77 Ų7778.2 Ų78.236%0.3639%0.386SS..Hα-helixtrans-60.9-43.4175.1-168.4-17490.300111.3S19 K22 E39 Q40 S46 S47S19-E43 WeakPolarHBondContact OG-CG 3.02Å; S19-E43 PolarHBondContact OG-OE1 3.45Å; K22-E43 IonicContact NZ-OE1 2.75Å; K22-E43 PolarHBondContact NZ-OE1 3.5Å; K22-E43 IonicContact NZ-OE2 3.94Å; K22-E43 PolarHBondContact NZ-OE2 2.71Å; E39-E43 PolarHBondContact O-N 2.83Å; Q40-E43 PolarHBondContact O-N 3.34Å; E43-S46 PolarHBondContact O-N 3.19Å; E43-S47 WeakPolarHBondContact O-CB 3.43Å; E43-S47 PolarHBondContact O-N 3.14Å; E43-S47 PolarHBondContact O-OG 3.37Å
44F92.3Very high91.1Very high3 Ų379.9 Ų79.91%0.01339%0.392CS..Hα-helixtrans-63.7-48.3177.8171.7-118.2000112.2R20 Y23 Q40 R41 A42 S46 S47 C48 V53 F56R20-F44 HydrophobicContact CB-CD2 3.82Å; R20-F44 HydrophobicContact CB-CE2 3.6Å; R20-F44 HydrophobicContact CG-CE2 3.96Å; R20-F44 HydrophobicContact CG-CZ 4.42Å; Y23-F44 HydrophobicContact CD1-CD1 4.12Å; Q40-F44 WeakPolarHBondContact O-CB 3.5Å; Q40-F44 PolarHBondContact O-N 2.82Å; R41-F44 PolarHBondContact O-N 3.48Å; A42-F44 VanDerWaalsContact C-N 3.33Å; A42-F44 PolarHBondContact O-N 3.03Å; F44-S46 VanDerWaalsContact C-N 3.28Å; F44-S46 PolarHBondContact O-N 3.33Å; F44-S47 PolarHBondContact O-N 2.8Å; F44-C48 HydrophobicContact CD2-CB 4.38Å; F44-C48 WeakPolarHBondContact CD2-SG 3.3Å; F44-C48 HydrophobicContact CE2-CB 4.17Å; F44-C48 WeakPolarHBondContact CE2-SG 3.33Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.32Å; F44-C48 PolarHBondContact O-SG 3.08Å; F44-C48 VanDerWaalsContact O-SG 3.39Å; F44-V53 HydrophobicContact CD1-CG1 4.32Å; F44-V53 HydrophobicContact CE1-CB 4.11Å; F44-V53 HydrophobicContact CE1-CG1 3.82Å; F44-V53 HydrophobicContact CE1-CG2 4.18Å; F44-V53 HydrophobicContact CZ-CB 4.35Å; F44-V53 HydrophobicContact CZ-CG2 4.28Å; F44-F56 HydrophobicContact CE1-CB 4.45Å; F44-F56 AromaticContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CZ-CB 3.77Å; F44-F56 AromaticContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CG 4.15Å
45V91.7Very high91.2Very high64 Ų6483.1 Ų83.139%0.38841%0.407SS..Hα-helixtrans-64.5-34.6178.1175.20000111.8R41 A42 V53R41-V45 HydrophobicContact CG-CG2 4.16Å; R41-V45 WeakPolarHBondContact O-CB 3.4Å; R41-V45 WeakPolarHBondContact O-CG2 3.01Å; R41-V45 PolarHBondContact O-N 2.03Å; A42-V45 PolarHBondContact O-N 3.45Å; V45-V53 HydrophobicContact CG2-CG1 3.74Å; V45-V53 HydrophobicContact CG2-CG2 4.49Å
46S91.7Very high91.3Very high106 Ų10679.4 Ų79.474%0.74138%0.384SS*.Hα-helixtrans-76.2-37.7178.1-1760000112.5A42 E43 F44A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.37Å; E43-S46 PolarHBondContact O-N 3.19Å; F44-S46 VanDerWaalsContact C-N 3.28Å; F44-S46 PolarHBondContact O-N 3.33Å
47S90.1Very high91.1Very high20 Ų2074.5 Ų74.514%0.1436%0.363CS..Hα-helixtrans-85.6-19.1-176.8-58.10000113.8K15 E43 F44K15-S47 WeakPolarHBondContact CE-OG 3.4Å; E43-S47 WeakPolarHBondContact O-CB 3.43Å; E43-S47 PolarHBondContact O-N 3.14Å; E43-S47 PolarHBondContact O-OG 3.37Å; F44-S47 PolarHBondContact O-N 2.8Å
48C89.9Confident91Very high10 Ų1082.5 Ų82.57%0.06839%0.393CS..SBendtrans-108.1147.8-179.9-66.30000112C16 F44 W52 V53C16-C48 VanDerWaalsContact C-SG 3.58Å; C16-C48 WeakPolarHBondContact CA-SG 3.49Å; C16-C48 HydrophobicContact CB-CB 3.89Å; C16-C48 WeakPolarHBondContact CB-SG 3.3Å; C16-C48 PolarHBondContact O-SG 2.85Å; C16-C48 VanDerWaalsContact O-SG 3.38Å; C16-C48 WeakPolarHBondContact SG-CB 3.48Å; C16-C48 CovalentContact SG-SG 2.01Å; C16-C48 PolarHBondContact SG-SG 3.09Å; F44-C48 HydrophobicContact CD2-CB 4.38Å; F44-C48 WeakPolarHBondContact CD2-SG 3.3Å; F44-C48 HydrophobicContact CE2-CB 4.17Å; F44-C48 WeakPolarHBondContact CE2-SG 3.33Å; F44-C48 WeakPolarHBondContact O-CB 3.35Å; F44-C48 PolarHBondContact O-N 3.32Å; F44-C48 PolarHBondContact O-SG 3.08Å; F44-C48 VanDerWaalsContact O-SG 3.39Å; C48-W52 HydrophobicContact CB-CB 4.32Å; C48-V53 HydrophobicContact CB-CG2 3.58Å
49R89.5Confident90.8Very high139 Ų13977.9 Ų77.953%0.52537%0.373SS..  trans-62.1143.6166.2-55.4-176.8177.8-153.6-3.5109.6T51 W52 V53R49-T51 PolarHBondContact O-N 2.92Å; R49-T51 VanDerWaalsContact O-N 3.08Å; R49-W52 WeakPolarHBondContact O-CA 3.46Å; R49-W52 WeakPolarHBondContact O-CB 3.49Å; R49-W52 PolarHBondContact O-N 2.87Å; R49-V53 PolarHBondContact O-N 3.03Å; R49-V53 VanDerWaalsContact O-N 3.14Å
50R89Confident90.5Very high203 Ų20371.1 Ų71.177%0.76634%0.341SS*.Hα-helixtrans-49-40.7-178.6-64.6-177.265.5156.61.3113.5W52 V53 E54R50-W52 VanDerWaalsContact C-N 3.33Å; R50-W52 PolarHBondContact O-N 3.39Å; R50-V53 WeakPolarHBondContact O-CB 3.32Å; R50-V53 PolarHBondContact O-N 2.94Å; R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.91Å
51T89.4Confident90.2Very high111 Ų11174 Ų7468%0.68135%0.349SS*.Hα-helixtrans-59.6-39.8176.5-45.60000113.1R49 H55R49-T51 PolarHBondContact O-N 2.92Å; R49-T51 VanDerWaalsContact O-N 3.08Å; T51-H55 WeakPolarHBondContact O-CB 3.48Å; T51-H55 PolarHBondContact O-N 2.99Å
52W90.7Very high90Very high88 Ų8876.5 Ų76.533%0.33336%0.363SS..Hα-helixtrans-69.6-41.8175.8-72.5112.4000111.4C48 R49 R50 H55 F56C48-W52 HydrophobicContact CB-CB 4.32Å; R49-W52 WeakPolarHBondContact O-CA 3.46Å; R49-W52 WeakPolarHBondContact O-CB 3.49Å; R49-W52 PolarHBondContact O-N 2.87Å; R50-W52 VanDerWaalsContact C-N 3.33Å; R50-W52 PolarHBondContact O-N 3.39Å; W52-H55 PolarHBondContact O-N 3.14Å; W52-F56 HydrophobicContact CB-CD2 4.33Å; W52-F56 HydrophobicContact CB-CE2 4.18Å; W52-F56 AromaticContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CZ 4.02Å; W52-F56 HydrophobicContact CZ3-CZ 4.43Å; W52-F56 WeakPolarHBondContact O-CD2 3.18Å; W52-F56 WeakPolarHBondContact O-CG 2.93Å; W52-F56 PolarHBondContact O-N 3.36Å
53V91.3Very high89.6Confident15 Ų1576 Ų769%0.09135%0.35CS..Hα-helixtrans-56.5-53176177.50000110.5F44 V45 C48 R49 R50 H55 F56 D57F44-V53 HydrophobicContact CD1-CG1 4.32Å; F44-V53 HydrophobicContact CE1-CB 4.11Å; F44-V53 HydrophobicContact CE1-CG1 3.82Å; F44-V53 HydrophobicContact CE1-CG2 4.18Å; F44-V53 HydrophobicContact CZ-CB 4.35Å; F44-V53 HydrophobicContact CZ-CG2 4.28Å; V45-V53 HydrophobicContact CG2-CG1 3.74Å; V45-V53 HydrophobicContact CG2-CG2 4.49Å; C48-V53 HydrophobicContact CB-CG2 3.58Å; R49-V53 PolarHBondContact O-N 3.03Å; R49-V53 VanDerWaalsContact O-N 3.14Å; R50-V53 WeakPolarHBondContact O-CB 3.32Å; R50-V53 PolarHBondContact O-N 2.94Å; V53-H55 VanDerWaalsContact C-N 3.33Å; V53-H55 PolarHBondContact O-N 3.38Å; V53-F56 PolarHBondContact O-N 3.37Å; V53-D57 VanDerWaalsContact O-CB 3.32Å; V53-D57 WeakPolarHBondContact O-CB 3.31Å; V53-D57 PolarHBondContact O-N 2.89Å
54E91.2Very high89.2Confident93 Ų9374.1 Ų74.144%0.43534%0.34SS..Hα-helixtrans-61.4-41.1179.6-71-177.582.900112.1R50 R58R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.91Å; E54-R58 WeakPolarHBondContact O-CB 3.24Å; E54-R58 VanDerWaalsContact O-CG 3.25Å; E54-R58 WeakPolarHBondContact O-CG 3.43Å; E54-R58 PolarHBondContact O-N 3.22Å; E54-R58 IonicContact OE1-NH2 2.8Å
55H90Very high88.8Confident111 Ų11180.4 Ų80.451%0.51437%0.365SS..Hα-helixtrans-61.6-47.9177178.8-91.8000111.9T51 W52 V53 K59T51-H55 WeakPolarHBondContact O-CB 3.48Å; T51-H55 PolarHBondContact O-N 2.99Å; W52-H55 PolarHBondContact O-N 3.14Å; V53-H55 VanDerWaalsContact C-N 3.33Å; V53-H55 PolarHBondContact O-N 3.38Å; H55-K59 WeakPolarHBondContact O-CB 3Å; H55-K59 PolarHBondContact O-N 2.95Å
56F90.6Very high88.5Confident11 Ų1178.9 Ų78.95%0.04835%0.353CS..Hα-helixtrans-71.6-36.5-179.7-69.3-56.6000113.1W17 R20 W24 F44 W52 V53 K59 Y60W17-F56 AromaticContact NE1-CZ 3.99Å; R20-F56 VanDerWaalsContact CD-CD1 3.46Å; R20-F56 VanDerWaalsContact CD-CE1 3.49Å; R20-F56 HydrophobicContact CG-CD1 4.37Å; R20-F56 HydrophobicContact CG-CD2 4.25Å; R20-F56 HydrophobicContact CG-CG 4.15Å; W24-F56 HydrophobicContact CH2-CD1 4.15Å; W24-F56 HydrophobicContact CZ2-CB 4.22Å; W24-F56 AromaticContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CD1 3.77Å; W24-F56 HydrophobicContact CZ2-CG 4.35Å; F44-F56 HydrophobicContact CE1-CB 4.45Å; F44-F56 AromaticContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CE2-CD2 3.91Å; F44-F56 HydrophobicContact CZ-CB 3.77Å; F44-F56 AromaticContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CD2 3.7Å; F44-F56 HydrophobicContact CZ-CG 4.15Å; W52-F56 HydrophobicContact CB-CD2 4.33Å; W52-F56 HydrophobicContact CB-CE2 4.18Å; W52-F56 AromaticContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CE2 3.85Å; W52-F56 HydrophobicContact CE3-CZ 4.02Å; W52-F56 HydrophobicContact CZ3-CZ 4.43Å; W52-F56 WeakPolarHBondContact O-CD2 3.18Å; W52-F56 WeakPolarHBondContact O-CG 2.93Å; W52-F56 PolarHBondContact O-N 3.36Å; V53-F56 PolarHBondContact O-N 3.37Å; F56-K59 PolarHBondContact O-N 3.43Å; F56-Y60 WeakPolarHBondContact O-CB 3.36Å; F56-Y60 PolarHBondContact O-N 2.01Å
57D88.8Confident88Confident23 Ų2379.9 Ų79.912%0.12335%0.346CS..Hα-helixtrans-61.8-48.3174.7-178.4-78.3000110.4R41 V53 K59 Y60 R61R41-D57 IonicContact CZ-OD2 3.7Å; R41-D57 IonicContact NH1-OD2 2.6Å; R41-D57 PolarHBondContact NH1-OD2 2.98Å; R41-D57 IonicContact NH2-OD2 3.99Å; R41-D57 PolarHBondContact NH2-OD2 3.1Å; V53-D57 VanDerWaalsContact O-CB 3.32Å; V53-D57 WeakPolarHBondContact O-CB 3.31Å; V53-D57 PolarHBondContact O-N 2.89Å; D57-K59 PolarHBondContact O-N 3.46Å; D57-Y60 PolarHBondContact O-N 3.38Å; D57-R61 WeakPolarHBondContact O-CG 3.17Å; D57-R61 PolarHBondContact O-N 3.39Å; D57-R61 IonicContact OD1-CZ 3.99Å; D57-R61 IonicContact OD1-NE 2.81Å; D57-R61 PolarHBondContact OD1-NE 2.9Å; D57-R61 IonicContact OD1-NH2 3.57Å; D57-R61 PolarHBondContact OD1-NH2 2.94Å; D57-R61 IonicContact OD2-NE 3.34Å; D57-R61 IonicContact OD2-NH2 3.49Å; D57-R61 PolarHBondContact OD2-NH2 3.37Å
58R90.1Very high87.5Confident168 Ų16885.2 Ų85.263%0.63437%0.369SS*.Hα-helixtrans-60.8-44.1174.6-71.6179.3-164.9-168.97.5112.1E54 R61 F62E54-R58 WeakPolarHBondContact O-CB 3.24Å; E54-R58 VanDerWaalsContact O-CG 3.25Å; E54-R58 WeakPolarHBondContact O-CG 3.43Å; E54-R58 PolarHBondContact O-N 3.22Å; E54-R58 IonicContact OE1-NH2 2.8Å; R58-R61 PolarHBondContact O-N 2.96Å; R58-F62 WeakPolarHBondContact O-CB 3.12Å; R58-F62 PolarHBondContact O-N 3.4Å
59K88.6Confident87Confident41 Ų4190.2 Ų90.218%0.17839%0.391CS..Hα-helixtrans-58.6-48.6178-166.4-157.1177.1-98.30110.6W24 H55 F56 D57 F62 E63 P76W24-K59 HydrophobicContact CH2-CD 3.81Å; W24-K59 HydrophobicContact CZ2-CD 4.17Å; H55-K59 WeakPolarHBondContact O-CB 3Å; H55-K59 PolarHBondContact O-N 2.95Å; F56-K59 PolarHBondContact O-N 3.43Å; D57-K59 PolarHBondContact O-N 3.46Å; K59-F62 PolarHBondContact O-N 2.83Å; K59-E63 WeakPolarHBondContact CD-OE2 3.35Å; K59-E63 WeakPolarHBondContact CE-OE2 3.5Å; K59-E63 VanDerWaalsContact CG-OE2 3.26Å; K59-E63 WeakPolarHBondContact CG-OE2 3.47Å; K59-E63 IonicContact NZ-OE1 3.41Å; K59-E63 PolarHBondContact NZ-OE1 3.43Å; K59-E63 VanDerWaalsContact NZ-OE1 3.09Å; K59-E63 IonicContact NZ-OE2 2.79Å; K59-E63 PolarHBondContact NZ-OE2 3.39Å; K59-E63 WeakPolarHBondContact O-CB 3.4Å; K59-E63 VanDerWaalsContact O-CG 3.3Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.47Å; K59-P76 PolarHBondContact NZ-O 2.93Å
60Y86.8Confident86.1Confident22 Ų2286.1 Ų86.19%0.08639%0.392CS..Hα-helixtrans-62-48.3180-172-94.3000112.4W24 L27 G32 F56 D57 F62 E63 K64W24-Y60 HydrophobicContact CG-CD2 4.47Å; L27-Y60 HydrophobicContact CB-CE1 4.11Å; L27-Y60 HydrophobicContact CB-CE2 3.94Å; L27-Y60 WeakPolarHBondContact CB-OH 3.19Å; L27-Y60 HydrophobicContact CD1-CD1 3.8Å; L27-Y60 HydrophobicContact CD1-CD2 3.98Å; L27-Y60 HydrophobicContact CD1-CE1 3.67Å; L27-Y60 HydrophobicContact CD1-CE2 3.86Å; L27-Y60 HydrophobicContact CD1-CG 3.97Å; L27-Y60 HydrophobicContact CD2-CE1 4.14Å; L27-Y60 HydrophobicContact CG-CE1 4.21Å; G32-Y60 WeakPolarHBondContact CA-OH 3.4Å; F56-Y60 WeakPolarHBondContact O-CB 3.36Å; F56-Y60 PolarHBondContact O-N 2.01Å; D57-Y60 PolarHBondContact O-N 3.38Å; Y60-F62 VanDerWaalsContact C-N 3.29Å; Y60-F62 PolarHBondContact O-N 3.44Å; Y60-E63 PolarHBondContact O-N 3.17Å; Y60-K64 HydrophobicContact CD1-CG 4.36Å; Y60-K64 HydrophobicContact CE1-CG 3.72Å; Y60-K64 PolarHBondContact O-N 3Å; Y60-K64 WeakPolarHBondContact OH-CE 3.47Å
61R86.3Confident85.1Confident117 Ų11781.2 Ų81.244%0.44238%0.38SS..Hα-helixtrans-58.9-42.1175.4-69.9-177.3-164.6-72.7-14.7111.9E34 D57 R58 K64 Y65E34-R61 IonicContact OE1-CZ 2.8Å; E34-R61 IonicContact OE1-NH1 3.09Å; E34-R61 IonicContact OE1-NH2 3.13Å; E34-R61 PolarHBondContact OE1-NH2 2.85Å; E34-R61 IonicContact OE2-CZ 2.74Å; E34-R61 IonicContact OE2-NH1 2.71Å; E34-R61 PolarHBondContact OE2-NH1 3.38Å; E34-R61 IonicContact OE2-NH2 3.2Å; E34-R61 PolarHBondContact OE2-NH2 3.44Å; D57-R61 WeakPolarHBondContact O-CG 3.17Å; D57-R61 PolarHBondContact O-N 3.39Å; D57-R61 IonicContact OD1-CZ 3.99Å; D57-R61 IonicContact OD1-NE 2.81Å; D57-R61 PolarHBondContact OD1-NE 2.9Å; D57-R61 IonicContact OD1-NH2 3.57Å; D57-R61 PolarHBondContact OD1-NH2 2.94Å; D57-R61 IonicContact OD2-NE 3.34Å; D57-R61 IonicContact OD2-NH2 3.49Å; D57-R61 PolarHBondContact OD2-NH2 3.37Å; R58-R61 PolarHBondContact O-N 2.96Å; R61-K64 PolarHBondContact O-N 2.71Å; R61-Y65 VanDerWaalsContact O-CB 3.28Å; R61-Y65 WeakPolarHBondContact O-CB 2.91Å; R61-Y65 PolarHBondContact O-N 3.38Å
62F87.1Confident83.4Confident124 Ų12484.9 Ų84.954%0.54439%0.39SS..Hα-helixtrans-67-41.1178.9-175.8-112000111.7R58 K59 Y60 K66R58-F62 WeakPolarHBondContact O-CB 3.12Å; R58-F62 PolarHBondContact O-N 3.4Å; K59-F62 PolarHBondContact O-N 2.83Å; Y60-F62 VanDerWaalsContact C-N 3.29Å; Y60-F62 PolarHBondContact O-N 3.44Å; F62-K66 HydrophobicContact CD1-CD 3.62Å; F62-K66 HydrophobicContact CD1-CG 4.49Å; F62-K66 HydrophobicContact CD2-CD 4.49Å; F62-K66 HydrophobicContact CE1-CD 3.29Å; F62-K66 HydrophobicContact CE1-CG 4.3Å; F62-K66 HydrophobicContact CE2-CD 4.2Å; F62-K66 HydrophobicContact CE2-CG 4.4Å; F62-K66 HydrophobicContact CG-CD 4.23Å; F62-K66 HydrophobicContact CZ-CD 3.61Å; F62-K66 HydrophobicContact CZ-CG 4.25Å; F62-K66 WeakPolarHBondContact O-CB 3Å; F62-K66 WeakPolarHBondContact O-CG 3.16Å; F62-K66 PolarHBondContact O-N 3.34Å
63E84.3Confident81.5Confident50 Ų5088.6 Ų88.623%0.23441%0.411CS..Hα-helixtrans-61.3-47.5174.3-74.1173.1100.200111.6K59 Y60 K66 E67 P76K59-E63 WeakPolarHBondContact CD-OE2 3.35Å; K59-E63 WeakPolarHBondContact CE-OE2 3.5Å; K59-E63 VanDerWaalsContact CG-OE2 3.26Å; K59-E63 WeakPolarHBondContact CG-OE2 3.47Å; K59-E63 IonicContact NZ-OE1 3.41Å; K59-E63 PolarHBondContact NZ-OE1 3.43Å; K59-E63 VanDerWaalsContact NZ-OE1 3.09Å; K59-E63 IonicContact NZ-OE2 2.79Å; K59-E63 PolarHBondContact NZ-OE2 3.39Å; K59-E63 WeakPolarHBondContact O-CB 3.4Å; K59-E63 VanDerWaalsContact O-CG 3.3Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.47Å; Y60-E63 PolarHBondContact O-N 3.17Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.88Å; E63-E67 PolarHBondContact O-N 3.2Å; E63-P76 HydrophobicContact CG-CG 3.91Å; E63-P76 VanDerWaalsContact OE1-CG 3.23Å; E63-P76 WeakPolarHBondContact OE1-CG 3.39Å
64K83.2Confident79.5Confident38 Ų3891 Ų9117%0.16544%0.439CS..Hα-helixtrans-64-44.1176.8-78.7-70.3173.7-165.50112.9Y60 R61 K66 E67 E68Y60-K64 HydrophobicContact CD1-CG 4.36Å; Y60-K64 HydrophobicContact CE1-CG 3.72Å; Y60-K64 PolarHBondContact O-N 3Å; Y60-K64 WeakPolarHBondContact OH-CE 3.47Å; R61-K64 PolarHBondContact O-N 2.71Å; K64-K66 VanDerWaalsContact C-N 3.26Å; K64-K66 PolarHBondContact O-N 2.87Å; K64-E67 WeakPolarHBondContact CD-OE2 3.5Å; K64-E67 IonicContact NZ-OE2 3.2Å; K64-E67 PolarHBondContact NZ-OE2 3.32Å; K64-E67 PolarHBondContact O-N 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.4Å; K64-E68 PolarHBondContact O-N 3.28Å
65Y85.5Confident77.3Confident135 Ų13591.6 Ų91.653%0.52945%0.454SS..Hα-helixtrans-57.9-41.7173.8-178.8-93.9000111.6R61 H69 L71R61-Y65 VanDerWaalsContact O-CB 3.28Å; R61-Y65 WeakPolarHBondContact O-CB 2.91Å; R61-Y65 PolarHBondContact O-N 3.38Å; Y65-H69 AromaticContact CD2-CD2 3.42Å; Y65-H69 VanDerWaalsContact CD2-CD2 3.42Å; Y65-H69 WeakPolarHBondContact CD2-CD2 3.5Å; Y65-H69 AromaticContact CD2-NE2 3.71Å; Y65-H69 AromaticContact CE1-CD2 3.83Å; Y65-H69 AromaticContact CE2-CD2 3.16Å; Y65-H69 WeakPolarHBondContact CE2-CD2 3.23Å; Y65-H69 AromaticContact CE2-NE2 3.22Å; Y65-H69 WeakPolarHBondContact CE2-NE2 3.19Å; Y65-H69 AromaticContact CG-CD2 3.85Å; Y65-H69 AromaticContact CZ-CD2 3.38Å; Y65-H69 AromaticContact CZ-NE2 3.74Å; Y65-H69 WeakPolarHBondContact O-CB 3.18Å; Y65-H69 PolarHBondContact O-CD2 3.46Å; Y65-H69 PolarHBondContact O-N 3.28Å; Y65-L71 HydrophobicContact CE1-CD1 4.47Å
66K84Confident75.3Confident32 Ų3289 Ų8914%0.13945%0.446CS..Hα-helixtrans-67.9-38.6177.7-75.3172.454.4-176.50113.3F62 E63 K64 H69 G70 L71 Q73F62-K66 HydrophobicContact CD1-CD 3.62Å; F62-K66 HydrophobicContact CD1-CG 4.49Å; F62-K66 HydrophobicContact CD2-CD 4.49Å; F62-K66 HydrophobicContact CE1-CD 3.29Å; F62-K66 HydrophobicContact CE1-CG 4.3Å; F62-K66 HydrophobicContact CE2-CD 4.2Å; F62-K66 HydrophobicContact CE2-CG 4.4Å; F62-K66 HydrophobicContact CG-CD 4.23Å; F62-K66 HydrophobicContact CZ-CD 3.61Å; F62-K66 HydrophobicContact CZ-CG 4.25Å; F62-K66 WeakPolarHBondContact O-CB 3Å; F62-K66 WeakPolarHBondContact O-CG 3.16Å; F62-K66 PolarHBondContact O-N 3.34Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.88Å; K64-K66 VanDerWaalsContact C-N 3.26Å; K64-K66 PolarHBondContact O-N 2.87Å; K66-H69 PolarHBondContact O-N 3.22Å; K66-G70 PolarHBondContact O-N 2.9Å; K66-L71 HydrophobicContact CB-CB 4.3Å; K66-L71 WeakPolarHBondContact CE-O 3.09Å; K66-L71 HydrophobicContact CG-CB 4.03Å; K66-L71 PolarHBondContact O-N 2.91Å; K66-L71 VanDerWaalsContact O-N 3.11Å; K66-Q73 PolarHBondContact NZ-O 2.83Å
67E82.2Confident73.1Confident126 Ų12692.7 Ų92.759%0.58947%0.47SS*.Hα-helixtrans-60.3-49.5175.7-180170.5-98.700110.6E63 K64 H69E63-E67 PolarHBondContact O-N 3.2Å; K64-E67 WeakPolarHBondContact CD-OE2 3.5Å; K64-E67 IonicContact NZ-OE2 3.2Å; K64-E67 PolarHBondContact NZ-OE2 3.32Å; K64-E67 PolarHBondContact O-N 3.47Å; E67-H69 PolarHBondContact O-N 2.96Å
68E79.4Confident71.1Confident133 Ų13395.6 Ų95.662%0.62149%0.49SS*.Hα-helixtrans-64.3-38178.1-67.2-65.1137.400112.9K64K64-E68 WeakPolarHBondContact O-CG 3.4Å; K64-E68 PolarHBondContact O-N 3.28Å
69H80Confident69Low114 Ų11490.1 Ų90.153%0.52848%0.476SS..THydrogen-bonded Turntrans-98.57.3-175.6-67.8-71000114.5Y65 K66 E67 L71Y65-H69 AromaticContact CD2-CD2 3.42Å; Y65-H69 VanDerWaalsContact CD2-CD2 3.42Å; Y65-H69 WeakPolarHBondContact CD2-CD2 3.5Å; Y65-H69 AromaticContact CD2-NE2 3.71Å; Y65-H69 AromaticContact CE1-CD2 3.83Å; Y65-H69 AromaticContact CE2-CD2 3.16Å; Y65-H69 WeakPolarHBondContact CE2-CD2 3.23Å; Y65-H69 AromaticContact CE2-NE2 3.22Å; Y65-H69 WeakPolarHBondContact CE2-NE2 3.19Å; Y65-H69 AromaticContact CG-CD2 3.85Å; Y65-H69 AromaticContact CZ-CD2 3.38Å; Y65-H69 AromaticContact CZ-NE2 3.74Å; Y65-H69 WeakPolarHBondContact O-CB 3.18Å; Y65-H69 PolarHBondContact O-CD2 3.46Å; Y65-H69 PolarHBondContact O-N 3.28Å; K66-H69 PolarHBondContact O-N 3.22Å; E67-H69 PolarHBondContact O-N 2.96Å; H69-L71 HydrophobicContact CB-CD1 3.6Å; H69-L71 PolarHBondContact O-N 2.87Å
70G70.2Confident66.8Low54 Ų5496.6 Ų96.656%0.55750%0.504SS*.THydrogen-bonded Turntrans63.922174.500000115.3K66 Q72K66-G70 PolarHBondContact O-N 2.9Å; G70-Q72 VanDerWaalsContact C-N 3.3Å; G70-Q72 PolarHBondContact O-N 2.82Å
71L67Low64.6Low99 Ų99100.6 Ų100.652%0.51853%0.531SS..  trans-74.786176.2-77.9101.7000109.7Y65 K66 H69 Q73Y65-L71 HydrophobicContact CE1-CD1 4.47Å; K66-L71 HydrophobicContact CB-CB 4.3Å; K66-L71 WeakPolarHBondContact CE-O 3.09Å; K66-L71 HydrophobicContact CG-CB 4.03Å; K66-L71 PolarHBondContact O-N 2.91Å; K66-L71 VanDerWaalsContact O-N 3.11Å; H69-L71 HydrophobicContact CB-CD1 3.6Å; H69-L71 PolarHBondContact O-N 2.87Å; L71-Q73 PolarHBondContact O-N 2.8Å
72Q55.2Low62.7Low189 Ų18998.9 Ų98.988%0.88353%0.531SS*.  trans-64.489172.1-65.3-166.174.200110.8G70G70-Q72 VanDerWaalsContact C-N 3.3Å; G70-Q72 PolarHBondContact O-N 2.82Å
73Q50.1Low60.5Low165 Ų16596.7 Ų96.777%0.77153%0.531SS*.  trans-138.4115.3151.1-73.6-156.4-11.200109.9K66 L71K66-Q73 PolarHBondContact NZ-O 2.83Å; L71-Q73 PolarHBondContact O-N 2.8Å
74G49.4Very low58.7Low66 Ų66104.7 Ų104.768%0.6857%0.568SS**  trans46.4106.7157.800000116.7P76G74-P76 WeakPolarHBondContact O-CD 3.47Å; G74-P76 VanDerWaalsContact O-N 3.1Å
75S45.1Very low57.5Low106 Ų106108.1 Ų108.174%0.74159%0.588SS**  trans-39.9111159.849.60000111.6T77S75-T77 PolarHBondContact O-N 3.44Å
76P48.5Very low56Low55 Ų55106.6 Ų106.636%0.35759%0.591SS.*  trans-83.983164.431.1-21.6000105.7K59 E63 G74K59-P76 PolarHBondContact NZ-O 2.93Å; E63-P76 HydrophobicContact CG-CG 3.91Å; E63-P76 VanDerWaalsContact OE1-CG 3.23Å; E63-P76 WeakPolarHBondContact OE1-CG 3.39Å; G74-P76 WeakPolarHBondContact O-CD 3.47Å; G74-P76 VanDerWaalsContact O-N 3.1Å
77T42.8Very low54.5Low89 Ų89110.8 Ų110.855%0.54662%0.616SS.*  trans-30.8139.4169.945.90000111.3S75 P79S75-T77 PolarHBondContact O-N 3.44Å; T77-P79 VanDerWaalsContact O-N 3.17Å
78P47.6Very low52.8Low84 Ų84109.9 Ų109.955%0.54562%0.618SS.*  trans-50.8130.5167.424.8-32.9000106.6K80P78-K80 PolarHBondContact O-N 3.18Å
79P45.1Very low51.2Low53 Ų53108.4 Ų108.434%0.34462%0.618SS.*  trans-56.3114.7-174.720.1-29.2000107T77 T81T77-P79 VanDerWaalsContact O-N 3.17Å; P79-T81 PolarHBondContact O-N 3.34Å
80K42.4Very low49.3Very low177 Ų177108.1 Ų108.177%0.7762%0.624SS**  trans-47.3114.8167.2-76.5173.6175.3-78.30106P78 L82P78-K80 PolarHBondContact O-N 3.18Å; K80-L82 PolarHBondContact O-N 3.46Å
81T40.9Very low47.8Very low106 Ų106111.9 Ų111.965%0.6563%0.629SS**  trans21.1100.2140.999.50000112.5P79 S83P79-T81 PolarHBondContact O-N 3.34Å; T81-S83 PolarHBondContact O-N 3.05Å; T81-S83 PolarHBondContact OG1-OG 3.13Å
82L46.7Very low46.3Very low82 Ų82112.9 Ų112.943%0.42964%0.637SS.*  trans-78.880.7150.7-166.267.1000105.1L10 W17 K80L10-L82 HydrophobicContact CD2-CD2 4.39Å; W17-L82 HydrophobicContact CH2-CB 3.82Å; W17-L82 HydrophobicContact CH2-CD2 4.35Å; W17-L82 HydrophobicContact CZ3-CB 3.44Å; W17-L82 VanDerWaalsContact CZ3-CB 3.44Å; K80-L82 PolarHBondContact O-N 3.46Å
83S41.6Very low45.5Very low78 Ų78106.6 Ų106.655%0.54562%0.617SS.*  trans-61.8148155.2-55.20000107.8T81T81-S83 PolarHBondContact O-N 3.05Å; T81-S83 PolarHBondContact OG1-OG 3.13Å
84E46.2Very low45.1Very low218 Ų218101.3 Ų101.3100%1.01960%0.603SS**  trans78.30-169.2-72.5153.46900114.4K14K14-E84 PolarHBondContact NZ-OXT 3.16Å

Retrieved 84 of 84 residues in 212.1 ms (Link to these results)