A0A060YZ64_ONCMY Loading...

Cyclin-dependent kinase 4 inhibitor D

Interacts strongly with CDK4 and CDK6 and inhibits them.

AlphaFold DB , UniProt , Accession A0A060YZ64, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110485641, Length 178 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
1M43.8Very low75.1Confident230 Ų23092.6 Ų92.6100%1.13350%0.503SS*.  0108.70-162.8170.7118.600106.7L3M1-L3 PolarHBondContact O-N 3.42Å
2V53Low76.8Confident146 Ų14684.9 Ų84.989%0.88546%0.461SS*.PPolyproline II helixtrans-76.4119.1179.7-177.10000106.5S4V2-S4 PolarHBondContact O-N 3.3Å
3L59.8Low78.3Confident85 Ų8578.9 Ų78.945%0.44543%0.429SS..PPolyproline II helixtrans-60.9134.4173.9-68.7171.5000108.2M1 D7 A8M1-L3 PolarHBondContact O-N 3.42Å; L3-D7 HydrophobicContact CD2-CB 4.43Å; L3-A8 HydrophobicContact CB-CB 4.34Å
4S74.8Confident79.6Confident56 Ų5676.1 Ų76.139%0.39242%0.422SS..PPolyproline II helixtrans-60151.5170.180.70000108.7V2 S6 D7 A8V2-S4 PolarHBondContact O-N 3.3Å; S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 VanDerWaalsContact O-N 3.13Å; S4-D7 WeakPolarHBondContact CB-OD2 3.29Å; S4-D7 PolarHBondContact O-N 3.23Å; S4-D7 PolarHBondContact OG-N 3.2Å; S4-D7 VanDerWaalsContact OG-N 3.16Å; S4-D7 PolarHBondContact OG-OD2 2.98Å; S4-A8 PolarHBondContact O-N 3.47Å
5Q67.1Low80.8Confident169 Ų16971.5 Ų71.579%0.7940%0.397SS*.Hα-helixtrans-56.6-32.7178.9-69.5-166.330.800112.1A9Q5-A9 WeakPolarHBondContact O-CB 3.5Å; Q5-A9 PolarHBondContact O-N 3.29Å
6S74.8Confident81.8Confident76 Ų7667 Ų6753%0.53137%0.373SS..Hα-helixtrans-66.7-42.6176.1-172.80000112.4S4 A9 K10S4-S6 PolarHBondContact O-N 3.49Å; S4-S6 VanDerWaalsContact O-N 3.13Å; S6-A9 PolarHBondContact O-N 2.92Å; S6-K10 WeakPolarHBondContact O-CB 3.32Å; S6-K10 PolarHBondContact O-N 3.43Å
7D85.9Confident82.6Confident78 Ų7865.6 Ų65.642%0.41737%0.372SS..Hα-helixtrans-70.2-38.2177.7-64.6-49.5000112L3 S4 S11L3-D7 HydrophobicContact CD2-CB 4.43Å; S4-D7 WeakPolarHBondContact CB-OD2 3.29Å; S4-D7 PolarHBondContact O-N 3.23Å; S4-D7 PolarHBondContact OG-N 3.2Å; S4-D7 VanDerWaalsContact OG-N 3.16Å; S4-D7 PolarHBondContact OG-OD2 2.98Å; D7-S11 VanDerWaalsContact O-CB 3.32Å; D7-S11 WeakPolarHBondContact O-CB 3.36Å; D7-S11 PolarHBondContact O-N 3.38Å; D7-S11 PolarHBondContact O-OG 3.23Å
8A87.8Confident83.4Confident10 Ų1070.9 Ų70.98%0.08339%0.39CS..Hα-helixtrans-62.9-45.5174.500000111.4L3 S4 S11 L12 V34L3-A8 HydrophobicContact CB-CB 4.34Å; S4-A8 PolarHBondContact O-N 3.47Å; A8-S11 PolarHBondContact O-N 3.04Å; A8-L12 WeakPolarHBondContact O-CB 3.34Å; A8-L12 PolarHBondContact O-N 3.18Å; A8-V34 HydrophobicContact CB-CG1 4.28Å; A8-V34 HydrophobicContact CB-CG2 4.01Å
9A90.4Very high84Confident0 Ų067.9 Ų67.90%038%0.377CS..Hα-helixtrans-64.5-43.1177.700000112.7Q5 S6 S11 L12 T13 T38 V39Q5-A9 WeakPolarHBondContact O-CB 3.5Å; Q5-A9 PolarHBondContact O-N 3.29Å; S6-A9 PolarHBondContact O-N 2.92Å; A9-S11 VanDerWaalsContact C-N 3.3Å; A9-S11 PolarHBondContact O-N 3.47Å; A9-L12 PolarHBondContact O-N 2.9Å; A9-T13 WeakPolarHBondContact O-CB 3.41Å; A9-T13 VanDerWaalsContact O-CG2 3.31Å; A9-T13 WeakPolarHBondContact O-CG2 3.48Å; A9-T13 PolarHBondContact O-N 3.39Å; A9-T13 PolarHBondContact O-OG1 2.97Å; A9-T38 HydrophobicContact CB-CG2 3.56Å; A9-T38 WeakPolarHBondContact CB-OG1 3.43Å; A9-V39 WeakPolarHBondContact CB-O 3.45Å
10K93.6Very high84.6Confident121 Ų12168.1 Ų68.153%0.52638%0.377SS..Hα-helixtrans-60.3-41.5174.2-175.6-179.8177.8-178.20111.6S6 T13 A14S6-K10 WeakPolarHBondContact O-CB 3.32Å; S6-K10 PolarHBondContact O-N 3.43Å; K10-T13 PolarHBondContact O-OG1 3.31Å; K10-T13 VanDerWaalsContact O-OG1 3.11Å; K10-A14 WeakPolarHBondContact O-CB 3.48Å; K10-A14 PolarHBondContact O-N 3.14Å
11S94.9Very high85.1Confident48 Ų4866.2 Ų66.234%0.33637%0.368SS..Hα-helixtrans-69.3-44-179.6-570000111.7D7 A8 A9 A14 A15D7-S11 VanDerWaalsContact O-CB 3.32Å; D7-S11 WeakPolarHBondContact O-CB 3.36Å; D7-S11 PolarHBondContact O-N 3.38Å; D7-S11 PolarHBondContact O-OG 3.23Å; A8-S11 PolarHBondContact O-N 3.04Å; A9-S11 VanDerWaalsContact C-N 3.3Å; A9-S11 PolarHBondContact O-N 3.47Å; S11-A14 PolarHBondContact O-N 2.64Å; S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.47Å
12L96.3Very high87.6Confident0 Ų061.1 Ų61.10%035%0.345CS..Hα-helixtrans-62.1-49.9177-177.165.4000112A8 A9 A14 A15 A16 V24 M27 L28 V34 T38 A46A8-L12 WeakPolarHBondContact O-CB 3.34Å; A8-L12 PolarHBondContact O-N 3.18Å; A9-L12 PolarHBondContact O-N 2.9Å; L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.44Å; L12-A15 PolarHBondContact O-N 3.19Å; L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.35Å; L12-V24 HydrophobicContact CD1-CG1 4.16Å; L12-V24 HydrophobicContact CD1-CG2 4.43Å; L12-M27 VanDerWaalsContact CA-CE 3.45Å; L12-M27 HydrophobicContact CB-CE 4.16Å; L12-M27 HydrophobicContact CB-SD 3.99Å; L12-M27 HydrophobicContact CD1-CB 4.05Å; L12-M27 HydrophobicContact CD1-CE 3.84Å; L12-M27 HydrophobicContact CD1-SD 4.35Å; L12-M27 PolarHBondContact N-SD 3.24Å; L12-L28 HydrophobicContact CD1-CD2 4.03Å; L12-L28 HydrophobicContact CD1-CG 4.28Å; L12-L28 HydrophobicContact CD2-CD2 3.92Å; L12-V34 HydrophobicContact CD2-CG1 3.92Å; L12-T38 HydrophobicContact CD2-CG2 3.99Å; L12-A46 HydrophobicContact CD2-CB 4.02Å; L12-A46 HydrophobicContact CG-CB 3.85Å
13T96.1Very high89.6Confident7 Ų757 Ų574%0.04332%0.316CS..Hα-helixtrans-62.1-38.1177.7530000112A9 K10 A17 N40 A46 V49A9-T13 WeakPolarHBondContact O-CB 3.41Å; A9-T13 VanDerWaalsContact O-CG2 3.31Å; A9-T13 WeakPolarHBondContact O-CG2 3.48Å; A9-T13 PolarHBondContact O-N 3.39Å; A9-T13 PolarHBondContact O-OG1 2.97Å; K10-T13 PolarHBondContact O-OG1 3.31Å; K10-T13 VanDerWaalsContact O-OG1 3.11Å; T13-A17 WeakPolarHBondContact O-CB 3.36Å; T13-A17 PolarHBondContact O-N 3.02Å; T13-N40 HydrophobicContact CG2-CB 3.99Å; T13-N40 PolarHBondContact OG1-ND2 2.9Å; T13-A46 HydrophobicContact CG2-CB 4.45Å; T13-V49 HydrophobicContact CG2-CG2 4.1Å; T13-V49 WeakPolarHBondContact O-CG2 3.41Å
14A96.5Very high91.4Very high40 Ų4052.9 Ų52.933%0.33130%0.295SS..Hα-helixtrans-67.7-39.1175.500000113.2K10 S11 L12 K18K10-A14 WeakPolarHBondContact O-CB 3.48Å; K10-A14 PolarHBondContact O-N 3.14Å; S11-A14 PolarHBondContact O-N 2.64Å; L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.44Å; A14-K18 VanDerWaalsContact O-CG 3.29Å; A14-K18 WeakPolarHBondContact O-CG 3.27Å; A14-K18 PolarHBondContact O-N 2.95Å
15A97.1Very high92.4Very high6 Ų655.9 Ų55.95%0.0530%0.298CS..Hα-helixtrans-65.6-43.917600000111.4S11 L12 K18 G19 N20 E23 V24 M27S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.47Å; L12-A15 PolarHBondContact O-N 3.19Å; A15-K18 PolarHBondContact O-N 3.05Å; A15-G19 PolarHBondContact O-N 2.72Å; A15-N20 HydrophobicContact CB-CB 4.49Å; A15-N20 PolarHBondContact O-N 3.16Å; A15-E23 HydrophobicContact CB-CB 4.09Å; A15-E23 HydrophobicContact CB-CG 3.85Å; A15-V24 HydrophobicContact CB-CG2 3.86Å; A15-M27 HydrophobicContact CB-CE 3.56Å
16A97.1Very high93.8Very high0 Ų052.6 Ų52.60%028%0.278CS..Hα-helixtrans-62.3-44.6176.800000112.1L12 K18 G19 V24 A46 M50 M51 V57L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 3.35Å; A16-K18 PolarHBondContact O-N 3.14Å; A16-G19 PolarHBondContact O-N 2.92Å; A16-V24 HydrophobicContact CB-CG2 4.29Å; A16-A46 HydrophobicContact CB-CB 4Å; A16-M50 HydrophobicContact CB-CB 4Å; A16-M50 WeakPolarHBondContact O-CA 3.32Å; A16-M51 PolarHBondContact O-N 3.32Å; A16-M51 VanDerWaalsContact O-N 3.11Å; A16-V57 HydrophobicContact CB-CG1 4Å
17A95.9Very high94.7Very high44 Ų4449.2 Ų49.236%0.36425%0.254SS..Hα-helixtrans-63.6-27.6177.600000113.2T13 V49T13-A17 WeakPolarHBondContact O-CB 3.36Å; T13-A17 PolarHBondContact O-N 3.02Å; A17-V49 WeakPolarHBondContact CA-O 3.34Å; A17-V49 HydrophobicContact CB-CG2 4.45Å; A17-V49 WeakPolarHBondContact CB-O 3.11Å
18K95.8Very high95.2Very high160 Ų16045.9 Ų45.970%0.69624%0.236SC*.THydrogen-bonded Turntrans-86.4-5.7174.6-69.6174.1-177.6-178.90113.6A14 A15 A16 N20A14-K18 VanDerWaalsContact O-CG 3.29Å; A14-K18 WeakPolarHBondContact O-CG 3.27Å; A14-K18 PolarHBondContact O-N 2.95Å; A15-K18 PolarHBondContact O-N 3.05Å; A16-K18 PolarHBondContact O-N 3.14Å; K18-N20 VanDerWaalsContact C-N 3.26Å; K18-N20 PolarHBondContact O-N 3.2Å
19G95Very high95.5Very high14 Ų1445.7 Ų45.714%0.14424%0.235CC..THydrogen-bonded Turntrans69.221.2-173.600000113.9A15 A16 T21 N54A15-G19 PolarHBondContact O-N 2.72Å; A16-G19 PolarHBondContact O-N 2.92Å; G19-T21 PolarHBondContact O-N 3.08Å; G19-T21 VanDerWaalsContact O-N 3.07Å; G19-N54 PolarHBondContact O-ND2 2.93Å
20N96.1Very high95.4Very high71 Ų7150.4 Ų50.438%0.3827%0.265SS..  trans-82.186.1-178.5-173.3-14.7000110.8A15 K18 D22 E23 V24A15-N20 HydrophobicContact CB-CB 4.49Å; A15-N20 PolarHBondContact O-N 3.16Å; K18-N20 VanDerWaalsContact C-N 3.26Å; K18-N20 PolarHBondContact O-N 3.2Å; N20-D22 VanDerWaalsContact C-N 3.32Å; N20-D22 PolarHBondContact O-N 2.62Å; N20-D22 PolarHBondContact OD1-N 2.88Å; N20-E23 HydrophobicContact CB-CB 4.25Å; N20-E23 VanDerWaalsContact CG-CB 3.49Å; N20-E23 WeakPolarHBondContact ND2-CB 3.28Å; N20-E23 PolarHBondContact O-N 3.1Å; N20-E23 PolarHBondContact OD1-N 3.26Å; N20-E23 VanDerWaalsContact OD1-N 3.17Å; N20-V24 WeakPolarHBondContact O-CG2 3.31Å; N20-V24 PolarHBondContact O-N 3.42Å; N20-V24 VanDerWaalsContact O-N 3.1Å
21T95.9Very high95.1Very high29 Ų2952.4 Ų52.418%0.17828%0.277CS..Hα-helixtrans-60.3-37.4-176.9-48.70000113.2G19 V24 R25 N56 L60G19-T21 PolarHBondContact O-N 3.08Å; G19-T21 VanDerWaalsContact O-N 3.07Å; T21-V24 PolarHBondContact O-N 2.73Å; T21-R25 WeakPolarHBondContact O-CB 3.31Å; T21-R25 PolarHBondContact O-N 3.03Å; T21-N56 HydrophobicContact CG2-CB 4.23Å; T21-L60 HydrophobicContact CG2-CD2 3.94Å; T21-L60 WeakPolarHBondContact O-CD2 3.35Å
22D96Very high94.8Very high124 Ų12452.4 Ų52.466%0.66328%0.276SS*.Hα-helixtrans-67.9-42.1-178-65.9-38.8000111.6N20 R25 R26N20-D22 VanDerWaalsContact C-N 3.32Å; N20-D22 PolarHBondContact O-N 2.62Å; N20-D22 PolarHBondContact OD1-N 2.88Å; D22-R25 WeakPolarHBondContact O-CB 3.43Å; D22-R25 PolarHBondContact O-N 3.24Å; D22-R26 WeakPolarHBondContact O-CB 3.31Å; D22-R26 PolarHBondContact O-N 3Å
23E95.2Very high94.6Very high58 Ų5861.9 Ų61.927%0.27131%0.312SS..Hα-helixtrans-70.6-38.7179-174.750.1-163.300111.2A15 N20 R25 R26 M27A15-E23 HydrophobicContact CB-CB 4.09Å; A15-E23 HydrophobicContact CB-CG 3.85Å; N20-E23 HydrophobicContact CB-CB 4.25Å; N20-E23 VanDerWaalsContact CG-CB 3.49Å; N20-E23 WeakPolarHBondContact ND2-CB 3.28Å; N20-E23 PolarHBondContact O-N 3.1Å; N20-E23 PolarHBondContact OD1-N 3.26Å; N20-E23 VanDerWaalsContact OD1-N 3.17Å; E23-R25 VanDerWaalsContact C-N 3.33Å; E23-R25 PolarHBondContact O-N 3.17Å; E23-R26 PolarHBondContact O-N 3.16Å; E23-R26 IonicContact OE1-CZ 3.87Å; E23-R26 IonicContact OE1-NE 2.93Å; E23-R26 IonicContact OE1-NH2 2.83Å; E23-R26 PolarHBondContact OE1-NH2 3.2Å; E23-R26 IonicContact OE2-CZ 3.94Å; E23-R26 IonicContact OE2-NE 3.29Å; E23-R26 PolarHBondContact OE2-NE 2.9Å; E23-R26 IonicContact OE2-NH2 3.52Å; E23-R26 PolarHBondContact OE2-NH2 3.37Å; E23-M27 HydrophobicContact CG-CE 3.74Å; E23-M27 VanDerWaalsContact O-CE 3.26Å; E23-M27 WeakPolarHBondContact O-CE 3.49Å; E23-M27 WeakPolarHBondContact O-CG 3.45Å; E23-M27 PolarHBondContact O-N 3.07Å
24V96.8Very high94.4Very high0 Ų062.5 Ų62.50%032%0.316CS..Hα-helixtrans-58.4-46.5169.7174.70000110.3L12 A15 A16 N20 T21 R26 M27 L28 V57 L60 L61L12-V24 HydrophobicContact CD1-CG1 4.16Å; L12-V24 HydrophobicContact CD1-CG2 4.43Å; A15-V24 HydrophobicContact CB-CG2 3.86Å; A16-V24 HydrophobicContact CB-CG2 4.29Å; N20-V24 WeakPolarHBondContact O-CG2 3.31Å; N20-V24 PolarHBondContact O-N 3.42Å; N20-V24 VanDerWaalsContact O-N 3.1Å; T21-V24 PolarHBondContact O-N 2.73Å; V24-R26 PolarHBondContact O-N 2.8Å; V24-M27 PolarHBondContact O-N 2.88Å; V24-L28 HydrophobicContact CG1-CD1 3.75Å; V24-L28 HydrophobicContact CG1-CG 4.28Å; V24-L28 WeakPolarHBondContact O-CG 3.19Å; V24-L28 PolarHBondContact O-N 3.33Å; V24-V57 HydrophobicContact CG2-CG1 4.39Å; V24-L60 HydrophobicContact CB-CD2 4.02Å; V24-L60 HydrophobicContact CG1-CD2 3.68Å; V24-L60 HydrophobicContact CG1-CG 4.22Å; V24-L61 HydrophobicContact CG1-CD2 4.11Å; V24-L61 HydrophobicContact CG1-CG 4.3Å
25R96.6Very high94.3Very high119 Ų11966.2 Ų66.245%0.44933%0.326SS..Hα-helixtrans-61.1-45179.7-175.9-178.4-60.5-75.7-3.7111.8T21 D22 E23 M27 G29 L60T21-R25 WeakPolarHBondContact O-CB 3.31Å; T21-R25 PolarHBondContact O-N 3.03Å; D22-R25 WeakPolarHBondContact O-CB 3.43Å; D22-R25 PolarHBondContact O-N 3.24Å; E23-R25 VanDerWaalsContact C-N 3.33Å; E23-R25 PolarHBondContact O-N 3.17Å; R25-M27 VanDerWaalsContact C-N 3.32Å; R25-M27 PolarHBondContact O-N 3.45Å; R25-G29 WeakPolarHBondContact O-CA 3.33Å; R25-G29 PolarHBondContact O-N 3.35Å; R25-L60 HydrophobicContact CB-CD1 4.48Å; R25-L60 HydrophobicContact CB-CD2 3.72Å; R25-L60 HydrophobicContact CG-CD1 4.48Å
26R95.6Very high94.3Very high100 Ų10066.4 Ų66.438%0.37733%0.327SS..Hα-helixtrans-60.8-42.5178.5-166.3-169.86669.73.9111.3D22 E23 V24 C32D22-R26 WeakPolarHBondContact O-CB 3.31Å; D22-R26 PolarHBondContact O-N 3Å; E23-R26 PolarHBondContact O-N 3.16Å; E23-R26 IonicContact OE1-CZ 3.87Å; E23-R26 IonicContact OE1-NE 2.93Å; E23-R26 IonicContact OE1-NH2 2.83Å; E23-R26 PolarHBondContact OE1-NH2 3.2Å; E23-R26 IonicContact OE2-CZ 3.94Å; E23-R26 IonicContact OE2-NE 3.29Å; E23-R26 PolarHBondContact OE2-NE 2.9Å; E23-R26 IonicContact OE2-NH2 3.52Å; E23-R26 PolarHBondContact OE2-NH2 3.37Å; V24-R26 PolarHBondContact O-N 2.8Å; R26-C32 PolarHBondContact NH1-SG 2.92Å
27M94.6Very high94.2Very high4 Ų468.2 Ų68.22%0.0234%0.337CS..Hα-helixtrans-70.7-40.8-179.3-78.3-174.3-74.200113.9L12 A15 E23 V24 R25 G29 C32 R33 V34L12-M27 VanDerWaalsContact CA-CE 3.45Å; L12-M27 HydrophobicContact CB-CE 4.16Å; L12-M27 HydrophobicContact CB-SD 3.99Å; L12-M27 HydrophobicContact CD1-CB 4.05Å; L12-M27 HydrophobicContact CD1-CE 3.84Å; L12-M27 HydrophobicContact CD1-SD 4.35Å; L12-M27 PolarHBondContact N-SD 3.24Å; A15-M27 HydrophobicContact CB-CE 3.56Å; E23-M27 HydrophobicContact CG-CE 3.74Å; E23-M27 VanDerWaalsContact O-CE 3.26Å; E23-M27 WeakPolarHBondContact O-CE 3.49Å; E23-M27 WeakPolarHBondContact O-CG 3.45Å; E23-M27 PolarHBondContact O-N 3.07Å; V24-M27 PolarHBondContact O-N 2.88Å; R25-M27 VanDerWaalsContact C-N 3.32Å; R25-M27 PolarHBondContact O-N 3.45Å; M27-G29 VanDerWaalsContact C-N 3.35Å; M27-C32 WeakPolarHBondContact O-CB 3.46Å; M27-R33 PolarHBondContact O-N 3.15Å; M27-V34 HydrophobicContact CB-CG2 4.25Å; M27-V34 WeakPolarHBondContact O-CB 3.42Å; M27-V34 WeakPolarHBondContact O-CG2 3.26Å; M27-V34 PolarHBondContact O-N 2.93Å
28L95.6Very high94.1Very high8 Ų867.3 Ų67.34%0.04233%0.327CS..Hα-helixtrans-77.9-25.6177.9-57.7177.3000112.3L12 V24 V34 P36 L60 L61 Y64L12-L28 HydrophobicContact CD1-CD2 4.03Å; L12-L28 HydrophobicContact CD1-CG 4.28Å; L12-L28 HydrophobicContact CD2-CD2 3.92Å; V24-L28 HydrophobicContact CG1-CD1 3.75Å; V24-L28 HydrophobicContact CG1-CG 4.28Å; V24-L28 WeakPolarHBondContact O-CG 3.19Å; V24-L28 PolarHBondContact O-N 3.33Å; L28-V34 VanDerWaalsContact CD2-O 3.3Å; L28-V34 WeakPolarHBondContact CD2-O 3.31Å; L28-P36 HydrophobicContact CD2-CB 4.02Å; L28-L60 HydrophobicContact CD1-CG 4.35Å; L28-L61 HydrophobicContact CD1-CD2 3.94Å; L28-Y64 HydrophobicContact CB-CD1 3.54Å; L28-Y64 HydrophobicContact CB-CD2 4.25Å; L28-Y64 HydrophobicContact CB-CE1 3.85Å; L28-Y64 HydrophobicContact CB-CG 3.74Å; L28-Y64 HydrophobicContact CD1-CD2 4.16Å; L28-Y64 HydrophobicContact CD1-CG 3.98Å; L28-Y64 HydrophobicContact CG-CG 4.45Å; L28-Y64 WeakPolarHBondContact O-CD1 3.5Å; L28-Y64 WeakPolarHBondContact O-CE1 3.33Å
29G93.7Very high94Very high6 Ų663.4 Ų63.46%0.06232%0.316CS..SBendtrans-62.5176-17700000114.8R25 M27 E31 C32 R33R25-G29 WeakPolarHBondContact O-CA 3.33Å; R25-G29 PolarHBondContact O-N 3.35Å; M27-G29 VanDerWaalsContact C-N 3.35Å; G29-E31 PolarHBondContact O-N 3.23Å; G29-C32 PolarHBondContact O-N 2.82Å; G29-R33 PolarHBondContact O-N 3.11Å
30P89.5Confident93.9Very high99 Ų9963.6 Ų63.664%0.64331%0.314SS*.THydrogen-bonded Turntrans-63.1-20-169.425.1-35.2000114.7R33P30-R33 WeakPolarHBondContact O-CG 3.39Å; P30-R33 PolarHBondContact O-NE 2.84Å
31E86.7Confident93.7Very high163 Ų16366.9 Ų66.976%0.76233%0.327SS*.THydrogen-bonded Turntrans-77.6-46.6-179.7-60.1-172.4136.200112.7G29G29-E31 PolarHBondContact O-N 3.23Å
32C89.1Confident93.4Very high49 Ų4972.7 Ų72.733%0.33135%0.35SS..THydrogen-bonded Turntrans-99.3-32.8-175.8-71.40000113.2R26 M27 G29 V34R26-C32 PolarHBondContact NH1-SG 2.92Å; M27-C32 WeakPolarHBondContact O-CB 3.46Å; G29-C32 PolarHBondContact O-N 2.82Å; C32-V34 HydrophobicContact CB-CG2 4.21Å; C32-V34 PolarHBondContact O-N 3.14Å; C32-V34 VanDerWaalsContact O-N 3.13Å
33R91.1Very high93.2Very high198 Ų19869 Ų6975%0.74734%0.341SS*.  trans49.537.2176.7-57.6179.9174.3-123.80.3113.9M27 G29 P30 H35M27-R33 PolarHBondContact O-N 3.15Å; G29-R33 PolarHBondContact O-N 3.11Å; P30-R33 WeakPolarHBondContact O-CG 3.39Å; P30-R33 PolarHBondContact O-NE 2.84Å; R33-H35 PolarHBondContact O-N 3.48Å
34V93.5Very high93.2Very high21 Ų2169.2 Ų69.213%0.12734%0.341CS..  trans-69128.2175.2-176.90000108.1A8 L12 M27 L28 C32 T38A8-V34 HydrophobicContact CB-CG1 4.28Å; A8-V34 HydrophobicContact CB-CG2 4.01Å; L12-V34 HydrophobicContact CD2-CG1 3.92Å; M27-V34 HydrophobicContact CB-CG2 4.25Å; M27-V34 WeakPolarHBondContact O-CB 3.42Å; M27-V34 WeakPolarHBondContact O-CG2 3.26Å; M27-V34 PolarHBondContact O-N 2.93Å; L28-V34 VanDerWaalsContact CD2-O 3.3Å; L28-V34 WeakPolarHBondContact CD2-O 3.31Å; C32-V34 HydrophobicContact CB-CG2 4.21Å; C32-V34 PolarHBondContact O-N 3.14Å; C32-V34 VanDerWaalsContact O-N 3.13Å; V34-T38 HydrophobicContact CG1-CG2 3.7Å
35H94.6Very high93.1Very high118 Ų11869.2 Ų69.255%0.54634%0.341SS..  trans-64.5131.2176.7-167.5-80.9000109.9R33 D37 T38R33-H35 PolarHBondContact O-N 3.48Å; H35-D37 VanDerWaalsContact C-N 3.28Å; H35-D37 IonicContact CE1-OD2 3.43Å; H35-D37 PolarHBondContact ND1-N 2.9Å; H35-D37 VanDerWaalsContact ND1-N 3.16Å; H35-D37 PolarHBondContact O-N 3.28Å; H35-T38 VanDerWaalsContact O-CB 3.31Å; H35-T38 WeakPolarHBondContact O-CB 3.48Å; H35-T38 VanDerWaalsContact O-CG2 3.27Å; H35-T38 WeakPolarHBondContact O-CG2 3.41Å; H35-T38 PolarHBondContact O-N 3.17Å
36P95.3Very high93.1Very high9 Ų963.6 Ų63.66%0.05832%0.32CS..THydrogen-bonded Turntrans-62.7-32.5-174.925.3-36.4000113.7L28 T38 L61 Y64 A66L28-P36 HydrophobicContact CD2-CB 4.02Å; P36-T38 VanDerWaalsContact C-N 3.27Å; P36-T38 PolarHBondContact O-N 3.15Å; P36-L61 HydrophobicContact CB-CD2 4.46Å; P36-Y64 WeakPolarHBondContact CG-O 3.1Å; P36-A66 HydrophobicContact CB-CB 3.88Å; P36-A66 HydrophobicContact CG-CB 4.36Å
37D96.1Very high93.2Very high39 Ų3958.9 Ų58.921%0.20930%0.302CS..THydrogen-bonded Turntrans-87.114.1176-62.6-37.5000114.3H35 V39 T45 A66 D67H35-D37 VanDerWaalsContact C-N 3.28Å; H35-D37 IonicContact CE1-OD2 3.43Å; H35-D37 PolarHBondContact ND1-N 2.9Å; H35-D37 VanDerWaalsContact ND1-N 3.16Å; H35-D37 PolarHBondContact O-N 3.28Å; D37-V39 PolarHBondContact O-N 3.48Å; D37-T45 HydrophobicContact CB-CG2 4.21Å; D37-A66 WeakPolarHBondContact OD1-CA 3.32Å; D37-D67 PolarHBondContact OD1-N 3.36Å; D37-D67 VanDerWaalsContact OD1-N 3.12Å; D37-D67 PolarHBondContact OD2-N 3.28Å; D37-D67 VanDerWaalsContact OD2-N 3.11Å
38T94.1Very high93.2Very high25 Ų2559.8 Ų59.815%0.15331%0.306CS..  trans-59.7136.1170.9-163.50000109.8A9 L12 V34 H35 P36A9-T38 HydrophobicContact CB-CG2 3.56Å; A9-T38 WeakPolarHBondContact CB-OG1 3.43Å; L12-T38 HydrophobicContact CD2-CG2 3.99Å; V34-T38 HydrophobicContact CG1-CG2 3.7Å; H35-T38 VanDerWaalsContact O-CB 3.31Å; H35-T38 WeakPolarHBondContact O-CB 3.48Å; H35-T38 VanDerWaalsContact O-CG2 3.27Å; H35-T38 WeakPolarHBondContact O-CG2 3.41Å; H35-T38 PolarHBondContact O-N 3.17Å; P36-T38 VanDerWaalsContact C-N 3.27Å; P36-T38 PolarHBondContact O-N 3.15Å
39V93.9Very high93.2Very high77 Ų7761.6 Ų61.647%0.46732%0.317SS..  trans-99.4138.7-177.7-65.40000111.3A9 D37 K44 T45A9-V39 WeakPolarHBondContact CB-O 3.45Å; D37-V39 PolarHBondContact O-N 3.48Å; V39-K44 WeakPolarHBondContact CA-O 3.44Å; V39-T45 HydrophobicContact CG1-CG2 3.89Å
40N92.4Very high93.3Very high19 Ų1961.6 Ų61.610%0.10232%0.316CS..  trans-75.8-177.2170.768.418.2000111.6T13 F42 G43 K44T13-N40 HydrophobicContact CG2-CB 3.99Å; T13-N40 PolarHBondContact OG1-ND2 2.9Å; N40-F42 PolarHBondContact O-N 2.98Å; N40-F42 WeakPolarHBondContact OD1-CA 3.41Å; N40-F42 WeakPolarHBondContact OD1-CB 3.41Å; N40-F42 PolarHBondContact OD1-N 3.41Å; N40-G43 PolarHBondContact O-N 3.31Å; N40-G43 PolarHBondContact OD1-N 3.39Å; N40-K44 PolarHBondContact N-O 2.99Å; N40-K44 PolarHBondContact OD1-N 2.79Å; N40-K44 PolarHBondContact OD1-O 2.91Å
41Q91.2Very high93.4Very high140 Ų14061.4 Ų61.465%0.65431%0.307SS*.THydrogen-bonded Turntrans-57.9-15.6178.469.4-176.37.800115.1
42F90.3Very high93.5Very high150 Ų15054.6 Ų54.666%0.65828%0.276SS*.THydrogen-bonded Turntrans-95.33.2176.7-53.4-70.8000112.9N40 K44N40-F42 PolarHBondContact O-N 2.98Å; N40-F42 WeakPolarHBondContact OD1-CA 3.41Å; N40-F42 WeakPolarHBondContact OD1-CB 3.41Å; N40-F42 PolarHBondContact OD1-N 3.41Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 HydrophobicContact CB-CG 4.27Å
43G92.1Very high93.5Very high46 Ų4654.2 Ų54.247%0.47428%0.28SS..SBendtrans71.126-175.700000113.1N40N40-G43 PolarHBondContact O-N 3.31Å; N40-G43 PolarHBondContact OD1-N 3.39Å
44K93.8Very high93.6Very high63 Ų6346.3 Ų46.327%0.27425%0.253SS..  trans-110.3135.6-178.4-64.6-72.2-173.1167.90111.1V39 N40 F42 Q48 V49 D72V39-K44 WeakPolarHBondContact CA-O 3.44Å; N40-K44 PolarHBondContact N-O 2.99Å; N40-K44 PolarHBondContact OD1-N 2.79Å; N40-K44 PolarHBondContact OD1-O 2.91Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 HydrophobicContact CB-CG 4.27Å; K44-Q48 HydrophobicContact CD-CB 4.19Å; K44-V49 HydrophobicContact CB-CG1 3.71Å; K44-V49 HydrophobicContact CG-CG1 4.28Å; K44-D72 IonicContact NZ-OD2 2.84Å
45T96.3Very high93.7Very high1 Ų146.8 Ų46.81%0.00626%0.257CS..  trans-80.9169.2172.172.10000111.2D37 V39 L47 Q48 V49 I70D37-T45 HydrophobicContact CB-CG2 4.21Å; V39-T45 HydrophobicContact CG1-CG2 3.89Å; T45-L47 VanDerWaalsContact C-N 3.31Å; T45-L47 PolarHBondContact O-N 3.31Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 PolarHBondContact OG1-N 3.43Å; T45-V49 PolarHBondContact O-N 2.95Å; T45-I70 HydrophobicContact CG2-CD1 4.23Å; T45-I70 HydrophobicContact CG2-CG1 4.16Å
46A96.9Very high93.9Very high0 Ų046 Ų460%026%0.257CS..Hα-helixtrans-62.1-38.9176.200000112.4L12 T13 A16 Q48 V49 M50 L61L12-A46 HydrophobicContact CD2-CB 4.02Å; L12-A46 HydrophobicContact CG-CB 3.85Å; T13-A46 HydrophobicContact CG2-CB 4.45Å; A16-A46 HydrophobicContact CB-CB 4Å; A46-Q48 VanDerWaalsContact C-N 3.27Å; A46-Q48 PolarHBondContact O-N 3.41Å; A46-V49 PolarHBondContact O-N 3.21Å; A46-M50 WeakPolarHBondContact O-CB 3.33Å; A46-M50 PolarHBondContact O-N 2.99Å; A46-L61 HydrophobicContact CB-CD1 3.96Å; A46-L61 HydrophobicContact CB-CD2 3.61Å; A46-L61 HydrophobicContact CB-CG 4.48Å
47L97.1Very high94Very high1 Ų145.5 Ų45.51%0.00525%0.254CS..Hα-helixtrans-64-32.5178.7-166.969.4000112.1T45 M50 L61 L62 A66 D67 I70 P78 L94T45-L47 VanDerWaalsContact C-N 3.31Å; T45-L47 PolarHBondContact O-N 3.31Å; L47-M50 HydrophobicContact CD1-CE 3.75Å; L47-M50 HydrophobicContact CD1-SD 3.81Å; L47-L61 HydrophobicContact CB-CD1 4.32Å; L47-L61 HydrophobicContact CD1-CB 4.22Å; L47-L61 HydrophobicContact CD1-CD1 4.14Å; L47-L62 HydrophobicContact CD1-CD2 4.39Å; L47-L62 HydrophobicContact CD1-CG 4.31Å; L47-L62 HydrophobicContact CD2-CD2 3.95Å; L47-A66 HydrophobicContact CD2-CB 4.31Å; L47-D67 VanDerWaalsContact CD2-O 3.31Å; L47-D67 WeakPolarHBondContact CD2-O 3.47Å; L47-I70 HydrophobicContact CD2-CG2 4.31Å; L47-P78 HydrophobicContact CD2-CB 4.49Å; L47-P78 HydrophobicContact CD2-CG 3.84Å; L47-P78 HydrophobicContact CG-CB 4.48Å; L47-P78 HydrophobicContact CG-CG 4.04Å; L47-L94 HydrophobicContact CD1-CD2 4.23Å; L47-L94 HydrophobicContact CD2-CD2 4.28Å
48Q94.9Very high94Very high24 Ų2443.7 Ų43.711%0.11224%0.244CC..Hα-helixtrans-77-17.6178.6-69.1177.6-51.100114.3K44 T45 A46 I70 T71K44-Q48 HydrophobicContact CD-CB 4.19Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 PolarHBondContact OG1-N 3.43Å; A46-Q48 VanDerWaalsContact C-N 3.27Å; A46-Q48 PolarHBondContact O-N 3.41Å; Q48-I70 HydrophobicContact CG-CG1 4.2Å; Q48-I70 HydrophobicContact CG-CG2 3.65Å; Q48-T71 PolarHBondContact NE2-O 3.44Å
49V95.3Very high94.2Very high45 Ų4546 Ų4627%0.27325%0.25SS..Hα-helixtrans-118.5-2.9-176.9-54.80000113.6T13 A17 K44 T45 A46T13-V49 HydrophobicContact CG2-CG2 4.1Å; T13-V49 WeakPolarHBondContact O-CG2 3.41Å; A17-V49 WeakPolarHBondContact CA-O 3.34Å; A17-V49 HydrophobicContact CB-CG2 4.45Å; A17-V49 WeakPolarHBondContact CB-O 3.11Å; K44-V49 HydrophobicContact CB-CG1 3.71Å; K44-V49 HydrophobicContact CG-CG1 4.28Å; T45-V49 PolarHBondContact O-N 2.95Å; A46-V49 PolarHBondContact O-N 3.21Å
50M95.1Very high94.4Very high7 Ų742.4 Ų42.43%0.03423%0.228CC..SBendtrans-60155.3-176.971178.8176.700111.5A16 A46 L47 M52 V57 A58 L61 T90A16-M50 HydrophobicContact CB-CB 4Å; A16-M50 WeakPolarHBondContact O-CA 3.32Å; A46-M50 WeakPolarHBondContact O-CB 3.33Å; A46-M50 PolarHBondContact O-N 2.99Å; L47-M50 HydrophobicContact CD1-CE 3.75Å; L47-M50 HydrophobicContact CD1-SD 3.81Å; M50-M52 HydrophobicContact CE-CE 3.73Å; M50-M52 HydrophobicContact CE-SD 4.24Å; M50-M52 HydrophobicContact CG-CE 3.52Å; M50-M52 VanDerWaalsContact O-CE 3.3Å; M50-M52 WeakPolarHBondContact O-CE 3.5Å; M50-M52 PolarHBondContact O-N 3.24Å; M50-V57 HydrophobicContact CB-CG1 3.92Å; M50-V57 HydrophobicContact SD-CG1 4.36Å; M50-A58 HydrophobicContact CE-CB 3.47Å; M50-A58 VanDerWaalsContact CE-CB 3.47Å; M50-A58 WeakPolarHBondContact SD-CA 3.41Å; M50-A58 HydrophobicContact SD-CB 3.53Å; M50-A58 VanDerWaalsContact SD-CB 3.53Å; M50-L61 HydrophobicContact SD-CD1 4.22Å; M50-T90 HydrophobicContact CE-CG2 3.68Å
51M91.9Very high94.7Very high94 Ų9441.5 Ų41.546%0.46322%0.224SC..  trans-65.8108.4170.8-176.1176.6-68.600109.5A16 G53 N54A16-M51 PolarHBondContact O-N 3.32Å; A16-M51 VanDerWaalsContact O-N 3.11Å; M51-G53 PolarHBondContact O-N 2.96Å; M51-N54 HydrophobicContact CB-CB 4.43Å; M51-N54 PolarHBondContact O-N 3.32Å
52M88Confident95Very high20 Ų2035.3 Ų35.310%0.09920%0.195CC..THydrogen-bonded Turntrans-57.3-26.2-174.8-67.7-66.211900113.5M50 N54 D81 T85 F87 T90M50-M52 HydrophobicContact CE-CE 3.73Å; M50-M52 HydrophobicContact CE-SD 4.24Å; M50-M52 HydrophobicContact CG-CE 3.52Å; M50-M52 VanDerWaalsContact O-CE 3.3Å; M50-M52 WeakPolarHBondContact O-CE 3.5Å; M50-M52 PolarHBondContact O-N 3.24Å; M52-N54 PolarHBondContact O-N 3.28Å; M52-D81 HydrophobicContact SD-CB 4.1Å; M52-T85 HydrophobicContact CB-CG2 4.41Å; M52-T85 WeakPolarHBondContact CB-OG1 3.48Å; M52-T85 HydrophobicContact CG-CG2 4.19Å; M52-F87 VanDerWaalsContact C-CD2 3.41Å; M52-F87 HydrophobicContact CB-CD2 3.39Å; M52-F87 HydrophobicContact CB-CE2 3.93Å; M52-F87 HydrophobicContact CB-CG 4.3Å; M52-F87 WeakPolarHBondContact O-CB 3.37Å; M52-T90 VanDerWaalsContact O-CB 3.24Å; M52-T90 WeakPolarHBondContact O-CB 3.45Å; M52-T90 PolarHBondContact O-OG1 2.9Å; M52-T90 HydrophobicContact SD-CG2 4.46Å
53G89.9Confident95.4Very high41 Ų4133.1 Ų33.142%0.42319%0.187SC..THydrogen-bonded Turntrans-75.4-2.5174.900000115.4M51 F87M51-G53 PolarHBondContact O-N 2.96Å; G53-F87 VanDerWaalsContact CA-CD1 3.44Å; G53-F87 VanDerWaalsContact CA-CE1 3.47Å
54N92.8Very high95.7Very high32 Ų3235.5 Ų35.517%0.17118%0.182CC..  trans-112.284.9-180-166.9-28000111G19 M51 M52 N56 V57 A58G19-N54 PolarHBondContact O-ND2 2.93Å; M51-N54 HydrophobicContact CB-CB 4.43Å; M51-N54 PolarHBondContact O-N 3.32Å; M52-N54 PolarHBondContact O-N 3.28Å; N54-N56 PolarHBondContact O-N 2.87Å; N54-N56 WeakPolarHBondContact OD1-CB 3.47Å; N54-N56 PolarHBondContact OD1-N 3.38Å; N54-V57 HydrophobicContact CB-CG2 4.43Å; N54-V57 PolarHBondContact O-N 3.33Å; N54-V57 PolarHBondContact OD1-N 2.97Å; N54-A58 PolarHBondContact O-N 3.42Å
55S96.1Very high95.8Very high32 Ų3234.8 Ų34.822%0.22419%0.192CC..Hα-helixtrans-62.5-21.4178.458.80000113.4A58 R59 T90S55-A58 WeakPolarHBondContact O-CB 3.46Å; S55-A58 PolarHBondContact O-N 3.02Å; S55-R59 WeakPolarHBondContact O-CB 3.42Å; S55-R59 PolarHBondContact O-N 3.38Å; S55-T90 WeakPolarHBondContact CA-OG1 3.36Å; S55-T90 PolarHBondContact N-OG1 2.92Å
56N97.4Very high95.9Very high100 Ų10035 Ų3554%0.53519%0.194SC..Hα-helixtrans-69.1-40.1175.6-63.9-44.6000112T21 N54 L60T21-N56 HydrophobicContact CG2-CB 4.23Å; N54-N56 PolarHBondContact O-N 2.87Å; N54-N56 WeakPolarHBondContact OD1-CB 3.47Å; N54-N56 PolarHBondContact OD1-N 3.38Å; N56-L60 VanDerWaalsContact O-CB 3.24Å; N56-L60 WeakPolarHBondContact O-CB 3.44Å; N56-L60 PolarHBondContact O-N 2.95Å
57V97.5Very high96Very high0 Ų038.1 Ų38.10%021%0.211CC..Hα-helixtrans-65.3-43174.2171.30000110.4A16 V24 M50 N54 L60 L61A16-V57 HydrophobicContact CB-CG1 4Å; V24-V57 HydrophobicContact CG2-CG1 4.39Å; M50-V57 HydrophobicContact CB-CG1 3.92Å; M50-V57 HydrophobicContact SD-CG1 4.36Å; N54-V57 HydrophobicContact CB-CG2 4.43Å; N54-V57 PolarHBondContact O-N 3.33Å; N54-V57 PolarHBondContact OD1-N 2.97Å; V57-L60 PolarHBondContact O-N 3.13Å; V57-L61 HydrophobicContact CG1-CD1 3.86Å; V57-L61 HydrophobicContact CG1-CG 4.43Å; V57-L61 WeakPolarHBondContact O-CG 3.39Å; V57-L61 PolarHBondContact O-N 3Å
58A97.8Very high96Very high0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-56.6-53.3175.200000111.5M50 N54 S55 L60 L61 L62 T90 V93M50-A58 HydrophobicContact CE-CB 3.47Å; M50-A58 VanDerWaalsContact CE-CB 3.47Å; M50-A58 WeakPolarHBondContact SD-CA 3.41Å; M50-A58 HydrophobicContact SD-CB 3.53Å; M50-A58 VanDerWaalsContact SD-CB 3.53Å; N54-A58 PolarHBondContact O-N 3.42Å; S55-A58 WeakPolarHBondContact O-CB 3.46Å; S55-A58 PolarHBondContact O-N 3.02Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 3.12Å; A58-L61 PolarHBondContact O-N 3.34Å; A58-L62 WeakPolarHBondContact O-CD1 3.24Å; A58-L62 WeakPolarHBondContact O-CG 3.35Å; A58-L62 PolarHBondContact O-N 3.48Å; A58-L62 VanDerWaalsContact O-N 3.08Å; A58-T90 HydrophobicContact CB-CG2 4.02Å; A58-V93 HydrophobicContact CB-CG1 4.09Å
59R98.4Very high96.1Very high74 Ų7439.7 Ų39.728%0.27922%0.221SC..Hα-helixtrans-57.1-48179.7-180175.1-64.7-78.1-2.2110.9S55 L61 L62 E63 V93 E96 F97S55-R59 WeakPolarHBondContact O-CB 3.42Å; S55-R59 PolarHBondContact O-N 3.38Å; R59-L61 PolarHBondContact O-N 3.29Å; R59-L62 PolarHBondContact O-N 3.04Å; R59-E63 WeakPolarHBondContact CD-OE1 3.44Å; R59-E63 HydrophobicContact CG-CG 4.18Å; R59-E63 VanDerWaalsContact CG-OE1 3.28Å; R59-E63 WeakPolarHBondContact CG-OE1 3.4Å; R59-E63 WeakPolarHBondContact O-CB 3.21Å; R59-E63 VanDerWaalsContact O-CG 3.31Å; R59-E63 WeakPolarHBondContact O-CG 3.3Å; R59-E63 PolarHBondContact O-N 3.31Å; R59-V93 HydrophobicContact CB-CG1 3.85Å; R59-E96 IonicContact CZ-OE1 3.63Å; R59-E96 IonicContact CZ-OE2 3.55Å; R59-E96 IonicContact NH1-OE1 3.54Å; R59-E96 PolarHBondContact NH1-OE1 3.04Å; R59-E96 IonicContact NH1-OE2 3.77Å; R59-E96 PolarHBondContact NH1-OE2 2.65Å; R59-E96 IonicContact NH2-OE1 2.8Å; R59-E96 IonicContact NH2-OE2 3.57Å; R59-E96 PolarHBondContact NH2-OE2 3.12Å; R59-F97 HydrophobicContact CG-CE2 4.39Å
60L97.8Very high96.2Very high2 Ų239.3 Ų39.31%0.0122%0.217CC..Hα-helixtrans-62.6-42.3-178.7-177.464.3000112.5T21 V24 R25 L28 N56 V57 A58 L62 Y64T21-L60 HydrophobicContact CG2-CD2 3.94Å; T21-L60 WeakPolarHBondContact O-CD2 3.35Å; V24-L60 HydrophobicContact CB-CD2 4.02Å; V24-L60 HydrophobicContact CG1-CD2 3.68Å; V24-L60 HydrophobicContact CG1-CG 4.22Å; R25-L60 HydrophobicContact CB-CD1 4.48Å; R25-L60 HydrophobicContact CB-CD2 3.72Å; R25-L60 HydrophobicContact CG-CD1 4.48Å; L28-L60 HydrophobicContact CD1-CG 4.35Å; N56-L60 VanDerWaalsContact O-CB 3.24Å; N56-L60 WeakPolarHBondContact O-CB 3.44Å; N56-L60 PolarHBondContact O-N 2.95Å; V57-L60 PolarHBondContact O-N 3.13Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 3.12Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 3.29Å; L60-Y64 HydrophobicContact CD1-CD2 3.89Å; L60-Y64 HydrophobicContact CD1-CE2 3.59Å; L60-Y64 VanDerWaalsContact O-CD2 3.25Å; L60-Y64 WeakPolarHBondContact O-CD2 3.41Å; L60-Y64 PolarHBondContact O-N 3.07Å
61L98.1Very high96.2Very high0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-61.3-43.4176-73.7166.4000111.3V24 L28 P36 A46 L47 M50 V57 A58 R59 Y64 G65 A66V24-L61 HydrophobicContact CG1-CD2 4.11Å; V24-L61 HydrophobicContact CG1-CG 4.3Å; L28-L61 HydrophobicContact CD1-CD2 3.94Å; P36-L61 HydrophobicContact CB-CD2 4.46Å; A46-L61 HydrophobicContact CB-CD1 3.96Å; A46-L61 HydrophobicContact CB-CD2 3.61Å; A46-L61 HydrophobicContact CB-CG 4.48Å; L47-L61 HydrophobicContact CB-CD1 4.32Å; L47-L61 HydrophobicContact CD1-CB 4.22Å; L47-L61 HydrophobicContact CD1-CD1 4.14Å; M50-L61 HydrophobicContact SD-CD1 4.22Å; V57-L61 HydrophobicContact CG1-CD1 3.86Å; V57-L61 HydrophobicContact CG1-CG 4.43Å; V57-L61 WeakPolarHBondContact O-CG 3.39Å; V57-L61 PolarHBondContact O-N 3Å; A58-L61 PolarHBondContact O-N 3.34Å; R59-L61 PolarHBondContact O-N 3.29Å; L61-Y64 PolarHBondContact O-N 3.5Å; L61-G65 PolarHBondContact O-N 2.82Å; L61-A66 HydrophobicContact CB-CB 4.04Å; L61-A66 WeakPolarHBondContact O-CB 3.17Å; L61-A66 PolarHBondContact O-N 3.49Å
62L98.3Very high96.3Very high9 Ų939.8 Ų39.85%0.04722%0.224CC..Hα-helixtrans-71.8-38.4-178.4-63.6161.5000112.7L47 A58 R59 L60 Y64 G65 A66 P68 V93 L94 F97L47-L62 HydrophobicContact CD1-CD2 4.39Å; L47-L62 HydrophobicContact CD1-CG 4.31Å; L47-L62 HydrophobicContact CD2-CD2 3.95Å; A58-L62 WeakPolarHBondContact O-CD1 3.24Å; A58-L62 WeakPolarHBondContact O-CG 3.35Å; A58-L62 PolarHBondContact O-N 3.48Å; A58-L62 VanDerWaalsContact O-N 3.08Å; R59-L62 PolarHBondContact O-N 3.04Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 3.29Å; L62-Y64 PolarHBondContact O-N 2.83Å; L62-G65 PolarHBondContact O-N 2.96Å; L62-A66 HydrophobicContact CD2-CB 4.42Å; L62-P68 HydrophobicContact CD2-CB 3.72Å; L62-P68 HydrophobicContact CD2-CG 4.45Å; L62-V93 HydrophobicContact CD1-CG1 3.7Å; L62-L94 HydrophobicContact CD1-CD2 4.1Å; L62-F97 HydrophobicContact CB-CB 4.01Å; L62-F97 HydrophobicContact CB-CD1 3.56Å; L62-F97 HydrophobicContact CB-CD2 4.01Å; L62-F97 HydrophobicContact CB-CE1 3.97Å; L62-F97 HydrophobicContact CB-CE2 4.39Å; L62-F97 HydrophobicContact CB-CG 3.58Å; L62-F97 HydrophobicContact CB-CZ 4.37Å; L62-F97 HydrophobicContact CD1-CB 3.98Å; L62-F97 HydrophobicContact CD1-CD2 4.01Å; L62-F97 HydrophobicContact CD1-CG 4.03Å; L62-F97 HydrophobicContact CD2-CB 4.15Å; L62-F97 HydrophobicContact CG-CB 4.27Å; L62-F97 HydrophobicContact CG-CG 4.28Å
63E98.1Very high96.6Very high105 Ų10550 Ų5049%0.49126%0.262SS..Hα-helixtrans-58.7-31.7173.1-78174.7177.900112.2R59 G65 F97R59-E63 WeakPolarHBondContact CD-OE1 3.44Å; R59-E63 HydrophobicContact CG-CG 4.18Å; R59-E63 VanDerWaalsContact CG-OE1 3.28Å; R59-E63 WeakPolarHBondContact CG-OE1 3.4Å; R59-E63 WeakPolarHBondContact O-CB 3.21Å; R59-E63 VanDerWaalsContact O-CG 3.31Å; R59-E63 WeakPolarHBondContact O-CG 3.3Å; R59-E63 PolarHBondContact O-N 3.31Å; E63-G65 VanDerWaalsContact C-N 3.31Å; E63-F97 HydrophobicContact CG-CE1 4.07Å; E63-F97 HydrophobicContact CG-CZ 3.68Å
64Y97.7Very high96.9Very high95 Ų9554.7 Ų54.737%0.37327%0.266SS..THydrogen-bonded Turntrans-895.4176-81.2-100000113.5L28 P36 L60 L61 L62L28-Y64 HydrophobicContact CB-CD1 3.54Å; L28-Y64 HydrophobicContact CB-CD2 4.25Å; L28-Y64 HydrophobicContact CB-CE1 3.85Å; L28-Y64 HydrophobicContact CB-CG 3.74Å; L28-Y64 HydrophobicContact CD1-CD2 4.16Å; L28-Y64 HydrophobicContact CD1-CG 3.98Å; L28-Y64 HydrophobicContact CG-CG 4.45Å; L28-Y64 WeakPolarHBondContact O-CD1 3.5Å; L28-Y64 WeakPolarHBondContact O-CE1 3.33Å; P36-Y64 WeakPolarHBondContact CG-O 3.1Å; L60-Y64 HydrophobicContact CD1-CD2 3.89Å; L60-Y64 HydrophobicContact CD1-CE2 3.59Å; L60-Y64 VanDerWaalsContact O-CD2 3.25Å; L60-Y64 WeakPolarHBondContact O-CD2 3.41Å; L60-Y64 PolarHBondContact O-N 3.07Å; L61-Y64 PolarHBondContact O-N 3.5Å; L62-Y64 PolarHBondContact O-N 2.83Å
65G97Very high97Very high48 Ų4853.5 Ų53.550%0.49526%0.262SS..THydrogen-bonded Turntrans92.62317200000115.5L61 L62 E63L61-G65 PolarHBondContact O-N 2.82Å; L62-G65 PolarHBondContact O-N 2.96Å; E63-G65 VanDerWaalsContact C-N 3.31Å
66A98Very high97.1Very high5 Ų552.2 Ų52.24%0.04125%0.253CS..  trans-57.7140.9167.200000110.6P36 D37 L47 L61 L62 P68P36-A66 HydrophobicContact CB-CB 3.88Å; P36-A66 HydrophobicContact CG-CB 4.36Å; D37-A66 WeakPolarHBondContact OD1-CA 3.32Å; L47-A66 HydrophobicContact CD2-CB 4.31Å; L61-A66 HydrophobicContact CB-CB 4.04Å; L61-A66 WeakPolarHBondContact O-CB 3.17Å; L61-A66 PolarHBondContact O-N 3.49Å; L62-A66 HydrophobicContact CD2-CB 4.42Å; A66-P68 WeakPolarHBondContact O-CD 3.46Å
67D98.2Very high97.1Very high66 Ų6647.7 Ų47.735%0.35323%0.229SC..  trans-70.8111.6174.51807.2000111.1D37 L47 N69 I70D37-D67 PolarHBondContact OD1-N 3.36Å; D37-D67 VanDerWaalsContact OD1-N 3.12Å; D37-D67 PolarHBondContact OD2-N 3.28Å; D37-D67 VanDerWaalsContact OD2-N 3.11Å; L47-D67 VanDerWaalsContact CD2-O 3.31Å; L47-D67 WeakPolarHBondContact CD2-O 3.47Å; D67-N69 PolarHBondContact O-N 3.26Å; D67-N69 WeakPolarHBondContact OD1-CA 3.33Å; D67-N69 WeakPolarHBondContact OD1-CB 3.45Å; D67-N69 PolarHBondContact OD1-N 2.92Å; D67-I70 HydrophobicContact CB-CB 4.43Å; D67-I70 WeakPolarHBondContact O-CG2 3.22Å; D67-I70 PolarHBondContact O-N 2.91Å
68P97.9Very high97.1Very high17 Ų1747.8 Ų47.811%0.1123%0.23CC..THydrogen-bonded Turntrans-66-18.217828.5-36.1000113.4L62 A66 F97 A99L62-P68 HydrophobicContact CD2-CB 3.72Å; L62-P68 HydrophobicContact CD2-CG 4.45Å; A66-P68 WeakPolarHBondContact O-CD 3.46Å; P68-F97 WeakPolarHBondContact CG-O 3.31Å; P68-A99 HydrophobicContact CB-CB 4.01Å
69N97.8Very high97.1Very high41 Ų4147.8 Ų47.822%0.21923%0.23CC..THydrogen-bonded Turntrans-10412.5-176.3-67.3-68.8000113D67 T71 G98 S100D67-N69 PolarHBondContact O-N 3.26Å; D67-N69 WeakPolarHBondContact OD1-CA 3.33Å; D67-N69 WeakPolarHBondContact OD1-CB 3.45Å; D67-N69 PolarHBondContact OD1-N 2.92Å; N69-T71 PolarHBondContact O-N 3.25Å; N69-G98 PolarHBondContact ND2-O 3.48Å; N69-S100 WeakPolarHBondContact OD1-CB 3.41Å; N69-S100 PolarHBondContact OD1-N 3.35Å
70I96.6Very high97.1Very high37 Ų3744.4 Ų44.419%0.1922%0.217CC..  trans-52.7135.8174.4-16774.7000110.1T45 L47 Q48 D67 S77 P78T45-I70 HydrophobicContact CG2-CD1 4.23Å; T45-I70 HydrophobicContact CG2-CG1 4.16Å; L47-I70 HydrophobicContact CD2-CG2 4.31Å; Q48-I70 HydrophobicContact CG-CG1 4.2Å; Q48-I70 HydrophobicContact CG-CG2 3.65Å; D67-I70 HydrophobicContact CB-CB 4.43Å; D67-I70 WeakPolarHBondContact O-CG2 3.22Å; D67-I70 PolarHBondContact O-N 2.91Å; I70-S77 WeakPolarHBondContact O-CA 3.43Å; I70-P78 HydrophobicContact CG2-CG 3.69Å; I70-P78 WeakPolarHBondContact O-CD 3.45Å
71T96Very high97Very high67 Ų6746 Ų4641%0.41123%0.226SC..  trans-124.7151.5178.855.70000111.9Q48 N69 V76Q48-T71 PolarHBondContact NE2-O 3.44Å; N69-T71 PolarHBondContact O-N 3.25Å; T71-V76 VanDerWaalsContact CA-O 3.28Å; T71-V76 WeakPolarHBondContact CA-O 3.25Å
72D93.9Very high97Very high44 Ų4446 Ų4624%0.23523%0.226CC..  trans-84.2-174.7167.481.4-0.9000112.7K44 R74 G75 V76K44-D72 IonicContact NZ-OD2 2.84Å; D72-R74 PolarHBondContact O-N 3.3Å; D72-R74 VanDerWaalsContact O-N 3.07Å; D72-R74 WeakPolarHBondContact OD1-CA 3.32Å; D72-R74 WeakPolarHBondContact OD1-CB 3.21Å; D72-R74 PolarHBondContact OD1-N 3.42Å; D72-G75 PolarHBondContact O-N 3.3Å; D72-G75 PolarHBondContact OD1-N 3.02Å; D72-V76 PolarHBondContact N-O 3.01Å; D72-V76 WeakPolarHBondContact OD1-CB 3.48Å; D72-V76 PolarHBondContact OD1-N 3.43Å; D72-V76 VanDerWaalsContact OD1-N 3.08Å
73R93.9Very high97Very high235 Ų23545.6 Ų45.689%0.88722%0.224SC*.THydrogen-bonded Turntrans-63.7-11.6-179.5-63.7-175.8-176.7168.21.3114.4H106R73-H106 PolarHBondContact O-CE1 3.33Å; R73-H106 PolarHBondContact O-ND1 3.08Å; R73-H106 VanDerWaalsContact O-ND1 3.15Å
74R95.4Very high96.9Very high139 Ų13944.4 Ų44.453%0.52521%0.214SC..THydrogen-bonded Turntrans-102.24176.5-61.5-176.367.6-124.7-5111.9D72 V76 D105 H106D72-R74 PolarHBondContact O-N 3.3Å; D72-R74 VanDerWaalsContact O-N 3.07Å; D72-R74 WeakPolarHBondContact OD1-CA 3.32Å; D72-R74 WeakPolarHBondContact OD1-CB 3.21Å; D72-R74 PolarHBondContact OD1-N 3.42Å; R74-V76 HydrophobicContact CB-CG2 3.99Å; R74-V76 PolarHBondContact O-N 3.17Å; R74-D105 WeakPolarHBondContact O-CB 3.32Å; R74-H106 VanDerWaalsContact C-CG 3.45Å; R74-H106 WeakPolarHBondContact CA-ND1 3.44Å; R74-H106 WeakPolarHBondContact O-CB 3.19Å; R74-H106 VanDerWaalsContact O-CG 3.23Å; R74-H106 PolarHBondContact O-N 3.01Å
75G96.4Very high96.8Very high7 Ų742.4 Ų42.47%0.07221%0.212CC..  trans76.510.5-174.600000113.3D72 S77D72-G75 PolarHBondContact O-N 3.3Å; D72-G75 PolarHBondContact OD1-N 3.02Å; G75-S77 PolarHBondContact O-N 3.44Å
76V97Very high96.8Very high5 Ų540.8 Ų40.83%0.0320%0.195CC..  trans-75.3122.7-179.3-179.80000108.9T71 D72 R74 H80 D81 D105T71-V76 VanDerWaalsContact CA-O 3.28Å; T71-V76 WeakPolarHBondContact CA-O 3.25Å; D72-V76 PolarHBondContact N-O 3.01Å; D72-V76 WeakPolarHBondContact OD1-CB 3.48Å; D72-V76 PolarHBondContact OD1-N 3.43Å; D72-V76 VanDerWaalsContact OD1-N 3.08Å; R74-V76 HydrophobicContact CB-CG2 3.99Å; R74-V76 PolarHBondContact O-N 3.17Å; V76-H80 HydrophobicContact CG1-CB 3.72Å; V76-D81 WeakPolarHBondContact CG1-OD1 3.33Å; V76-D105 HydrophobicContact CG2-CB 4.35Å
77S97.3Very high96.7Very high6 Ų644.9 Ų44.94%0.04221%0.212CC..  trans-100.3164.8177.575.40000112.3I70 G75 A79 H80 D81I70-S77 WeakPolarHBondContact O-CA 3.43Å; G75-S77 PolarHBondContact O-N 3.44Å; S77-A79 PolarHBondContact O-N 3.15Å; S77-A79 VanDerWaalsContact O-N 3.11Å; S77-A79 PolarHBondContact OG-N 3Å; S77-H80 PolarHBondContact N-ND1 3.24Å; S77-H80 VanDerWaalsContact N-ND1 3.18Å; S77-H80 WeakPolarHBondContact O-CA 3.47Å; S77-H80 VanDerWaalsContact O-CB 3.32Å; S77-H80 WeakPolarHBondContact O-CB 3.28Å; S77-H80 PolarHBondContact O-N 2.83Å; S77-H80 PolarHBondContact OG-ND1 3Å; S77-D81 PolarHBondContact O-N 3.18Å
78P97.4Very high96.7Very high2 Ų243 Ų431%0.01320%0.203CC..Hα-helixtrans-51-34.7173-30.634.1000114.1L47 I70 H80 D81 A82 L94L47-P78 HydrophobicContact CD2-CB 4.49Å; L47-P78 HydrophobicContact CD2-CG 3.84Å; L47-P78 HydrophobicContact CG-CB 4.48Å; L47-P78 HydrophobicContact CG-CG 4.04Å; I70-P78 HydrophobicContact CG2-CG 3.69Å; I70-P78 WeakPolarHBondContact O-CD 3.45Å; P78-H80 VanDerWaalsContact C-N 3.33Å; P78-H80 PolarHBondContact O-N 3.19Å; P78-D81 PolarHBondContact O-N 2.85Å; P78-A82 WeakPolarHBondContact O-CB 3.27Å; P78-A82 PolarHBondContact O-N 2.89Å; P78-L94 HydrophobicContact CB-CD1 3.68Å; P78-L94 HydrophobicContact CB-CD2 3.63Å; P78-L94 HydrophobicContact CB-CG 4.32Å; P78-L94 HydrophobicContact CG-CD2 4.46Å
79A97.9Very high96.7Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-64.6-35.9176.300000112.5S77 A83 L91 P111S77-A79 PolarHBondContact O-N 3.15Å; S77-A79 VanDerWaalsContact O-N 3.11Å; S77-A79 PolarHBondContact OG-N 3Å; A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 2.89Å; A79-L91 HydrophobicContact CB-CD1 3.95Å; A79-P111 HydrophobicContact CB-CB 4.5Å; A79-P111 HydrophobicContact CB-CG 3.92Å
80H98.2Very high96.7Very high2 Ų245.3 Ų45.31%0.00922%0.215CC..Hα-helixtrans-66.8-41.3173.9-65.887.1000111.5V76 S77 P78 A83 R84 R103 T109 I114V76-H80 HydrophobicContact CG1-CB 3.72Å; S77-H80 PolarHBondContact N-ND1 3.24Å; S77-H80 VanDerWaalsContact N-ND1 3.18Å; S77-H80 WeakPolarHBondContact O-CA 3.47Å; S77-H80 VanDerWaalsContact O-CB 3.32Å; S77-H80 WeakPolarHBondContact O-CB 3.28Å; S77-H80 PolarHBondContact O-N 2.83Å; S77-H80 PolarHBondContact OG-ND1 3Å; P78-H80 VanDerWaalsContact C-N 3.33Å; P78-H80 PolarHBondContact O-N 3.19Å; H80-A83 PolarHBondContact O-N 3.47Å; H80-R84 WeakPolarHBondContact O-CB 3.31Å; H80-R84 PolarHBondContact O-N 2.83Å; H80-R103 PolarHBondContact CE1-O 3.11Å; H80-R103 VanDerWaalsContact CE1-O 3.24Å; H80-T109 PolarHBondContact NE2-O 2.9Å; H80-I114 HydrophobicContact CB-CD1 3.83Å
81D97Very high96.8Very high37 Ų3743.5 Ų43.520%0.19821%0.205CC..Hα-helixtrans-69.2-41.2179.7-69.9-27.9000111.8M52 V76 S77 P78 A83 R84 T85M52-D81 HydrophobicContact SD-CB 4.1Å; V76-D81 WeakPolarHBondContact CG1-OD1 3.33Å; S77-D81 PolarHBondContact O-N 3.18Å; P78-D81 PolarHBondContact O-N 2.85Å; D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 2.93Å; D81-R84 PolarHBondContact O-N 3.26Å; D81-R84 IonicContact OD1-CZ 2.7Å; D81-R84 IonicContact OD1-NH1 3.48Å; D81-R84 PolarHBondContact OD1-NH1 3.11Å; D81-T85 WeakPolarHBondContact O-CB 3.38Å; D81-T85 WeakPolarHBondContact O-CG2 3.45Å; D81-T85 PolarHBondContact O-N 2.9Å; D81-T85 PolarHBondContact O-OG1 3.45Å
82A97Very high96.9Very high0 Ų046.7 Ų46.70%021%0.21CC..Hα-helixtrans-61.7-40.9173.300000111.6P78 R84 T85 G86 F87 L91 L94P78-A82 WeakPolarHBondContact O-CB 3.27Å; P78-A82 PolarHBondContact O-N 2.89Å; A82-R84 PolarHBondContact O-N 3.42Å; A82-T85 PolarHBondContact O-N 3.02Å; A82-T85 PolarHBondContact O-OG1 3.3Å; A82-G86 PolarHBondContact O-N 2.8Å; A82-G86 VanDerWaalsContact O-N 3.07Å; A82-F87 PolarHBondContact O-N 2.83Å; A82-L91 HydrophobicContact CB-CB 3.91Å; A82-L91 HydrophobicContact CB-CD1 4.2Å; A82-L94 HydrophobicContact CB-CD1 4.06Å
83A97.6Very high97.1Very high0 Ų045 Ų450%020%0.201CC..Hα-helixtrans-67.1-33.4175.100000113.5A79 H80 D81 T85 P111 I114 A115 Y120 V123 L127A79-A83 WeakPolarHBondContact O-CB 3.44Å; A79-A83 PolarHBondContact O-N 2.89Å; H80-A83 PolarHBondContact O-N 3.47Å; D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 2.93Å; A83-T85 VanDerWaalsContact C-N 3.31Å; A83-P111 HydrophobicContact CB-CB 3.96Å; A83-P111 VanDerWaalsContact CB-O 3.27Å; A83-P111 WeakPolarHBondContact CB-O 3.24Å; A83-I114 HydrophobicContact CB-CB 4.4Å; A83-A115 HydrophobicContact CB-CB 4.31Å; A83-Y120 WeakPolarHBondContact O-CD2 3.44Å; A83-V123 HydrophobicContact CB-CG1 4.12Å; A83-L127 HydrophobicContact CB-CD1 4.29Å
84R96.9Very high97.3Very high79 Ų7933.8 Ų33.830%0.29816%0.159SC..Hα-helixtrans-72.3-24.5176.1-162.7174.7-58.9111.45.5113.7H80 D81 A82 I114 Y120H80-R84 WeakPolarHBondContact O-CB 3.31Å; H80-R84 PolarHBondContact O-N 2.83Å; D81-R84 PolarHBondContact O-N 3.26Å; D81-R84 IonicContact OD1-CZ 2.7Å; D81-R84 IonicContact OD1-NH1 3.48Å; D81-R84 PolarHBondContact OD1-NH1 3.11Å; A82-R84 PolarHBondContact O-N 3.42Å; R84-I114 HydrophobicContact CB-CG2 3.64Å; R84-I114 HydrophobicContact CG-CG2 3.93Å; R84-Y120 WeakPolarHBondContact O-CE2 3.35Å
85T95.8Very high97.5Very high54 Ų5428.9 Ų28.933%0.33114%0.144SC..Hα-helixtrans-104.2-7.4-174.550.80000113.1M52 D81 A82 A83 F87M52-T85 HydrophobicContact CB-CG2 4.41Å; M52-T85 WeakPolarHBondContact CB-OG1 3.48Å; M52-T85 HydrophobicContact CG-CG2 4.19Å; D81-T85 WeakPolarHBondContact O-CB 3.38Å; D81-T85 WeakPolarHBondContact O-CG2 3.45Å; D81-T85 PolarHBondContact O-N 2.9Å; D81-T85 PolarHBondContact O-OG1 3.45Å; A82-T85 PolarHBondContact O-N 3.02Å; A82-T85 PolarHBondContact O-OG1 3.3Å; A83-T85 VanDerWaalsContact C-N 3.31Å; T85-F87 VanDerWaalsContact C-N 3.32Å; T85-F87 PolarHBondContact O-N 3.04Å; T85-F87 WeakPolarHBondContact OG1-CD2 3.24Å
86G96.3Very high97.6Very high13 Ų1334 Ų3413%0.13417%0.166CC..THydrogen-bonded Turntrans78.89.8176.600000114.5A82 V88 Y120A82-G86 PolarHBondContact O-N 2.8Å; A82-G86 VanDerWaalsContact O-N 3.07Å; G86-V88 PolarHBondContact O-N 3.19Å; G86-V88 VanDerWaalsContact O-N 3.13Å; G86-Y120 VanDerWaalsContact CA-CD2 3.41Å
87F96.8Very high97.6Very high92 Ų9237 Ų3740%0.40418%0.179SC..  trans-88.383.1-176.3-66.3-65.3000111.9M52 G53 A82 T85 D89 T90 L91M52-F87 VanDerWaalsContact C-CD2 3.41Å; M52-F87 HydrophobicContact CB-CD2 3.39Å; M52-F87 HydrophobicContact CB-CE2 3.93Å; M52-F87 HydrophobicContact CB-CG 4.3Å; M52-F87 WeakPolarHBondContact O-CB 3.37Å; G53-F87 VanDerWaalsContact CA-CD1 3.44Å; G53-F87 VanDerWaalsContact CA-CE1 3.47Å; A82-F87 PolarHBondContact O-N 2.83Å; T85-F87 VanDerWaalsContact C-N 3.32Å; T85-F87 PolarHBondContact O-N 3.04Å; T85-F87 WeakPolarHBondContact OG1-CD2 3.24Å; F87-D89 VanDerWaalsContact C-N 3.3Å; F87-D89 PolarHBondContact O-N 3.02Å; F87-T90 PolarHBondContact O-N 3.45Å; F87-L91 PolarHBondContact O-N 3.11Å; F87-L91 VanDerWaalsContact O-N 3.11Å
88V97.9Very high97.6Very high27 Ų2738.9 Ų38.916%0.16420%0.2CC..Hα-helixtrans-58.4-37.3-178.470.10000113G86 T90 L91 R92 D122 V123 F126G86-V88 PolarHBondContact O-N 3.19Å; G86-V88 VanDerWaalsContact O-N 3.13Å; V88-T90 PolarHBondContact O-N 3.03Å; V88-L91 WeakPolarHBondContact O-CB 3.49Å; V88-L91 PolarHBondContact O-N 3.19Å; V88-R92 HydrophobicContact CG2-CG 4.39Å; V88-R92 VanDerWaalsContact O-CG 3.3Å; V88-R92 WeakPolarHBondContact O-CG 3.37Å; V88-R92 PolarHBondContact O-N 3.27Å; V88-D122 HydrophobicContact CB-CB 4.47Å; V88-D122 HydrophobicContact CG1-CB 4.36Å; V88-D122 WeakPolarHBondContact CG1-OD2 3.39Å; V88-V123 HydrophobicContact CB-CG2 4.03Å; V88-F126 HydrophobicContact CG2-CB 3.91Å; V88-F126 HydrophobicContact CG2-CG 4.27Å
89D98.1Very high97.7Very high104 Ų10439.2 Ų39.256%0.55620%0.202SC*.Hα-helixtrans-62.9-42.4-180-69.9-38.1000112.4F87 R92 V93F87-D89 VanDerWaalsContact C-N 3.3Å; F87-D89 PolarHBondContact O-N 3.02Å; D89-R92 PolarHBondContact O-N 3.34Å; D89-V93 WeakPolarHBondContact O-CG2 3.48Å; D89-V93 PolarHBondContact O-N 3.34Å
90T97.8Very high97.7Very high1 Ų141 Ų411%0.00621%0.214CC..Hα-helixtrans-67.3-39.2175.6-65.50000111M50 M52 S55 A58 F87 V88 R92 V93 L94M50-T90 HydrophobicContact CE-CG2 3.68Å; M52-T90 VanDerWaalsContact O-CB 3.24Å; M52-T90 WeakPolarHBondContact O-CB 3.45Å; M52-T90 PolarHBondContact O-OG1 2.9Å; M52-T90 HydrophobicContact SD-CG2 4.46Å; S55-T90 WeakPolarHBondContact CA-OG1 3.36Å; S55-T90 PolarHBondContact N-OG1 2.92Å; A58-T90 HydrophobicContact CB-CG2 4.02Å; F87-T90 PolarHBondContact O-N 3.45Å; V88-T90 PolarHBondContact O-N 3.03Å; T90-R92 VanDerWaalsContact C-N 3.35Å; T90-R92 PolarHBondContact O-N 3.5Å; T90-V93 PolarHBondContact O-N 3.07Å; T90-L94 HydrophobicContact CG2-CD1 4.21Å; T90-L94 VanDerWaalsContact O-CG 3.32Å; T90-L94 WeakPolarHBondContact O-CG 3.3Å; T90-L94 PolarHBondContact O-N 2.94Å
91L98.3Very high97.6Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-62.8-40.8174.5-177.360.8000112.2A79 A82 F87 V88 V93 L94 V95 V123 F126 L127A79-L91 HydrophobicContact CB-CD1 3.95Å; A82-L91 HydrophobicContact CB-CB 3.91Å; A82-L91 HydrophobicContact CB-CD1 4.2Å; F87-L91 PolarHBondContact O-N 3.11Å; F87-L91 VanDerWaalsContact O-N 3.11Å; V88-L91 WeakPolarHBondContact O-CB 3.49Å; V88-L91 PolarHBondContact O-N 3.19Å; L91-V93 VanDerWaalsContact C-N 3.34Å; L91-V93 PolarHBondContact O-N 3.06Å; L91-L94 PolarHBondContact O-N 3.46Å; L91-V95 HydrophobicContact CD1-CG2 4.43Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.93Å; L91-V123 HydrophobicContact CD2-CG1 3.68Å; L91-F126 HydrophobicContact CD2-CD1 3.83Å; L91-F126 HydrophobicContact CD2-CE1 4.28Å; L91-F126 HydrophobicContact CG-CD1 3.96Å; L91-F126 HydrophobicContact CG-CE1 3.91Å; L91-L127 HydrophobicContact CD1-CD2 4.4Å; L91-L127 HydrophobicContact CD2-CD1 3.89Å; L91-L127 HydrophobicContact CD2-CD2 3.81Å; L91-L127 HydrophobicContact CD2-CG 3.7Å; L91-L127 HydrophobicContact CG-CD2 4.41Å
92R98.4Very high97.7Very high134 Ų13443 Ų4351%0.50623%0.226SC..Hα-helixtrans-59.3-46.6174.6-72.2177.9102.3-93-3.1111.1V88 D89 T90 V95 E96 F126V88-R92 HydrophobicContact CG2-CG 4.39Å; V88-R92 VanDerWaalsContact O-CG 3.3Å; V88-R92 WeakPolarHBondContact O-CG 3.37Å; V88-R92 PolarHBondContact O-N 3.27Å; D89-R92 PolarHBondContact O-N 3.34Å; T90-R92 VanDerWaalsContact C-N 3.35Å; T90-R92 PolarHBondContact O-N 3.5Å; R92-V95 PolarHBondContact O-N 3.08Å; R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 PolarHBondContact O-N 2.72Å; R92-F126 HydrophobicContact CB-CE2 4.48Å; R92-F126 HydrophobicContact CB-CZ 4.26Å; R92-F126 HydrophobicContact CG-CD1 4.36Å; R92-F126 HydrophobicContact CG-CD2 3.86Å; R92-F126 HydrophobicContact CG-CE1 4.11Å; R92-F126 HydrophobicContact CG-CE2 3.6Å; R92-F126 HydrophobicContact CG-CG 4.24Å; R92-F126 HydrophobicContact CG-CZ 3.72Å
93V98.4Very high97.7Very high7 Ų750.1 Ų50.14%0.04225%0.253CS..Hα-helixtrans-59.7-46.9175.8169.80000111.1A58 R59 L62 D89 T90 L91 V95 E96 F97A58-V93 HydrophobicContact CB-CG1 4.09Å; R59-V93 HydrophobicContact CB-CG1 3.85Å; L62-V93 HydrophobicContact CD1-CG1 3.7Å; D89-V93 WeakPolarHBondContact O-CG2 3.48Å; D89-V93 PolarHBondContact O-N 3.34Å; T90-V93 PolarHBondContact O-N 3.07Å; L91-V93 VanDerWaalsContact C-N 3.34Å; L91-V93 PolarHBondContact O-N 3.06Å; V93-V95 VanDerWaalsContact C-N 3.33Å; V93-V95 PolarHBondContact O-N 3.35Å; V93-E96 WeakPolarHBondContact O-CB 3.45Å; V93-E96 PolarHBondContact O-N 3.11Å; V93-F97 HydrophobicContact CG1-CD2 4.37Å; V93-F97 WeakPolarHBondContact O-CD2 3.04Å; V93-F97 PolarHBondContact O-N 3.49Å
94L98.3Very high97.7Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-57.8-46.1177.8-73.4166.9000111.7L47 L62 P78 A82 T90 L91 F97 G98 A99L47-L94 HydrophobicContact CD1-CD2 4.23Å; L47-L94 HydrophobicContact CD2-CD2 4.28Å; L62-L94 HydrophobicContact CD1-CD2 4.1Å; P78-L94 HydrophobicContact CB-CD1 3.68Å; P78-L94 HydrophobicContact CB-CD2 3.63Å; P78-L94 HydrophobicContact CB-CG 4.32Å; P78-L94 HydrophobicContact CG-CD2 4.46Å; A82-L94 HydrophobicContact CB-CD1 4.06Å; T90-L94 HydrophobicContact CG2-CD1 4.21Å; T90-L94 VanDerWaalsContact O-CG 3.32Å; T90-L94 WeakPolarHBondContact O-CG 3.3Å; T90-L94 PolarHBondContact O-N 2.94Å; L91-L94 PolarHBondContact O-N 3.46Å; L94-F97 PolarHBondContact O-N 2.58Å; L94-G98 PolarHBondContact O-N 3.32Å; L94-A99 VanDerWaalsContact C-CB 3.43Å; L94-A99 HydrophobicContact CB-CB 3.77Å; L94-A99 WeakPolarHBondContact O-CB 3.39Å; L94-A99 PolarHBondContact O-N 2.98Å
95V98.3Very high97.7Very high37 Ų3749.6 Ų49.622%0.22426%0.259CS..Hα-helixtrans-67.4-39179.11720000112.1L91 R92 V93 F97 G98 V101 F126 L130L91-V95 HydrophobicContact CD1-CG2 4.43Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.93Å; R92-V95 PolarHBondContact O-N 3.08Å; V93-V95 VanDerWaalsContact C-N 3.33Å; V93-V95 PolarHBondContact O-N 3.35Å; V95-F97 PolarHBondContact O-N 3.27Å; V95-G98 PolarHBondContact O-N 3.13Å; V95-V101 HydrophobicContact CG2-CG1 3.66Å; V95-F126 HydrophobicContact CB-CE1 4.24Å; V95-F126 HydrophobicContact CB-CZ 4.07Å; V95-F126 HydrophobicContact CG1-CZ 4.19Å; V95-F126 HydrophobicContact CG2-CE1 3.89Å; V95-F126 HydrophobicContact CG2-CZ 4.21Å; V95-L130 HydrophobicContact CG1-CD1 4.07Å
96E98.3Very high97.8Very high114 Ų11453.6 Ų53.653%0.53327%0.274SS..Hα-helixtrans-54.9-36.5174.7-174.6-174158.300111.6R59 R92 V93R59-E96 IonicContact CZ-OE1 3.63Å; R59-E96 IonicContact CZ-OE2 3.55Å; R59-E96 IonicContact NH1-OE1 3.54Å; R59-E96 PolarHBondContact NH1-OE1 3.04Å; R59-E96 IonicContact NH1-OE2 3.77Å; R59-E96 PolarHBondContact NH1-OE2 2.65Å; R59-E96 IonicContact NH2-OE1 2.8Å; R59-E96 IonicContact NH2-OE2 3.57Å; R59-E96 PolarHBondContact NH2-OE2 3.12Å; R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 PolarHBondContact O-N 2.72Å; V93-E96 WeakPolarHBondContact O-CB 3.45Å; V93-E96 PolarHBondContact O-N 3.11Å
97F98.4Very high97.8Very high68 Ų6855.3 Ų55.330%0.29828%0.281SS..THydrogen-bonded Turntrans-92.510.1177.6-76.2-97.6000114.1R59 L62 E63 P68 V93 L94 V95R59-F97 HydrophobicContact CG-CE2 4.39Å; L62-F97 HydrophobicContact CB-CB 4.01Å; L62-F97 HydrophobicContact CB-CD1 3.56Å; L62-F97 HydrophobicContact CB-CD2 4.01Å; L62-F97 HydrophobicContact CB-CE1 3.97Å; L62-F97 HydrophobicContact CB-CE2 4.39Å; L62-F97 HydrophobicContact CB-CG 3.58Å; L62-F97 HydrophobicContact CB-CZ 4.37Å; L62-F97 HydrophobicContact CD1-CB 3.98Å; L62-F97 HydrophobicContact CD1-CD2 4.01Å; L62-F97 HydrophobicContact CD1-CG 4.03Å; L62-F97 HydrophobicContact CD2-CB 4.15Å; L62-F97 HydrophobicContact CG-CB 4.27Å; L62-F97 HydrophobicContact CG-CG 4.28Å; E63-F97 HydrophobicContact CG-CE1 4.07Å; E63-F97 HydrophobicContact CG-CZ 3.68Å; P68-F97 WeakPolarHBondContact CG-O 3.31Å; V93-F97 HydrophobicContact CG1-CD2 4.37Å; V93-F97 WeakPolarHBondContact O-CD2 3.04Å; V93-F97 PolarHBondContact O-N 3.49Å; L94-F97 PolarHBondContact O-N 2.58Å; V95-F97 PolarHBondContact O-N 3.27Å
98G97.6Very high97.8Very high46 Ų4651.7 Ų51.747%0.47427%0.27SS..THydrogen-bonded Turntrans93.122.2172.200000115.6N69 L94 V95 S100N69-G98 PolarHBondContact ND2-O 3.48Å; L94-G98 PolarHBondContact O-N 3.32Å; V95-G98 PolarHBondContact O-N 3.13Å; G98-S100 PolarHBondContact O-N 3.01Å
99A98Very high97.8Very high8 Ų851 Ų517%0.06627%0.266CS..  trans-62.9129.3167.700000111P68 L94P68-A99 HydrophobicContact CB-CB 4.01Å; L94-A99 VanDerWaalsContact C-CB 3.43Å; L94-A99 HydrophobicContact CB-CB 3.77Å; L94-A99 WeakPolarHBondContact O-CB 3.39Å; L94-A99 PolarHBondContact O-N 2.98Å
100S97.4Very high97.8Very high37 Ų3746.1 Ų46.126%0.25924%0.239SC..  trans-81.1122.9176.91730000111.2N69 G98 N102 R103N69-S100 WeakPolarHBondContact OD1-CB 3.41Å; N69-S100 PolarHBondContact OD1-N 3.35Å; G98-S100 PolarHBondContact O-N 3.01Å; S100-N102 PolarHBondContact OG-N 2.8Å; S100-R103 WeakPolarHBondContact OG-CG 3.43Å; S100-R103 PolarHBondContact OG-N 3.15Å
101V97.9Very high97.8Very high9 Ų946 Ų466%0.05524%0.239CC..SBendtrans-91.8-3.2174.1-58.20000113.4V95 P111 L127 L130V95-V101 HydrophobicContact CG2-CG1 3.66Å; V101-P111 WeakPolarHBondContact O-CD 3.28Å; V101-L127 HydrophobicContact CB-CD2 3.9Å; V101-L127 HydrophobicContact CG1-CD2 3.52Å; V101-L130 HydrophobicContact CG2-CB 3.83Å
102N97.7Very high97.8Very high73 Ų7346 Ų4639%0.3924%0.239SC..SBendtrans-111.18.7-179.3-70.8-51.5000113.6S100 P104 L130 S131 N132S100-N102 PolarHBondContact OG-N 2.8Å; N102-P104 WeakPolarHBondContact O-CD 3.41Å; N102-L130 PolarHBondContact ND2-O 2.88Å; N102-S131 VanDerWaalsContact OD1-CA 3.31Å; N102-S131 WeakPolarHBondContact OD1-CA 3.35Å; N102-N132 PolarHBondContact OD1-N 3.48Å
103R96.9Very high97.8Very high150 Ų15039.8 Ų39.857%0.56622%0.215SC*.  trans-91.2114.4174.2-77-103.1-77.2-139.9-6107.9H80 S100H80-R103 PolarHBondContact CE1-O 3.11Å; H80-R103 VanDerWaalsContact CE1-O 3.24Å; S100-R103 WeakPolarHBondContact OG-CG 3.43Å; S100-R103 PolarHBondContact OG-N 3.15Å
104P97.5Very high97.7Very high57 Ų5739.5 Ų39.537%0.3721%0.214SC..  trans-75.3151.6178.930.1-33.7000111.5N102 T109 L110N102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-T109 WeakPolarHBondContact CA-O 3.2Å; P104-L110 HydrophobicContact CB-CD2 3.93Å
105D97.6Very high97.6Very high10 Ų1039.5 Ų39.55%0.05321%0.214CC..  trans-70.3180162.580.13000111.2R74 V76 T107 G108 T109R74-D105 WeakPolarHBondContact O-CB 3.32Å; V76-D105 HydrophobicContact CG2-CB 4.35Å; D105-T107 PolarHBondContact O-N 3Å; D105-T107 VanDerWaalsContact OD1-CA 3.3Å; D105-T107 WeakPolarHBondContact OD1-CA 3.45Å; D105-T107 WeakPolarHBondContact OD1-CB 3.32Å; D105-T107 PolarHBondContact OD1-N 2.6Å; D105-T107 PolarHBondContact OD1-OG1 3.31Å; D105-T107 PolarHBondContact OD2-OG1 3.4Å; D105-G108 PolarHBondContact O-N 3.3Å; D105-G108 PolarHBondContact OD1-N 3.36Å; D105-T109 PolarHBondContact N-O 3.12Å; D105-T109 WeakPolarHBondContact OD1-CB 3.25Å; D105-T109 PolarHBondContact OD1-N 3.08Å
106H97.4Very high97.5Very high139 Ų13937.8 Ų37.864%0.64420%0.203SC*.THydrogen-bonded Turntrans-65-6.6-178.9-65.4174.2000114.4R73 R74R73-H106 PolarHBondContact O-CE1 3.33Å; R73-H106 PolarHBondContact O-ND1 3.08Å; R73-H106 VanDerWaalsContact O-ND1 3.15Å; R74-H106 VanDerWaalsContact C-CG 3.45Å; R74-H106 WeakPolarHBondContact CA-ND1 3.44Å; R74-H106 WeakPolarHBondContact O-CB 3.19Å; R74-H106 VanDerWaalsContact O-CG 3.23Å; R74-H106 PolarHBondContact O-N 3.01Å
107T96.3Very high97.3Very high49 Ų4938.2 Ų38.230%0.30120%0.2SC..THydrogen-bonded Turntrans-104.214.3175.169.60000112.7D105 T109 T138D105-T107 PolarHBondContact O-N 3Å; D105-T107 VanDerWaalsContact OD1-CA 3.3Å; D105-T107 WeakPolarHBondContact OD1-CA 3.45Å; D105-T107 WeakPolarHBondContact OD1-CB 3.32Å; D105-T107 PolarHBondContact OD1-N 2.6Å; D105-T107 PolarHBondContact OD1-OG1 3.31Å; D105-T107 PolarHBondContact OD2-OG1 3.4Å; T107-T109 PolarHBondContact O-N 3.38Å; T107-T109 VanDerWaalsContact O-N 3.15Å; T107-T109 WeakPolarHBondContact OG1-CB 3.46Å; T107-T109 PolarHBondContact OG1-OG1 3.22Å; T107-T138 WeakPolarHBondContact CA-OG1 3.44Å; T107-T138 WeakPolarHBondContact O-CB 3.42Å; T107-T138 PolarHBondContact O-N 3.26Å; T107-T138 PolarHBondContact O-OG1 2.88Å
108G97.1Very high97.2Very high15 Ų1538.6 Ų38.616%0.15520%0.203CC..SBendtrans68.78-17500000113D105 L110 H135D105-G108 PolarHBondContact O-N 3.3Å; D105-G108 PolarHBondContact OD1-N 3.36Å; G108-L110 PolarHBondContact O-N 3.47Å; G108-H135 PolarHBondContact O-CD2 3.4Å; G108-H135 VanDerWaalsContact O-CD2 3.28Å; G108-H135 PolarHBondContact O-NE2 2.88Å; G108-H135 VanDerWaalsContact O-NE2 3.14Å
109T98.1Very high97Very high13 Ų1337.5 Ų37.58%0.0819%0.191CC..  trans-82.8119.4-174.9-620000108.6H80 P104 D105 T107 H113 I114H80-T109 PolarHBondContact NE2-O 2.9Å; P104-T109 WeakPolarHBondContact CA-O 3.2Å; D105-T109 PolarHBondContact N-O 3.12Å; D105-T109 WeakPolarHBondContact OD1-CB 3.25Å; D105-T109 PolarHBondContact OD1-N 3.08Å; T107-T109 PolarHBondContact O-N 3.38Å; T107-T109 VanDerWaalsContact O-N 3.15Å; T107-T109 WeakPolarHBondContact OG1-CB 3.46Å; T107-T109 PolarHBondContact OG1-OG1 3.22Å; T109-H113 HydrophobicContact CG2-CB 3.84Å; T109-I114 HydrophobicContact CG2-CD1 4.12Å; T109-I114 HydrophobicContact CG2-CG1 3.59Å
110L98.4Very high96.9Very high1 Ų141 Ų411%0.00520%0.203CC..  trans-81159164.7-56.4179.6000111.9P104 G108 I112 H113 N132 H135P104-L110 HydrophobicContact CB-CD2 3.93Å; G108-L110 PolarHBondContact O-N 3.47Å; L110-I112 HydrophobicContact CB-CG2 4.18Å; L110-I112 PolarHBondContact O-N 3.26Å; L110-I112 VanDerWaalsContact O-N 3.13Å; L110-H113 VanDerWaalsContact CB-ND1 3.33Å; L110-H113 WeakPolarHBondContact CB-ND1 3.45Å; L110-H113 PolarHBondContact N-ND1 3.4Å; L110-H113 WeakPolarHBondContact O-CB 3.45Å; L110-H113 PolarHBondContact O-N 3.41Å; L110-N132 HydrophobicContact CD1-CB 4.46Å; L110-H135 HydrophobicContact CD1-CB 3.74Å; L110-H135 HydrophobicContact CG-CB 4.47Å
111P98.4Very high96.8Very high0 Ų044.5 Ų44.50%021%0.211CC..Hα-helixtrans-50.3-38172.9-29.637.2000114.1A79 A83 V101 H113 I114 A115 L127A79-P111 HydrophobicContact CB-CB 4.5Å; A79-P111 HydrophobicContact CB-CG 3.92Å; A83-P111 HydrophobicContact CB-CB 3.96Å; A83-P111 VanDerWaalsContact CB-O 3.27Å; A83-P111 WeakPolarHBondContact CB-O 3.24Å; V101-P111 WeakPolarHBondContact O-CD 3.28Å; P111-H113 PolarHBondContact O-N 3.28Å; P111-I114 WeakPolarHBondContact O-CB 3.4Å; P111-I114 PolarHBondContact O-N 3.44Å; P111-A115 PolarHBondContact O-N 2.9Å; P111-L127 HydrophobicContact CB-CD1 3.96Å
112I97.8Very high96.7Very high0 Ų047.5 Ų47.50%023%0.227CC..Hα-helixtrans-66.6-33.5179.8-164.5172.7000113.4L110 I114 A115 V116 L127 A128 L133 A143 L161L110-I112 HydrophobicContact CB-CG2 4.18Å; L110-I112 PolarHBondContact O-N 3.26Å; L110-I112 VanDerWaalsContact O-N 3.13Å; I112-I114 PolarHBondContact O-N 2.67Å; I112-A115 PolarHBondContact O-N 3.21Å; I112-V116 HydrophobicContact CG1-CG2 4.38Å; I112-V116 WeakPolarHBondContact O-CB 3.33Å; I112-V116 WeakPolarHBondContact O-CG2 3.5Å; I112-V116 PolarHBondContact O-N 2.93Å; I112-L127 HydrophobicContact CB-CB 4.16Å; I112-L127 HydrophobicContact CB-CD1 4.17Å; I112-L127 HydrophobicContact CD1-CB 4.17Å; I112-L127 HydrophobicContact CG1-CB 4.09Å; I112-A128 HydrophobicContact CD1-CB 4.27Å; I112-L133 HydrophobicContact CD1-CD2 3.31Å; I112-A143 HydrophobicContact CG1-CB 4.44Å; I112-A143 HydrophobicContact CG2-CB 4.08Å; I112-L161 HydrophobicContact CD1-CD2 4.03Å
113H97.5Very high96.7Very high2 Ų244 Ų441%0.00921%0.208CC..Hα-helixtrans-61.9-38.9174.9-63.3101.5000110.9T109 L110 P111 R117 H135 A143 L146T109-H113 HydrophobicContact CG2-CB 3.84Å; L110-H113 VanDerWaalsContact CB-ND1 3.33Å; L110-H113 WeakPolarHBondContact CB-ND1 3.45Å; L110-H113 PolarHBondContact N-ND1 3.4Å; L110-H113 WeakPolarHBondContact O-CB 3.45Å; L110-H113 PolarHBondContact O-N 3.41Å; P111-H113 PolarHBondContact O-N 3.28Å; H113-R117 WeakPolarHBondContact O-CB 3.3Å; H113-R117 PolarHBondContact O-N 2.99Å; H113-H135 PolarHBondContact CE1-O 2.98Å; H113-H135 VanDerWaalsContact CE1-O 3.31Å; H113-H135 PolarHBondContact NE2-O 2.87Å; H113-A143 PolarHBondContact CD2-N 3.39Å; H113-A143 PolarHBondContact NE2-N 2.96Å; H113-L146 HydrophobicContact CB-CD1 3.64Å
114I96.9Very high96.7Very high2 Ų236.9 Ų36.91%0.0118%0.181CC..Hα-helixtrans-65.5-51.7176-59.9173.3000109.6H80 A83 R84 T109 P111 I112 V116 R117 E118H80-I114 HydrophobicContact CB-CD1 3.83Å; A83-I114 HydrophobicContact CB-CB 4.4Å; R84-I114 HydrophobicContact CB-CG2 3.64Å; R84-I114 HydrophobicContact CG-CG2 3.93Å; T109-I114 HydrophobicContact CG2-CD1 4.12Å; T109-I114 HydrophobicContact CG2-CG1 3.59Å; P111-I114 WeakPolarHBondContact O-CB 3.4Å; P111-I114 PolarHBondContact O-N 3.44Å; I112-I114 PolarHBondContact O-N 2.67Å; I114-V116 PolarHBondContact O-N 3.25Å; I114-R117 PolarHBondContact O-N 3.39Å; I114-R117 VanDerWaalsContact O-N 3.08Å; I114-E118 HydrophobicContact CG2-CG 4.11Å; I114-E118 WeakPolarHBondContact O-CG 3.42Å; I114-E118 PolarHBondContact O-N 2.74Å
115A96.9Very high96.6Very high0 Ų038.2 Ų38.20%018%0.182CC..Hα-helixtrans-56.3-40.2-179.200000112.5A83 P111 I112 G119 Y120 V123 I124 L127A83-A115 HydrophobicContact CB-CB 4.31Å; P111-A115 PolarHBondContact O-N 2.9Å; I112-A115 PolarHBondContact O-N 3.21Å; A115-G119 PolarHBondContact O-N 3.07Å; A115-Y120 PolarHBondContact O-N 3.21Å; A115-V123 HydrophobicContact CB-CB 4.1Å; A115-V123 HydrophobicContact CB-CG1 3.46Å; A115-V123 VanDerWaalsContact CB-CG1 3.46Å; A115-I124 HydrophobicContact CB-CG1 3.86Å; A115-L127 HydrophobicContact CB-CD1 4.33Å
116V96.3Very high96.6Very high0 Ų039.8 Ų39.80%019%0.189CC..Hα-helixtrans-64.3-49.2174.2169.20000111.7I112 I114 E118 G119 I124 A143 L146 A147 C153 L161I112-V116 HydrophobicContact CG1-CG2 4.38Å; I112-V116 WeakPolarHBondContact O-CB 3.33Å; I112-V116 WeakPolarHBondContact O-CG2 3.5Å; I112-V116 PolarHBondContact O-N 2.93Å; I114-V116 PolarHBondContact O-N 3.25Å; V116-E118 VanDerWaalsContact C-N 3.29Å; V116-E118 PolarHBondContact O-N 2.88Å; V116-G119 PolarHBondContact O-N 3.19Å; V116-G119 VanDerWaalsContact O-N 3.11Å; V116-I124 HydrophobicContact CG2-CD1 4.25Å; V116-I124 HydrophobicContact CG2-CG1 4.04Å; V116-I124 HydrophobicContact CG2-CG2 4.43Å; V116-A143 WeakPolarHBondContact CG1-O 3.39Å; V116-A143 HydrophobicContact CG2-CB 4.42Å; V116-L146 HydrophobicContact CG1-CB 3.75Å; V116-A147 VanDerWaalsContact CG1-CA 3.49Å; V116-A147 HydrophobicContact CG1-CB 3.64Å; V116-A147 VanDerWaalsContact CG1-N 3.33Å; V116-C153 PolarHBondContact O-SG 3.23Å; V116-L161 HydrophobicContact CG2-CD1 3.92Å
117R94.4Very high96.6Very high123 Ų12333.2 Ų33.246%0.46416%0.158SC..Hα-helixtrans-60.1-41.4179.7-174.9176.564.3-150.6-5.6112.1H113 I114 G119 S152H113-R117 WeakPolarHBondContact O-CB 3.3Å; H113-R117 PolarHBondContact O-N 2.99Å; I114-R117 PolarHBondContact O-N 3.39Å; I114-R117 VanDerWaalsContact O-N 3.08Å; R117-G119 VanDerWaalsContact C-N 3.33Å; R117-S152 PolarHBondContact O-OG 3.2Å
118E94.4Very high96.6Very high76 Ų7630.9 Ų30.936%0.35514%0.144SC..Hα-helixtrans-79.4-14.2179-52.9-49.8134.700113.1I114 V116 Y120I114-E118 HydrophobicContact CG2-CG 4.11Å; I114-E118 WeakPolarHBondContact O-CG 3.42Å; I114-E118 PolarHBondContact O-N 2.74Å; V116-E118 VanDerWaalsContact C-N 3.29Å; V116-E118 PolarHBondContact O-N 2.88Å; E118-Y120 HydrophobicContact CB-CD2 3.55Å; E118-Y120 HydrophobicContact CB-CE2 3.35Å; E118-Y120 HydrophobicContact CB-CG 4.37Å; E118-Y120 HydrophobicContact CG-CD2 4.38Å; E118-Y120 HydrophobicContact CG-CE2 3.97Å
119G94.2Very high96.5Very high23 Ų2333.1 Ų33.124%0.23716%0.156CC..THydrogen-bonded Turntrans78.920.717700000115.1A115 V116 R117 R121A115-G119 PolarHBondContact O-N 3.07Å; V116-G119 PolarHBondContact O-N 3.19Å; V116-G119 VanDerWaalsContact O-N 3.11Å; R117-G119 VanDerWaalsContact C-N 3.33Å; G119-R121 PolarHBondContact O-N 3.33Å
120Y95.5Very high96.3Very high81 Ų8136 Ų3632%0.31817%0.17SC..  trans-79.387.2-179.2-62.1-50.2000111.8A83 R84 G86 A115 E118 D122 V123 I124A83-Y120 WeakPolarHBondContact O-CD2 3.44Å; R84-Y120 WeakPolarHBondContact O-CE2 3.35Å; G86-Y120 VanDerWaalsContact CA-CD2 3.41Å; A115-Y120 PolarHBondContact O-N 3.21Å; E118-Y120 HydrophobicContact CB-CD2 3.55Å; E118-Y120 HydrophobicContact CB-CE2 3.35Å; E118-Y120 HydrophobicContact CB-CG 4.37Å; E118-Y120 HydrophobicContact CG-CD2 4.38Å; E118-Y120 HydrophobicContact CG-CE2 3.97Å; Y120-D122 VanDerWaalsContact C-N 3.34Å; Y120-D122 PolarHBondContact O-N 3.05Å; Y120-V123 PolarHBondContact O-N 3.43Å; Y120-I124 WeakPolarHBondContact O-CD1 3.37Å; Y120-I124 VanDerWaalsContact O-CG1 3.24Å; Y120-I124 WeakPolarHBondContact O-CG1 3.4Å; Y120-I124 PolarHBondContact O-N 3.07Å
121R94.9Very high96.2Very high112 Ų11236 Ų3642%0.42317%0.171SC..Hα-helixtrans-53.6-44.3-174.1179.1174.4176.11512.7113.8G119 I124 E125 D156 V157G119-R121 PolarHBondContact O-N 3.33Å; R121-I124 PolarHBondContact O-N 2.8Å; R121-E125 HydrophobicContact CG-CG 4.32Å; R121-E125 WeakPolarHBondContact CG-OE1 3.49Å; R121-E125 IonicContact CZ-OE1 3.87Å; R121-E125 IonicContact NE-OE1 3.85Å; R121-E125 PolarHBondContact NE-OE1 3.16Å; R121-E125 IonicContact NH2-OE1 3.8Å; R121-E125 PolarHBondContact NH2-OE1 3.03Å; R121-E125 WeakPolarHBondContact O-CB 3.36Å; R121-E125 VanDerWaalsContact O-CG 3.31Å; R121-E125 WeakPolarHBondContact O-CG 3.39Å; R121-E125 PolarHBondContact O-N 3.41Å; R121-D156 IonicContact CZ-OD2 3.14Å; R121-D156 IonicContact NH1-OD2 2.67Å; R121-D156 PolarHBondContact NH1-OD2 3.44Å; R121-D156 IonicContact NH2-OD2 3.61Å; R121-V157 HydrophobicContact CB-CG2 4.49Å; R121-V157 HydrophobicContact CG-CG2 4.27Å
122D96.1Very high96Very high71 Ų7139.8 Ų39.838%0.3819%0.191SC..Hα-helixtrans-62.4-42.817958.7-23.1000112.7V88 Y120 F126V88-D122 HydrophobicContact CB-CB 4.47Å; V88-D122 HydrophobicContact CG1-CB 4.36Å; V88-D122 WeakPolarHBondContact CG1-OD2 3.39Å; Y120-D122 VanDerWaalsContact C-N 3.34Å; Y120-D122 PolarHBondContact O-N 3.05Å; D122-F126 WeakPolarHBondContact O-CB 3.27Å; D122-F126 PolarHBondContact O-N 3.28Å; D122-F126 VanDerWaalsContact O-N 3.07Å
123V97.8Very high95.9Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-65.2-42.5173.4176.50000111A83 V88 L91 A115 Y120 F126 L127A83-V123 HydrophobicContact CB-CG1 4.12Å; V88-V123 HydrophobicContact CB-CG2 4.03Å; L91-V123 HydrophobicContact CD2-CG1 3.68Å; A115-V123 HydrophobicContact CB-CB 4.1Å; A115-V123 HydrophobicContact CB-CG1 3.46Å; A115-V123 VanDerWaalsContact CB-CG1 3.46Å; Y120-V123 PolarHBondContact O-N 3.43Å; V123-F126 PolarHBondContact O-N 3.41Å; V123-L127 HydrophobicContact CG1-CD1 3.79Å; V123-L127 HydrophobicContact CG1-CG 4.31Å; V123-L127 WeakPolarHBondContact O-CB 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.35Å; V123-L127 PolarHBondContact O-N 3.47Å
124I96.9Very high95.7Very high1 Ų146.3 Ų46.31%0.00522%0.22CC..Hα-helixtrans-62.2-48.4177.2-63.7156.2000110.4A115 V116 Y120 R121 F126 L127 A128 V157 L160 L161A115-I124 HydrophobicContact CB-CG1 3.86Å; V116-I124 HydrophobicContact CG2-CD1 4.25Å; V116-I124 HydrophobicContact CG2-CG1 4.04Å; V116-I124 HydrophobicContact CG2-CG2 4.43Å; Y120-I124 WeakPolarHBondContact O-CD1 3.37Å; Y120-I124 VanDerWaalsContact O-CG1 3.24Å; Y120-I124 WeakPolarHBondContact O-CG1 3.4Å; Y120-I124 PolarHBondContact O-N 3.07Å; R121-I124 PolarHBondContact O-N 2.8Å; I124-F126 VanDerWaalsContact C-N 3.25Å; I124-F126 PolarHBondContact O-N 3.36Å; I124-L127 PolarHBondContact O-N 3.02Å; I124-A128 WeakPolarHBondContact O-CB 3.3Å; I124-A128 PolarHBondContact O-N 3.05Å; I124-V157 HydrophobicContact CD1-CG1 3.73Å; I124-V157 HydrophobicContact CD1-CG2 4.33Å; I124-V157 HydrophobicContact CG2-CG1 4.05Å; I124-L160 HydrophobicContact CG2-CD2 4.5Å; I124-L161 HydrophobicContact CG2-CD2 3.92Å; I124-L161 HydrophobicContact CG2-CG 4.36Å
125E95.9Very high95.6Very high84 Ų8448.6 Ų48.639%0.39323%0.23SC..Hα-helixtrans-57.3-40.2178.4-78.9179.5-173.700111.4R121 P129 L160R121-E125 HydrophobicContact CG-CG 4.32Å; R121-E125 WeakPolarHBondContact CG-OE1 3.49Å; R121-E125 IonicContact CZ-OE1 3.87Å; R121-E125 IonicContact NE-OE1 3.85Å; R121-E125 PolarHBondContact NE-OE1 3.16Å; R121-E125 IonicContact NH2-OE1 3.8Å; R121-E125 PolarHBondContact NH2-OE1 3.03Å; R121-E125 WeakPolarHBondContact O-CB 3.36Å; R121-E125 VanDerWaalsContact O-CG 3.31Å; R121-E125 WeakPolarHBondContact O-CG 3.39Å; R121-E125 PolarHBondContact O-N 3.41Å; E125-P129 VanDerWaalsContact O-CD 3.3Å; E125-P129 WeakPolarHBondContact O-CD 3.33Å; E125-L160 HydrophobicContact CG-CD1 3.61Å
126F97.5Very high95.6Very high44 Ų4451.6 Ų51.619%0.19325%0.25CC..Hα-helixtrans-69.7-44.6175.5179.5-107.1000113.2V88 L91 R92 V95 D122 V123 I124 L130V88-F126 HydrophobicContact CG2-CB 3.91Å; V88-F126 HydrophobicContact CG2-CG 4.27Å; L91-F126 HydrophobicContact CD2-CD1 3.83Å; L91-F126 HydrophobicContact CD2-CE1 4.28Å; L91-F126 HydrophobicContact CG-CD1 3.96Å; L91-F126 HydrophobicContact CG-CE1 3.91Å; R92-F126 HydrophobicContact CB-CE2 4.48Å; R92-F126 HydrophobicContact CB-CZ 4.26Å; R92-F126 HydrophobicContact CG-CD1 4.36Å; R92-F126 HydrophobicContact CG-CD2 3.86Å; R92-F126 HydrophobicContact CG-CE1 4.11Å; R92-F126 HydrophobicContact CG-CE2 3.6Å; R92-F126 HydrophobicContact CG-CG 4.24Å; R92-F126 HydrophobicContact CG-CZ 3.72Å; V95-F126 HydrophobicContact CB-CE1 4.24Å; V95-F126 HydrophobicContact CB-CZ 4.07Å; V95-F126 HydrophobicContact CG1-CZ 4.19Å; V95-F126 HydrophobicContact CG2-CE1 3.89Å; V95-F126 HydrophobicContact CG2-CZ 4.21Å; D122-F126 WeakPolarHBondContact O-CB 3.27Å; D122-F126 PolarHBondContact O-N 3.28Å; D122-F126 VanDerWaalsContact O-N 3.07Å; V123-F126 PolarHBondContact O-N 3.41Å; I124-F126 VanDerWaalsContact C-N 3.25Å; I124-F126 PolarHBondContact O-N 3.36Å; F126-L130 HydrophobicContact CE1-CD1 4.06Å; F126-L130 HydrophobicContact CE2-CD1 4.25Å; F126-L130 HydrophobicContact CZ-CD1 3.86Å
127L97.3Very high95.5Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-78.2-31.9-175.2-75.9179.5000114A83 L91 V101 P111 I112 A115 V123 I124 L130 S131A83-L127 HydrophobicContact CB-CD1 4.29Å; L91-L127 HydrophobicContact CD1-CD2 4.4Å; L91-L127 HydrophobicContact CD2-CD1 3.89Å; L91-L127 HydrophobicContact CD2-CD2 3.81Å; L91-L127 HydrophobicContact CD2-CG 3.7Å; L91-L127 HydrophobicContact CG-CD2 4.41Å; V101-L127 HydrophobicContact CB-CD2 3.9Å; V101-L127 HydrophobicContact CG1-CD2 3.52Å; P111-L127 HydrophobicContact CB-CD1 3.96Å; I112-L127 HydrophobicContact CB-CB 4.16Å; I112-L127 HydrophobicContact CB-CD1 4.17Å; I112-L127 HydrophobicContact CD1-CB 4.17Å; I112-L127 HydrophobicContact CG1-CB 4.09Å; A115-L127 HydrophobicContact CB-CD1 4.33Å; V123-L127 HydrophobicContact CG1-CD1 3.79Å; V123-L127 HydrophobicContact CG1-CG 4.31Å; V123-L127 WeakPolarHBondContact O-CB 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.35Å; V123-L127 PolarHBondContact O-N 3.47Å; I124-L127 PolarHBondContact O-N 3.02Å; L127-L130 CarbonylContact O-C 3.59Å; L127-L130 PolarHBondContact O-N 3.32Å; L127-S131 VanDerWaalsContact O-CB 3.26Å; L127-S131 WeakPolarHBondContact O-CB 3.46Å; L127-S131 PolarHBondContact O-N 3.01Å; L127-S131 PolarHBondContact O-OG 3.22Å
128A95.6Very high95.6Very high1 Ų152 Ų521%0.00827%0.265CS..Hα-helixtrans-51.4-49.6-173.700000114.2I112 I124 L130 L160 L161 Q164I112-A128 HydrophobicContact CD1-CB 4.27Å; I124-A128 WeakPolarHBondContact O-CB 3.3Å; I124-A128 PolarHBondContact O-N 3.05Å; A128-L130 VanDerWaalsContact C-N 3.29Å; A128-L130 PolarHBondContact O-N 2.91Å; A128-L160 HydrophobicContact CB-CD2 3.8Å; A128-L161 HydrophobicContact CB-CD2 3.86Å; A128-Q164 HydrophobicContact CB-CG 4.38Å
129P95Very high95.5Very high61 Ų6152.9 Ų52.940%0.39628%0.279SS..Hα-helixtrans-67.2-30.8178.524.6-33.4000113.1E125 K168E125-P129 VanDerWaalsContact O-CD 3.3Å; E125-P129 WeakPolarHBondContact O-CD 3.33Å; P129-K168 PolarHBondContact O-NZ 2.71Å
130L95.3Very high95.5Very high73 Ų7354.1 Ų54.138%0.38229%0.292SS..Hα-helixtrans-86.4-19.6-174.1-55.7177.6000113.6V95 V101 N102 F126 L127 A128V95-L130 HydrophobicContact CG1-CD1 4.07Å; V101-L130 HydrophobicContact CG2-CB 3.83Å; N102-L130 PolarHBondContact ND2-O 2.88Å; F126-L130 HydrophobicContact CE1-CD1 4.06Å; F126-L130 HydrophobicContact CE2-CD1 4.25Å; F126-L130 HydrophobicContact CZ-CD1 3.86Å; L127-L130 CarbonylContact O-C 3.59Å; L127-L130 PolarHBondContact O-N 3.32Å; A128-L130 VanDerWaalsContact C-N 3.29Å; A128-L130 PolarHBondContact O-N 2.91Å
131S95.5Very high95.5Very high2 Ų253.3 Ų53.31%0.01429%0.291CS..SBendtrans-98.9155.1-170.6-55.10000113N102 L127 L133N102-S131 VanDerWaalsContact OD1-CA 3.31Å; N102-S131 WeakPolarHBondContact OD1-CA 3.35Å; L127-S131 VanDerWaalsContact O-CB 3.26Å; L127-S131 WeakPolarHBondContact O-CB 3.46Å; L127-S131 PolarHBondContact O-N 3.01Å; L127-S131 PolarHBondContact O-OG 3.22Å; S131-L133 PolarHBondContact O-N 3.46Å; S131-L133 VanDerWaalsContact O-N 3.16Å
132N94.8Very high95.6Very high79 Ų7949.2 Ų49.242%0.42228%0.279SS..  trans-80.288.3167.8-1776000109.7N102 L110 K134 H135N102-N132 PolarHBondContact OD1-N 3.48Å; L110-N132 HydrophobicContact CD1-CB 4.46Å; N132-K134 PolarHBondContact O-N 3.46Å; N132-K134 VanDerWaalsContact O-N 3.08Å; N132-K134 PolarHBondContact OD1-N 3.29Å; N132-H135 HydrophobicContact CB-CB 4.31Å; N132-H135 WeakPolarHBondContact O-CB 3.4Å; N132-H135 PolarHBondContact O-N 3.35Å; N132-H135 VanDerWaalsContact O-N 3.1Å
133L94.3Very high95.4Very high4 Ų445.8 Ų45.82%0.02126%0.261CS..THydrogen-bonded Turntrans-60.5-16.3179.5-57.8-173.1000114.2I112 S131 L161 Q164 L165I112-L133 HydrophobicContact CD1-CD2 3.31Å; S131-L133 PolarHBondContact O-N 3.46Å; S131-L133 VanDerWaalsContact O-N 3.16Å; L133-L161 HydrophobicContact CD1-CD2 4.35Å; L133-L161 HydrophobicContact CD2-CD2 3.97Å; L133-Q164 HydrophobicContact CD1-CB 3.62Å; L133-L165 HydrophobicContact CB-CD2 3.61Å; L133-L165 HydrophobicContact CB-CG 4.1Å; L133-L165 HydrophobicContact CD1-CD2 4.33Å; L133-L165 HydrophobicContact CD1-CG 4.13Å
134K94.4Very high95.2Very high136 Ų13646.2 Ų46.259%0.59126%0.263SS*.THydrogen-bonded Turntrans-94.2-3179.4-61.4-172.2176.9-176.90113.6N132 P136 L165N132-K134 PolarHBondContact O-N 3.46Å; N132-K134 VanDerWaalsContact O-N 3.08Å; N132-K134 PolarHBondContact OD1-N 3.29Å; K134-P136 VanDerWaalsContact O-CD 3.31Å; K134-P136 WeakPolarHBondContact O-CD 3.48Å; K134-L165 HydrophobicContact CD-CD2 4.28Å; K134-L165 HydrophobicContact CG-CD2 3.54Å
135H95.3Very high95.1Very high50 Ų5049.2 Ų49.223%0.23128%0.279CS..  trans-72.2121.2178.7-17674.7000109.9G108 L110 H113 N132G108-H135 PolarHBondContact O-CD2 3.4Å; G108-H135 VanDerWaalsContact O-CD2 3.28Å; G108-H135 PolarHBondContact O-NE2 2.88Å; G108-H135 VanDerWaalsContact O-NE2 3.14Å; L110-H135 HydrophobicContact CD1-CB 3.74Å; L110-H135 HydrophobicContact CG-CB 4.47Å; H113-H135 PolarHBondContact CE1-O 2.98Å; H113-H135 VanDerWaalsContact CE1-O 3.31Å; H113-H135 PolarHBondContact NE2-O 2.87Å; N132-H135 HydrophobicContact CB-CB 4.31Å; N132-H135 WeakPolarHBondContact O-CB 3.4Å; N132-H135 PolarHBondContact O-N 3.35Å; N132-H135 VanDerWaalsContact O-N 3.1Å
136P96.3Very high95Very high63 Ų6346.2 Ų46.241%0.40927%0.266SS..  trans-82.4143.117332.8-32.4000111K134 E141K134-P136 VanDerWaalsContact O-CD 3.31Å; K134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-E141 WeakPolarHBondContact CA-O 3.34Å
137N94.4Very high94.8Very high20 Ų2044.2 Ų44.211%0.10726%0.258CS..  trans-73.1-179.1166.571.311.1000111.4S139 G140 E141N137-S139 PolarHBondContact O-N 3.44Å; N137-S139 VanDerWaalsContact OD1-CA 3.32Å; N137-S139 WeakPolarHBondContact OD1-CA 3.35Å; N137-S139 VanDerWaalsContact OD1-CB 3.25Å; N137-S139 WeakPolarHBondContact OD1-CB 3.46Å; N137-S139 PolarHBondContact OD1-N 3.25Å; N137-G140 PolarHBondContact O-N 3.46Å; N137-G140 PolarHBondContact OD1-N 3.48Å; N137-G140 VanDerWaalsContact OD1-N 3.15Å; N137-E141 PolarHBondContact N-O 3.29Å; N137-E141 PolarHBondContact ND2-OE2 3.48Å; N137-E141 PolarHBondContact OD1-N 3.11Å; N137-E141 PolarHBondContact OD1-O 3.02Å
138T95.2Very high94.5Very high112 Ų11252 Ų5269%0.68729%0.287SS*.THydrogen-bonded Turntrans-60.7-23177.2-64.40000114T107 G140T107-T138 WeakPolarHBondContact CA-OG1 3.44Å; T107-T138 WeakPolarHBondContact O-CB 3.42Å; T107-T138 PolarHBondContact O-N 3.26Å; T107-T138 PolarHBondContact O-OG1 2.88Å; T138-G140 PolarHBondContact O-N 3.1Å
139S93.3Very high94.1Very high93 Ų9355.8 Ų55.865%0.6532%0.318SS*.THydrogen-bonded Turntrans-79.5-4.7173.1-51.50000113.3N137 E141N137-S139 PolarHBondContact O-N 3.44Å; N137-S139 VanDerWaalsContact OD1-CA 3.32Å; N137-S139 WeakPolarHBondContact OD1-CA 3.35Å; N137-S139 VanDerWaalsContact OD1-CB 3.25Å; N137-S139 WeakPolarHBondContact OD1-CB 3.46Å; N137-S139 PolarHBondContact OD1-N 3.25Å; S139-E141 VanDerWaalsContact C-N 3.34Å; S139-E141 WeakPolarHBondContact CB-OE2 3.35Å
140G95Very high93.4Very high49 Ų4954.5 Ų54.551%0.50531%0.31SS..SBendtrans83.47.8-17500000114.2N137 T138N137-G140 PolarHBondContact O-N 3.46Å; N137-G140 PolarHBondContact OD1-N 3.48Å; N137-G140 VanDerWaalsContact OD1-N 3.15Å; T138-G140 PolarHBondContact O-N 3.1Å
141E94.8Very high92.6Very high64 Ų6457.2 Ų57.230%0.29934%0.336SS..  trans-93.2129-175.6-56.8166.4109.400110.5P136 N137 S139 D145 L146P136-E141 WeakPolarHBondContact CA-O 3.34Å; N137-E141 PolarHBondContact N-O 3.29Å; N137-E141 PolarHBondContact ND2-OE2 3.48Å; N137-E141 PolarHBondContact OD1-N 3.11Å; N137-E141 PolarHBondContact OD1-O 3.02Å; S139-E141 VanDerWaalsContact C-N 3.34Å; S139-E141 WeakPolarHBondContact CB-OE2 3.35Å; E141-D145 HydrophobicContact CB-CB 4.24Å; E141-L146 HydrophobicContact CB-CD2 3.95Å; E141-L146 HydrophobicContact CB-CG 4.01Å; E141-L146 HydrophobicContact CG-CD2 4.33Å; E141-L146 WeakPolarHBondContact OE1-CD2 3.31Å
142T96Very high91.7Very high26 Ų2659.5 Ų59.516%0.1635%0.352CS..  trans-81.5171166.868.60000111.2V144 D145 L146T142-V144 PolarHBondContact O-N 3.07Å; T142-V144 PolarHBondContact OG1-N 3.06Å; T142-D145 VanDerWaalsContact CB-OD2 3.31Å; T142-D145 WeakPolarHBondContact CB-OD2 3.18Å; T142-D145 WeakPolarHBondContact CG2-OD2 3.47Å; T142-D145 PolarHBondContact N-OD2 3.21Å; T142-D145 PolarHBondContact O-N 2.97Å; T142-D145 VanDerWaalsContact O-N 3.17Å; T142-D145 PolarHBondContact OG1-N 3.43Å; T142-D145 PolarHBondContact OG1-OD2 3.47Å; T142-L146 WeakPolarHBondContact O-CG 3.42Å; T142-L146 PolarHBondContact O-N 2.89Å
143A93Very high91Very high0 Ų056.6 Ų56.60%034%0.337CS..Hα-helixtrans-56.8-33.7173.200000112.7I112 H113 V116 A147I112-A143 HydrophobicContact CG1-CB 4.44Å; I112-A143 HydrophobicContact CG2-CB 4.08Å; H113-A143 PolarHBondContact CD2-N 3.39Å; H113-A143 PolarHBondContact NE2-N 2.96Å; V116-A143 WeakPolarHBondContact CG1-O 3.39Å; V116-A143 HydrophobicContact CG2-CB 4.42Å; A143-A147 WeakPolarHBondContact O-CB 3.48Å; A143-A147 PolarHBondContact O-N 3.38Å; A143-A147 VanDerWaalsContact O-N 3.12Å
144V93.9Very high90.5Very high8 Ų859.4 Ų59.45%0.04836%0.355CS..Hα-helixtrans-74.1-40.4177.3-177.60000111.3T142 L146 A147 R148 L161 E162 L165T142-V144 PolarHBondContact O-N 3.07Å; T142-V144 PolarHBondContact OG1-N 3.06Å; V144-L146 VanDerWaalsContact C-N 3.31Å; V144-L146 PolarHBondContact O-N 3.4Å; V144-A147 PolarHBondContact O-N 2.95Å; V144-A147 VanDerWaalsContact O-N 3.16Å; V144-R148 WeakPolarHBondContact O-CG 3.36Å; V144-R148 PolarHBondContact O-N 3.43Å; V144-L161 HydrophobicContact CG2-CB 3.79Å; V144-E162 HydrophobicContact CG1-CG 3.98Å; V144-L165 HydrophobicContact CG2-CD1 3.71Å
145D94.4Very high90.1Very high65 Ų6557.9 Ų57.935%0.34836%0.359SS..Hα-helixtrans-61.5-43.3177.5-58.1-47.3000110.8E141 T142 A147 R148 A149E141-D145 HydrophobicContact CB-CB 4.24Å; T142-D145 VanDerWaalsContact CB-OD2 3.31Å; T142-D145 WeakPolarHBondContact CB-OD2 3.18Å; T142-D145 WeakPolarHBondContact CG2-OD2 3.47Å; T142-D145 PolarHBondContact N-OD2 3.21Å; T142-D145 PolarHBondContact O-N 2.97Å; T142-D145 VanDerWaalsContact O-N 3.17Å; T142-D145 PolarHBondContact OG1-N 3.43Å; T142-D145 PolarHBondContact OG1-OD2 3.47Å; D145-A147 PolarHBondContact O-N 3.17Å; D145-R148 PolarHBondContact O-N 2.96Å; D145-A149 WeakPolarHBondContact O-CB 3.16Å; D145-A149 PolarHBondContact O-N 3.47Å
146L93.3Very high89.7Confident20 Ų2059.3 Ų59.311%0.10537%0.368CS..Hα-helixtrans-60.9-42.4173.5-69.9176.8000112.2H113 V116 E141 T142 V144 R148 A149 S150H113-L146 HydrophobicContact CB-CD1 3.64Å; V116-L146 HydrophobicContact CG1-CB 3.75Å; E141-L146 HydrophobicContact CB-CD2 3.95Å; E141-L146 HydrophobicContact CB-CG 4.01Å; E141-L146 HydrophobicContact CG-CD2 4.33Å; E141-L146 WeakPolarHBondContact OE1-CD2 3.31Å; T142-L146 WeakPolarHBondContact O-CG 3.42Å; T142-L146 PolarHBondContact O-N 2.89Å; V144-L146 VanDerWaalsContact C-N 3.31Å; V144-L146 PolarHBondContact O-N 3.4Å; L146-R148 VanDerWaalsContact C-N 3.31Å; L146-R148 PolarHBondContact O-N 2.97Å; L146-A149 PolarHBondContact O-N 3.13Å; L146-S150 WeakPolarHBondContact O-CB 3.47Å; L146-S150 PolarHBondContact O-N 2.96Å
147A92.9Very high89.5Confident3 Ų356.7 Ų56.73%0.02535%0.351CS..Hα-helixtrans-65-36.4-179.500000111.9V116 A143 V144 D145 C153 V158 L161V116-A147 VanDerWaalsContact CG1-CA 3.49Å; V116-A147 HydrophobicContact CG1-CB 3.64Å; V116-A147 VanDerWaalsContact CG1-N 3.33Å; A143-A147 WeakPolarHBondContact O-CB 3.48Å; A143-A147 PolarHBondContact O-N 3.38Å; A143-A147 VanDerWaalsContact O-N 3.12Å; V144-A147 PolarHBondContact O-N 2.95Å; V144-A147 VanDerWaalsContact O-N 3.16Å; D145-A147 PolarHBondContact O-N 3.17Å; A147-C153 HydrophobicContact CB-CB 4.48Å; A147-V158 HydrophobicContact CB-CG2 3.84Å; A147-L161 HydrophobicContact CB-CD1 3.93Å
148R91.1Very high89.3Confident163 Ų16356.9 Ų56.962%0.61535%0.353SS*.Hα-helixtrans-71.9-34.1176.1-72.2173.9171.6-177.4-5.7113V144 D145 L146 V158 E162V144-R148 WeakPolarHBondContact O-CG 3.36Å; V144-R148 PolarHBondContact O-N 3.43Å; D145-R148 PolarHBondContact O-N 2.96Å; L146-R148 VanDerWaalsContact C-N 3.31Å; L146-R148 PolarHBondContact O-N 2.97Å; R148-V158 HydrophobicContact CG-CG1 3.8Å; R148-V158 HydrophobicContact CG-CG2 4.4Å; R148-E162 IonicContact CZ-OE1 3.26Å; R148-E162 VanDerWaalsContact CZ-OE1 3.26Å; R148-E162 IonicContact NE-OE1 2.96Å; R148-E162 PolarHBondContact NE-OE1 3.24Å; R148-E162 VanDerWaalsContact NE-OE1 3.14Å; R148-E162 IonicContact NH2-OE1 2.64Å; R148-E162 PolarHBondContact NH2-OE1 3.31Å
149A87.4Confident89.1Confident80 Ų8057.2 Ų57.266%0.66135%0.346SS*.Hα-helixtrans-84.5-22.2-179.100000113.3D145 L146D145-A149 WeakPolarHBondContact O-CB 3.16Å; D145-A149 PolarHBondContact O-N 3.47Å; L146-A149 PolarHBondContact O-N 3.13Å
150S80.6Confident89.1Confident34 Ų3454 Ų5424%0.23832%0.322CS..  trans-84.4135.5-174.4-167.50000112.9L146 S152L146-S150 WeakPolarHBondContact O-CB 3.47Å; L146-S150 PolarHBondContact O-N 2.96Å; S150-S152 VanDerWaalsContact C-N 3.25Å; S150-S152 PolarHBondContact OG-N 3.47Å; S150-S152 VanDerWaalsContact OG-N 3.12Å; S150-S152 PolarHBondContact OG-OG 2.88Å
151S79.3Confident89Confident130 Ų13051.7 Ų51.791%0.90930%0.298SS*.SBendtrans-76.7-11.1167.156.10000113.5
152S75.9Confident88.8Confident51 Ų5151.4 Ų51.436%0.35730%0.297SS..SBendtrans-83.4-20179.566.10000113.6R117 S150R117-S152 PolarHBondContact O-OG 3.2Å; S150-S152 VanDerWaalsContact C-N 3.25Å; S150-S152 PolarHBondContact OG-N 3.47Å; S150-S152 VanDerWaalsContact OG-N 3.12Å; S150-S152 PolarHBondContact OG-OG 2.88Å
153C79.4Confident88.5Confident17 Ų1756.6 Ų56.612%0.11531%0.313CS..SBendtrans-92.7142178.9-82.30000111.6V116 A147 V157V116-C153 PolarHBondContact O-SG 3.23Å; A147-C153 HydrophobicContact CB-CB 4.48Å; C153-V157 HydrophobicContact CB-CB 4.42Å; C153-V157 HydrophobicContact CB-CG1 4.43Å
154T83.9Confident88.3Confident63 Ų6358.9 Ų58.939%0.38732%0.324SS..  trans-83.9155.817261.80000110.6D156 V157T154-D156 PolarHBondContact O-N 3.48Å; T154-D156 VanDerWaalsContact O-N 3.15Å; T154-V157 WeakPolarHBondContact O-CB 3.39Å; T154-V157 PolarHBondContact O-N 2.76Å
155P86.1Confident87.9Confident105 Ų10560.6 Ų60.668%0.68233%0.333SS*.Hα-helixtrans-51.5-36.7173.9-28.136000113.2V157 V158 E159P155-V157 PolarHBondContact O-N 3.41Å; P155-V158 WeakPolarHBondContact O-CB 3.44Å; P155-V158 PolarHBondContact O-N 3.24Å; P155-V158 VanDerWaalsContact O-N 3.11Å; P155-E159 PolarHBondContact O-N 2.8Å
156D88.4Confident87.3Confident80 Ų8063 Ų6343%0.42834%0.342SS..Hα-helixtrans-54.9-36.2174.7-55.410.3000113.5R121 T154 L160R121-D156 IonicContact CZ-OD2 3.14Å; R121-D156 IonicContact NH1-OD2 2.67Å; R121-D156 PolarHBondContact NH1-OD2 3.44Å; R121-D156 IonicContact NH2-OD2 3.61Å; T154-D156 PolarHBondContact O-N 3.48Å; T154-D156 VanDerWaalsContact O-N 3.15Å; D156-L160 VanDerWaalsContact O-CB 3.28Å; D156-L160 WeakPolarHBondContact O-CB 3.26Å; D156-L160 PolarHBondContact O-N 2.98Å
157V90.4Very high86.3Confident7 Ų764.8 Ų64.84%0.04236%0.356CS..Hα-helixtrans-70.5-40.6179.7170.80000110.3R121 I124 C153 T154 P155 L160 L161R121-V157 HydrophobicContact CB-CG2 4.49Å; R121-V157 HydrophobicContact CG-CG2 4.27Å; I124-V157 HydrophobicContact CD1-CG1 3.73Å; I124-V157 HydrophobicContact CD1-CG2 4.33Å; I124-V157 HydrophobicContact CG2-CG1 4.05Å; C153-V157 HydrophobicContact CB-CB 4.42Å; C153-V157 HydrophobicContact CB-CG1 4.43Å; T154-V157 WeakPolarHBondContact O-CB 3.39Å; T154-V157 PolarHBondContact O-N 2.76Å; P155-V157 PolarHBondContact O-N 3.41Å; V157-L160 PolarHBondContact O-N 3.11Å; V157-L161 HydrophobicContact CG1-CD1 4.2Å; V157-L161 WeakPolarHBondContact O-CG 3.5Å; V157-L161 PolarHBondContact O-N 3.25Å
158V91.7Very high84.8Confident24 Ų2469.4 Ų69.415%0.14538%0.375CS..Hα-helixtrans-61.4-50175.7-178.50000109.6A147 R148 P155 L160 L161 E162A147-V158 HydrophobicContact CB-CG2 3.84Å; R148-V158 HydrophobicContact CG-CG1 3.8Å; R148-V158 HydrophobicContact CG-CG2 4.4Å; P155-V158 WeakPolarHBondContact O-CB 3.44Å; P155-V158 PolarHBondContact O-N 3.24Å; P155-V158 VanDerWaalsContact O-N 3.11Å; V158-L160 VanDerWaalsContact C-N 3.3Å; V158-L160 PolarHBondContact O-N 3.03Å; V158-L161 PolarHBondContact O-N 2.93Å; V158-E162 HydrophobicContact CG1-CG 4.39Å; V158-E162 WeakPolarHBondContact O-CG 3.42Å; V158-E162 PolarHBondContact O-N 2.99Å
159E91.2Very high83.1Confident119 Ų11965.9 Ų65.956%0.55637%0.372SS*.Hα-helixtrans-58.2-42.4177.5-170.9-170.5159.300111.5P155 L161 E162 R163P155-E159 PolarHBondContact O-N 2.8Å; E159-L161 PolarHBondContact O-N 3.4Å; E159-E162 PolarHBondContact O-N 3.19Å; E159-R163 VanDerWaalsContact O-CB 3.27Å; E159-R163 WeakPolarHBondContact O-CB 3.34Å; E159-R163 PolarHBondContact O-N 3.04Å
160L92.4Very high81.5Confident27 Ų2769.5 Ų69.514%0.14137%0.373CS..Hα-helixtrans-59.5-47177.3179.7146000112.2I124 E125 A128 D156 V157 V158 Q164I124-L160 HydrophobicContact CG2-CD2 4.5Å; E125-L160 HydrophobicContact CG-CD1 3.61Å; A128-L160 HydrophobicContact CB-CD2 3.8Å; D156-L160 VanDerWaalsContact O-CB 3.28Å; D156-L160 WeakPolarHBondContact O-CB 3.26Å; D156-L160 PolarHBondContact O-N 2.98Å; V157-L160 PolarHBondContact O-N 3.11Å; V158-L160 VanDerWaalsContact C-N 3.3Å; V158-L160 PolarHBondContact O-N 3.03Å; L160-Q164 WeakPolarHBondContact O-CG 3.29Å; L160-Q164 PolarHBondContact O-N 3.16Å
161L92.1Very high80.1Confident0 Ų072 Ų720%039%0.391CS..Hα-helixtrans-69.3-39.7-178.5-65.9172.6000111.6I112 V116 I124 A128 L133 V144 A147 V157 V158 E159 Q164 L165I112-L161 HydrophobicContact CD1-CD2 4.03Å; V116-L161 HydrophobicContact CG2-CD1 3.92Å; I124-L161 HydrophobicContact CG2-CD2 3.92Å; I124-L161 HydrophobicContact CG2-CG 4.36Å; A128-L161 HydrophobicContact CB-CD2 3.86Å; L133-L161 HydrophobicContact CD1-CD2 4.35Å; L133-L161 HydrophobicContact CD2-CD2 3.97Å; V144-L161 HydrophobicContact CG2-CB 3.79Å; A147-L161 HydrophobicContact CB-CD1 3.93Å; V157-L161 HydrophobicContact CG1-CD1 4.2Å; V157-L161 WeakPolarHBondContact O-CG 3.5Å; V157-L161 PolarHBondContact O-N 3.25Å; V158-L161 PolarHBondContact O-N 2.93Å; E159-L161 PolarHBondContact O-N 3.4Å; L161-Q164 PolarHBondContact O-N 3.36Å; L161-L165 PolarHBondContact O-N 3.13Å; L161-L165 VanDerWaalsContact O-N 3.14Å
162E91.3Very high78.6Confident58 Ų5873.6 Ų73.627%0.27138%0.383SS..Hα-helixtrans-62.2-47.4175.4-72.9176.8171.400111.3V144 R148 V158 E159 Q164 L165 E166V144-E162 HydrophobicContact CG1-CG 3.98Å; R148-E162 IonicContact CZ-OE1 3.26Å; R148-E162 VanDerWaalsContact CZ-OE1 3.26Å; R148-E162 IonicContact NE-OE1 2.96Å; R148-E162 PolarHBondContact NE-OE1 3.24Å; R148-E162 VanDerWaalsContact NE-OE1 3.14Å; R148-E162 IonicContact NH2-OE1 2.64Å; R148-E162 PolarHBondContact NH2-OE1 3.31Å; V158-E162 HydrophobicContact CG1-CG 4.39Å; V158-E162 WeakPolarHBondContact O-CG 3.42Å; V158-E162 PolarHBondContact O-N 2.99Å; E159-E162 PolarHBondContact O-N 3.19Å; E162-Q164 PolarHBondContact O-N 3.17Å; E162-L165 WeakPolarHBondContact O-CA 3.47Å; E162-L165 WeakPolarHBondContact O-CB 3.49Å; E162-L165 PolarHBondContact O-N 2.98Å; E162-E166 WeakPolarHBondContact O-CG 3.38Å; E162-E166 PolarHBondContact O-N 2.94Å
163R89.8Confident77Confident135 Ų13575.4 Ų75.451%0.50940%0.396SS..Hα-helixtrans-59.3-34.9176.8-170.9177.766.5-164.7-0.3112.7E159 E166 S167E159-R163 VanDerWaalsContact O-CB 3.27Å; E159-R163 WeakPolarHBondContact O-CB 3.34Å; E159-R163 PolarHBondContact O-N 3.04Å; R163-E166 PolarHBondContact O-N 3Å; R163-S167 WeakPolarHBondContact O-CB 3.34Å; R163-S167 PolarHBondContact O-N 2.9Å; R163-S167 PolarHBondContact O-OG 2.98Å
164Q88.3Confident75.6Confident48 Ų4879.8 Ų79.822%0.22442%0.424CS..Hα-helixtrans-71.7-27.6175.5-72.5-68.2-3500113.1A128 L133 L160 L161 E162 S167A128-Q164 HydrophobicContact CB-CG 4.38Å; L133-Q164 HydrophobicContact CD1-CB 3.62Å; L160-Q164 WeakPolarHBondContact O-CG 3.29Å; L160-Q164 PolarHBondContact O-N 3.16Å; L161-Q164 PolarHBondContact O-N 3.36Å; E162-Q164 PolarHBondContact O-N 3.17Å; Q164-S167 PolarHBondContact O-OG 3.45Å
165L85.6Confident73.7Confident44 Ų4482.7 Ų82.723%0.2344%0.444CS..Hα-helixtrans-71.5-41.6171.6-75173000111.3L133 K134 V144 L161 E162 V169L133-L165 HydrophobicContact CB-CD2 3.61Å; L133-L165 HydrophobicContact CB-CG 4.1Å; L133-L165 HydrophobicContact CD1-CD2 4.33Å; L133-L165 HydrophobicContact CD1-CG 4.13Å; K134-L165 HydrophobicContact CD-CD2 4.28Å; K134-L165 HydrophobicContact CG-CD2 3.54Å; V144-L165 HydrophobicContact CG2-CD1 3.71Å; L161-L165 PolarHBondContact O-N 3.13Å; L161-L165 VanDerWaalsContact O-N 3.14Å; E162-L165 WeakPolarHBondContact O-CA 3.47Å; E162-L165 WeakPolarHBondContact O-CB 3.49Å; E162-L165 PolarHBondContact O-N 2.98Å; L165-V169 WeakPolarHBondContact O-CG2 3.32Å
166E82Confident72Confident116 Ų11685.4 Ų85.454%0.54245%0.452SS..Hα-helixtrans-70.1-41.3-179.7-66.3174.8159.600112.4E162 R163 K168 V169 F170E162-E166 WeakPolarHBondContact O-CG 3.38Å; E162-E166 PolarHBondContact O-N 2.94Å; R163-E166 PolarHBondContact O-N 3Å; E166-K168 PolarHBondContact O-N 3.49Å; E166-V169 WeakPolarHBondContact O-CB 3.41Å; E166-V169 PolarHBondContact O-N 3.26Å; E166-F170 VanDerWaalsContact O-CD2 3.29Å; E166-F170 WeakPolarHBondContact O-CD2 3.22Å; E166-F170 PolarHBondContact O-N 3.01Å
167S72.4Confident70.3Confident56 Ų5687.3 Ų87.339%0.39247%0.469SS..Hα-helixtrans-61.3-30.918068.20000113R163 Q164 V169R163-S167 WeakPolarHBondContact O-CB 3.34Å; R163-S167 PolarHBondContact O-N 2.9Å; R163-S167 PolarHBondContact O-OG 2.98Å; Q164-S167 PolarHBondContact O-OG 3.45Å; S167-V169 VanDerWaalsContact C-N 3.3Å; S167-V169 PolarHBondContact O-N 2.93Å
168K60.7Low69Low101 Ų10198.7 Ų98.744%0.43953%0.528SS..Hα-helixtrans-75.6-13.7174-72.6-180179.3175.90113.6P129 E166 S171P129-K168 PolarHBondContact O-NZ 2.71Å; E166-K168 PolarHBondContact O-N 3.49Å; K168-S171 PolarHBondContact O-OG 3.43Å
169V56.7Low67.9Low88 Ų88102.5 Ų102.553%0.53355%0.547SS..Hα-helixtrans-82.7-36175.2178.20000111L165 E166 S167L165-V169 WeakPolarHBondContact O-CG2 3.32Å; E166-V169 WeakPolarHBondContact O-CB 3.41Å; E166-V169 PolarHBondContact O-N 3.26Å; S167-V169 VanDerWaalsContact C-N 3.3Å; S167-V169 PolarHBondContact O-N 2.93Å
170F53.4Low66.7Low156 Ų156101.6 Ų101.668%0.68455%0.547SS*.Hα-helixtrans-82.8-11.7-177.2-69.4-76.2000114.9E166 H172E166-F170 VanDerWaalsContact O-CD2 3.29Å; E166-F170 WeakPolarHBondContact O-CD2 3.22Å; E166-F170 PolarHBondContact O-N 3.01Å; F170-H172 PolarHBondContact O-N 2.7Å
171S52.2Low65.2Low88 Ų88105.7 Ų105.762%0.61557%0.569SS**THydrogen-bonded Turntrans-77.52.3175.765.40000114.4K168K168-S171 PolarHBondContact O-OG 3.43Å
172H47.8Very low63.7Low162 Ų162111.9 Ų111.975%0.7560%0.603SS**THydrogen-bonded Turntrans-123.314-179.9-86.3-59.7000115.3F170 P174F170-H172 PolarHBondContact O-N 2.7Å; H172-P174 VanDerWaalsContact O-CD 3.32Å; H172-P174 WeakPolarHBondContact O-CD 3.46Å
173S42.1Very low61.9Low89 Ų89115.3 Ų115.362%0.62262%0.624SS**PPolyproline II helixtrans-64.3119.6170.7-67.90000110
174P49.8Very low60.1Low110 Ų110114 Ų11471%0.71463%0.631SS**PPolyproline II helixtrans-64.3150.3174.926.9-31.7000109.7H172 L176H172-P174 VanDerWaalsContact O-CD 3.32Å; H172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-L176 PolarHBondContact O-N 3.43Å
175P44.3Very low58.1Low123 Ų123118.7 Ų118.780%0.79966%0.66SS**PPolyproline II helixtrans-58.6132.1177.624.5-31.1000109.3
176L49.7Very low56Low162 Ų162124.5 Ų124.585%0.84869%0.693SS**PPolyproline II helixtrans-56.8131.6175.2-73.5164.7000108.9P174 L178P174-L176 PolarHBondContact O-N 3.43Å; L176-L178 PolarHBondContact O-N 2.61Å
177P53.3Low53.8Low121 Ų121125.2 Ų125.279%0.78671%0.706SS**PPolyproline II helixtrans-64.4133.2173.625.6-30000109.5
178L63.2Low52.1Low246 Ų246131.5 Ų131.5100%1.28873%0.734SS**  trans-67.40171.2-72.9167.7000111.4L176L176-L178 PolarHBondContact O-N 2.61Å

Retrieved 178 of 178 residues in 168 ms (Link to these results)

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