A0A5K4F031_SCHMA Loading...

Putative sam/hd domain protein

AlphaFold DB , UniProt , Accession A0A5K4F031, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 546 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
1M57.7Low89.6Confident175 Ų17581.8 Ų81.886%0.86246%0.459SS*.  0151.50-70.4174.2-172.900108S18 Q22M1-S18 WeakPolarHBondContact O-CB 3.11Å; M1-S18 PolarHBondContact O-OG 2.88Å; M1-Q22 HydrophobicContact SD-CG 4.14Å
2S77.6Confident90.1Very high99 Ų9977.2 Ų77.269%0.69244%0.443SS*.  trans-74.9161.7175.8570000111
3S87.6Confident90.5Very high65 Ų6578 Ų7846%0.45545%0.45SS..  trans-57.3155.2164.554.50000110.5E15 L16S3-E15 PolarHBondContact OG-OE1 3.08Å; S3-L16 CarbonylContact C-O 3.59Å; S3-L16 VanDerWaalsContact CA-O 3.27Å; S3-L16 WeakPolarHBondContact CA-O 3.3Å; S3-L16 WeakPolarHBondContact CB-O 3.31Å
4K95.2Very high91.1Very high96 Ų9672.4 Ų72.442%0.41742%0.418SS..EExtended strand (participates in β ladder)trans-123.3140.6178.9-173.1176.1-177.61780109.2L16 V21K4-L16 PolarHBondContact N-O 3.24Å; K4-L16 PolarHBondContact O-N 2.94Å; K4-V21 HydrophobicContact CB-CG2 3.6Å; K4-V21 HydrophobicContact CD-CG1 4.31Å; K4-V21 HydrophobicContact CD-CG2 4.28Å
5I96.3Very high91.5Very high119 Ų11973.5 Ų73.561%0.6142%0.417SS*.EExtended strand (participates in β ladder)trans-100.5134.3173.6-69.1171.3000108.8V13 I14I5-V13 HydrophobicContact CG2-CG1 3.55Å; I5-I14 WeakPolarHBondContact CA-O 3.36Å
6V96.8Very high91.9Very high41 Ų4169.1 Ų69.125%0.24839%0.392CS..EExtended strand (participates in β ladder)trans-122.2135173.31760000108.8I14 L16V6-I14 PolarHBondContact N-O 3.45Å; V6-I14 PolarHBondContact O-N 3.18Å; V6-L16 HydrophobicContact CB-CD1 4.43Å; V6-L16 HydrophobicContact CG2-CD1 3.53Å; V6-L16 HydrophobicContact CG2-CG 4.4Å
7Q97.3Very high92.1Very high143 Ų14367.8 Ų67.867%0.66838%0.382SS*.EExtended strand (participates in β ladder)trans-83.5122.4169.5-173.768.135.900108.9G12Q7-G12 CarbonylContact C-O 3.57Å; Q7-G12 WeakPolarHBondContact CA-O 3.19Å; Q7-G12 PolarHBondContact NE2-O 3.34Å
8D97.1Very high92.2Very high13 Ų1365.2 Ų65.27%0.0737%0.369CS..EExtended strand (participates in β ladder)trans-115.6144.9175.3178.767000110.4V10 H11 G12 I14 R200D8-V10 VanDerWaalsContact C-N 3.3Å; D8-V10 PolarHBondContact O-N 3.31Å; D8-V10 WeakPolarHBondContact OD2-CA 3.39Å; D8-V10 WeakPolarHBondContact OD2-CB 3.47Å; D8-V10 PolarHBondContact OD2-N 3.26Å; D8-H11 HydrophobicContact CB-CB 4.49Å; D8-H11 IonicContact OD2-CD2 2.64Å; D8-H11 PolarHBondContact OD2-CD2 2.67Å; D8-H11 VanDerWaalsContact OD2-CD2 3.22Å; D8-H11 IonicContact OD2-CG 2.67Å; D8-H11 PolarHBondContact OD2-N 3.23Å; D8-G12 PolarHBondContact N-O 3.41Å; D8-G12 VanDerWaalsContact O-CA 3.32Å; D8-G12 WeakPolarHBondContact O-CA 3.32Å; D8-G12 PolarHBondContact O-N 3.27Å; D8-G12 VanDerWaalsContact O-N 3.09Å; D8-I14 HydrophobicContact CB-CD1 3.51Å; D8-I14 HydrophobicContact CB-CG1 4.04Å; D8-R200 IonicContact OD1-CZ 3.91Å; D8-R200 IonicContact OD1-NH1 3.06Å; D8-R200 PolarHBondContact OD1-NH1 3.27Å; D8-R200 IonicContact OD1-NH2 3.53Å; D8-R200 PolarHBondContact OD1-NH2 3.11Å; D8-R200 IonicContact OD2-NH1 2.96Å; D8-R200 IonicContact OD2-NH2 2.94Å; D8-R200 PolarHBondContact OD2-NH2 3.28Å
9A93.3Very high92.4Very high76 Ų7662.1 Ų62.163%0.62835%0.351SS*.THydrogen-bonded Turntrans-73.4-23.1-176.300000113.2L203A9-L203 HydrophobicContact CB-CD2 3.82Å
10V93.3Very high92.6Very high39 Ų3959.2 Ų59.224%0.23634%0.335CS..THydrogen-bonded Turntrans-95.9-49.9-178.1-179.10000110.5D8 L199 R200 L203D8-V10 VanDerWaalsContact C-N 3.3Å; D8-V10 PolarHBondContact O-N 3.31Å; D8-V10 WeakPolarHBondContact OD2-CA 3.39Å; D8-V10 WeakPolarHBondContact OD2-CB 3.47Å; D8-V10 PolarHBondContact OD2-N 3.26Å; V10-L199 HydrophobicContact CG1-CB 3.6Å; V10-L199 HydrophobicContact CG1-CD1 4.25Å; V10-R200 HydrophobicContact CG2-CB 3.85Å; V10-R200 HydrophobicContact CG2-CG 3.99Å; V10-L203 HydrophobicContact CG2-CD2 3.89Å
11H93.8Very high92.8Very high34 Ų3456.8 Ų56.816%0.15732%0.322CS..THydrogen-bonded Turntrans-97.8-4.5-170.7-57.3-61000114D8 V13 I14 H61 M62 D196D8-H11 HydrophobicContact CB-CB 4.49Å; D8-H11 IonicContact OD2-CD2 2.64Å; D8-H11 PolarHBondContact OD2-CD2 2.67Å; D8-H11 VanDerWaalsContact OD2-CD2 3.22Å; D8-H11 IonicContact OD2-CG 2.67Å; D8-H11 PolarHBondContact OD2-N 3.23Å; H11-V13 PolarHBondContact O-N 3.34Å; H11-I14 HydrophobicContact CB-CD1 4.05Å; H11-I14 HydrophobicContact CB-CG1 3.98Å; H11-H61 AromaticContact CG-CD2 3.7Å; H11-H61 AromaticContact ND1-CD2 3.95Å; H11-M62 PolarHBondContact CE1-SD 2.73Å; H11-D196 IonicContact CD2-OD1 2.75Å; H11-D196 IonicContact CE1-OD1 2.87Å; H11-D196 IonicContact NE2-OD1 3.22Å; H11-D196 PolarHBondContact NE2-OD1 3.41Å
12G94.7Very high94.7Very high26 Ų2649.3 Ų49.327%0.26829%0.285SS..EExtended strand (participates in β ladder)trans72.5-107.8-175.100000111.4Q7 D8Q7-G12 CarbonylContact C-O 3.57Å; Q7-G12 WeakPolarHBondContact CA-O 3.19Å; Q7-G12 PolarHBondContact NE2-O 3.34Å; D8-G12 PolarHBondContact N-O 3.41Å; D8-G12 VanDerWaalsContact O-CA 3.32Å; D8-G12 WeakPolarHBondContact O-CA 3.32Å; D8-G12 PolarHBondContact O-N 3.27Å; D8-G12 VanDerWaalsContact O-N 3.09Å
13V96.5Very high95.6Very high88 Ų8844.6 Ų44.653%0.53325%0.252SS..EExtended strand (participates in β ladder)trans-99116-175.6175.70000109.9I5 H11I5-V13 HydrophobicContact CG2-CG1 3.55Å; H11-V13 PolarHBondContact O-N 3.34Å
14I97.9Very high96.1Very high0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-104.6123174.8-60.7177.9000109.5I5 V6 D8 H11 L16 I57 H61I5-I14 WeakPolarHBondContact CA-O 3.36Å; V6-I14 PolarHBondContact N-O 3.45Å; V6-I14 PolarHBondContact O-N 3.18Å; D8-I14 HydrophobicContact CB-CD1 3.51Å; D8-I14 HydrophobicContact CB-CG1 4.04Å; H11-I14 HydrophobicContact CB-CD1 4.05Å; H11-I14 HydrophobicContact CB-CG1 3.98Å; I14-L16 HydrophobicContact CG2-CD2 3.93Å; I14-L16 HydrophobicContact CG2-CG 4.32Å; I14-I57 HydrophobicContact CD1-CG2 3.8Å; I14-I57 HydrophobicContact CG2-CG2 4.18Å; I14-H61 HydrophobicContact CD1-CB 3.92Å; I14-H61 HydrophobicContact CG1-CB 4.05Å; I14-H61 HydrophobicContact CG2-CB 3.89Å
15E97.3Very high96.2Very high88 Ų8841.3 Ų41.341%0.41123%0.234SC..EExtended strand (participates in β ladder)trans-93.3117.4171.4-173.6-168.3-161.100111S3 K64S3-E15 PolarHBondContact OG-OE1 3.08Å; E15-K64 PolarHBondContact O-NZ 2.83Å; E15-K64 IonicContact OE2-NZ 3.51Å; E15-K64 PolarHBondContact OE2-NZ 3.21Å
16L97.5Very high96.2Very high3 Ų335.7 Ų35.72%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-98.9128.7177.3-59.8173.5000110.4S3 K4 V6 I14 A20 V21 I24 I57 Y60S3-L16 CarbonylContact C-O 3.59Å; S3-L16 VanDerWaalsContact CA-O 3.27Å; S3-L16 WeakPolarHBondContact CA-O 3.3Å; S3-L16 WeakPolarHBondContact CB-O 3.31Å; K4-L16 PolarHBondContact N-O 3.24Å; K4-L16 PolarHBondContact O-N 2.94Å; V6-L16 HydrophobicContact CB-CD1 4.43Å; V6-L16 HydrophobicContact CG2-CD1 3.53Å; V6-L16 HydrophobicContact CG2-CG 4.4Å; I14-L16 HydrophobicContact CG2-CD2 3.93Å; I14-L16 HydrophobicContact CG2-CG 4.32Å; L16-A20 HydrophobicContact CB-CB 4.48Å; L16-V21 HydrophobicContact CB-CG2 3.8Å; L16-I24 HydrophobicContact CD1-CD1 3.58Å; L16-I24 HydrophobicContact CD2-CD1 4.02Å; L16-I24 HydrophobicContact CG-CD1 4.37Å; L16-I57 HydrophobicContact CD2-CG2 4.29Å; L16-Y60 HydrophobicContact CD2-CD1 3.72Å; L16-Y60 HydrophobicContact CD2-CE1 3.67Å
17E95.6Very high96.3Very high47 Ų4738.7 Ų38.722%0.2223%0.226CC..PPolyproline II helixtrans-74.1159174.1-64.3-177.2167.800111.2L19 A20 V21 R90E17-L19 PolarHBondContact O-N 3.26Å; E17-L19 VanDerWaalsContact O-N 3.14Å; E17-A20 WeakPolarHBondContact O-CB 3.05Å; E17-A20 PolarHBondContact O-N 3.39Å; E17-V21 WeakPolarHBondContact O-CG2 3.49Å; E17-V21 PolarHBondContact O-N 2.89Å; E17-R90 IonicContact OE1-CZ 2.78Å; E17-R90 IonicContact OE1-NH1 2.71Å; E17-R90 PolarHBondContact OE1-NH1 3.36Å; E17-R90 IonicContact OE1-NH2 3.8Å; E17-R90 IonicContact OE2-CZ 2.79Å; E17-R90 IonicContact OE2-NH1 2.72Å; E17-R90 PolarHBondContact OE2-NH1 2.98Å; E17-R90 IonicContact OE2-NH2 2.77Å; E17-R90 PolarHBondContact OE2-NH2 3.46Å
18S94.8Very high96.3Very high22 Ų2233 Ų3315%0.15420%0.199CC..Hα-helixtrans-49.1-43-177.9176.40000113.2M1 V21 Q22M1-S18 WeakPolarHBondContact O-CB 3.11Å; M1-S18 PolarHBondContact O-OG 2.88Å; S18-V21 PolarHBondContact O-N 3.47Å; S18-Q22 WeakPolarHBondContact O-CG 3.49Å; S18-Q22 PolarHBondContact O-N 2.93Å
19L95.3Very high96.4Very high5 Ų532.3 Ų32.33%0.02620%0.195CC..Hα-helixtrans-66.8-42.1177.9-76.3170000113.2E17 V21 Q22 L23 L87 L141 E144 L145 L148E17-L19 PolarHBondContact O-N 3.26Å; E17-L19 VanDerWaalsContact O-N 3.14Å; L19-V21 VanDerWaalsContact C-N 3.3Å; L19-V21 PolarHBondContact O-N 3.32Å; L19-Q22 PolarHBondContact O-N 3.28Å; L19-L23 PolarHBondContact O-N 3.43Å; L19-L87 HydrophobicContact CD1-CD1 4.05Å; L19-L87 HydrophobicContact CD1-CD2 3.55Å; L19-L87 HydrophobicContact CD1-CG 4.36Å; L19-L141 HydrophobicContact CD2-CD1 3.42Å; L19-L141 VanDerWaalsContact CD2-CD1 3.42Å; L19-E144 HydrophobicContact CD2-CB 4.09Å; L19-E144 HydrophobicContact CD2-CG 3.77Å; L19-E144 WeakPolarHBondContact CD2-OE2 3.38Å; L19-E144 HydrophobicContact CG-CG 4.36Å; L19-L145 HydrophobicContact CD1-CD2 4.21Å; L19-L145 HydrophobicContact CD2-CD2 4.21Å; L19-L145 HydrophobicContact CD2-CG 4.42Å; L19-L148 HydrophobicContact CD1-CD1 3.55Å
20A97.1Very high96.6Very high4 Ų431.5 Ų31.53%0.03318%0.178CC..Hα-helixtrans-61.7-42.1175.500000110.6L16 E17 Q22 L23 I24 Y60 L94L16-A20 HydrophobicContact CB-CB 4.48Å; E17-A20 WeakPolarHBondContact O-CB 3.05Å; E17-A20 PolarHBondContact O-N 3.39Å; A20-Q22 PolarHBondContact O-N 2.94Å; A20-L23 PolarHBondContact O-N 3.11Å; A20-I24 WeakPolarHBondContact O-CB 3.27Å; A20-I24 WeakPolarHBondContact O-CD1 3.42Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.5Å; A20-Y60 HydrophobicContact CB-CD2 4.47Å; A20-Y60 HydrophobicContact CB-CE1 4.45Å; A20-Y60 HydrophobicContact CB-CE2 3.78Å; A20-L94 HydrophobicContact CB-CD2 3.85Å
21V97.2Very high96.9Very high10 Ų1030.5 Ų30.56%0.06117%0.171CC..Hα-helixtrans-61.2-43.5174.9178.10000111.3K4 L16 E17 S18 L19 L23 I24 D25K4-V21 HydrophobicContact CB-CG2 3.6Å; K4-V21 HydrophobicContact CD-CG1 4.31Å; K4-V21 HydrophobicContact CD-CG2 4.28Å; L16-V21 HydrophobicContact CB-CG2 3.8Å; E17-V21 WeakPolarHBondContact O-CG2 3.49Å; E17-V21 PolarHBondContact O-N 2.89Å; S18-V21 PolarHBondContact O-N 3.47Å; L19-V21 VanDerWaalsContact C-N 3.3Å; L19-V21 PolarHBondContact O-N 3.32Å; V21-L23 VanDerWaalsContact C-N 3.31Å; V21-L23 PolarHBondContact O-N 2.88Å; V21-I24 PolarHBondContact O-N 3.11Å; V21-D25 WeakPolarHBondContact CG1-OD2 3.38Å; V21-D25 WeakPolarHBondContact O-CB 3.33Å; V21-D25 PolarHBondContact O-N 3.28Å
22Q96.2Very high97.1Very high17 Ų1728.9 Ų28.98%0.07916%0.163CC..Hα-helixtrans-61.9-36.3176.9-75.6-179.279.200113.1M1 S18 L19 A20 K138 L141 E144M1-Q22 HydrophobicContact SD-CG 4.14Å; S18-Q22 WeakPolarHBondContact O-CG 3.49Å; S18-Q22 PolarHBondContact O-N 2.93Å; L19-Q22 PolarHBondContact O-N 3.28Å; A20-Q22 PolarHBondContact O-N 2.94Å; Q22-K138 PolarHBondContact O-NZ 3.37Å; Q22-L141 HydrophobicContact CB-CD1 4.3Å; Q22-E144 PolarHBondContact NE2-OE2 3.3Å
23L97.7Very high97.3Very high0 Ų033.5 Ų33.50%017%0.172CC..Hα-helixtrans-70.3-46.7174.2-72.3165.5000111.4L19 A20 V21 D25 S26 F29 I91 L94 L131 I134 I135 L141L19-L23 PolarHBondContact O-N 3.43Å; A20-L23 PolarHBondContact O-N 3.11Å; V21-L23 VanDerWaalsContact C-N 3.31Å; V21-L23 PolarHBondContact O-N 2.88Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-D25 PolarHBondContact O-N 2.94Å; L23-S26 WeakPolarHBondContact O-CB 3.48Å; L23-S26 PolarHBondContact O-N 3.49Å; L23-S26 PolarHBondContact O-OG 3.45Å; L23-F29 WeakPolarHBondContact O-CB 3.35Å; L23-I91 HydrophobicContact CD1-CB 4.46Å; L23-I91 HydrophobicContact CD1-CG1 4.01Å; L23-I91 HydrophobicContact CD1-CG2 3.84Å; L23-L94 HydrophobicContact CB-CD2 4.16Å; L23-L94 HydrophobicContact CD1-CD2 4.15Å; L23-L131 HydrophobicContact CD2-CD1 3.65Å; L23-I134 HydrophobicContact CD2-CG2 3.91Å; L23-I135 HydrophobicContact CD2-CG1 4.38Å; L23-L141 HydrophobicContact CD2-CD2 3.72Å; L23-L141 HydrophobicContact CG-CD2 4.2Å
24I98Very high97.3Very high9 Ų934.6 Ų34.65%0.04617%0.172CC..Hα-helixtrans-61.2-42.3179.6-71162.6000111.3L16 A20 V21 S26 F29 Q30 F53 I57 L94L16-I24 HydrophobicContact CD1-CD1 3.58Å; L16-I24 HydrophobicContact CD2-CD1 4.02Å; L16-I24 HydrophobicContact CG-CD1 4.37Å; A20-I24 WeakPolarHBondContact O-CB 3.27Å; A20-I24 WeakPolarHBondContact O-CD1 3.42Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.5Å; V21-I24 PolarHBondContact O-N 3.11Å; I24-S26 PolarHBondContact O-N 3.47Å; I24-F29 HydrophobicContact CB-CD1 4.14Å; I24-F29 HydrophobicContact CB-CE1 4.26Å; I24-F29 HydrophobicContact CG1-CD1 4.06Å; I24-F29 HydrophobicContact CG1-CE1 3.73Å; I24-F29 HydrophobicContact CG1-CE2 4.25Å; I24-F29 HydrophobicContact CG1-CG 4.47Å; I24-F29 HydrophobicContact CG1-CZ 3.85Å; I24-F29 HydrophobicContact CG2-CD1 4.09Å; I24-F29 HydrophobicContact CG2-CE1 4.18Å; I24-Q30 PolarHBondContact O-NE2 3.32Å; I24-F53 HydrophobicContact CG2-CE2 3.94Å; I24-F53 HydrophobicContact CG2-CZ 3.84Å; I24-I57 HydrophobicContact CD1-CD1 4.22Å; I24-I57 HydrophobicContact CD1-CG1 3.99Å; I24-L94 HydrophobicContact CD1-CD1 4.06Å; I24-L94 HydrophobicContact CD1-CD2 4.37Å; I24-L94 HydrophobicContact CG1-CD1 4.07Å; I24-L94 HydrophobicContact CG1-CD2 4.2Å
25D96.6Very high97.4Very high83 Ų8334.6 Ų34.644%0.44417%0.172SC..SBendtrans-8247.6179.5-65.5-16.4000110.9V21 L23 K138V21-D25 WeakPolarHBondContact CG1-OD2 3.38Å; V21-D25 WeakPolarHBondContact O-CB 3.33Å; V21-D25 PolarHBondContact O-N 3.28Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-D25 PolarHBondContact O-N 2.94Å; D25-K138 PolarHBondContact O-NZ 3.06Å
26S97.2Very high97.4Very high1 Ų132.7 Ų32.71%0.00716%0.162CC..SBendtrans-119.2145.8169.264.30000110.3L23 I24 E28 F29 Q30L23-S26 WeakPolarHBondContact O-CB 3.48Å; L23-S26 PolarHBondContact O-N 3.49Å; L23-S26 PolarHBondContact O-OG 3.45Å; I24-S26 PolarHBondContact O-N 3.47Å; S26-E28 PolarHBondContact O-N 2.85Å; S26-F29 PolarHBondContact O-N 2.93Å; S26-F29 VanDerWaalsContact OG-CB 3.29Å; S26-F29 WeakPolarHBondContact OG-CB 3.36Å; S26-F29 PolarHBondContact OG-N 3.16Å; S26-Q30 WeakPolarHBondContact O-CB 3.43Å; S26-Q30 VanDerWaalsContact O-CG 3.24Å; S26-Q30 WeakPolarHBondContact O-CG 3.4Å; S26-Q30 PolarHBondContact O-N 3.3Å
27P97.4Very high97.5Very high105 Ų10533.3 Ų33.368%0.68217%0.165SC*.Hα-helixtrans-53.5-38.7175.8-26.735.3000113.2Q30 R31P27-Q30 PolarHBondContact O-N 3.09Å; P27-R31 PolarHBondContact O-N 3.31Å
28E97.8Very high97.5Very high22 Ų2232.3 Ų32.310%0.10316%0.161CC..Hα-helixtrans-65.4-38.9-179.6-61.692157.700112.8S26 R31 V130 Q133 I134 L314S26-E28 PolarHBondContact O-N 2.85Å; E28-R31 WeakPolarHBondContact O-CB 3.22Å; E28-V130 HydrophobicContact CB-CG1 3.66Å; E28-V130 HydrophobicContact CG-CG1 4.12Å; E28-Q133 PolarHBondContact OE1-NE2 2.86Å; E28-I134 HydrophobicContact CB-CD1 3.8Å; E28-I134 HydrophobicContact CB-CG1 3.77Å; E28-I134 HydrophobicContact CG-CG1 4.09Å; E28-L314 HydrophobicContact CB-CD2 4.24Å; E28-L314 HydrophobicContact CG-CD1 3.59Å; E28-L314 HydrophobicContact CG-CD2 4.16Å; E28-L314 HydrophobicContact CG-CG 4.5Å
29F98.5Very high97.6Very high0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-75.8-40.4173.9-164.7-74.8000111.4L23 I24 S26 R31 L32 F53 I57 L94 L98L23-F29 WeakPolarHBondContact O-CB 3.35Å; I24-F29 HydrophobicContact CB-CD1 4.14Å; I24-F29 HydrophobicContact CB-CE1 4.26Å; I24-F29 HydrophobicContact CG1-CD1 4.06Å; I24-F29 HydrophobicContact CG1-CE1 3.73Å; I24-F29 HydrophobicContact CG1-CE2 4.25Å; I24-F29 HydrophobicContact CG1-CG 4.47Å; I24-F29 HydrophobicContact CG1-CZ 3.85Å; I24-F29 HydrophobicContact CG2-CD1 4.09Å; I24-F29 HydrophobicContact CG2-CE1 4.18Å; S26-F29 PolarHBondContact O-N 2.93Å; S26-F29 VanDerWaalsContact OG-CB 3.29Å; S26-F29 WeakPolarHBondContact OG-CB 3.36Å; S26-F29 PolarHBondContact OG-N 3.16Å; F29-R31 PolarHBondContact O-N 3.12Å; F29-L32 HydrophobicContact CZ-CD1 4.5Å; F29-L32 WeakPolarHBondContact O-CB 3.35Å; F29-L32 PolarHBondContact O-N 3.47Å; F29-L32 VanDerWaalsContact O-N 3.08Å; F29-F53 AromaticContact CD1-CD2 3.64Å; F29-F53 HydrophobicContact CD1-CD2 3.64Å; F29-F53 AromaticContact CD1-CE2 3.54Å; F29-F53 HydrophobicContact CD1-CE2 3.54Å; F29-F53 AromaticContact CE1-CD2 3.5Å; F29-F53 HydrophobicContact CE1-CD2 3.5Å; F29-F53 AromaticContact CE1-CE2 3.51Å; F29-F53 HydrophobicContact CE1-CE2 3.51Å; F29-F53 HydrophobicContact CE1-CG 4.31Å; F29-F53 HydrophobicContact CE1-CZ 4.3Å; F29-I57 HydrophobicContact CE1-CG1 4.4Å; F29-I57 HydrophobicContact CZ-CG1 4.36Å; F29-L94 HydrophobicContact CE2-CD1 3.75Å; F29-L94 HydrophobicContact CE2-CG 3.73Å; F29-L94 WeakPolarHBondContact CE2-O 3.23Å; F29-L94 HydrophobicContact CZ-CD1 3.61Å; F29-L94 HydrophobicContact CZ-CG 4.14Å; F29-L98 HydrophobicContact CB-CD2 4.14Å; F29-L98 HydrophobicContact CD2-CD2 3.73Å; F29-L98 HydrophobicContact CE2-CD2 4.46Å; F29-L98 HydrophobicContact CG-CD2 4.22Å
30Q98.5Very high97.6Very high58 Ų5831.4 Ų31.427%0.27116%0.155SC..Hα-helixtrans-62.2-27.9177.9-66-65.3-45.600112.4I24 S26 P27 L32 R33I24-Q30 PolarHBondContact O-NE2 3.32Å; S26-Q30 WeakPolarHBondContact O-CB 3.43Å; S26-Q30 VanDerWaalsContact O-CG 3.24Å; S26-Q30 WeakPolarHBondContact O-CG 3.4Å; S26-Q30 PolarHBondContact O-N 3.3Å; P27-Q30 PolarHBondContact O-N 3.09Å; Q30-L32 PolarHBondContact O-N 3.4Å; Q30-R33 VanDerWaalsContact O-CB 3.32Å; Q30-R33 WeakPolarHBondContact O-CB 3.48Å; Q30-R33 VanDerWaalsContact O-CG 3.29Å; Q30-R33 WeakPolarHBondContact O-CG 3.33Å; Q30-R33 PolarHBondContact O-N 3.42Å; Q30-R33 VanDerWaalsContact O-N 3.09Å
31R98.5Very high97.6Very high19 Ų1931.2 Ų31.27%0.07215%0.154CC..G310 helixtrans-51.4-33.9171.6177.8-173.3167-97.9-3.1113P27 E28 F29 R33 E34 I35 L98 H100 L314 L316P27-R31 PolarHBondContact O-N 3.31Å; E28-R31 WeakPolarHBondContact O-CB 3.22Å; F29-R31 PolarHBondContact O-N 3.12Å; R31-R33 PolarHBondContact O-N 2.68Å; R31-E34 PolarHBondContact O-N 2.71Å; R31-I35 HydrophobicContact CG-CD1 4.47Å; R31-I35 VanDerWaalsContact CZ-CD1 3.43Å; R31-L98 PolarHBondContact NH1-O 3.44Å; R31-H100 PolarHBondContact NH1-O 3.21Å; R31-H100 PolarHBondContact NH2-O 2.9Å; R31-L314 WeakPolarHBondContact CD-O 3.15Å; R31-L314 PolarHBondContact NE-O 3.05Å; R31-L316 VanDerWaalsContact CZ-O 3.29Å; R31-L316 PolarHBondContact NE-O 3.36Å; R31-L316 VanDerWaalsContact NE-O 3.07Å; R31-L316 PolarHBondContact NH2-O 2.94Å
32L98.6Very high97.6Very high0 Ų033 Ų330%016%0.16CC..G310 helixtrans-60.5-18.1-179.4-65.1-176.8000113.5F29 Q30 E34 I35 S51 R52 F53 L98F29-L32 HydrophobicContact CZ-CD1 4.5Å; F29-L32 WeakPolarHBondContact O-CB 3.35Å; F29-L32 PolarHBondContact O-N 3.47Å; F29-L32 VanDerWaalsContact O-N 3.08Å; Q30-L32 PolarHBondContact O-N 3.4Å; L32-E34 PolarHBondContact O-N 3.39Å; L32-I35 HydrophobicContact CD2-CD1 4.33Å; L32-I35 PolarHBondContact O-N 3.11Å; L32-S51 VanDerWaalsContact O-CB 3.3Å; L32-S51 WeakPolarHBondContact O-CB 3.41Å; L32-S51 PolarHBondContact O-OG 3.49Å; L32-R52 HydrophobicContact CB-CB 4.15Å; L32-R52 HydrophobicContact CD1-CB 4.47Å; L32-R52 HydrophobicContact CD2-CB 4.03Å; L32-R52 HydrophobicContact CG-CB 4.46Å; L32-F53 HydrophobicContact CB-CB 3.93Å; L32-L98 HydrophobicContact CD1-CD2 4.09Å; L32-L98 HydrophobicContact CG-CD2 4.46Å
33R98.5Very high97.6Very high123 Ų12333.8 Ų33.846%0.46416%0.163SC..G310 helixtrans-62.1-28.8172.5-65.8-179.6179.1-73.82112.9Q30 R31 S51 F53Q30-R33 VanDerWaalsContact O-CB 3.32Å; Q30-R33 WeakPolarHBondContact O-CB 3.48Å; Q30-R33 VanDerWaalsContact O-CG 3.29Å; Q30-R33 WeakPolarHBondContact O-CG 3.33Å; Q30-R33 PolarHBondContact O-N 3.42Å; Q30-R33 VanDerWaalsContact O-N 3.09Å; R31-R33 PolarHBondContact O-N 2.68Å; R33-S51 WeakPolarHBondContact CA-OG 3.47Å; R33-S51 WeakPolarHBondContact O-CB 3.29Å; R33-F53 HydrophobicContact CG-CB 3.92Å; R33-F53 HydrophobicContact CG-CD1 4.32Å; R33-F53 HydrophobicContact CG-CD2 3.79Å; R33-F53 HydrophobicContact CG-CE2 4.42Å; R33-F53 HydrophobicContact CG-CG 3.75Å; R33-F53 VanDerWaalsContact NH2-CE1 3.33Å
34E98.2Very high97.6Very high111 Ų11135.3 Ų35.352%0.51917%0.172SC..G310 helixtrans-98.314.7-177.9-61.3-60.614900112.4R31 L32 H317 D318R31-E34 PolarHBondContact O-N 2.71Å; L32-E34 PolarHBondContact O-N 3.39Å; E34-H317 HydrophobicContact CB-CB 3.88Å; E34-D318 VanDerWaalsContact O-CB 3.23Å; E34-D318 WeakPolarHBondContact O-CB 3.43Å; E34-D318 VanDerWaalsContact O-CG 3.26Å; E34-D318 PolarHBondContact O-N 2.89Å
35I98.5Very high97.5Very high0 Ų037.1 Ų37.10%018%0.18CC..SBendtrans-125.4110176.6-57.1179.2000108.6R31 L32 S51 R52 H100 H317R31-I35 HydrophobicContact CG-CD1 4.47Å; R31-I35 VanDerWaalsContact CZ-CD1 3.43Å; L32-I35 HydrophobicContact CD2-CD1 4.33Å; L32-I35 PolarHBondContact O-N 3.11Å; I35-S51 CarbonylContact O-C 3.58Å; I35-S51 VanDerWaalsContact O-CA 3.27Å; I35-S51 WeakPolarHBondContact O-CA 3.37Å; I35-S51 WeakPolarHBondContact O-CB 3.42Å; I35-R52 HydrophobicContact CG2-CG 4.18Å; I35-R52 PolarHBondContact O-N 3.07Å; I35-H100 WeakPolarHBondContact CD1-O 3.27Å; I35-H100 HydrophobicContact CG2-CB 4.45Å; I35-H317 HydrophobicContact CG1-CB 4.13Å
36K98.5Very high97.4Very high47 Ų4737.5 Ų37.520%0.20419%0.187CC..BIsolated β-bridgetrans-70.6135.3-179.6-66.6-162.6-168.9-46.20111.6L38 G39 Y42 S104 D318K36-L38 VanDerWaalsContact C-N 3.3Å; K36-L38 PolarHBondContact O-N 3.39Å; K36-G39 WeakPolarHBondContact CB-O 3.5Å; K36-G39 PolarHBondContact O-N 3.07Å; K36-Y42 HydrophobicContact CD-CD1 3.45Å; K36-Y42 VanDerWaalsContact CD-CD1 3.45Å; K36-Y42 HydrophobicContact CD-CE1 3.83Å; K36-Y42 HydrophobicContact CD-CG 3.97Å; K36-S104 PolarHBondContact O-OG 3.04Å; K36-D318 WeakPolarHBondContact CB-OD2 3.38Å; K36-D318 WeakPolarHBondContact CG-OD2 3.34Å; K36-D318 PolarHBondContact N-OD2 3.17Å
37Q98Very high97.4Very high16 Ų1641.5 Ų41.58%0.07521%0.214CC..THydrogen-bonded Turntrans-53.3-50.1177.5180641300110.9G39 H50 H55Q37-G39 VanDerWaalsContact C-N 3.3Å; Q37-G39 PolarHBondContact O-N 3.29Å; Q37-H50 VanDerWaalsContact CB-CD2 3.42Å; Q37-H50 WeakPolarHBondContact CB-CD2 3.43Å; Q37-H50 WeakPolarHBondContact CB-NE2 3.48Å; Q37-H50 PolarHBondContact N-O 3.26Å; Q37-H55 PolarHBondContact NE2-CD2 3.29Å; Q37-H55 VanDerWaalsContact NE2-CD2 3.32Å; Q37-H55 PolarHBondContact NE2-NE2 3.11Å; Q37-H55 PolarHBondContact OE1-CD2 3.11Å
38L97.2Very high97.3Very high27 Ų2736.5 Ų36.514%0.14118%0.182CC..THydrogen-bonded Turntrans-95.921.8-177.9-56.4-173.1000113.3K36 I40 A41 C48 D201 V268 Y269K36-L38 VanDerWaalsContact C-N 3.3Å; K36-L38 PolarHBondContact O-N 3.39Å; L38-I40 PolarHBondContact O-N 2.92Å; L38-A41 HydrophobicContact CB-CB 3.74Å; L38-A41 VanDerWaalsContact O-CB 3.24Å; L38-A41 WeakPolarHBondContact O-CB 3.46Å; L38-A41 PolarHBondContact O-N 3.46Å; L38-C48 HydrophobicContact CD1-CB 4.13Å; L38-D201 HydrophobicContact CD1-CB 4.34Å; L38-D201 WeakPolarHBondContact CD2-OD2 3.44Å; L38-V268 HydrophobicContact CD1-CG1 4.04Å; L38-Y269 HydrophobicContact CD1-CD1 4.35Å; L38-Y269 HydrophobicContact CD1-CE1 4.01Å; L38-Y269 HydrophobicContact CD2-CD1 3.76Å; L38-Y269 HydrophobicContact CD2-CE1 3.39Å; L38-Y269 HydrophobicContact CG-CE1 4.35Å
39G96.2Very high97.2Very high3 Ų340.8 Ų40.83%0.03120%0.202CC..G310 helixtrans49.1-111-178.800000111.5K36 Q37 Y42K36-G39 WeakPolarHBondContact CB-O 3.5Å; K36-G39 PolarHBondContact O-N 3.07Å; Q37-G39 VanDerWaalsContact C-N 3.3Å; Q37-G39 PolarHBondContact O-N 3.29Å; G39-Y42 VanDerWaalsContact O-CD1 3.31Å; G39-Y42 WeakPolarHBondContact O-CD1 3.41Å
40I96.3Very high97.2Very high4 Ų441 Ų412%0.02120%0.203CC..G310 helixtrans-93.91.7-171.862.690000113.1L38 Y42 F43 F103 L106 V274 I277 S278 I281L38-I40 PolarHBondContact O-N 2.92Å; I40-Y42 PolarHBondContact O-N 3.04Å; I40-F43 HydrophobicContact CB-CD2 4.16Å; I40-F43 WeakPolarHBondContact O-CB 3.2Å; I40-F43 WeakPolarHBondContact O-CD2 3.42Å; I40-F43 PolarHBondContact O-N 3.31Å; I40-F103 HydrophobicContact CG2-CB 4.14Å; I40-F103 HydrophobicContact CG2-CD1 3.76Å; I40-F103 HydrophobicContact CG2-CE1 4.5Å; I40-F103 HydrophobicContact CG2-CG 4.06Å; I40-L106 HydrophobicContact CG1-CD2 4.31Å; I40-L106 HydrophobicContact CG2-CD2 4.24Å; I40-V274 HydrophobicContact CD1-CB 4.35Å; I40-V274 HydrophobicContact CD1-CG1 3.58Å; I40-V274 VanDerWaalsContact CD1-O 3.23Å; I40-V274 WeakPolarHBondContact CD1-O 3.45Å; I40-I277 HydrophobicContact CB-CG2 4.47Å; I40-I277 HydrophobicContact CD1-CB 3.84Å; I40-I277 HydrophobicContact CD1-CG2 3.82Å; I40-S278 VanDerWaalsContact CD1-OG 3.32Å; I40-S278 WeakPolarHBondContact CD1-OG 3.34Å; I40-S278 WeakPolarHBondContact CG1-OG 3.38Å; I40-I281 HydrophobicContact CB-CD1 3.99Å; I40-I281 HydrophobicContact CG1-CD1 4.4Å; I40-I281 HydrophobicContact CG2-CD1 3.3Å
41A96.7Very high97.2Very high1 Ų138.5 Ų38.51%0.00819%0.192CC..G310 helixtrans-57.6-24.9-178.800000113L38 F43 V44 F45 V274L38-A41 HydrophobicContact CB-CB 3.74Å; L38-A41 VanDerWaalsContact O-CB 3.24Å; L38-A41 WeakPolarHBondContact O-CB 3.46Å; L38-A41 PolarHBondContact O-N 3.46Å; A41-F43 PolarHBondContact O-N 2.93Å; A41-F43 VanDerWaalsContact O-N 3.15Å; A41-V44 PolarHBondContact O-N 3.03Å; A41-F45 PolarHBondContact O-N 3.32Å; A41-V274 HydrophobicContact CB-CG1 4.35Å; A41-V274 HydrophobicContact CB-CG2 4.28Å
42Y96.7Very high97.2Very high47 Ų4737.8 Ų37.818%0.18419%0.19CC..G310 helixtrans-60.1-21.6176.579.5-82.6000114.3K36 G39 I40 V44 F45 P46 C48K36-Y42 HydrophobicContact CD-CD1 3.45Å; K36-Y42 VanDerWaalsContact CD-CD1 3.45Å; K36-Y42 HydrophobicContact CD-CE1 3.83Å; K36-Y42 HydrophobicContact CD-CG 3.97Å; G39-Y42 VanDerWaalsContact O-CD1 3.31Å; G39-Y42 WeakPolarHBondContact O-CD1 3.41Å; I40-Y42 PolarHBondContact O-N 3.04Å; Y42-V44 PolarHBondContact O-N 2.92Å; Y42-F45 VanDerWaalsContact CA-O 3.31Å; Y42-F45 WeakPolarHBondContact CA-O 3.38Å; Y42-F45 CarbonylContact O-C 3.46Å; Y42-P46 WeakPolarHBondContact O-CA 3.49Å; Y42-C48 WeakPolarHBondContact CB-O 3.37Å
43F96.7Very high97.2Very high34 Ų3438.5 Ų38.515%0.14919%0.193CC..G310 helixtrans-68.1-14.4171.2-78-78000113.4I40 A41 I277 L321 I353 L354 R356I40-F43 HydrophobicContact CB-CD2 4.16Å; I40-F43 WeakPolarHBondContact O-CB 3.2Å; I40-F43 WeakPolarHBondContact O-CD2 3.42Å; I40-F43 PolarHBondContact O-N 3.31Å; A41-F43 PolarHBondContact O-N 2.93Å; A41-F43 VanDerWaalsContact O-N 3.15Å; F43-I277 HydrophobicContact CB-CD1 3.51Å; F43-I277 HydrophobicContact CD2-CG2 4.15Å; F43-I277 HydrophobicContact CG-CD1 4.18Å; F43-I277 HydrophobicContact CG-CG2 4.48Å; F43-L321 HydrophobicContact CE2-CD1 3.82Å; F43-L321 HydrophobicContact CZ-CD1 3.76Å; F43-I353 HydrophobicContact CD1-CG2 4.21Å; F43-I353 HydrophobicContact CE1-CG2 3.89Å; F43-I353 HydrophobicContact CZ-CG2 4.05Å; F43-L354 HydrophobicContact CE1-CD2 4.08Å; F43-L354 HydrophobicContact CZ-CD2 4.47Å; F43-R356 VanDerWaalsContact O-CZ 3.23Å; F43-R356 PolarHBondContact O-NH1 3.42Å; F43-R356 PolarHBondContact O-NH2 3.46Å
44V96.3Very high97.2Very high32 Ų3234.9 Ų34.919%0.19418%0.181CC..THydrogen-bonded Turntrans-114.4-39.4176.9178.80000111A41 Y42 P46 T273 V274 I277A41-V44 PolarHBondContact O-N 3.03Å; Y42-V44 PolarHBondContact O-N 2.92Å; V44-P46 WeakPolarHBondContact O-CD 3.15Å; V44-T273 HydrophobicContact CG2-CG2 3.71Å; V44-V274 HydrophobicContact CB-CG2 3.77Å; V44-V274 HydrophobicContact CG1-CG2 4.38Å; V44-V274 HydrophobicContact CG2-CG2 3.54Å; V44-I277 HydrophobicContact CG2-CD1 4.43Å
45F96.1Very high97.2Very high47 Ų4729.7 Ų29.721%0.20616%0.157CC..SBendtrans-115.188.1179.1-58.1-81.5000108.7A41 Y42 S47 C48 K267 V268 H271 V274A41-F45 PolarHBondContact O-N 3.32Å; Y42-F45 VanDerWaalsContact CA-O 3.31Å; Y42-F45 WeakPolarHBondContact CA-O 3.38Å; Y42-F45 CarbonylContact O-C 3.46Å; F45-S47 PolarHBondContact O-N 3.23Å; F45-C48 HydrophobicContact CB-CB 4.06Å; F45-C48 VanDerWaalsContact CB-SG 3.51Å; F45-C48 WeakPolarHBondContact O-CB 3.48Å; F45-C48 PolarHBondContact O-N 3.01Å; F45-K267 VanDerWaalsContact CZ-O 3.23Å; F45-K267 WeakPolarHBondContact CZ-O 3.38Å; F45-V268 HydrophobicContact CD2-CG1 4.03Å; F45-V268 HydrophobicContact CE2-CB 4.4Å; F45-V268 HydrophobicContact CE2-CG1 4.08Å; F45-H271 HydrophobicContact CE2-CB 4.15Å; F45-H271 HydrophobicContact CZ-CB 4.46Å; F45-V274 HydrophobicContact CE2-CG2 4.3Å
46P96Very high97.2Very high91 Ų9129.7 Ų29.759%0.59116%0.157SC*.THydrogen-bonded Turntrans-57.8-20.8-168.3-26.635.5000115.3Y42 V44 Q49Y42-P46 WeakPolarHBondContact O-CA 3.49Å; V44-P46 WeakPolarHBondContact O-CD 3.15Å; P46-Q49 VanDerWaalsContact O-CG 3.24Å; P46-Q49 WeakPolarHBondContact O-CG 3.28Å; P46-Q49 PolarHBondContact O-NE2 2.82Å
47S95.7Very high97.3Very high84 Ų8427.7 Ų27.759%0.58715%0.148SC*.THydrogen-bonded Turntrans-84.7-14.1176.8-59.90000114.1F45 Q49 H204F45-S47 PolarHBondContact O-N 3.23Å; S47-Q49 PolarHBondContact O-N 3.06Å; S47-H204 CarbonylContact C-O 3.57Å; S47-H204 WeakPolarHBondContact CB-O 3.27Å; S47-H204 PolarHBondContact O-CD2 3.37Å
48C96Very high97.3Very high0 Ų026.9 Ų26.90%015%0.145CC..  trans-74.751.8174-67.20000112.2L38 Y42 F45 A205L38-C48 HydrophobicContact CD1-CB 4.13Å; Y42-C48 WeakPolarHBondContact CB-O 3.37Å; F45-C48 HydrophobicContact CB-CB 4.06Å; F45-C48 VanDerWaalsContact CB-SG 3.51Å; F45-C48 WeakPolarHBondContact O-CB 3.48Å; F45-C48 PolarHBondContact O-N 3.01Å; C48-A205 VanDerWaalsContact SG-CA 3.56Å
49Q96.4Very high97.3Very high112 Ų11225.6 Ų25.652%0.52314%0.138SC..  trans-98.7-4.1-178.7-68.7-176.314.600113.6P46 S47P46-Q49 VanDerWaalsContact O-CG 3.24Å; P46-Q49 WeakPolarHBondContact O-CG 3.28Å; P46-Q49 PolarHBondContact O-NE2 2.82Å; S47-Q49 PolarHBondContact O-N 3.06Å
50H97.7Very high97.5Very high4 Ų425.7 Ų25.72%0.01914%0.137CC..  trans-59.2146.5179.760.6-68.7000111.7Q37 E54 D201 H204Q37-H50 VanDerWaalsContact CB-CD2 3.42Å; Q37-H50 WeakPolarHBondContact CB-CD2 3.43Å; Q37-H50 WeakPolarHBondContact CB-NE2 3.48Å; Q37-H50 PolarHBondContact N-O 3.26Å; H50-E54 WeakPolarHBondContact CA-OE1 3.44Å; H50-E54 HydrophobicContact CB-CG 4.37Å; H50-E54 WeakPolarHBondContact CB-OE1 3.46Å; H50-D201 IonicContact CD2-OD1 3.33Å; H50-D201 IonicContact CE1-OD1 3.97Å; H50-D201 PolarHBondContact CE1-OD1 2.93Å; H50-D201 IonicContact NE2-OD1 2.79Å; H50-D201 PolarHBondContact NE2-OD1 3.22Å; H50-H204 AromaticContact CE1-CG 3.89Å; H50-H204 AromaticContact CG-CD2 3.98Å; H50-H204 AromaticContact CG-CE1 3.99Å; H50-H204 AromaticContact CG-CG 3.71Å; H50-H204 AromaticContact CG-ND1 3.72Å; H50-H204 VanDerWaalsContact ND1-CB 3.34Å; H50-H204 WeakPolarHBondContact ND1-CB 3.48Å; H50-H204 AromaticContact ND1-CD2 3.76Å; H50-H204 AromaticContact ND1-CG 3.31Å; H50-H204 VanDerWaalsContact ND1-CG 3.31Å; H50-H204 AromaticContact ND1-ND1 3.73Å
51S98.5Very high97.5Very high7 Ų726.9 Ų26.95%0.04914%0.143CC..BIsolated β-bridgetrans-105.6166.2-173.686.50000112.1L32 R33 I35 F53 E54L32-S51 VanDerWaalsContact O-CB 3.3Å; L32-S51 WeakPolarHBondContact O-CB 3.41Å; L32-S51 PolarHBondContact O-OG 3.49Å; R33-S51 WeakPolarHBondContact CA-OG 3.47Å; R33-S51 WeakPolarHBondContact O-CB 3.29Å; I35-S51 CarbonylContact O-C 3.58Å; I35-S51 VanDerWaalsContact O-CA 3.27Å; I35-S51 WeakPolarHBondContact O-CA 3.37Å; I35-S51 WeakPolarHBondContact O-CB 3.42Å; S51-F53 PolarHBondContact O-N 3.45Å; S51-F53 VanDerWaalsContact OG-CB 3.27Å; S51-F53 WeakPolarHBondContact OG-CB 3.48Å; S51-F53 PolarHBondContact OG-N 2.82Å; S51-E54 WeakPolarHBondContact CB-OE2 3.45Å; S51-E54 PolarHBondContact N-OE1 3.04Å; S51-E54 PolarHBondContact N-OE2 2.8Å; S51-E54 VanDerWaalsContact O-CD 3.25Å; S51-E54 PolarHBondContact OG-OE2 3.46Å
52R98.6Very high97.6Very high4 Ų426.9 Ų26.92%0.01514%0.142CC..Hα-helixtrans-63.6-18.7173.7-70-165.3171.9-87.27.1112.8L32 I35 S56 D97 H100 S104L32-R52 HydrophobicContact CB-CB 4.15Å; L32-R52 HydrophobicContact CD1-CB 4.47Å; L32-R52 HydrophobicContact CD2-CB 4.03Å; L32-R52 HydrophobicContact CG-CB 4.46Å; I35-R52 HydrophobicContact CG2-CG 4.18Å; I35-R52 PolarHBondContact O-N 3.07Å; R52-S56 VanDerWaalsContact O-CB 3.25Å; R52-S56 WeakPolarHBondContact O-CB 3.35Å; R52-S56 PolarHBondContact O-N 2.79Å; R52-S56 PolarHBondContact O-OG 2.7Å; R52-D97 WeakPolarHBondContact CD-OD2 3.24Å; R52-D97 IonicContact CZ-OD2 2.78Å; R52-D97 IonicContact NE-OD2 2.76Å; R52-D97 IonicContact NH1-OD1 3.57Å; R52-D97 PolarHBondContact NH1-OD1 3.42Å; R52-D97 IonicContact NH1-OD2 2.68Å; R52-D97 PolarHBondContact NH1-OD2 3.44Å; R52-H100 VanDerWaalsContact CD-CD2 3.47Å; R52-H100 WeakPolarHBondContact CD-CD2 3.47Å; R52-H100 PolarHBondContact NE-CD2 3.37Å; R52-H100 PolarHBondContact NH1-CD2 3.17Å; R52-H100 PolarHBondContact NH1-NE2 3.38Å; R52-H100 PolarHBondContact NH2-CE1 2.93Å; R52-H100 PolarHBondContact NH2-ND1 3.5Å; R52-H100 PolarHBondContact NH2-NE2 2.79Å; R52-S104 PolarHBondContact NE-OG 3.34Å; R52-S104 VanDerWaalsContact NH2-CB 3.29Å; R52-S104 PolarHBondContact NH2-OG 3.25Å
53F98.8Very high97.6Very high15 Ų1524.6 Ų24.67%0.06613%0.134CC..Hα-helixtrans-62.7-54.7179.1179.5-88.4000112.1I24 F29 L32 R33 S51 H55 S56 I57I24-F53 HydrophobicContact CG2-CE2 3.94Å; I24-F53 HydrophobicContact CG2-CZ 3.84Å; F29-F53 AromaticContact CD1-CD2 3.64Å; F29-F53 HydrophobicContact CD1-CD2 3.64Å; F29-F53 AromaticContact CD1-CE2 3.54Å; F29-F53 HydrophobicContact CD1-CE2 3.54Å; F29-F53 AromaticContact CE1-CD2 3.5Å; F29-F53 HydrophobicContact CE1-CD2 3.5Å; F29-F53 AromaticContact CE1-CE2 3.51Å; F29-F53 HydrophobicContact CE1-CE2 3.51Å; F29-F53 HydrophobicContact CE1-CG 4.31Å; F29-F53 HydrophobicContact CE1-CZ 4.3Å; L32-F53 HydrophobicContact CB-CB 3.93Å; R33-F53 HydrophobicContact CG-CB 3.92Å; R33-F53 HydrophobicContact CG-CD1 4.32Å; R33-F53 HydrophobicContact CG-CD2 3.79Å; R33-F53 HydrophobicContact CG-CE2 4.42Å; R33-F53 HydrophobicContact CG-CG 3.75Å; R33-F53 VanDerWaalsContact NH2-CE1 3.33Å; S51-F53 PolarHBondContact O-N 3.45Å; S51-F53 VanDerWaalsContact OG-CB 3.27Å; S51-F53 WeakPolarHBondContact OG-CB 3.48Å; S51-F53 PolarHBondContact OG-N 2.82Å; F53-H55 VanDerWaalsContact C-N 3.34Å; F53-S56 PolarHBondContact O-N 3.26Å; F53-I57 HydrophobicContact CD1-CD1 3.89Å; F53-I57 HydrophobicContact CE1-CD1 3.29Å; F53-I57 HydrophobicContact CE2-CD1 4.39Å; F53-I57 HydrophobicContact CZ-CD1 3.57Å; F53-I57 PolarHBondContact O-N 2.88Å; F53-I57 VanDerWaalsContact O-N 3.16Å
54E98.4Very high97.7Very high47 Ų4723.6 Ų23.622%0.2213%0.129CC..Hα-helixtrans-70.8-31.2179.359.1-93.7-140.900112.4H50 S51 I57 G58 R200H50-E54 WeakPolarHBondContact CA-OE1 3.44Å; H50-E54 HydrophobicContact CB-CG 4.37Å; H50-E54 WeakPolarHBondContact CB-OE1 3.46Å; S51-E54 WeakPolarHBondContact CB-OE2 3.45Å; S51-E54 PolarHBondContact N-OE1 3.04Å; S51-E54 PolarHBondContact N-OE2 2.8Å; S51-E54 VanDerWaalsContact O-CD 3.25Å; S51-E54 PolarHBondContact OG-OE2 3.46Å; E54-I57 PolarHBondContact O-N 3.26Å; E54-G58 PolarHBondContact O-N 3.02Å; E54-R200 PolarHBondContact O-NH2 3.46Å
55H98.6Very high97.7Very high1 Ų124.7 Ų24.71%0.00513%0.131CC..Hα-helixtrans-62.3-49.3171.9172.948000111.3Q37 F53 I57 G58 T59 H96 D97 D193 D196Q37-H55 PolarHBondContact NE2-CD2 3.29Å; Q37-H55 VanDerWaalsContact NE2-CD2 3.32Å; Q37-H55 PolarHBondContact NE2-NE2 3.11Å; Q37-H55 PolarHBondContact OE1-CD2 3.11Å; F53-H55 VanDerWaalsContact C-N 3.34Å; H55-I57 VanDerWaalsContact C-N 3.32Å; H55-I57 PolarHBondContact O-N 3.19Å; H55-G58 CarbonylContact O-C 3.54Å; H55-G58 WeakPolarHBondContact O-CA 3.23Å; H55-G58 PolarHBondContact O-N 3.19Å; H55-T59 PolarHBondContact CE1-OG1 2.76Å; H55-T59 VanDerWaalsContact CE1-OG1 3.32Å; H55-T59 PolarHBondContact O-N 3.05Å; H55-T59 PolarHBondContact O-OG1 3.48Å; H55-T59 VanDerWaalsContact O-OG1 3.09Å; H55-H96 AromaticContact NE2-NE2 3.67Å; H55-D97 IonicContact CD2-OD2 3.57Å; H55-D97 PolarHBondContact CD2-OD2 2.85Å; H55-D97 VanDerWaalsContact CD2-OD2 3.24Å; H55-D97 IonicContact NE2-OD2 3.21Å; H55-D193 IonicContact CE1-OD1 2.72Å; H55-D193 PolarHBondContact CE1-OD1 2.76Å; H55-D193 IonicContact NE2-OD1 2.65Å; H55-D193 PolarHBondContact NE2-OD1 3.37Å; H55-D196 WeakPolarHBondContact CA-OD2 3.47Å; H55-D196 IonicContact CE1-OD2 2.61Å; H55-D196 IonicContact CG-OD2 3.33Å; H55-D196 IonicContact ND1-OD2 3.35Å; H55-D196 PolarHBondContact ND1-OD2 3.08Å
56S98.8Very high97.7Very high0 Ų022.4 Ų22.40%012%0.121CC..Hα-helixtrans-57.4-41.9176.7-67.30000112.9R52 F53 Y60 L94 D97R52-S56 VanDerWaalsContact O-CB 3.25Å; R52-S56 WeakPolarHBondContact O-CB 3.35Å; R52-S56 PolarHBondContact O-N 2.79Å; R52-S56 PolarHBondContact O-OG 2.7Å; F53-S56 PolarHBondContact O-N 3.26Å; S56-Y60 PolarHBondContact O-N 3.15Å; S56-L94 WeakPolarHBondContact CB-O 3.42Å; S56-D97 WeakPolarHBondContact OG-CB 3.4Å
57I98.7Very high97.8Very high5 Ų518.4 Ų18.43%0.02610%0.095CC..Hα-helixtrans-66.6-39.8175.1-72.4170.8000111.6I14 L16 I24 F29 F53 E54 H55 Y60 H61 L94I14-I57 HydrophobicContact CD1-CG2 3.8Å; I14-I57 HydrophobicContact CG2-CG2 4.18Å; L16-I57 HydrophobicContact CD2-CG2 4.29Å; I24-I57 HydrophobicContact CD1-CD1 4.22Å; I24-I57 HydrophobicContact CD1-CG1 3.99Å; F29-I57 HydrophobicContact CE1-CG1 4.4Å; F29-I57 HydrophobicContact CZ-CG1 4.36Å; F53-I57 HydrophobicContact CD1-CD1 3.89Å; F53-I57 HydrophobicContact CE1-CD1 3.29Å; F53-I57 HydrophobicContact CE2-CD1 4.39Å; F53-I57 HydrophobicContact CZ-CD1 3.57Å; F53-I57 PolarHBondContact O-N 2.88Å; F53-I57 VanDerWaalsContact O-N 3.16Å; E54-I57 PolarHBondContact O-N 3.26Å; H55-I57 VanDerWaalsContact C-N 3.32Å; H55-I57 PolarHBondContact O-N 3.19Å; I57-Y60 WeakPolarHBondContact O-CB 3.41Å; I57-Y60 PolarHBondContact O-N 3.19Å; I57-H61 PolarHBondContact O-N 2.97Å; I57-L94 HydrophobicContact CG1-CD1 4.31Å
58G98.4Very high97.8Very high0 Ų018.3 Ų18.30%09%0.085CC..Hα-helixtrans-65.4-43.7175.700000112.8E54 H55 Y60 H61 M62 D196E54-G58 PolarHBondContact O-N 3.02Å; H55-G58 CarbonylContact O-C 3.54Å; H55-G58 WeakPolarHBondContact O-CA 3.23Å; H55-G58 PolarHBondContact O-N 3.19Å; G58-Y60 VanDerWaalsContact C-N 3.34Å; G58-Y60 PolarHBondContact O-N 3.24Å; G58-H61 WeakPolarHBondContact O-CA 3.41Å; G58-H61 WeakPolarHBondContact O-CB 3.3Å; G58-H61 PolarHBondContact O-N 3.34Å; G58-M62 VanDerWaalsContact O-CG 3.29Å; G58-M62 WeakPolarHBondContact O-CG 3.16Å; G58-M62 PolarHBondContact O-N 3.22Å; G58-D196 WeakPolarHBondContact CA-OD1 3.41Å
59T98.6Very high97.7Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-62.2-39.8175.1-56.60000111.6H55 M62 A63 A93 L183 V192 D193H55-T59 PolarHBondContact CE1-OG1 2.76Å; H55-T59 VanDerWaalsContact CE1-OG1 3.32Å; H55-T59 PolarHBondContact O-N 3.05Å; H55-T59 PolarHBondContact O-OG1 3.48Å; H55-T59 VanDerWaalsContact O-OG1 3.09Å; T59-M62 PolarHBondContact O-N 3.36Å; T59-A63 PolarHBondContact O-N 3.48Å; T59-A93 HydrophobicContact CG2-CB 4.15Å; T59-L183 HydrophobicContact CG2-CD1 3.91Å; T59-V192 HydrophobicContact CG2-CG2 3.91Å; T59-D193 HydrophobicContact CG2-CB 4.08Å
60Y98.7Very high97.7Very high4 Ų415.3 Ų15.32%0.0167%0.074CC..Hα-helixtrans-57.5-46.9168.9167.5-89.1000112.3L16 A20 S56 I57 G58 M62 A63 K64 R90 L94L16-Y60 HydrophobicContact CD2-CD1 3.72Å; L16-Y60 HydrophobicContact CD2-CE1 3.67Å; A20-Y60 HydrophobicContact CB-CD2 4.47Å; A20-Y60 HydrophobicContact CB-CE1 4.45Å; A20-Y60 HydrophobicContact CB-CE2 3.78Å; S56-Y60 PolarHBondContact O-N 3.15Å; I57-Y60 WeakPolarHBondContact O-CB 3.41Å; I57-Y60 PolarHBondContact O-N 3.19Å; G58-Y60 VanDerWaalsContact C-N 3.34Å; G58-Y60 PolarHBondContact O-N 3.24Å; Y60-M62 VanDerWaalsContact C-N 3.34Å; Y60-M62 PolarHBondContact O-N 2.98Å; Y60-A63 PolarHBondContact O-N 3.48Å; Y60-K64 HydrophobicContact CE1-CD 4.45Å; Y60-K64 WeakPolarHBondContact O-CB 3.48Å; Y60-K64 PolarHBondContact O-N 3.35Å; Y60-R90 HydrophobicContact CD2-CB 3.94Å; Y60-R90 WeakPolarHBondContact CD2-O 3.42Å; Y60-R90 HydrophobicContact CE2-CB 3.72Å; Y60-R90 HydrophobicContact CE2-CG 4.47Å; Y60-L94 HydrophobicContact CD2-CB 3.92Å; Y60-L94 HydrophobicContact CD2-CD2 4.31Å; Y60-L94 HydrophobicContact CD2-CG 4.48Å; Y60-L94 HydrophobicContact CG-CB 4.31Å; Y60-L94 HydrophobicContact CG-CD1 4.26Å
61H98.1Very high97.5Very high30 Ų3020.7 Ų20.714%0.13910%0.099CC..Hα-helixtrans-61.3-44.1179177.671.1000111.7H11 I14 I57 G58 K64 K65H11-H61 AromaticContact CG-CD2 3.7Å; H11-H61 AromaticContact ND1-CD2 3.95Å; I14-H61 HydrophobicContact CD1-CB 3.92Å; I14-H61 HydrophobicContact CG1-CB 4.05Å; I14-H61 HydrophobicContact CG2-CB 3.89Å; I57-H61 PolarHBondContact O-N 2.97Å; G58-H61 WeakPolarHBondContact O-CA 3.41Å; G58-H61 WeakPolarHBondContact O-CB 3.3Å; G58-H61 PolarHBondContact O-N 3.34Å; H61-K64 PolarHBondContact O-N 3.03Å; H61-K65 WeakPolarHBondContact O-CB 3.37Å; H61-K65 PolarHBondContact O-N 2.95Å
62M97.3Very high97.3Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-63.6-42.3177.8-67.1-60-75.200112H11 G58 T59 Y60 K65 L66 V192 W195 D196 I216 L220H11-M62 PolarHBondContact CE1-SD 2.73Å; G58-M62 VanDerWaalsContact O-CG 3.29Å; G58-M62 WeakPolarHBondContact O-CG 3.16Å; G58-M62 PolarHBondContact O-N 3.22Å; T59-M62 PolarHBondContact O-N 3.36Å; Y60-M62 VanDerWaalsContact C-N 3.34Å; Y60-M62 PolarHBondContact O-N 2.98Å; M62-K65 PolarHBondContact O-N 3.08Å; M62-L66 WeakPolarHBondContact O-CB 3.41Å; M62-L66 PolarHBondContact O-N 3.5Å; M62-V192 HydrophobicContact CB-CB 3.73Å; M62-V192 HydrophobicContact CB-CG1 4.08Å; M62-W195 HydrophobicContact CE-CB 3.76Å; M62-W195 HydrophobicContact CE-CE3 4.1Å; M62-D196 HydrophobicContact CG-CB 4.41Å; M62-I216 HydrophobicContact CE-CG2 3.4Å; M62-I216 VanDerWaalsContact CE-CG2 3.4Å; M62-L220 HydrophobicContact CE-CD1 3.74Å; M62-L220 HydrophobicContact SD-CD1 4.32Å
63A98.1Very high97Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-59.6-48.4171.900000111.9T59 Y60 K65 L66 L67 R90 A93 V192T59-A63 PolarHBondContact O-N 3.48Å; Y60-A63 PolarHBondContact O-N 3.48Å; A63-K65 PolarHBondContact O-N 2.68Å; A63-L66 PolarHBondContact O-N 3.28Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 WeakPolarHBondContact O-CD1 3.42Å; A63-L67 VanDerWaalsContact O-CG 3.22Å; A63-L67 WeakPolarHBondContact O-CG 3.24Å; A63-L67 PolarHBondContact O-N 3.29Å; A63-R90 HydrophobicContact CB-CG 4.46Å; A63-A93 HydrophobicContact CB-CB 3.57Å; A63-V192 HydrophobicContact CB-CG2 4.11Å
64K97.5Very high96.6Very high12 Ų1236.1 Ų36.15%0.05217%0.172CC..Hα-helixtrans-56.2-49.9177179.4-178.9171.3-177.10110.8E15 Y60 H61 L66 L67 E68 R90E15-K64 PolarHBondContact O-NZ 2.83Å; E15-K64 IonicContact OE2-NZ 3.51Å; E15-K64 PolarHBondContact OE2-NZ 3.21Å; Y60-K64 HydrophobicContact CE1-CD 4.45Å; Y60-K64 WeakPolarHBondContact O-CB 3.48Å; Y60-K64 PolarHBondContact O-N 3.35Å; H61-K64 PolarHBondContact O-N 3.03Å; K64-L66 PolarHBondContact O-N 2.95Å; K64-L67 PolarHBondContact O-N 2.92Å; K64-E68 WeakPolarHBondContact CE-OE1 3.37Å; K64-E68 HydrophobicContact CG-CG 4.41Å; K64-E68 WeakPolarHBondContact CG-OE1 3.48Å; K64-E68 IonicContact NZ-OE1 3.33Å; K64-E68 WeakPolarHBondContact O-CB 3.44Å; K64-E68 VanDerWaalsContact O-CG 3.31Å; K64-E68 WeakPolarHBondContact O-CG 3.35Å; K64-E68 PolarHBondContact O-N 2.86Å; K64-R90 HydrophobicContact CB-CG 4.47Å
65K96.4Very high96.2Very high55 Ų5539.8 Ų39.824%0.23919%0.193CC..Hα-helixtrans-62.1-41.6-179.2-171.5173.7179.6176.80112.7H61 M62 A63 T69 D217 L220H61-K65 WeakPolarHBondContact O-CB 3.37Å; H61-K65 PolarHBondContact O-N 2.95Å; M62-K65 PolarHBondContact O-N 3.08Å; A63-K65 PolarHBondContact O-N 2.68Å; K65-T69 WeakPolarHBondContact O-CB 3.4Å; K65-T69 PolarHBondContact O-N 3.09Å; K65-T69 PolarHBondContact O-OG1 3.19Å; K65-D217 IonicContact NZ-OD1 3.93Å; K65-D217 PolarHBondContact NZ-OD1 3.32Å; K65-D217 IonicContact NZ-OD2 2.76Å; K65-D217 PolarHBondContact NZ-OD2 3.11Å; K65-L220 HydrophobicContact CB-CD1 4.4Å; K65-L220 HydrophobicContact CD-CD1 3.63Å; K65-L220 HydrophobicContact CG-CD1 3.95Å
66L97.1Very high95.9Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-64.2-47.9176.1179.657.3000111.3M62 A63 K64 E68 T69 I70 I182 V192 W195 L220 Y223 L244M62-L66 WeakPolarHBondContact O-CB 3.41Å; M62-L66 PolarHBondContact O-N 3.5Å; A63-L66 PolarHBondContact O-N 3.28Å; K64-L66 PolarHBondContact O-N 2.95Å; L66-E68 PolarHBondContact O-N 3.46Å; L66-T69 PolarHBondContact O-N 3.12Å; L66-I70 HydrophobicContact CD1-CD1 4Å; L66-I70 HydrophobicContact CD1-CG1 4.3Å; L66-I70 HydrophobicContact CG-CD1 4Å; L66-I70 WeakPolarHBondContact O-CG1 3.39Å; L66-I70 PolarHBondContact O-N 3.31Å; L66-I182 HydrophobicContact CD2-CG1 4.14Å; L66-I182 HydrophobicContact CD2-CG2 4.09Å; L66-V192 HydrophobicContact CB-CG1 4.48Å; L66-V192 HydrophobicContact CD2-CG1 4.1Å; L66-W195 HydrophobicContact CD2-CZ3 4.35Å; L66-L220 HydrophobicContact CB-CD2 3.92Å; L66-L220 HydrophobicContact CD1-CD2 3.91Å; L66-L220 HydrophobicContact CG-CD2 4.37Å; L66-Y223 HydrophobicContact CD1-CD1 3.93Å; L66-Y223 HydrophobicContact CD2-CD1 4.23Å; L66-L244 HydrophobicContact CD2-CD1 4.49Å
67L97.1Very high95.5Very high6 Ų647 Ų473%0.03124%0.238CC..Hα-helixtrans-61.9-44.3179.4-68.3167.9000111.9A63 K64 T69 I70 H71 L81 Q86 I89 R90 I182A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 WeakPolarHBondContact O-CD1 3.42Å; A63-L67 VanDerWaalsContact O-CG 3.22Å; A63-L67 WeakPolarHBondContact O-CG 3.24Å; A63-L67 PolarHBondContact O-N 3.29Å; K64-L67 PolarHBondContact O-N 2.92Å; L67-T69 VanDerWaalsContact C-N 3.3Å; L67-T69 PolarHBondContact O-N 3.41Å; L67-I70 PolarHBondContact O-N 3.12Å; L67-H71 VanDerWaalsContact O-CB 3.28Å; L67-H71 WeakPolarHBondContact O-CB 3.38Å; L67-H71 PolarHBondContact O-N 2.83Å; L67-L81 HydrophobicContact CD2-CD1 3.62Å; L67-Q86 HydrophobicContact CD1-CB 4.22Å; L67-Q86 HydrophobicContact CD2-CG 4.32Å; L67-I89 HydrophobicContact CD1-CB 4.12Å; L67-I89 HydrophobicContact CD1-CG2 3.96Å; L67-I89 HydrophobicContact CD2-CD1 3.98Å; L67-I89 HydrophobicContact CD2-CG2 4.48Å; L67-R90 HydrophobicContact CD1-CG 3.65Å; L67-I182 HydrophobicContact CD2-CD1 3.89Å
68E95.6Very high95.3Very high83 Ų8347.3 Ų47.339%0.38824%0.242SC..Hα-helixtrans-62.2-38174.8-74.5172.4173.200111.8K64 L66 H71 N72K64-E68 WeakPolarHBondContact CE-OE1 3.37Å; K64-E68 HydrophobicContact CG-CG 4.41Å; K64-E68 WeakPolarHBondContact CG-OE1 3.48Å; K64-E68 IonicContact NZ-OE1 3.33Å; K64-E68 WeakPolarHBondContact O-CB 3.44Å; K64-E68 VanDerWaalsContact O-CG 3.31Å; K64-E68 WeakPolarHBondContact O-CG 3.35Å; K64-E68 PolarHBondContact O-N 2.86Å; L66-E68 PolarHBondContact O-N 3.46Å; E68-H71 PolarHBondContact O-N 2.93Å; E68-N72 VanDerWaalsContact O-CB 3.22Å; E68-N72 WeakPolarHBondContact O-CB 3.44Å; E68-N72 VanDerWaalsContact O-CG 3.24Å; E68-N72 PolarHBondContact O-N 3.4Å; E68-N72 PolarHBondContact O-ND2 3.02Å
69T94.5Very high95.1Very high39 Ų3948 Ų4824%0.23925%0.247CC..Hα-helixtrans-65.8-45.7177.5-590000111.3K65 L66 L67 D73 L220K65-T69 WeakPolarHBondContact O-CB 3.4Å; K65-T69 PolarHBondContact O-N 3.09Å; K65-T69 PolarHBondContact O-OG1 3.19Å; L66-T69 PolarHBondContact O-N 3.12Å; L67-T69 VanDerWaalsContact C-N 3.3Å; L67-T69 PolarHBondContact O-N 3.41Å; T69-D73 WeakPolarHBondContact O-CB 3.48Å; T69-D73 PolarHBondContact O-N 3.16Å; T69-D73 VanDerWaalsContact O-N 3.09Å; T69-L220 WeakPolarHBondContact CG2-O 3.48Å
70I95.6Very high94.8Very high10 Ų1052.7 Ų52.75%0.05128%0.276CS..Hα-helixtrans-62.7-45.4176.1-65.5165.5000110.5L66 L67 N72 D73 Y76 R224 L244L66-I70 HydrophobicContact CD1-CD1 4Å; L66-I70 HydrophobicContact CD1-CG1 4.3Å; L66-I70 HydrophobicContact CG-CD1 4Å; L66-I70 WeakPolarHBondContact O-CG1 3.39Å; L66-I70 PolarHBondContact O-N 3.31Å; L67-I70 PolarHBondContact O-N 3.12Å; I70-N72 PolarHBondContact O-N 2.97Å; I70-D73 PolarHBondContact O-N 3.26Å; I70-Y76 HydrophobicContact CG2-CD1 3.81Å; I70-Y76 HydrophobicContact CG2-CE1 3.72Å; I70-Y76 HydrophobicContact CG2-CG 4.31Å; I70-R224 HydrophobicContact CG1-CB 4.19Å; I70-L244 HydrophobicContact CD1-CD2 4.01Å
71H94Very high94.7Very high117 Ų11753.2 Ų53.254%0.54228%0.279SS..Hα-helixtrans-64.5-39-178.4-173.676.3000112.8L67 E68L67-H71 VanDerWaalsContact O-CB 3.28Å; L67-H71 WeakPolarHBondContact O-CB 3.38Å; L67-H71 PolarHBondContact O-N 2.83Å; E68-H71 PolarHBondContact O-N 2.93Å
72N93.7Very high94.5Very high113 Ų11354 Ų5460%0.60429%0.288SS*.Hα-helixtrans-87.6-6.3-177.9-67.1-44.5000113.7E68 I70 K74E68-N72 VanDerWaalsContact O-CB 3.22Å; E68-N72 WeakPolarHBondContact O-CB 3.44Å; E68-N72 VanDerWaalsContact O-CG 3.24Å; E68-N72 PolarHBondContact O-N 3.4Å; E68-N72 PolarHBondContact O-ND2 3.02Å; I70-N72 PolarHBondContact O-N 2.97Å; N72-K74 PolarHBondContact O-N 2.9Å; N72-K74 VanDerWaalsContact O-N 3.17Å
73D92.9Very high94.4Very high34 Ų3459.6 Ų59.618%0.18231%0.309CS..  trans-76.6104.1179.9-175.62.5000111.7T69 I70 N75 Y76 R224T69-D73 WeakPolarHBondContact O-CB 3.48Å; T69-D73 PolarHBondContact O-N 3.16Å; T69-D73 VanDerWaalsContact O-N 3.09Å; I70-D73 PolarHBondContact O-N 3.26Å; D73-N75 PolarHBondContact O-N 3.07Å; D73-N75 WeakPolarHBondContact OD1-CB 3.19Å; D73-N75 PolarHBondContact OD1-N 2.9Å; D73-N75 PolarHBondContact OD1-ND2 2.76Å; D73-Y76 WeakPolarHBondContact O-CB 3.46Å; D73-Y76 PolarHBondContact O-N 3.45Å; D73-R224 IonicContact OD1-NH1 3.6Å; D73-R224 WeakPolarHBondContact OD2-CD 3.37Å; D73-R224 IonicContact OD2-CZ 3.02Å; D73-R224 VanDerWaalsContact OD2-CZ 3.29Å; D73-R224 IonicContact OD2-NE 3.32Å; D73-R224 PolarHBondContact OD2-NE 2.89Å; D73-R224 IonicContact OD2-NH1 2.83Å; D73-R224 PolarHBondContact OD2-NH1 3.29Å
74K91.6Very high94.4Very high203 Ų20361.1 Ų61.188%0.88332%0.32SS*.THydrogen-bonded Turntrans-59.6-19177.2-60.4-176.3-178.9-178.50114.2N72N72-K74 PolarHBondContact O-N 2.9Å; N72-K74 VanDerWaalsContact O-N 3.17Å
75N89.6Confident94.3Very high124 Ų12461.2 Ų61.266%0.66332%0.321SS*.THydrogen-bonded Turntrans-93.4-1.3178.4-55-68000112.4D73 R224D73-N75 PolarHBondContact O-N 3.07Å; D73-N75 WeakPolarHBondContact OD1-CB 3.19Å; D73-N75 PolarHBondContact OD1-N 2.9Å; D73-N75 PolarHBondContact OD1-ND2 2.76Å; N75-R224 PolarHBondContact O-NH1 3.33Å
76Y92.4Very high94.4Very high39 Ų3960 Ų6015%0.15332%0.316CS..  trans-83.6125.2176.3176.9-119.7000109.8I70 D73 G78 P79 P225 W242I70-Y76 HydrophobicContact CG2-CD1 3.81Å; I70-Y76 HydrophobicContact CG2-CE1 3.72Å; I70-Y76 HydrophobicContact CG2-CG 4.31Å; D73-Y76 WeakPolarHBondContact O-CB 3.46Å; D73-Y76 PolarHBondContact O-N 3.45Å; Y76-G78 VanDerWaalsContact CZ-CA 3.45Å; Y76-G78 VanDerWaalsContact OH-C 3.3Å; Y76-G78 WeakPolarHBondContact OH-CA 3.4Å; Y76-P79 PolarHBondContact OH-O 3.08Å; Y76-P225 HydrophobicContact CE2-CB 3.76Å; Y76-P225 HydrophobicContact CE2-CG 3.79Å; Y76-P225 WeakPolarHBondContact CE2-O 3.35Å; Y76-P225 WeakPolarHBondContact OH-CG 3.3Å; Y76-W242 HydrophobicContact CE2-CZ3 4.47Å
77S90.5Very high94.4Very high112 Ų11260.1 Ų60.178%0.78332%0.317SS*.  trans-122.214.6-177.358.20000113.2
78G93.1Very high94.4Very high12 Ų1259.9 Ų59.912%0.12432%0.315CS..SBendtrans-88.6-173-178.700000114.6Y76 T80 W242Y76-G78 VanDerWaalsContact CZ-CA 3.45Å; Y76-G78 VanDerWaalsContact OH-C 3.3Å; Y76-G78 WeakPolarHBondContact OH-CA 3.4Å; G78-T80 PolarHBondContact O-N 3.44Å; G78-W242 VanDerWaalsContact CA-CZ3 3.44Å
79P94Very high94.5Very high14 Ų1456 Ų569%0.09130%0.298CS..PPolyproline II helixtrans-57.8121.8-179.7-2534.3000112.2Y76 N175 K176 F178 W242Y76-P79 PolarHBondContact OH-O 3.08Å; P79-N175 HydrophobicContact CG-CB 4.37Å; P79-N175 WeakPolarHBondContact CG-O 3.3Å; P79-K176 HydrophobicContact CB-CG 3.71Å; P79-F178 HydrophobicContact CB-CE1 4.35Å; P79-F178 HydrophobicContact CG-CE1 4.45Å; P79-W242 VanDerWaalsContact CD-CD2 3.44Å; P79-W242 HydrophobicContact CG-CD2 4.09Å; P79-W242 HydrophobicContact CG-CG 4.02Å
80T93.8Very high94.7Very high100 Ų10054.8 Ų54.861%0.61329%0.288SS*.PPolyproline II helixtrans-73.5135.6177.1-480000111G78 K176G78-T80 PolarHBondContact O-N 3.44Å; T80-K176 WeakPolarHBondContact O-CE 3.14Å; T80-K176 PolarHBondContact O-NZ 2.92Å; T80-K176 VanDerWaalsContact O-NZ 3.08Å
81L95.3Very high94.9Very high15 Ų1554.5 Ų54.58%0.07929%0.287CS..PPolyproline II helixtrans-83.9129.3170.8-60.4179.6000110.4L67 E85 Q86 I89 K176 F178 I179L67-L81 HydrophobicContact CD2-CD1 3.62Å; L81-E85 VanDerWaalsContact CA-OE2 3.22Å; L81-E85 WeakPolarHBondContact CA-OE2 3.24Å; L81-E85 HydrophobicContact CB-CB 4.39Å; L81-Q86 HydrophobicContact CB-CG 3.67Å; L81-Q86 HydrophobicContact CD1-CG 4.31Å; L81-Q86 PolarHBondContact O-NE2 3.09Å; L81-I89 HydrophobicContact CD1-CD1 3.89Å; L81-K176 HydrophobicContact CD2-CB 4.49Å; L81-K176 HydrophobicContact CD2-CD 3.84Å; L81-K176 HydrophobicContact CD2-CG 4.2Å; L81-F178 HydrophobicContact CD1-CE2 4.27Å; L81-F178 HydrophobicContact CD2-CE2 4.28Å; L81-F178 HydrophobicContact CD2-CZ 3.97Å; L81-F178 HydrophobicContact CG-CE2 4.44Å; L81-F178 HydrophobicContact CG-CZ 4.31Å; L81-I179 HydrophobicContact CD1-CG2 4.29Å; L81-I179 HydrophobicContact CD2-CG2 3.6Å
82S95.2Very high95.1Very high46 Ų4648.9 Ų48.932%0.32226%0.261SS..PPolyproline II helixtrans-64.1163172.276.90000110.7S84 E85 Q86S82-S84 PolarHBondContact O-N 3.2Å; S82-S84 PolarHBondContact OG-N 2.94Å; S82-S84 PolarHBondContact OG-OG 3.23Å; S82-E85 PolarHBondContact N-OE2 2.55Å; S82-E85 PolarHBondContact O-N 3.41Å; S82-E85 WeakPolarHBondContact OG-CB 3.4Å; S82-E85 VanDerWaalsContact OG-CG 3.24Å; S82-E85 WeakPolarHBondContact OG-CG 3.36Å; S82-E85 PolarHBondContact OG-N 3.27Å; S82-Q86 WeakPolarHBondContact O-CG 3.29Å; S82-Q86 PolarHBondContact O-N 2.78Å
83Y95.4Very high95.3Very high117 Ų11743.5 Ų43.546%0.45923%0.232SC..Hα-helixtrans-57.9-40.2173.6179.3-97.8000111.9Q86 L87 L148Y83-Q86 PolarHBondContact O-N 3.36Å; Y83-L87 HydrophobicContact CE1-CD2 3.94Å; Y83-L87 VanDerWaalsContact O-CB 3.28Å; Y83-L87 WeakPolarHBondContact O-CB 3.32Å; Y83-L87 PolarHBondContact O-N 3.29Å; Y83-L148 HydrophobicContact CD1-CD2 4.42Å; Y83-L148 HydrophobicContact CE1-CD1 4.33Å; Y83-L148 HydrophobicContact CE1-CD2 3.94Å
84S96.2Very high95.6Very high32 Ų3241.9 Ų41.922%0.22422%0.224CC..Hα-helixtrans-66.5-38.5179.161.30000112.9S82 L87 A88 L148 G149S82-S84 PolarHBondContact O-N 3.2Å; S82-S84 PolarHBondContact OG-N 2.94Å; S82-S84 PolarHBondContact OG-OG 3.23Å; S84-L87 PolarHBondContact O-N 3.39Å; S84-A88 WeakPolarHBondContact O-CB 3.13Å; S84-A88 PolarHBondContact O-N 3.28Å; S84-L148 VanDerWaalsContact CB-O 3.31Å; S84-L148 WeakPolarHBondContact CB-O 3.3Å; S84-G149 VanDerWaalsContact CB-O 3.3Å; S84-G149 WeakPolarHBondContact CB-O 3.26Å
85E96.7Very high95.9Very high14 Ų1432.2 Ų32.27%0.06518%0.181CC..Hα-helixtrans-65.8-45.6174.7-70.9165.4171.800111.2L81 S82 L87 A88 I89 L173 K176L81-E85 VanDerWaalsContact CA-OE2 3.22Å; L81-E85 WeakPolarHBondContact CA-OE2 3.24Å; L81-E85 HydrophobicContact CB-CB 4.39Å; S82-E85 PolarHBondContact N-OE2 2.55Å; S82-E85 PolarHBondContact O-N 3.41Å; S82-E85 WeakPolarHBondContact OG-CB 3.4Å; S82-E85 VanDerWaalsContact OG-CG 3.24Å; S82-E85 WeakPolarHBondContact OG-CG 3.36Å; S82-E85 PolarHBondContact OG-N 3.27Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 2.9Å; E85-A88 WeakPolarHBondContact O-CB 3.44Å; E85-A88 PolarHBondContact O-N 2.88Å; E85-I89 WeakPolarHBondContact O-CD1 3.15Å; E85-I89 WeakPolarHBondContact O-CG1 3.35Å; E85-I89 PolarHBondContact O-N 3.19Å; E85-L173 HydrophobicContact CG-CD2 4.07Å; E85-L173 WeakPolarHBondContact OE1-CD2 3.45Å; E85-K176 IonicContact OE1-NZ 3.95Å; E85-K176 PolarHBondContact OE1-NZ 3.11Å; E85-K176 IonicContact OE2-NZ 2.63Å; E85-K176 PolarHBondContact OE2-NZ 3Å
86Q97.3Very high96.3Very high30 Ų3027 Ų2714%0.1415%0.153CC..Hα-helixtrans-62.6-40176-67.6-179.654.600111.9L67 L81 S82 Y83 I89 R90L67-Q86 HydrophobicContact CD1-CB 4.22Å; L67-Q86 HydrophobicContact CD2-CG 4.32Å; L81-Q86 HydrophobicContact CB-CG 3.67Å; L81-Q86 HydrophobicContact CD1-CG 4.31Å; L81-Q86 PolarHBondContact O-NE2 3.09Å; S82-Q86 WeakPolarHBondContact O-CG 3.29Å; S82-Q86 PolarHBondContact O-N 2.78Å; Y83-Q86 PolarHBondContact O-N 3.36Å; Q86-I89 PolarHBondContact O-N 2.79Å; Q86-R90 WeakPolarHBondContact O-CG 3.5Å; Q86-R90 PolarHBondContact O-N 3.15Å; Q86-R90 VanDerWaalsContact O-N 3.12Å; Q86-R90 PolarHBondContact O-NE 3.34Å
87L97.5Very high96.6Very high3 Ų325.4 Ų25.42%0.01615%0.147CC..Hα-helixtrans-66.7-41.1175.9-179.756.3000111.7L19 Y83 S84 E85 I89 R90 I91 L148 V150L19-L87 HydrophobicContact CD1-CD1 4.05Å; L19-L87 HydrophobicContact CD1-CD2 3.55Å; L19-L87 HydrophobicContact CD1-CG 4.36Å; Y83-L87 HydrophobicContact CE1-CD2 3.94Å; Y83-L87 VanDerWaalsContact O-CB 3.28Å; Y83-L87 WeakPolarHBondContact O-CB 3.32Å; Y83-L87 PolarHBondContact O-N 3.29Å; S84-L87 PolarHBondContact O-N 3.39Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 2.9Å; L87-I89 PolarHBondContact O-N 3.14Å; L87-R90 PolarHBondContact O-N 2.9Å; L87-I91 HydrophobicContact CD1-CD1 3.92Å; L87-I91 HydrophobicContact CD1-CG1 4.12Å; L87-I91 HydrophobicContact CG-CD1 3.91Å; L87-I91 WeakPolarHBondContact O-CG1 3.44Å; L87-I91 PolarHBondContact O-N 2.87Å; L87-L148 HydrophobicContact CD2-CB 4.48Å; L87-L148 HydrophobicContact CD2-CD1 3.76Å; L87-V150 HydrophobicContact CB-CG2 4.26Å; L87-V150 HydrophobicContact CD2-CG2 3.47Å; L87-V150 VanDerWaalsContact CD2-CG2 3.47Å; L87-V150 HydrophobicContact CG-CG2 3.89Å
88A97.5Very high97Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-58.1-45.3174.200000112S84 E85 R90 I91 A92 V150 L154 I155S84-A88 WeakPolarHBondContact O-CB 3.13Å; S84-A88 PolarHBondContact O-N 3.28Å; E85-A88 WeakPolarHBondContact O-CB 3.44Å; E85-A88 PolarHBondContact O-N 2.88Å; A88-R90 PolarHBondContact O-N 2.86Å; A88-I91 PolarHBondContact O-N 3.2Å; A88-A92 WeakPolarHBondContact O-CB 3.48Å; A88-A92 PolarHBondContact O-N 3.43Å; A88-V150 HydrophobicContact CB-CG1 4.15Å; A88-L154 HydrophobicContact CB-CD2 3.84Å; A88-L154 HydrophobicContact CB-CG 4.2Å; A88-I155 HydrophobicContact CB-CD1 4.45Å; A88-I155 HydrophobicContact CB-CG1 3.72Å
89I98.2Very high97.2Very high3 Ų319.5 Ų19.52%0.01510%0.104CC..Hα-helixtrans-61.7-43.4177.6-66.1158.2000111.3L67 L81 E85 Q86 L87 A92 A93 L158 I179 I182L67-I89 HydrophobicContact CD1-CB 4.12Å; L67-I89 HydrophobicContact CD1-CG2 3.96Å; L67-I89 HydrophobicContact CD2-CD1 3.98Å; L67-I89 HydrophobicContact CD2-CG2 4.48Å; L81-I89 HydrophobicContact CD1-CD1 3.89Å; E85-I89 WeakPolarHBondContact O-CD1 3.15Å; E85-I89 WeakPolarHBondContact O-CG1 3.35Å; E85-I89 PolarHBondContact O-N 3.19Å; Q86-I89 PolarHBondContact O-N 2.79Å; L87-I89 PolarHBondContact O-N 3.14Å; I89-A92 PolarHBondContact O-N 2.89Å; I89-A93 WeakPolarHBondContact O-CB 3.43Å; I89-A93 PolarHBondContact O-N 2.87Å; I89-L158 HydrophobicContact CB-CD1 4.46Å; I89-L158 HydrophobicContact CG1-CD1 3.79Å; I89-I179 HydrophobicContact CD1-CB 4.13Å; I89-I179 HydrophobicContact CD1-CG2 4.06Å; I89-I182 HydrophobicContact CD1-CD1 3.97Å; I89-I182 HydrophobicContact CG2-CB 4.3Å; I89-I182 HydrophobicContact CG2-CD1 4.15Å; I89-I182 HydrophobicContact CG2-CG2 3.74Å
90R98.4Very high97.4Very high13 Ų1319 Ų195%0.04910%0.1CC..Hα-helixtrans-66.4-41.8178.1-68.9179.1-62.916014.3112E17 Y60 A63 K64 L67 Q86 L87 A88 A93 L94E17-R90 IonicContact OE1-CZ 2.78Å; E17-R90 IonicContact OE1-NH1 2.71Å; E17-R90 PolarHBondContact OE1-NH1 3.36Å; E17-R90 IonicContact OE1-NH2 3.8Å; E17-R90 IonicContact OE2-CZ 2.79Å; E17-R90 IonicContact OE2-NH1 2.72Å; E17-R90 PolarHBondContact OE2-NH1 2.98Å; E17-R90 IonicContact OE2-NH2 2.77Å; E17-R90 PolarHBondContact OE2-NH2 3.46Å; Y60-R90 HydrophobicContact CD2-CB 3.94Å; Y60-R90 WeakPolarHBondContact CD2-O 3.42Å; Y60-R90 HydrophobicContact CE2-CB 3.72Å; Y60-R90 HydrophobicContact CE2-CG 4.47Å; A63-R90 HydrophobicContact CB-CG 4.46Å; K64-R90 HydrophobicContact CB-CG 4.47Å; L67-R90 HydrophobicContact CD1-CG 3.65Å; Q86-R90 WeakPolarHBondContact O-CG 3.5Å; Q86-R90 PolarHBondContact O-N 3.15Å; Q86-R90 VanDerWaalsContact O-N 3.12Å; Q86-R90 PolarHBondContact O-NE 3.34Å; L87-R90 PolarHBondContact O-N 2.9Å; A88-R90 PolarHBondContact O-N 2.86Å; R90-A93 PolarHBondContact O-N 3.05Å; R90-L94 WeakPolarHBondContact O-CB 3.48Å; R90-L94 PolarHBondContact O-N 3.41Å
91I98.5Very high97.6Very high3 Ų314.2 Ų14.22%0.0157%0.071CC..Hα-helixtrans-64.5-43.3175.8-67.9168.9000110.7L23 L87 A88 A93 L94 C95 L131 L145 V150 I155L23-I91 HydrophobicContact CD1-CB 4.46Å; L23-I91 HydrophobicContact CD1-CG1 4.01Å; L23-I91 HydrophobicContact CD1-CG2 3.84Å; L87-I91 HydrophobicContact CD1-CD1 3.92Å; L87-I91 HydrophobicContact CD1-CG1 4.12Å; L87-I91 HydrophobicContact CG-CD1 3.91Å; L87-I91 WeakPolarHBondContact O-CG1 3.44Å; L87-I91 PolarHBondContact O-N 2.87Å; A88-I91 PolarHBondContact O-N 3.2Å; I91-A93 VanDerWaalsContact C-N 3.34Å; I91-A93 PolarHBondContact O-N 2.9Å; I91-L94 PolarHBondContact O-N 3.41Å; I91-C95 VanDerWaalsContact O-CB 3.27Å; I91-C95 WeakPolarHBondContact O-CB 3.3Å; I91-C95 PolarHBondContact O-N 2.9Å; I91-C95 PolarHBondContact O-SG 2.85Å; I91-L131 HydrophobicContact CG2-CD1 4.23Å; I91-L131 HydrophobicContact CG2-CD2 4.05Å; I91-L145 HydrophobicContact CD1-CD2 3.54Å; I91-V150 HydrophobicContact CD1-CG1 4.39Å; I91-I155 HydrophobicContact CB-CD1 4.14Å; I91-I155 HydrophobicContact CD1-CD1 4.27Å; I91-I155 HydrophobicContact CG2-CD1 3.88Å; I91-I155 HydrophobicContact CG2-CG2 4.11Å
92A98.6Very high97.7Very high0 Ų013.5 Ų13.50%07%0.068CC..Hα-helixtrans-56.9-49.2174.400000110.8A88 I89 L94 C95 H96 I155 L158 I159 L183A88-A92 WeakPolarHBondContact O-CB 3.48Å; A88-A92 PolarHBondContact O-N 3.43Å; I89-A92 PolarHBondContact O-N 2.89Å; A92-L94 VanDerWaalsContact C-N 3.33Å; A92-L94 PolarHBondContact O-N 3.46Å; A92-C95 PolarHBondContact O-N 2.76Å; A92-C95 VanDerWaalsContact O-N 3.11Å; A92-H96 WeakPolarHBondContact O-CB 3.31Å; A92-H96 PolarHBondContact O-N 2.93Å; A92-I155 HydrophobicContact CB-CG2 4.02Å; A92-L158 HydrophobicContact CB-CB 3.72Å; A92-L158 HydrophobicContact CB-CD1 4.17Å; A92-I159 HydrophobicContact CB-CG1 3.98Å; A92-L183 VanDerWaalsContact C-CD2 3.49Å; A92-L183 HydrophobicContact CB-CD2 3.64Å
93A98.8Very high97.9Very high0 Ų011.5 Ų11.50%05%0.053CC..Hα-helixtrans-61.2-39178.200000113T59 A63 I89 R90 I91 C95 H96 L183T59-A93 HydrophobicContact CG2-CB 4.15Å; A63-A93 HydrophobicContact CB-CB 3.57Å; I89-A93 WeakPolarHBondContact O-CB 3.43Å; I89-A93 PolarHBondContact O-N 2.87Å; R90-A93 PolarHBondContact O-N 3.05Å; I91-A93 VanDerWaalsContact C-N 3.34Å; I91-A93 PolarHBondContact O-N 2.9Å; A93-C95 VanDerWaalsContact C-N 3.33Å; A93-H96 PolarHBondContact O-ND1 3.33Å; A93-L183 HydrophobicContact CB-CD1 3.98Å
94L98.8Very high97.9Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-66.5-35.2175.2-175.259.4000112.3A20 L23 I24 F29 S56 I57 Y60 R90 I91 A92A20-L94 HydrophobicContact CB-CD2 3.85Å; L23-L94 HydrophobicContact CB-CD2 4.16Å; L23-L94 HydrophobicContact CD1-CD2 4.15Å; I24-L94 HydrophobicContact CD1-CD1 4.06Å; I24-L94 HydrophobicContact CD1-CD2 4.37Å; I24-L94 HydrophobicContact CG1-CD1 4.07Å; I24-L94 HydrophobicContact CG1-CD2 4.2Å; F29-L94 HydrophobicContact CE2-CD1 3.75Å; F29-L94 HydrophobicContact CE2-CG 3.73Å; F29-L94 WeakPolarHBondContact CE2-O 3.23Å; F29-L94 HydrophobicContact CZ-CD1 3.61Å; F29-L94 HydrophobicContact CZ-CG 4.14Å; S56-L94 WeakPolarHBondContact CB-O 3.42Å; I57-L94 HydrophobicContact CG1-CD1 4.31Å; Y60-L94 HydrophobicContact CD2-CB 3.92Å; Y60-L94 HydrophobicContact CD2-CD2 4.31Å; Y60-L94 HydrophobicContact CD2-CG 4.48Å; Y60-L94 HydrophobicContact CG-CB 4.31Å; Y60-L94 HydrophobicContact CG-CD1 4.26Å; R90-L94 WeakPolarHBondContact O-CB 3.48Å; R90-L94 PolarHBondContact O-N 3.41Å; I91-L94 PolarHBondContact O-N 3.41Å; A92-L94 VanDerWaalsContact C-N 3.33Å; A92-L94 PolarHBondContact O-N 3.46Å
95C98.6Very high97.9Very high0 Ų09.9 Ų9.90%05%0.046CC..Hα-helixtrans-1090.2-165.1-59.70000114.4I91 A92 A93 D97 L98 S127 L131 I159I91-C95 VanDerWaalsContact O-CB 3.27Å; I91-C95 WeakPolarHBondContact O-CB 3.3Å; I91-C95 PolarHBondContact O-N 2.9Å; I91-C95 PolarHBondContact O-SG 2.85Å; A92-C95 PolarHBondContact O-N 2.76Å; A92-C95 VanDerWaalsContact O-N 3.11Å; A93-C95 VanDerWaalsContact C-N 3.33Å; C95-D97 PolarHBondContact O-N 3.09Å; C95-L98 HydrophobicContact CB-CD1 3.61Å; C95-L98 HydrophobicContact CB-CG 4.21Å; C95-L98 WeakPolarHBondContact O-CG 3.48Å; C95-L98 PolarHBondContact O-N 3.19Å; C95-S127 WeakPolarHBondContact O-CB 3.43Å; C95-L131 HydrophobicContact CB-CB 4.47Å; C95-L131 HydrophobicContact CB-CD1 4.22Å; C95-L131 HydrophobicContact CB-CD2 4.14Å; C95-I159 HydrophobicContact CB-CD1 4.36Å
96H98.2Very high97.9Very high15 Ų159.8 Ų9.87%0.0695%0.046CC..THydrogen-bonded Turntrans-57.8-25.5-173.874.2-77.3000113.7H55 A92 A93 S127 I159 L183 D193H55-H96 AromaticContact NE2-NE2 3.67Å; A92-H96 WeakPolarHBondContact O-CB 3.31Å; A92-H96 PolarHBondContact O-N 2.93Å; A93-H96 PolarHBondContact O-ND1 3.33Å; H96-S127 VanDerWaalsContact O-CB 3.25Å; H96-S127 WeakPolarHBondContact O-CB 3.37Å; H96-S127 PolarHBondContact O-OG 2.84Å; H96-I159 HydrophobicContact CB-CG1 4.4Å; H96-I159 HydrophobicContact CB-CG2 4.4Å; H96-L183 HydrophobicContact CB-CD1 4.45Å; H96-L183 HydrophobicContact CB-CD2 4.25Å; H96-D193 IonicContact NE2-OD1 3.58Å
97D97.9Very high98Very high4 Ų48.4 Ų8.42%0.0214%0.039CC..THydrogen-bonded Turntrans-103.6-1.5-170.5-111.514000114.9R52 H55 S56 C95 G99 H100R52-D97 WeakPolarHBondContact CD-OD2 3.24Å; R52-D97 IonicContact CZ-OD2 2.78Å; R52-D97 IonicContact NE-OD2 2.76Å; R52-D97 IonicContact NH1-OD1 3.57Å; R52-D97 PolarHBondContact NH1-OD1 3.42Å; R52-D97 IonicContact NH1-OD2 2.68Å; R52-D97 PolarHBondContact NH1-OD2 3.44Å; H55-D97 IonicContact CD2-OD2 3.57Å; H55-D97 PolarHBondContact CD2-OD2 2.85Å; H55-D97 VanDerWaalsContact CD2-OD2 3.24Å; H55-D97 IonicContact NE2-OD2 3.21Å; S56-D97 WeakPolarHBondContact OG-CB 3.4Å; C95-D97 PolarHBondContact O-N 3.09Å; D97-G99 PolarHBondContact O-N 3.02Å; D97-G99 VanDerWaalsContact O-N 3.11Å; D97-H100 PolarHBondContact O-N 3.26Å; D97-H100 IonicContact OD1-CD2 3.35Å; D97-H100 PolarHBondContact OD1-CD2 3.32Å; D97-H100 IonicContact OD1-NE2 3.65Å; D97-H100 PolarHBondContact OD1-NE2 2.96Å; D97-H100 VanDerWaalsContact OD1-NE2 3.16Å
98L98.5Very high97.9Very high0 Ų09.7 Ų9.70%05%0.046CC..THydrogen-bonded Turntrans-55.3-31.5-175.5-76.9174.9000114.1F29 R31 L32 C95 S127 V130 L131 I134F29-L98 HydrophobicContact CB-CD2 4.14Å; F29-L98 HydrophobicContact CD2-CD2 3.73Å; F29-L98 HydrophobicContact CE2-CD2 4.46Å; F29-L98 HydrophobicContact CG-CD2 4.22Å; R31-L98 PolarHBondContact NH1-O 3.44Å; L32-L98 HydrophobicContact CD1-CD2 4.09Å; L32-L98 HydrophobicContact CG-CD2 4.46Å; C95-L98 HydrophobicContact CB-CD1 3.61Å; C95-L98 HydrophobicContact CB-CG 4.21Å; C95-L98 WeakPolarHBondContact O-CG 3.48Å; C95-L98 PolarHBondContact O-N 3.19Å; L98-S127 PolarHBondContact N-OG 3.32Å; L98-V130 HydrophobicContact CB-CB 3.97Å; L98-V130 HydrophobicContact CB-CG1 3.93Å; L98-V130 HydrophobicContact CD1-CB 4.36Å; L98-V130 HydrophobicContact CD1-CG1 4.05Å; L98-V130 HydrophobicContact CD2-CG1 4.32Å; L98-V130 HydrophobicContact CG-CG1 4.35Å; L98-L131 HydrophobicContact CD1-CB 4.1Å; L98-I134 HydrophobicContact CD1-CD1 3.88Å; L98-I134 HydrophobicContact CD2-CD1 4.37Å
99G97.9Very high97.9Very high0 Ų013.6 Ų13.60%06%0.064CC..THydrogen-bonded Turntrans-88.46.2-175.200000115.2D97 H123 S127 F313D97-G99 PolarHBondContact O-N 3.02Å; D97-G99 VanDerWaalsContact O-N 3.11Å; G99-H123 WeakPolarHBondContact CA-O 3.34Å; G99-H123 WeakPolarHBondContact O-CB 3.24Å; G99-S127 WeakPolarHBondContact CA-OG 3.1Å; G99-S127 PolarHBondContact N-OG 3.05Å; G99-F313 VanDerWaalsContact O-CZ 3.26Å; G99-F313 WeakPolarHBondContact O-CZ 3.23Å
100H98.5Very high97.8Very high3 Ų313.5 Ų13.51%0.0146%0.063CC..  trans-66.1139172.6-87.4-71.1000112.1R31 I35 R52 D97 H105 H123R31-H100 PolarHBondContact NH1-O 3.21Å; R31-H100 PolarHBondContact NH2-O 2.9Å; I35-H100 WeakPolarHBondContact CD1-O 3.27Å; I35-H100 HydrophobicContact CG2-CB 4.45Å; R52-H100 VanDerWaalsContact CD-CD2 3.47Å; R52-H100 WeakPolarHBondContact CD-CD2 3.47Å; R52-H100 PolarHBondContact NE-CD2 3.37Å; R52-H100 PolarHBondContact NH1-CD2 3.17Å; R52-H100 PolarHBondContact NH1-NE2 3.38Å; R52-H100 PolarHBondContact NH2-CE1 2.93Å; R52-H100 PolarHBondContact NH2-ND1 3.5Å; R52-H100 PolarHBondContact NH2-NE2 2.79Å; D97-H100 PolarHBondContact O-N 3.26Å; D97-H100 IonicContact OD1-CD2 3.35Å; D97-H100 PolarHBondContact OD1-CD2 3.32Å; D97-H100 IonicContact OD1-NE2 3.65Å; D97-H100 PolarHBondContact OD1-NE2 2.96Å; D97-H100 VanDerWaalsContact OD1-NE2 3.16Å; H100-H105 AromaticContact CE1-CE1 3.86Å; H100-H123 AromaticContact CD2-CD2 3.54Å; H100-H123 AromaticContact CD2-CG 3.92Å; H100-H123 AromaticContact CE1-CD2 3.3Å; H100-H123 PolarHBondContact CE1-CD2 3.3Å; H100-H123 AromaticContact CE1-CE1 3.54Å; H100-H123 AromaticContact CE1-CG 3.21Å; H100-H123 AromaticContact CE1-ND1 3.34Å; H100-H123 PolarHBondContact CE1-ND1 3.47Å; H100-H123 VanDerWaalsContact CE1-ND1 3.34Å; H100-H123 AromaticContact CE1-NE2 3.49Å; H100-H123 PolarHBondContact CE1-NE2 3.28Å; H100-H123 AromaticContact ND1-CG 3.67Å; H100-H123 AromaticContact NE2-CD2 2.99Å; H100-H123 PolarHBondContact NE2-CD2 2.96Å; H100-H123 AromaticContact NE2-CE1 3.76Å; H100-H123 AromaticContact NE2-CG 3.43Å; H100-H123 AromaticContact NE2-ND1 3.86Å; H100-H123 AromaticContact NE2-NE2 3.22Å; H100-H123 PolarHBondContact NE2-NE2 2.68Å
101G97.9Very high97.8Very high1 Ų112.9 Ų12.91%0.016%0.061CC..  trans-91-178.8171.800000113F103 S104G101-F103 PolarHBondContact O-N 2.94Å; G101-S104 PolarHBondContact O-N 3.48Å; G101-S104 VanDerWaalsContact O-N 3.11Å
102P98Very high97.7Very high0 Ų016.4 Ų16.40%08%0.076CC..THydrogen-bonded Turntrans-50.6131.9176.1-2529.3000113.4S104 W107 L316 D318 L320P102-S104 PolarHBondContact O-N 3.36Å; P102-W107 HydrophobicContact CB-CD2 4.46Å; P102-W107 HydrophobicContact CB-CE3 3.79Å; P102-W107 HydrophobicContact CB-CZ3 3.98Å; P102-W107 HydrophobicContact CG-CD2 4.23Å; P102-W107 HydrophobicContact CG-CE3 3.81Å; P102-W107 HydrophobicContact CG-CH2 4.1Å; P102-W107 HydrophobicContact CG-CZ3 3.75Å; P102-W107 VanDerWaalsContact O-CB 3.26Å; P102-W107 WeakPolarHBondContact O-CB 3.44Å; P102-L316 HydrophobicContact CG-CB 3.79Å; P102-D318 WeakPolarHBondContact CA-OD1 3.46Å; P102-L320 HydrophobicContact CB-CD2 4.49Å; P102-L320 HydrophobicContact CG-CD2 4.32Å
103F97.9Very high97.5Very high4 Ų421.2 Ų21.22%0.0189%0.094CC..THydrogen-bonded Turntrans64.523.8179.7-36.2-63.3000113.8I40 G101 H105 L106 I281 D318 L321I40-F103 HydrophobicContact CG2-CB 4.14Å; I40-F103 HydrophobicContact CG2-CD1 3.76Å; I40-F103 HydrophobicContact CG2-CE1 4.5Å; I40-F103 HydrophobicContact CG2-CG 4.06Å; G101-F103 PolarHBondContact O-N 2.94Å; F103-H105 PolarHBondContact O-N 3.17Å; F103-L106 HydrophobicContact CB-CB 3.91Å; F103-L106 HydrophobicContact CB-CD2 3.98Å; F103-L106 HydrophobicContact CB-CG 4.47Å; F103-L106 HydrophobicContact CD2-CD2 4.5Å; F103-L106 HydrophobicContact CG-CD2 4.42Å; F103-L106 WeakPolarHBondContact O-CB 3.3Å; F103-L106 PolarHBondContact O-N 3.18Å; F103-I281 HydrophobicContact CD2-CG2 4.11Å; F103-I281 HydrophobicContact CE2-CG2 4.07Å; F103-D318 HydrophobicContact CD1-CB 4.24Å; F103-D318 HydrophobicContact CE1-CB 3.98Å; F103-D318 PolarHBondContact N-OD1 3.4Å; F103-L321 HydrophobicContact CE1-CB 4.05Å; F103-L321 HydrophobicContact CE1-CD1 4.42Å; F103-L321 HydrophobicContact CZ-CB 3.83Å
104S97Very high97.4Very high2 Ų222.5 Ų22.51%0.01411%0.108CC..THydrogen-bonded Turntrans60.9-125.2168.9-73.30000112.4K36 R52 G101 P102 L106 W107K36-S104 PolarHBondContact O-OG 3.04Å; R52-S104 PolarHBondContact NE-OG 3.34Å; R52-S104 VanDerWaalsContact NH2-CB 3.29Å; R52-S104 PolarHBondContact NH2-OG 3.25Å; G101-S104 PolarHBondContact O-N 3.48Å; G101-S104 VanDerWaalsContact O-N 3.11Å; P102-S104 PolarHBondContact O-N 3.36Å; S104-L106 PolarHBondContact O-N 3.07Å; S104-L106 VanDerWaalsContact O-N 3.17Å; S104-W107 VanDerWaalsContact O-CB 3.3Å; S104-W107 WeakPolarHBondContact O-CB 3.4Å; S104-W107 PolarHBondContact O-N 2.73Å
105H95.8Very high97.2Very high112 Ų11224.2 Ų24.252%0.51913%0.125SC..Hα-helixtrans-64-19.2-178.8-68.7-65.9000113.9H100 F103 W107 E108 E109 H123H100-H105 AromaticContact CE1-CE1 3.86Å; F103-H105 PolarHBondContact O-N 3.17Å; H105-W107 PolarHBondContact O-N 3.09Å; H105-E108 PolarHBondContact O-N 2.95Å; H105-E109 PolarHBondContact O-N 2.72Å; H105-H123 AromaticContact CE1-CE1 3.86Å
106L96.8Very high97Very high12 Ų1229.3 Ų29.36%0.06316%0.161CC..Hα-helixtrans-65.5-32.3174-171.468.9000111.5I40 F103 S104 E109 F110 I281 I282I40-L106 HydrophobicContact CG1-CD2 4.31Å; I40-L106 HydrophobicContact CG2-CD2 4.24Å; F103-L106 HydrophobicContact CB-CB 3.91Å; F103-L106 HydrophobicContact CB-CD2 3.98Å; F103-L106 HydrophobicContact CB-CG 4.47Å; F103-L106 HydrophobicContact CD2-CD2 4.5Å; F103-L106 HydrophobicContact CG-CD2 4.42Å; F103-L106 WeakPolarHBondContact O-CB 3.3Å; F103-L106 PolarHBondContact O-N 3.18Å; S104-L106 PolarHBondContact O-N 3.07Å; S104-L106 VanDerWaalsContact O-N 3.17Å; L106-E109 PolarHBondContact O-N 3.02Å; L106-F110 WeakPolarHBondContact O-CB 3.42Å; L106-F110 PolarHBondContact O-N 3.35Å; L106-I281 HydrophobicContact CD2-CB 4.08Å; L106-I281 HydrophobicContact CD2-CG2 3.75Å; L106-I282 HydrophobicContact CD1-CD1 3.59Å; L106-I282 HydrophobicContact CD1-CG1 3.76Å; L106-I282 HydrophobicContact CG-CD1 4.49Å; L106-I282 HydrophobicContact CG-CG1 4.21Å
107W98.1Very high96.8Very high1 Ų134.8 Ų34.80%0.00419%0.187CC..Hα-helixtrans-59.9-52.9172.6-162.9-111.6000110.8P102 S104 H105 E109 F110 I111 L285 L294 S298 L316 L320P102-W107 HydrophobicContact CB-CD2 4.46Å; P102-W107 HydrophobicContact CB-CE3 3.79Å; P102-W107 HydrophobicContact CB-CZ3 3.98Å; P102-W107 HydrophobicContact CG-CD2 4.23Å; P102-W107 HydrophobicContact CG-CE3 3.81Å; P102-W107 HydrophobicContact CG-CH2 4.1Å; P102-W107 HydrophobicContact CG-CZ3 3.75Å; P102-W107 VanDerWaalsContact O-CB 3.26Å; P102-W107 WeakPolarHBondContact O-CB 3.44Å; S104-W107 VanDerWaalsContact O-CB 3.3Å; S104-W107 WeakPolarHBondContact O-CB 3.4Å; S104-W107 PolarHBondContact O-N 2.73Å; H105-W107 PolarHBondContact O-N 3.09Å; W107-E109 VanDerWaalsContact C-N 3.27Å; W107-E109 PolarHBondContact O-N 3.27Å; W107-F110 HydrophobicContact CE3-CD1 4.38Å; W107-F110 HydrophobicContact CH2-CE1 4.5Å; W107-F110 HydrophobicContact CZ3-CD1 4.39Å; W107-F110 CarbonylContact O-C 3.57Å; W107-F110 WeakPolarHBondContact O-CA 3.49Å; W107-F110 WeakPolarHBondContact O-CB 3.31Å; W107-F110 PolarHBondContact O-N 3.28Å; W107-I111 HydrophobicContact CG-CG1 4.43Å; W107-I111 HydrophobicContact CZ2-CD1 4.38Å; W107-I111 WeakPolarHBondContact O-CG1 3.23Å; W107-I111 PolarHBondContact O-N 2.9Å; W107-L285 HydrophobicContact CE3-CD1 4.4Å; W107-L285 HydrophobicContact CZ3-CD1 4.23Å; W107-L285 HydrophobicContact CZ3-CD2 4.23Å; W107-L294 HydrophobicContact CH2-CB 3.78Å; W107-L294 HydrophobicContact CH2-CD1 3.87Å; W107-L294 HydrophobicContact CH2-CD2 4.14Å; W107-L294 HydrophobicContact CH2-CG 4.13Å; W107-L294 HydrophobicContact CZ2-CB 3.94Å; W107-L294 HydrophobicContact CZ3-CD1 4.44Å; W107-S298 PolarHBondContact NE1-OG 3.06Å; W107-L316 HydrophobicContact CH2-CD1 4.17Å; W107-L316 HydrophobicContact CZ2-CD1 3.72Å; W107-L320 HydrophobicContact CH2-CD2 3.99Å; W107-L320 HydrophobicContact CZ3-CD2 3.69Å
108E97Very high96.7Very high31 Ų3136.6 Ų36.615%0.14519%0.193CC..Hα-helixtrans-60.4-39.3-177.9-170.4179141.100111.4H105 I111 K112 Y121 H123H105-E108 PolarHBondContact O-N 2.95Å; E108-I111 PolarHBondContact O-N 2.97Å; E108-K112 HydrophobicContact CG-CD 4.1Å; E108-K112 WeakPolarHBondContact O-CB 3.43Å; E108-K112 VanDerWaalsContact O-CG 3.31Å; E108-K112 WeakPolarHBondContact O-CG 3.46Å; E108-K112 PolarHBondContact O-N 2.88Å; E108-K112 IonicContact OE1-NZ 2.8Å; E108-K112 PolarHBondContact OE1-NZ 3.04Å; E108-Y121 HydrophobicContact CB-CE1 4.46Å; E108-Y121 HydrophobicContact CG-CD1 4.05Å; E108-Y121 HydrophobicContact CG-CE1 4.35Å; E108-H123 IonicContact OE2-CE1 3.02Å; E108-H123 IonicContact OE2-ND1 3.39Å; E108-H123 PolarHBondContact OE2-ND1 2.79Å
109E95.8Very high96.5Very high82 Ų8239.8 Ų39.838%0.38322%0.215SC..Hα-helixtrans-60.2-47.3171.7-174.2-177.8164.600111.9H105 L106 W107 K112 R113 I282H105-E109 PolarHBondContact O-N 2.72Å; L106-E109 PolarHBondContact O-N 3.02Å; W107-E109 VanDerWaalsContact C-N 3.27Å; W107-E109 PolarHBondContact O-N 3.27Å; E109-K112 PolarHBondContact O-N 2.92Å; E109-R113 VanDerWaalsContact O-CG 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 VanDerWaalsContact O-N 3.1Å; E109-R113 IonicContact OE1-CZ 2.9Å; E109-R113 IonicContact OE1-NE 2.68Å; E109-R113 PolarHBondContact OE1-NE 3.09Å; E109-R113 IonicContact OE1-NH2 3.98Å; E109-R113 PolarHBondContact OE1-NH2 3.42Å; E109-I282 HydrophobicContact CG-CD1 3.99Å; E109-I282 WeakPolarHBondContact OE1-CD1 3.39Å
110F97.7Very high96.3Very high0 Ų046.6 Ų46.60%025%0.247CC..Hα-helixtrans-60.3-45.2176.4162.9-105.8000112.1L106 W107 R113 I282 L285 E286 E289 L294 R295L106-F110 WeakPolarHBondContact O-CB 3.42Å; L106-F110 PolarHBondContact O-N 3.35Å; W107-F110 HydrophobicContact CE3-CD1 4.38Å; W107-F110 HydrophobicContact CH2-CE1 4.5Å; W107-F110 HydrophobicContact CZ3-CD1 4.39Å; W107-F110 CarbonylContact O-C 3.57Å; W107-F110 WeakPolarHBondContact O-CA 3.49Å; W107-F110 WeakPolarHBondContact O-CB 3.31Å; W107-F110 PolarHBondContact O-N 3.28Å; F110-R113 PolarHBondContact O-N 3.47Å; F110-I282 HydrophobicContact CB-CG1 4.47Å; F110-I282 HydrophobicContact CD2-CG2 4.46Å; F110-L285 HydrophobicContact CB-CD1 4.15Å; F110-L285 HydrophobicContact CD1-CD1 4.15Å; F110-L285 HydrophobicContact CD2-CB 3.63Å; F110-L285 HydrophobicContact CD2-CD1 4.2Å; F110-L285 HydrophobicContact CE1-CB 4.42Å; F110-L285 HydrophobicContact CE2-CB 3.52Å; F110-L285 HydrophobicContact CG-CB 4.14Å; F110-L285 HydrophobicContact CG-CD1 3.87Å; F110-L285 HydrophobicContact CZ-CB 3.94Å; F110-E286 HydrophobicContact CE2-CG 4.46Å; F110-E289 HydrophobicContact CE2-CB 4.45Å; F110-E289 HydrophobicContact CZ-CB 4.06Å; F110-E289 HydrophobicContact CZ-CG 4.23Å; F110-E289 WeakPolarHBondContact CZ-OE2 3.25Å; F110-L294 HydrophobicContact CE1-CB 4Å; F110-L294 HydrophobicContact CE1-CD1 4.25Å; F110-L294 HydrophobicContact CZ-CB 4.48Å; F110-L294 HydrophobicContact CZ-CD1 4.37Å; F110-R295 HydrophobicContact CE1-CG 4.13Å; F110-R295 HydrophobicContact CZ-CG 4.2Å; F110-R295 PolarHBondContact O-NE 3.27Å; F110-R295 PolarHBondContact O-NH2 3.39Å
111I98.1Very high96.2Very high0 Ų046.5 Ų46.50%025%0.247CC..Hα-helixtrans-59.7-53.4177.7-61.4-57.5000110.2W107 E108 R113 G114 Y118 Y121 R295 S298W107-I111 HydrophobicContact CG-CG1 4.43Å; W107-I111 HydrophobicContact CZ2-CD1 4.38Å; W107-I111 WeakPolarHBondContact O-CG1 3.23Å; W107-I111 PolarHBondContact O-N 2.9Å; E108-I111 PolarHBondContact O-N 2.97Å; I111-R113 PolarHBondContact O-N 3.38Å; I111-G114 PolarHBondContact O-N 3.4Å; I111-Y118 HydrophobicContact CG2-CD1 4.28Å; I111-Y118 HydrophobicContact CG2-CG 4.46Å; I111-Y118 WeakPolarHBondContact O-CB 3.32Å; I111-Y121 HydrophobicContact CB-CD1 4.14Å; I111-Y121 HydrophobicContact CB-CG 4.39Å; I111-Y121 HydrophobicContact CG1-CD1 4.32Å; I111-Y121 HydrophobicContact CG1-CE1 4.33Å; I111-Y121 HydrophobicContact CG2-CD1 3.95Å; I111-Y121 HydrophobicContact CG2-CD2 4.21Å; I111-Y121 HydrophobicContact CG2-CG 3.69Å; I111-R295 HydrophobicContact CD1-CB 4.34Å; I111-R295 HydrophobicContact CD1-CG 3.94Å; I111-S298 WeakPolarHBondContact CD1-OG 3.27Å
112K96.3Very high96.1Very high78 Ų7848.3 Ų48.334%0.33926%0.256SS..Hα-helixtrans-63.6-23.5-177.2-71.2178.4175.6174.30114E108 E109 G114 S119 Y121E108-K112 HydrophobicContact CG-CD 4.1Å; E108-K112 WeakPolarHBondContact O-CB 3.43Å; E108-K112 VanDerWaalsContact O-CG 3.31Å; E108-K112 WeakPolarHBondContact O-CG 3.46Å; E108-K112 PolarHBondContact O-N 2.88Å; E108-K112 IonicContact OE1-NZ 2.8Å; E108-K112 PolarHBondContact OE1-NZ 3.04Å; E109-K112 PolarHBondContact O-N 2.92Å; K112-G114 PolarHBondContact O-N 3.34Å; K112-S119 WeakPolarHBondContact CE-O 3.29Å; K112-Y121 WeakPolarHBondContact CE-O 3.31Å; K112-Y121 PolarHBondContact NZ-O 3.26Å
113R95Very high96.1Very high100 Ų10049 Ų4938%0.37726%0.259SS..THydrogen-bonded Turntrans-66.4-16.2172.7-77.9172.8-179.6-144.37.8113.9E109 F110 I111 G115 I282E109-R113 VanDerWaalsContact O-CG 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 3.49Å; E109-R113 VanDerWaalsContact O-N 3.1Å; E109-R113 IonicContact OE1-CZ 2.9Å; E109-R113 IonicContact OE1-NE 2.68Å; E109-R113 PolarHBondContact OE1-NE 3.09Å; E109-R113 IonicContact OE1-NH2 3.98Å; E109-R113 PolarHBondContact OE1-NH2 3.42Å; F110-R113 PolarHBondContact O-N 3.47Å; I111-R113 PolarHBondContact O-N 3.38Å; R113-G115 PolarHBondContact O-N 3.38Å; R113-I282 VanDerWaalsContact CZ-CD1 3.47Å; R113-I282 VanDerWaalsContact NH1-CG2 3.29Å
114G95.4Very high96Very high28 Ų2851.7 Ų51.729%0.28927%0.272SS..THydrogen-bonded Turntrans-68.7-10.1178.900000114.9I111 K112 Y118I111-G114 PolarHBondContact O-N 3.4Å; K112-G114 PolarHBondContact O-N 3.34Å; G114-Y118 VanDerWaalsContact CA-CD2 3.47Å; G114-Y118 WeakPolarHBondContact O-CD2 3.49Å; G114-Y118 WeakPolarHBondContact O-CE2 3.48Å
115G94.6Very high96Very high35 Ų3553 Ų5336%0.36128%0.28SS..  trans118.7-174.7-179.900000113.4R113 E117 Y118R113-G115 PolarHBondContact O-N 3.38Å; G115-E117 PolarHBondContact O-N 3.22Å; G115-Y118 PolarHBondContact O-N 3.27Å; G115-Y118 VanDerWaalsContact O-N 3.11Å
116S94.6Very high96.1Very high107 Ų10747.6 Ų47.675%0.74826%0.255SS*.G310 helixtrans-59.6-32.7-174.151.40000113.3Y118 S119S116-Y118 PolarHBondContact O-N 2.53Å; S116-S119 WeakPolarHBondContact O-CB 3.26Å; S116-S119 PolarHBondContact O-N 3.07Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.11Å
117E93.5Very high96.1Very high131 Ų13147 Ų4761%0.61225%0.252SS*.G310 helixtrans-63.5-18.8178.870.1-173.1-179.100114.3G115 M299G115-E117 PolarHBondContact O-N 3.22Å; E117-M299 WeakPolarHBondContact O-CE 3.49Å
118Y96.1Very high96Very high41 Ų4147.3 Ų47.316%0.16126%0.255CS..G310 helixtrans-106.5-3.4178.2-55.9-76.4000113.3I111 G114 G115 S116 E120 Y121 R295 M299I111-Y118 HydrophobicContact CG2-CD1 4.28Å; I111-Y118 HydrophobicContact CG2-CG 4.46Å; I111-Y118 WeakPolarHBondContact O-CB 3.32Å; G114-Y118 VanDerWaalsContact CA-CD2 3.47Å; G114-Y118 WeakPolarHBondContact O-CD2 3.49Å; G114-Y118 WeakPolarHBondContact O-CE2 3.48Å; G115-Y118 PolarHBondContact O-N 3.27Å; G115-Y118 VanDerWaalsContact O-N 3.11Å; S116-Y118 PolarHBondContact O-N 2.53Å; Y118-E120 VanDerWaalsContact C-N 3.26Å; Y118-E120 PolarHBondContact O-N 3.34Å; Y118-Y121 WeakPolarHBondContact O-CB 3.05Å; Y118-Y121 PolarHBondContact O-N 2.87Å; Y118-R295 HydrophobicContact CD1-CB 3.89Å; Y118-R295 HydrophobicContact CD1-CG 4.48Å; Y118-R295 HydrophobicContact CE1-CB 3.46Å; Y118-R295 VanDerWaalsContact CE1-CB 3.46Å; Y118-R295 HydrophobicContact CE1-CG 4.36Å; Y118-M299 HydrophobicContact CD1-CG 3.32Å; Y118-M299 HydrophobicContact CD1-SD 3.98Å; Y118-M299 HydrophobicContact CE1-CG 3.68Å; Y118-M299 HydrophobicContact CG-CG 4.49Å
119S93.6Very high96Very high67 Ų6747.6 Ų47.647%0.46926%0.256SS..THydrogen-bonded Turntrans-66-25.8-169.264.50000114.2K112 S116K112-S119 WeakPolarHBondContact CE-O 3.29Å; S116-S119 WeakPolarHBondContact O-CB 3.26Å; S116-S119 PolarHBondContact O-N 3.07Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.11Å
120E93.8Very high96Very high143 Ų14343.7 Ų43.767%0.66824%0.238SC*.THydrogen-bonded Turntrans-80.5-16.6-179.9-62.2-175162.700113.8Y118 N122 F302Y118-E120 VanDerWaalsContact C-N 3.26Å; Y118-E120 PolarHBondContact O-N 3.34Å; E120-N122 PolarHBondContact O-N 3Å; E120-N122 PolarHBondContact O-ND2 3.46Å; E120-N122 VanDerWaalsContact O-ND2 3.08Å; E120-F302 HydrophobicContact CB-CE1 4.26Å; E120-F302 HydrophobicContact CB-CZ 4.24Å; E120-F302 WeakPolarHBondContact O-CZ 3.29Å
121Y96.9Very high96Very high2 Ų243.7 Ų43.71%0.00824%0.238CC..  trans-55129.8-178.6179.1-89.5000110.8E108 I111 K112 Y118 V126 S298 M299 F302 F313E108-Y121 HydrophobicContact CB-CE1 4.46Å; E108-Y121 HydrophobicContact CG-CD1 4.05Å; E108-Y121 HydrophobicContact CG-CE1 4.35Å; I111-Y121 HydrophobicContact CB-CD1 4.14Å; I111-Y121 HydrophobicContact CB-CG 4.39Å; I111-Y121 HydrophobicContact CG1-CD1 4.32Å; I111-Y121 HydrophobicContact CG1-CE1 4.33Å; I111-Y121 HydrophobicContact CG2-CD1 3.95Å; I111-Y121 HydrophobicContact CG2-CD2 4.21Å; I111-Y121 HydrophobicContact CG2-CG 3.69Å; K112-Y121 WeakPolarHBondContact CE-O 3.31Å; K112-Y121 PolarHBondContact NZ-O 3.26Å; Y118-Y121 WeakPolarHBondContact O-CB 3.05Å; Y118-Y121 PolarHBondContact O-N 2.87Å; Y121-V126 HydrophobicContact CE2-CG2 3.96Å; Y121-S298 WeakPolarHBondContact CE2-O 3.44Å; Y121-M299 HydrophobicContact CD2-SD 4.15Å; Y121-M299 HydrophobicContact CG-SD 4.44Å; Y121-F302 HydrophobicContact CD2-CB 3.83Å; Y121-F302 HydrophobicContact CD2-CD2 4.39Å; Y121-F302 HydrophobicContact CD2-CG 4.25Å; Y121-F302 HydrophobicContact CE2-CB 4.21Å; Y121-F313 WeakPolarHBondContact OH-CE2 3.15Å
122N96.1Very high95.9Very high38 Ų3849.1 Ų49.120%0.20326%0.259CS..  trans-148.7147.717567.872.7000109.2E120 E124 T125 F302E120-N122 PolarHBondContact O-N 3Å; E120-N122 PolarHBondContact O-ND2 3.46Å; E120-N122 VanDerWaalsContact O-ND2 3.08Å; N122-E124 VanDerWaalsContact C-N 3.31Å; N122-E124 VanDerWaalsContact CB-OE2 3.27Å; N122-E124 WeakPolarHBondContact CB-OE2 3.41Å; N122-E124 PolarHBondContact OD1-OE2 3.48Å; N122-T125 PolarHBondContact ND2-OG1 3.34Å; N122-T125 VanDerWaalsContact OD1-CB 3.3Å; N122-T125 WeakPolarHBondContact OD1-CB 3.27Å; N122-T125 PolarHBondContact OD1-N 3.02Å; N122-T125 PolarHBondContact OD1-OG1 2.76Å; N122-F302 WeakPolarHBondContact ND2-CE2 3.5Å
123H97.5Very high95.8Very high15 Ų1546.9 Ų46.97%0.06925%0.25CC..Hα-helixtrans-74.3-26.9-173.857.6-84.9000111.3G99 H100 H105 E108 T125 V126 S127G99-H123 WeakPolarHBondContact CA-O 3.34Å; G99-H123 WeakPolarHBondContact O-CB 3.24Å; H100-H123 AromaticContact CD2-CD2 3.54Å; H100-H123 AromaticContact CD2-CG 3.92Å; H100-H123 AromaticContact CE1-CD2 3.3Å; H100-H123 PolarHBondContact CE1-CD2 3.3Å; H100-H123 AromaticContact CE1-CE1 3.54Å; H100-H123 AromaticContact CE1-CG 3.21Å; H100-H123 AromaticContact CE1-ND1 3.34Å; H100-H123 PolarHBondContact CE1-ND1 3.47Å; H100-H123 VanDerWaalsContact CE1-ND1 3.34Å; H100-H123 AromaticContact CE1-NE2 3.49Å; H100-H123 PolarHBondContact CE1-NE2 3.28Å; H100-H123 AromaticContact ND1-CG 3.67Å; H100-H123 AromaticContact NE2-CD2 2.99Å; H100-H123 PolarHBondContact NE2-CD2 2.96Å; H100-H123 AromaticContact NE2-CE1 3.76Å; H100-H123 AromaticContact NE2-CG 3.43Å; H100-H123 AromaticContact NE2-ND1 3.86Å; H100-H123 AromaticContact NE2-NE2 3.22Å; H100-H123 PolarHBondContact NE2-NE2 2.68Å; H105-H123 AromaticContact CE1-CE1 3.86Å; E108-H123 IonicContact OE2-CE1 3.02Å; E108-H123 IonicContact OE2-ND1 3.39Å; E108-H123 PolarHBondContact OE2-ND1 2.79Å; H123-T125 PolarHBondContact O-N 2.83Å; H123-V126 CarbonylContact O-C 3.25Å; H123-V126 PolarHBondContact O-N 2.83Å; H123-S127 PolarHBondContact O-N 2.98Å; H123-S127 PolarHBondContact O-OG 3.04Å
124E96.8Very high95.8Very high60 Ų6042.1 Ų42.128%0.2823%0.232SC..Hα-helixtrans-60.4-43.2179.3-59.589.4150.800111.5N122 S127 G128 I159 L160N122-E124 VanDerWaalsContact C-N 3.31Å; N122-E124 VanDerWaalsContact CB-OE2 3.27Å; N122-E124 WeakPolarHBondContact CB-OE2 3.41Å; N122-E124 PolarHBondContact OD1-OE2 3.48Å; E124-S127 WeakPolarHBondContact O-CB 3.23Å; E124-S127 PolarHBondContact O-N 2.94Å; E124-G128 PolarHBondContact O-N 2.94Å; E124-G128 VanDerWaalsContact O-N 3.15Å; E124-I159 HydrophobicContact CB-CG2 4.21Å; E124-I159 WeakPolarHBondContact O-CG2 3.34Å; E124-L160 HydrophobicContact CB-CD2 4.06Å
125T96.1Very high95.8Very high29 Ų2941 Ų4118%0.17822%0.22CC..Hα-helixtrans-64.7-46.5175.3-58.10000110.9N122 H123 S127 G128 H129 L160 F302N122-T125 PolarHBondContact ND2-OG1 3.34Å; N122-T125 VanDerWaalsContact OD1-CB 3.3Å; N122-T125 WeakPolarHBondContact OD1-CB 3.27Å; N122-T125 PolarHBondContact OD1-N 3.02Å; N122-T125 PolarHBondContact OD1-OG1 2.76Å; H123-T125 PolarHBondContact O-N 2.83Å; T125-S127 VanDerWaalsContact C-N 3.29Å; T125-S127 PolarHBondContact O-N 2.71Å; T125-G128 PolarHBondContact O-N 3.44Å; T125-G128 VanDerWaalsContact O-N 3.16Å; T125-H129 PolarHBondContact O-CD2 2.9Å; T125-H129 PolarHBondContact O-N 3.38Å; T125-L160 WeakPolarHBondContact OG1-CD2 3.2Å; T125-F302 VanDerWaalsContact CB-CE2 3.47Å; T125-F302 HydrophobicContact CG2-CD2 3.77Å; T125-F302 HydrophobicContact CG2-CE2 3.61Å; T125-F302 HydrophobicContact CG2-CZ 4.37Å; T125-F302 WeakPolarHBondContact OG1-CE2 3.43Å
126V97.4Very high95.8Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-61.6-39.5177-176.20000110.5Y121 H123 G128 H129 V130 F302 L310 F313Y121-V126 HydrophobicContact CE2-CG2 3.96Å; H123-V126 CarbonylContact O-C 3.25Å; H123-V126 PolarHBondContact O-N 2.83Å; V126-G128 VanDerWaalsContact C-N 3.31Å; V126-G128 PolarHBondContact O-N 3.05Å; V126-H129 WeakPolarHBondContact O-CA 3.29Å; V126-H129 WeakPolarHBondContact O-CB 3.27Å; V126-H129 PolarHBondContact O-N 2.88Å; V126-V130 HydrophobicContact CG1-CG2 4.2Å; V126-V130 WeakPolarHBondContact O-CG2 3.4Å; V126-V130 PolarHBondContact O-N 3.25Å; V126-F302 HydrophobicContact CG2-CB 4.17Å; V126-F302 HydrophobicContact CG2-CD2 4.43Å; V126-L310 HydrophobicContact CG1-CD1 4.12Å; V126-F313 HydrophobicContact CG1-CD1 3.89Å; V126-F313 HydrophobicContact CG1-CE1 3.61Å; V126-F313 HydrophobicContact CG1-CZ 4.13Å
127S98.2Very high95.7Very high0 Ų040.5 Ų40.50%021%0.21CC..Hα-helixtrans-56.5-43.8174.9-64.80000112C95 H96 L98 G99 H123 E124 T125 H129 V130 L131C95-S127 WeakPolarHBondContact O-CB 3.43Å; H96-S127 VanDerWaalsContact O-CB 3.25Å; H96-S127 WeakPolarHBondContact O-CB 3.37Å; H96-S127 PolarHBondContact O-OG 2.84Å; L98-S127 PolarHBondContact N-OG 3.32Å; G99-S127 WeakPolarHBondContact CA-OG 3.1Å; G99-S127 PolarHBondContact N-OG 3.05Å; H123-S127 PolarHBondContact O-N 2.98Å; H123-S127 PolarHBondContact O-OG 3.04Å; E124-S127 WeakPolarHBondContact O-CB 3.23Å; E124-S127 PolarHBondContact O-N 2.94Å; T125-S127 VanDerWaalsContact C-N 3.29Å; T125-S127 PolarHBondContact O-N 2.71Å; S127-H129 VanDerWaalsContact C-N 3.29Å; S127-H129 PolarHBondContact O-N 2.92Å; S127-V130 PolarHBondContact O-N 3.36Å; S127-L131 WeakPolarHBondContact O-CB 3.36Å; S127-L131 PolarHBondContact O-N 2.92Å
128G96.4Very high95.8Very high6 Ų636.5 Ų36.56%0.06219%0.19CC..Hα-helixtrans-64.4-29.2175.600000114.2E124 T125 V126 Y132 R156E124-G128 PolarHBondContact O-N 2.94Å; E124-G128 VanDerWaalsContact O-N 3.15Å; T125-G128 PolarHBondContact O-N 3.44Å; T125-G128 VanDerWaalsContact O-N 3.16Å; V126-G128 VanDerWaalsContact C-N 3.31Å; V126-G128 PolarHBondContact O-N 3.05Å; G128-Y132 PolarHBondContact O-N 3.47Å; G128-R156 PolarHBondContact O-NE 3.16Å; G128-R156 PolarHBondContact O-NH2 2.94Å
129H96Very high95.6Very high38 Ų3838.5 Ų38.518%0.17621%0.21CC..Hα-helixtrans-76.3-46.1172.9-64.2-52.8000111.9T125 V126 S127 L131 Y132 Q133 F302 C304 L310T125-H129 PolarHBondContact O-CD2 2.9Å; T125-H129 PolarHBondContact O-N 3.38Å; V126-H129 WeakPolarHBondContact O-CA 3.29Å; V126-H129 WeakPolarHBondContact O-CB 3.27Å; V126-H129 PolarHBondContact O-N 2.88Å; S127-H129 VanDerWaalsContact C-N 3.29Å; S127-H129 PolarHBondContact O-N 2.92Å; H129-L131 PolarHBondContact O-N 3.46Å; H129-Y132 WeakPolarHBondContact O-CB 3.42Å; H129-Y132 PolarHBondContact O-N 2.83Å; H129-Q133 PolarHBondContact O-N 3Å; H129-F302 PolarHBondContact NE2-O 3.48Å; H129-C304 HydrophobicContact CB-CB 4.19Å; H129-C304 VanDerWaalsContact CE1-CB 3.43Å; H129-C304 WeakPolarHBondContact CE1-CB 3.44Å; H129-C304 VanDerWaalsContact CG-CB 3.47Å; H129-C304 WeakPolarHBondContact ND1-CB 3.37Å; H129-L310 HydrophobicContact CB-CD1 4.48Å; H129-L310 HydrophobicContact CB-CD2 3.99Å
130V96.9Very high95.6Very high0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-59.4-46.31771790000111E28 L98 V126 S127 Y132 Q133 I134 L310 L314E28-V130 HydrophobicContact CB-CG1 3.66Å; E28-V130 HydrophobicContact CG-CG1 4.12Å; L98-V130 HydrophobicContact CB-CB 3.97Å; L98-V130 HydrophobicContact CB-CG1 3.93Å; L98-V130 HydrophobicContact CD1-CB 4.36Å; L98-V130 HydrophobicContact CD1-CG1 4.05Å; L98-V130 HydrophobicContact CD2-CG1 4.32Å; L98-V130 HydrophobicContact CG-CG1 4.35Å; V126-V130 HydrophobicContact CG1-CG2 4.2Å; V126-V130 WeakPolarHBondContact O-CG2 3.4Å; V126-V130 PolarHBondContact O-N 3.25Å; S127-V130 PolarHBondContact O-N 3.36Å; V130-Y132 VanDerWaalsContact C-N 3.29Å; V130-Y132 PolarHBondContact O-N 3.33Å; V130-Q133 WeakPolarHBondContact O-CB 3.44Å; V130-Q133 PolarHBondContact O-N 3.43Å; V130-Q133 VanDerWaalsContact O-N 3.16Å; V130-I134 HydrophobicContact CG1-CD1 4.12Å; V130-I134 HydrophobicContact CG1-CG1 4.49Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 3.31Å; V130-L310 HydrophobicContact CG2-CD1 3.78Å; V130-L310 HydrophobicContact CG2-CD2 4.28Å; V130-L310 HydrophobicContact CG2-CG 4.28Å; V130-L314 HydrophobicContact CG1-CD2 4.07Å; V130-L314 HydrophobicContact CG2-CD2 3.97Å
131L97.2Very high95.6Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-56.5-44.6176.4174.158.5000112L23 I91 C95 L98 S127 H129 Q133 I134 I135 M152 I155 I159L23-L131 HydrophobicContact CD2-CD1 3.65Å; I91-L131 HydrophobicContact CG2-CD1 4.23Å; I91-L131 HydrophobicContact CG2-CD2 4.05Å; C95-L131 HydrophobicContact CB-CB 4.47Å; C95-L131 HydrophobicContact CB-CD1 4.22Å; C95-L131 HydrophobicContact CB-CD2 4.14Å; L98-L131 HydrophobicContact CD1-CB 4.1Å; S127-L131 WeakPolarHBondContact O-CB 3.36Å; S127-L131 PolarHBondContact O-N 2.92Å; H129-L131 PolarHBondContact O-N 3.46Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 3.46Å; L131-I134 PolarHBondContact O-N 3.02Å; L131-I135 HydrophobicContact CD1-CD1 3.75Å; L131-I135 HydrophobicContact CD1-CG1 4.18Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CG1 3.47Å; L131-I135 PolarHBondContact O-N 3.17Å; L131-M152 HydrophobicContact CD2-CE 4.08Å; L131-M152 HydrophobicContact CG-CE 4.15Å; L131-I155 HydrophobicContact CD2-CG2 3.4Å; L131-I159 HydrophobicContact CD2-CD1 4.22Å
132Y94.8Very high95.6Very high114 Ų11436.3 Ų36.345%0.44720%0.199SC..Hα-helixtrans-64.5-40179-179.5-98.5000112.1G128 H129 V130 I135 C136G128-Y132 PolarHBondContact O-N 3.47Å; H129-Y132 WeakPolarHBondContact O-CB 3.42Å; H129-Y132 PolarHBondContact O-N 2.83Å; V130-Y132 VanDerWaalsContact C-N 3.29Å; V130-Y132 PolarHBondContact O-N 3.33Å; Y132-I135 PolarHBondContact O-N 3.27Å; Y132-C136 VanDerWaalsContact CZ-SG 3.52Å; Y132-C136 WeakPolarHBondContact O-CB 3.39Å; Y132-C136 PolarHBondContact O-N 3.11Å; Y132-C136 PolarHBondContact O-SG 3.32Å; Y132-C136 VanDerWaalsContact O-SG 3.39Å
133Q94.4Very high95.5Very high30 Ų3037.3 Ų37.314%0.1421%0.209CC..Hα-helixtrans-59.9-45172.8179.1173.1-59.600112E28 H129 V130 L131 I135 C136 S137 L310 N311E28-Q133 PolarHBondContact OE1-NE2 2.86Å; H129-Q133 PolarHBondContact O-N 3Å; V130-Q133 WeakPolarHBondContact O-CB 3.44Å; V130-Q133 PolarHBondContact O-N 3.43Å; V130-Q133 VanDerWaalsContact O-N 3.16Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 3.46Å; Q133-I135 VanDerWaalsContact C-N 3.3Å; Q133-I135 PolarHBondContact O-N 2.87Å; Q133-C136 PolarHBondContact O-N 3.47Å; Q133-S137 WeakPolarHBondContact O-CB 3.23Å; Q133-S137 PolarHBondContact O-N 3.4Å; Q133-S137 PolarHBondContact O-OG 3.24Å; Q133-L310 HydrophobicContact CB-CD2 4.06Å; Q133-N311 PolarHBondContact NE2-OD1 3.22Å
134I96.1Very high95.4Very high0 Ų039.6 Ų39.60%022%0.219CC..Hα-helixtrans-58.8-43.4176.9-64.5165.4000110.8L23 E28 L98 V130 L131 S137 K138 L141L23-I134 HydrophobicContact CD2-CG2 3.91Å; E28-I134 HydrophobicContact CB-CD1 3.8Å; E28-I134 HydrophobicContact CB-CG1 3.77Å; E28-I134 HydrophobicContact CG-CG1 4.09Å; L98-I134 HydrophobicContact CD1-CD1 3.88Å; L98-I134 HydrophobicContact CD2-CD1 4.37Å; V130-I134 HydrophobicContact CG1-CD1 4.12Å; V130-I134 HydrophobicContact CG1-CG1 4.49Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 3.31Å; L131-I134 PolarHBondContact O-N 3.02Å; I134-S137 PolarHBondContact O-OG 3.06Å; I134-K138 PolarHBondContact O-N 3.5Å; I134-L141 HydrophobicContact CG2-CD2 4.32Å
135I95.7Very high95.4Very high6 Ų636.9 Ų36.93%0.03121%0.207CC..Hα-helixtrans-69-45.1-178.8-68.4168000110.7L23 L131 Y132 Q133 S137 K138 L141 Q142 L145 M152L23-I135 HydrophobicContact CD2-CG1 4.38Å; L131-I135 HydrophobicContact CD1-CD1 3.75Å; L131-I135 HydrophobicContact CD1-CG1 4.18Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CG1 3.47Å; L131-I135 PolarHBondContact O-N 3.17Å; Y132-I135 PolarHBondContact O-N 3.27Å; Q133-I135 VanDerWaalsContact C-N 3.3Å; Q133-I135 PolarHBondContact O-N 2.87Å; I135-S137 VanDerWaalsContact C-N 3.3Å; I135-S137 PolarHBondContact O-N 2.99Å; I135-K138 CarbonylContact O-C 3.42Å; I135-K138 PolarHBondContact O-N 3.15Å; I135-L141 HydrophobicContact CG1-CD2 4.04Å; I135-L141 HydrophobicContact CG1-CG 4.4Å; I135-Q142 HydrophobicContact CG2-CB 4Å; I135-Q142 HydrophobicContact CG2-CG 4.14Å; I135-L145 HydrophobicContact CD1-CD1 3.66Å; I135-L145 HydrophobicContact CG1-CD1 3.89Å; I135-L145 HydrophobicContact CG2-CD1 4.12Å; I135-M152 HydrophobicContact CD1-CE 3.44Å; I135-M152 VanDerWaalsContact CD1-CE 3.44Å; I135-M152 HydrophobicContact CD1-SD 3.33Å; I135-M152 WeakPolarHBondContact CD1-SD 3.48Å
136C93.3Very high95.3Very high54 Ų5440.6 Ų40.637%0.36523%0.226SC..Hα-helixtrans-67.1-28.4178.9-72.20000113.4Y132 Q133 K138Y132-C136 VanDerWaalsContact CZ-SG 3.52Å; Y132-C136 WeakPolarHBondContact O-CB 3.39Å; Y132-C136 PolarHBondContact O-N 3.11Å; Y132-C136 PolarHBondContact O-SG 3.32Å; Y132-C136 VanDerWaalsContact O-SG 3.39Å; Q133-C136 PolarHBondContact O-N 3.47Å; C136-K138 VanDerWaalsContact C-N 3.29Å; C136-K138 PolarHBondContact O-N 3.31Å
137S93.6Very high95.3Very high76 Ų7647.3 Ų47.353%0.53126%0.262SS..Hα-helixtrans-77-13.9177.370.10000113.6Q133 I134 I135Q133-S137 WeakPolarHBondContact O-CB 3.23Å; Q133-S137 PolarHBondContact O-N 3.4Å; Q133-S137 PolarHBondContact O-OG 3.24Å; I134-S137 PolarHBondContact O-OG 3.06Å; I135-S137 VanDerWaalsContact C-N 3.3Å; I135-S137 PolarHBondContact O-N 2.99Å
138K94.1Very high95.2Very high48 Ų4850.3 Ų50.321%0.20928%0.277CS..  trans-123.292-177.6-63.6-176.2-177-169.80111.1Q22 D25 I134 I135 C136 T140 L141 Q142Q22-K138 PolarHBondContact O-NZ 3.37Å; D25-K138 PolarHBondContact O-NZ 3.06Å; I134-K138 PolarHBondContact O-N 3.5Å; I135-K138 CarbonylContact O-C 3.42Å; I135-K138 PolarHBondContact O-N 3.15Å; C136-K138 VanDerWaalsContact C-N 3.29Å; C136-K138 PolarHBondContact O-N 3.31Å; K138-T140 PolarHBondContact O-N 3Å; K138-T140 VanDerWaalsContact O-N 3.13Å; K138-L141 HydrophobicContact CB-CB 3.82Å; K138-L141 HydrophobicContact CB-CD2 4.45Å; K138-L141 HydrophobicContact CD-CD2 4.35Å; K138-L141 WeakPolarHBondContact O-CB 3.45Å; K138-L141 PolarHBondContact O-N 2.9Å; K138-Q142 PolarHBondContact O-N 3.3Å
139S93Very high95.1Very high82 Ų8252.4 Ų52.457%0.57330%0.299SS*.Hα-helixtrans-56.1-33-17860.60000114.4S143S139-S143 WeakPolarHBondContact O-CB 3.41Å; S139-S143 PolarHBondContact O-N 2.82Å; S139-S143 PolarHBondContact O-OG 2.99Å
140T93.3Very high95.1Very high91 Ų9151 Ų5156%0.55829%0.293SS*.Hα-helixtrans-65.8-46175.554.40000111.8K138 S143 E144K138-T140 PolarHBondContact O-N 3Å; K138-T140 VanDerWaalsContact O-N 3.13Å; T140-S143 PolarHBondContact O-N 2.92Å; T140-E144 WeakPolarHBondContact O-CB 3.32Å; T140-E144 PolarHBondContact O-N 3.18Å
141L94.6Very high94.9Very high0 Ų053.2 Ų53.20%031%0.305CS..Hα-helixtrans-64-45.7178175.360.5000110.6L19 Q22 L23 I134 I135 K138 S143 E144 L145L19-L141 HydrophobicContact CD2-CD1 3.42Å; L19-L141 VanDerWaalsContact CD2-CD1 3.42Å; Q22-L141 HydrophobicContact CB-CD1 4.3Å; L23-L141 HydrophobicContact CD2-CD2 3.72Å; L23-L141 HydrophobicContact CG-CD2 4.2Å; I134-L141 HydrophobicContact CG2-CD2 4.32Å; I135-L141 HydrophobicContact CG1-CD2 4.04Å; I135-L141 HydrophobicContact CG1-CG 4.4Å; K138-L141 HydrophobicContact CB-CB 3.82Å; K138-L141 HydrophobicContact CB-CD2 4.45Å; K138-L141 HydrophobicContact CD-CD2 4.35Å; K138-L141 WeakPolarHBondContact O-CB 3.45Å; K138-L141 PolarHBondContact O-N 2.9Å; L141-S143 VanDerWaalsContact C-N 3.34Å; L141-S143 PolarHBondContact O-N 2.81Å; L141-E144 PolarHBondContact O-N 2.81Å; L141-L145 HydrophobicContact CD1-CD1 4.01Å; L141-L145 HydrophobicContact CD1-CG 4.11Å; L141-L145 HydrophobicContact CG-CD1 4.11Å; L141-L145 WeakPolarHBondContact O-CB 3.37Å; L141-L145 VanDerWaalsContact O-CG 3.32Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.26Å
142Q95.3Very high94.7Very high75 Ų7554.8 Ų54.835%0.3531%0.313SS..Hα-helixtrans-58.6-45.7175.9-170.7178.928.900111.8I135 K138 N146I135-Q142 HydrophobicContact CG2-CB 4Å; I135-Q142 HydrophobicContact CG2-CG 4.14Å; K138-Q142 PolarHBondContact O-N 3.3Å; Q142-N146 WeakPolarHBondContact O-CB 3.26Å; Q142-N146 PolarHBondContact O-N 3.05Å; Q142-N146 PolarHBondContact O-ND2 2.7Å
143S95.3Very high94.6Very high59 Ų5953.7 Ų53.741%0.41331%0.314SS..Hα-helixtrans-65.9-41.1178.8-57.70000112.1S139 T140 L141 N146 N147S139-S143 WeakPolarHBondContact O-CB 3.41Å; S139-S143 PolarHBondContact O-N 2.82Å; S139-S143 PolarHBondContact O-OG 2.99Å; T140-S143 PolarHBondContact O-N 2.92Å; L141-S143 VanDerWaalsContact C-N 3.34Å; L141-S143 PolarHBondContact O-N 2.81Å; S143-N146 PolarHBondContact O-N 3.01Å; S143-N147 WeakPolarHBondContact O-CB 3.34Å; S143-N147 PolarHBondContact O-N 2.76Å; S143-N147 PolarHBondContact O-ND2 3.21Å
144E95.5Very high94.7Very high63 Ų6352.5 Ų52.529%0.29431%0.309SS..Hα-helixtrans-64.6-45.4178.3-167.7175.7175.500111.5L19 Q22 T140 L141 N147 L148L19-E144 HydrophobicContact CD2-CB 4.09Å; L19-E144 HydrophobicContact CD2-CG 3.77Å; L19-E144 WeakPolarHBondContact CD2-OE2 3.38Å; L19-E144 HydrophobicContact CG-CG 4.36Å; Q22-E144 PolarHBondContact NE2-OE2 3.3Å; T140-E144 WeakPolarHBondContact O-CB 3.32Å; T140-E144 PolarHBondContact O-N 3.18Å; L141-E144 PolarHBondContact O-N 2.81Å; E144-N147 PolarHBondContact O-N 2.69Å; E144-L148 HydrophobicContact CG-CD1 4.18Å; E144-L148 WeakPolarHBondContact O-CB 3.2Å; E144-L148 VanDerWaalsContact O-CG 3.27Å; E144-L148 WeakPolarHBondContact O-CG 3.29Å; E144-L148 PolarHBondContact O-N 3.3Å
145L96.2Very high94.7Very high3 Ų352.5 Ų52.52%0.01631%0.309CS..Hα-helixtrans-62.3-43.1175.6-70173.5000112.2L19 I91 I135 L141 L148 G149 V150L19-L145 HydrophobicContact CD1-CD2 4.21Å; L19-L145 HydrophobicContact CD2-CD2 4.21Å; L19-L145 HydrophobicContact CD2-CG 4.42Å; I91-L145 HydrophobicContact CD1-CD2 3.54Å; I135-L145 HydrophobicContact CD1-CD1 3.66Å; I135-L145 HydrophobicContact CG1-CD1 3.89Å; I135-L145 HydrophobicContact CG2-CD1 4.12Å; L141-L145 HydrophobicContact CD1-CD1 4.01Å; L141-L145 HydrophobicContact CD1-CG 4.11Å; L141-L145 HydrophobicContact CG-CD1 4.11Å; L141-L145 WeakPolarHBondContact O-CB 3.37Å; L141-L145 VanDerWaalsContact O-CG 3.32Å; L141-L145 WeakPolarHBondContact O-CG 3.41Å; L141-L145 PolarHBondContact O-N 3.26Å; L145-L148 PolarHBondContact O-N 3.21Å; L145-G149 PolarHBondContact O-N 3.38Å; L145-G149 VanDerWaalsContact O-N 3.15Å; L145-V150 HydrophobicContact CB-CB 4.43Å; L145-V150 HydrophobicContact CD2-CB 4.12Å; L145-V150 HydrophobicContact CD2-CG1 4.24Å; L145-V150 HydrophobicContact CD2-CG2 4.06Å; L145-V150 PolarHBondContact O-N 3.1Å
146N95.1Very high94.7Very high107 Ų10755.2 Ų55.257%0.57232%0.319SS*.Hα-helixtrans-62.5-45.3176.1-73.1-15000111.7Q142 S143 L148 G149Q142-N146 WeakPolarHBondContact O-CB 3.26Å; Q142-N146 PolarHBondContact O-N 3.05Å; Q142-N146 PolarHBondContact O-ND2 2.7Å; S143-N146 PolarHBondContact O-N 3.01Å; N146-L148 VanDerWaalsContact C-N 3.27Å; N146-L148 PolarHBondContact O-N 3.23Å; N146-G149 PolarHBondContact O-N 3.27Å
147N96Very high94.8Very high142 Ų14253 Ų5376%0.75930%0.304SS*.Hα-helixtrans-64.4-32.3178.9-72.2-18.3000112.5S143 E144 G149S143-N147 WeakPolarHBondContact O-CB 3.34Å; S143-N147 PolarHBondContact O-N 2.76Å; S143-N147 PolarHBondContact O-ND2 3.21Å; E144-N147 PolarHBondContact O-N 2.69Å; N147-G149 VanDerWaalsContact C-N 3.27Å
148L96Very high94.9Very high62 Ų6249.5 Ų49.533%0.32528%0.28SS..THydrogen-bonded Turntrans-81.5-4.3175-67.8171000113.2L19 Y83 S84 L87 E144 L145 N146 V150L19-L148 HydrophobicContact CD1-CD1 3.55Å; Y83-L148 HydrophobicContact CD1-CD2 4.42Å; Y83-L148 HydrophobicContact CE1-CD1 4.33Å; Y83-L148 HydrophobicContact CE1-CD2 3.94Å; S84-L148 VanDerWaalsContact CB-O 3.31Å; S84-L148 WeakPolarHBondContact CB-O 3.3Å; L87-L148 HydrophobicContact CD2-CB 4.48Å; L87-L148 HydrophobicContact CD2-CD1 3.76Å; E144-L148 HydrophobicContact CG-CD1 4.18Å; E144-L148 WeakPolarHBondContact O-CB 3.2Å; E144-L148 VanDerWaalsContact O-CG 3.27Å; E144-L148 WeakPolarHBondContact O-CG 3.29Å; E144-L148 PolarHBondContact O-N 3.3Å; L145-L148 PolarHBondContact O-N 3.21Å; N146-L148 VanDerWaalsContact C-N 3.27Å; N146-L148 PolarHBondContact O-N 3.23Å; L148-V150 VanDerWaalsContact C-N 3.33Å; L148-V150 HydrophobicContact CB-CG2 4.05Å; L148-V150 PolarHBondContact O-N 2.93Å
149G94.9Very high95Very high50 Ų5047.5 Ų47.552%0.51527%0.271SS..THydrogen-bonded Turntrans67.530.7179.600000113.7S84 L145 N146 N147S84-G149 VanDerWaalsContact CB-O 3.3Å; S84-G149 WeakPolarHBondContact CB-O 3.26Å; L145-G149 PolarHBondContact O-N 3.38Å; L145-G149 VanDerWaalsContact O-N 3.15Å; N146-G149 PolarHBondContact O-N 3.27Å; N147-G149 VanDerWaalsContact C-N 3.27Å
150V95.1Very high95Very high10 Ų1047.4 Ų47.46%0.06126%0.264CS..  trans-78.5120.5178.3-178.80000109.7L87 A88 I91 L145 L148 I155L87-V150 HydrophobicContact CB-CG2 4.26Å; L87-V150 HydrophobicContact CD2-CG2 3.47Å; L87-V150 VanDerWaalsContact CD2-CG2 3.47Å; L87-V150 HydrophobicContact CG-CG2 3.89Å; A88-V150 HydrophobicContact CB-CG1 4.15Å; I91-V150 HydrophobicContact CD1-CG1 4.39Å; L145-V150 HydrophobicContact CB-CB 4.43Å; L145-V150 HydrophobicContact CD2-CB 4.12Å; L145-V150 HydrophobicContact CD2-CG1 4.24Å; L145-V150 HydrophobicContact CD2-CG2 4.06Å; L145-V150 PolarHBondContact O-N 3.1Å; L148-V150 VanDerWaalsContact C-N 3.33Å; L148-V150 HydrophobicContact CB-CG2 4.05Å; L148-V150 PolarHBondContact O-N 2.93Å; V150-I155 HydrophobicContact CG1-CD1 3.56Å; V150-I155 HydrophobicContact CG1-CG1 4.35Å
151D93.4Very high94.8Very high45 Ų4544 Ų4424%0.24125%0.246CC..  trans-83.9120.4178.8176.227000112.3N153 L154 I155 Q170D151-N153 VanDerWaalsContact C-N 3.34Å; D151-N153 PolarHBondContact O-N 3.41Å; D151-N153 WeakPolarHBondContact OD1-CB 3.38Å; D151-N153 PolarHBondContact OD1-N 3.02Å; D151-L154 HydrophobicContact CB-CB 4Å; D151-L154 PolarHBondContact O-N 2.99Å; D151-L154 WeakPolarHBondContact OD2-CB 3.46Å; D151-L154 PolarHBondContact OD2-N 3.32Å; D151-I155 PolarHBondContact O-N 3.49Å; D151-Q170 PolarHBondContact OD2-NE2 2.88Å
152M93.4Very high94.5Very high33 Ų3347.5 Ų47.516%0.16327%0.265CS..Hα-helixtrans-67.8-30.9176.7-75.2-53.8-53.300113.7L131 I135 I155 R156L131-M152 HydrophobicContact CD2-CE 4.08Å; L131-M152 HydrophobicContact CG-CE 4.15Å; I135-M152 HydrophobicContact CD1-CE 3.44Å; I135-M152 VanDerWaalsContact CD1-CE 3.44Å; I135-M152 HydrophobicContact CD1-SD 3.33Å; I135-M152 WeakPolarHBondContact CD1-SD 3.48Å; M152-I155 HydrophobicContact CE-CD1 4.48Å; M152-I155 PolarHBondContact O-N 2.82Å; M152-I155 HydrophobicContact SD-CD1 3.82Å; M152-R156 PolarHBondContact O-N 2.85Å; M152-R156 VanDerWaalsContact O-N 3.1Å
153N93.2Very high94Very high91 Ų9145.4 Ų45.449%0.48726%0.261SS..Hα-helixtrans-69.2-41.2177.3-67.6-35.4000110.3D151 R156 S157 V166D151-N153 VanDerWaalsContact C-N 3.34Å; D151-N153 PolarHBondContact O-N 3.41Å; D151-N153 WeakPolarHBondContact OD1-CB 3.38Å; D151-N153 PolarHBondContact OD1-N 3.02Å; N153-R156 PolarHBondContact O-N 2.75Å; N153-S157 WeakPolarHBondContact O-CB 3.37Å; N153-S157 PolarHBondContact O-N 3.39Å; N153-S157 PolarHBondContact O-OG 3.08Å; N153-V166 HydrophobicContact CB-CG2 4.39Å
154L95.4Very high93.2Very high5 Ų544.8 Ų44.83%0.02626%0.264CS..Hα-helixtrans-56-51.5170.7178.658.7000111.7A88 D151 R156 S157 L158 V166 L173 I179A88-L154 HydrophobicContact CB-CD2 3.84Å; A88-L154 HydrophobicContact CB-CG 4.2Å; D151-L154 HydrophobicContact CB-CB 4Å; D151-L154 PolarHBondContact O-N 2.99Å; D151-L154 WeakPolarHBondContact OD2-CB 3.46Å; D151-L154 PolarHBondContact OD2-N 3.32Å; L154-R156 PolarHBondContact O-N 2.89Å; L154-S157 WeakPolarHBondContact CA-OG 3.49Å; L154-S157 PolarHBondContact O-N 3.44Å; L154-S157 PolarHBondContact O-OG 3.35Å; L154-L158 HydrophobicContact CD1-CD1 4Å; L154-L158 HydrophobicContact CD1-CG 4.03Å; L154-L158 HydrophobicContact CG-CD1 3.94Å; L154-L158 HydrophobicContact CG-CG 4.43Å; L154-L158 WeakPolarHBondContact O-CG 3.27Å; L154-L158 PolarHBondContact O-N 3.17Å; L154-V166 HydrophobicContact CB-CG1 4.48Å; L154-V166 HydrophobicContact CD1-CG1 4.16Å; L154-L173 HydrophobicContact CD1-CD1 3.85Å; L154-L173 HydrophobicContact CD2-CD1 4.23Å; L154-I179 HydrophobicContact CD1-CD1 3.88Å
155I96.6Very high92.4Very high0 Ų045.2 Ų45.20%027%0.271CS..Hα-helixtrans-56.3-49.4-179.8-65.7165.3000111.6A88 I91 A92 L131 V150 D151 M152 S157 L158 I159A88-I155 HydrophobicContact CB-CD1 4.45Å; A88-I155 HydrophobicContact CB-CG1 3.72Å; I91-I155 HydrophobicContact CB-CD1 4.14Å; I91-I155 HydrophobicContact CD1-CD1 4.27Å; I91-I155 HydrophobicContact CG2-CD1 3.88Å; I91-I155 HydrophobicContact CG2-CG2 4.11Å; A92-I155 HydrophobicContact CB-CG2 4.02Å; L131-I155 HydrophobicContact CD2-CG2 3.4Å; V150-I155 HydrophobicContact CG1-CD1 3.56Å; V150-I155 HydrophobicContact CG1-CG1 4.35Å; D151-I155 PolarHBondContact O-N 3.49Å; M152-I155 HydrophobicContact CE-CD1 4.48Å; M152-I155 PolarHBondContact O-N 2.82Å; M152-I155 HydrophobicContact SD-CD1 3.82Å; I155-S157 VanDerWaalsContact C-N 3.34Å; I155-S157 PolarHBondContact O-N 3.02Å; I155-L158 PolarHBondContact O-N 3.31Å; I155-I159 HydrophobicContact CG2-CD1 4.1Å; I155-I159 WeakPolarHBondContact O-CG1 3.24Å; I155-I159 PolarHBondContact O-N 3.35Å; I155-I159 VanDerWaalsContact O-N 3.08Å
156R94.7Very high91.8Very high63 Ų6345.3 Ų45.324%0.23827%0.272CS..Hα-helixtrans-61.9-42.3179-76174163.7170.1-11.8112.1G128 M152 N153 L154 L158 I159 L160G128-R156 PolarHBondContact O-NE 3.16Å; G128-R156 PolarHBondContact O-NH2 2.94Å; M152-R156 PolarHBondContact O-N 2.85Å; M152-R156 VanDerWaalsContact O-N 3.1Å; N153-R156 PolarHBondContact O-N 2.75Å; L154-R156 PolarHBondContact O-N 2.89Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.79Å; R156-I159 PolarHBondContact O-N 2.92Å; R156-L160 WeakPolarHBondContact O-CG 3.36Å; R156-L160 PolarHBondContact O-N 3.2Å
157S95.1Very high91.3Very high9 Ų941.7 Ų41.76%0.06325%0.252CS..Hα-helixtrans-63.3-36.1177.976.70000112.4N153 L154 I155 L160 G161 D162 Y180N153-S157 WeakPolarHBondContact O-CB 3.37Å; N153-S157 PolarHBondContact O-N 3.39Å; N153-S157 PolarHBondContact O-OG 3.08Å; L154-S157 WeakPolarHBondContact CA-OG 3.49Å; L154-S157 PolarHBondContact O-N 3.44Å; L154-S157 PolarHBondContact O-OG 3.35Å; I155-S157 VanDerWaalsContact C-N 3.34Å; I155-S157 PolarHBondContact O-N 3.02Å; S157-L160 PolarHBondContact O-N 3.17Å; S157-G161 PolarHBondContact O-N 2.85Å; S157-D162 WeakPolarHBondContact CB-O 3.36Å; S157-D162 PolarHBondContact O-N 2.92Å; S157-D162 VanDerWaalsContact O-N 3.12Å; S157-Y180 PolarHBondContact OG-OH 3.06Å
158L97Very high90.6Very high2 Ų238.6 Ų38.61%0.0124%0.242CC..Hα-helixtrans-68-40.3176.1-71.5167.7000111.8I89 A92 L154 I155 R156 G161 I179 Y180I89-L158 HydrophobicContact CB-CD1 4.46Å; I89-L158 HydrophobicContact CG1-CD1 3.79Å; A92-L158 HydrophobicContact CB-CB 3.72Å; A92-L158 HydrophobicContact CB-CD1 4.17Å; L154-L158 HydrophobicContact CD1-CD1 4Å; L154-L158 HydrophobicContact CD1-CG 4.03Å; L154-L158 HydrophobicContact CG-CD1 3.94Å; L154-L158 HydrophobicContact CG-CG 4.43Å; L154-L158 WeakPolarHBondContact O-CG 3.27Å; L154-L158 PolarHBondContact O-N 3.17Å; I155-L158 PolarHBondContact O-N 3.31Å; R156-L158 VanDerWaalsContact C-N 3.29Å; R156-L158 PolarHBondContact O-N 2.79Å; L158-G161 PolarHBondContact O-N 3.11Å; L158-I179 HydrophobicContact CD2-CB 4.46Å; L158-I179 HydrophobicContact CD2-CD1 4.45Å; L158-I179 HydrophobicContact CD2-CG1 4.09Å; L158-Y180 HydrophobicContact CD2-CD1 3.92Å; L158-Y180 HydrophobicContact CD2-CE1 4Å; L158-Y180 HydrophobicContact CD2-CG 4.21Å; L158-Y180 HydrophobicContact CG-CE1 4.4Å
159I96.2Very high90Very high6 Ų642.1 Ų42.13%0.03126%0.257CS..Hα-helixtrans-63.4-43.6174.8-67.3171.5000110.7A92 C95 H96 E124 L131 I155 R156 G161A92-I159 HydrophobicContact CB-CG1 3.98Å; C95-I159 HydrophobicContact CB-CD1 4.36Å; H96-I159 HydrophobicContact CB-CG1 4.4Å; H96-I159 HydrophobicContact CB-CG2 4.4Å; E124-I159 HydrophobicContact CB-CG2 4.21Å; E124-I159 WeakPolarHBondContact O-CG2 3.34Å; L131-I159 HydrophobicContact CD2-CD1 4.22Å; I155-I159 HydrophobicContact CG2-CD1 4.1Å; I155-I159 WeakPolarHBondContact O-CG1 3.24Å; I155-I159 PolarHBondContact O-N 3.35Å; I155-I159 VanDerWaalsContact O-N 3.08Å; R156-I159 PolarHBondContact O-N 2.92Å; I159-G161 VanDerWaalsContact C-N 3.3Å; I159-G161 PolarHBondContact O-N 2.65Å
160L92.2Very high89.6Confident79 Ų7942.1 Ų42.141%0.41424%0.243SC..Hα-helixtrans-73.3-20.6178.7-69.5170.9000113.6E124 T125 R156 S157 D162E124-L160 HydrophobicContact CB-CD2 4.06Å; T125-L160 WeakPolarHBondContact OG1-CD2 3.2Å; R156-L160 WeakPolarHBondContact O-CG 3.36Å; R156-L160 PolarHBondContact O-N 3.2Å; S157-L160 PolarHBondContact O-N 3.17Å; L160-D162 HydrophobicContact CB-CB 4.44Å; L160-D162 PolarHBondContact O-N 3.43Å
161G90.1Very high89.1Confident19 Ų1947.5 Ų47.520%0.19627%0.271CS..THydrogen-bonded Turntrans69.217-169.900000114.3S157 L158 I159S157-G161 PolarHBondContact O-N 2.85Å; L158-G161 PolarHBondContact O-N 3.11Å; I159-G161 VanDerWaalsContact C-N 3.3Å; I159-G161 PolarHBondContact O-N 2.65Å
162D87.7Confident88.8Confident75 Ų7548.6 Ų48.640%0.40128%0.282SS..  trans-95.6103.3178176.524.3000111.3S157 L160 G164 T165 Y180S157-D162 WeakPolarHBondContact CB-O 3.36Å; S157-D162 PolarHBondContact O-N 2.92Å; S157-D162 VanDerWaalsContact O-N 3.12Å; L160-D162 HydrophobicContact CB-CB 4.44Å; L160-D162 PolarHBondContact O-N 3.43Å; D162-G164 PolarHBondContact OD1-N 3.25Å; D162-T165 PolarHBondContact OD2-OG1 3.49Å; D162-Y180 WeakPolarHBondContact O-CE1 3.43Å
163A84.5Confident88.6Confident30 Ų3047 Ų4725%0.24828%0.275CS..  trans-80.4-21.6178.800000114T165 L167 Y180A163-T165 PolarHBondContact O-N 3.49Å; A163-L167 HydrophobicContact CB-CD1 3.69Å; A163-L167 HydrophobicContact CB-CG 4.15Å; A163-L167 VanDerWaalsContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CB 3.34Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.42Å; A163-L167 PolarHBondContact O-N 3.16Å; A163-L167 VanDerWaalsContact O-N 3.08Å; A163-Y180 HydrophobicContact CB-CD1 3.99Å; A163-Y180 HydrophobicContact CB-CD2 3.61Å; A163-Y180 HydrophobicContact CB-CE1 4.06Å; A163-Y180 HydrophobicContact CB-CE2 3.7Å; A163-Y180 HydrophobicContact CB-CG 3.78Å
164G79.7Confident88.3Confident47 Ų4748.3 Ų48.349%0.48528%0.276SS..Hα-helixtrans-64.4-43.3-163.900000113.5D162 S168D162-G164 PolarHBondContact OD1-N 3.25Å; G164-S168 WeakPolarHBondContact O-CB 3.23Å; G164-S168 PolarHBondContact O-N 3.32Å; G164-S168 PolarHBondContact O-OG 2.86Å
165T78.3Confident88Confident72 Ų7252 Ų5244%0.44230%0.296SS..Hα-helixtrans-71.3-46.2-174.7-53.90000112.1D162 A163 S168 Q169D162-T165 PolarHBondContact OD2-OG1 3.49Å; A163-T165 PolarHBondContact O-N 3.49Å; T165-S168 PolarHBondContact O-OG 3Å; T165-Q169 VanDerWaalsContact O-CG 3.27Å; T165-Q169 WeakPolarHBondContact O-CG 3.27Å
166V84.2Confident87.8Confident5 Ų552.9 Ų52.93%0.0330%0.3CS..Hα-helixtrans-81.2-41.4-173.81740000111.9N153 L154 S168 Q169 Q170 L173 Y180N153-V166 HydrophobicContact CB-CG2 4.39Å; L154-V166 HydrophobicContact CB-CG1 4.48Å; L154-V166 HydrophobicContact CD1-CG1 4.16Å; V166-S168 PolarHBondContact O-N 3.43Å; V166-Q169 PolarHBondContact O-N 3.22Å; V166-Q169 VanDerWaalsContact O-N 3.15Å; V166-Q170 HydrophobicContact CG1-CG 4.4Å; V166-Q170 PolarHBondContact O-N 2.83Å; V166-L173 HydrophobicContact CG1-CD1 3.68Å; V166-Y180 WeakPolarHBondContact CB-OH 3.36Å
167L82.7Confident87.7Confident30 Ų3051.3 Ų51.316%0.15730%0.298CS..Hα-helixtrans-65.2-27.7179.2-66.6-173.2000113A163 L173 K174 P177 Y180A163-L167 HydrophobicContact CB-CD1 3.69Å; A163-L167 HydrophobicContact CB-CG 4.15Å; A163-L167 VanDerWaalsContact O-CB 3.23Å; A163-L167 WeakPolarHBondContact O-CB 3.34Å; A163-L167 VanDerWaalsContact O-CG 3.25Å; A163-L167 WeakPolarHBondContact O-CG 3.42Å; A163-L167 PolarHBondContact O-N 3.16Å; A163-L167 VanDerWaalsContact O-N 3.08Å; L167-L173 HydrophobicContact CD2-CB 3.67Å; L167-L173 WeakPolarHBondContact CD2-O 3.25Å; L167-K174 WeakPolarHBondContact O-CG 3.3Å; L167-P177 HydrophobicContact CD1-CB 3.88Å; L167-Y180 HydrophobicContact CD1-CD2 4.36Å; L167-Y180 HydrophobicContact CD1-CE2 4.12Å; L167-Y180 HydrophobicContact CD2-CE2 3.84Å; L167-Y180 HydrophobicContact CG-CE2 3.81Å
168S82.3Confident87.6Confident78 Ų7850.9 Ų50.955%0.54530%0.295SS..Hα-helixtrans-76.1-27.5176.2600000113.1G164 T165 V166G164-S168 WeakPolarHBondContact O-CB 3.23Å; G164-S168 PolarHBondContact O-N 3.32Å; G164-S168 PolarHBondContact O-OG 2.86Å; T165-S168 PolarHBondContact O-OG 3Å; V166-S168 PolarHBondContact O-N 3.43Å
169Q84.4Confident87.6Confident136 Ų13650.9 Ų50.964%0.63630%0.295SS*.Hα-helixtrans-95.7-23.9-174.8-67.2175.35.600113.7T165 V166T165-Q169 VanDerWaalsContact O-CG 3.27Å; T165-Q169 WeakPolarHBondContact O-CG 3.27Å; V166-Q169 PolarHBondContact O-N 3.22Å; V166-Q169 VanDerWaalsContact O-N 3.15Å
170Q85.6Confident87.6Confident50 Ų5051.3 Ų51.323%0.23430%0.296CS..  trans-114.6104.5-174.8-64-172.311.300112.5D151 V166 S172 L173 K174D151-Q170 PolarHBondContact OD2-NE2 2.88Å; V166-Q170 HydrophobicContact CG1-CG 4.4Å; V166-Q170 PolarHBondContact O-N 2.83Å; Q170-S172 PolarHBondContact O-N 2.8Å; Q170-L173 HydrophobicContact CB-CB 4.34Å; Q170-L173 HydrophobicContact CB-CD1 4.11Å; Q170-L173 HydrophobicContact CB-CG 4.19Å; Q170-L173 PolarHBondContact O-N 2.94Å; Q170-K174 PolarHBondContact O-N 3.06Å
171D84.2Confident87.7Confident122 Ų12247.9 Ų47.965%0.65228%0.278SS*.G310 helixtrans-56.4-34.1179.3-74.3-28.6000113.3L173 K174D171-L173 PolarHBondContact O-N 3.32Å; D171-K174 PolarHBondContact O-N 3.29Å; D171-K174 WeakPolarHBondContact OD1-CE 3.42Å; D171-K174 IonicContact OD1-NZ 2.63Å; D171-K174 PolarHBondContact OD1-NZ 2.92Å
172S86.6Confident88.1Confident68 Ų6847 Ų4748%0.47627%0.269SS..G310 helixtrans-64.8-20.5178.756.70000114.1Q170 K176Q170-S172 PolarHBondContact O-N 2.8Å; S172-K176 WeakPolarHBondContact O-CD 3.34Å; S172-K176 WeakPolarHBondContact O-CE 3.5Å; S172-K176 PolarHBondContact O-NZ 2.64Å
173L90.4Very high88.5Confident1 Ų143.8 Ų43.81%0.00525%0.251CS..G310 helixtrans-103.4-11.9-177.9-62.4-179.3000113.3E85 L154 V166 L167 Q170 D171 N175 K176 I179E85-L173 HydrophobicContact CG-CD2 4.07Å; E85-L173 WeakPolarHBondContact OE1-CD2 3.45Å; L154-L173 HydrophobicContact CD1-CD1 3.85Å; L154-L173 HydrophobicContact CD2-CD1 4.23Å; V166-L173 HydrophobicContact CG1-CD1 3.68Å; L167-L173 HydrophobicContact CD2-CB 3.67Å; L167-L173 WeakPolarHBondContact CD2-O 3.25Å; Q170-L173 HydrophobicContact CB-CB 4.34Å; Q170-L173 HydrophobicContact CB-CD1 4.11Å; Q170-L173 HydrophobicContact CB-CG 4.19Å; Q170-L173 PolarHBondContact O-N 2.94Å; D171-L173 PolarHBondContact O-N 3.32Å; L173-N175 PolarHBondContact O-N 2.65Å; L173-N175 VanDerWaalsContact O-N 3.07Å; L173-K176 HydrophobicContact CD2-CD 4.18Å; L173-K176 WeakPolarHBondContact O-CA 3.42Å; L173-K176 PolarHBondContact O-N 3.44Å; L173-I179 HydrophobicContact CD2-CD1 4.1Å
174K86.3Confident88.9Confident118 Ų11844.4 Ų44.451%0.51325%0.254SS..THydrogen-bonded Turntrans-54.1-32.9-177.4-77.4-178.3175.7170.40113.7L167 Q170 D171L167-K174 WeakPolarHBondContact O-CG 3.3Å; Q170-K174 PolarHBondContact O-N 3.06Å; D171-K174 PolarHBondContact O-N 3.29Å; D171-K174 WeakPolarHBondContact OD1-CE 3.42Å; D171-K174 IonicContact OD1-NZ 2.63Å; D171-K174 PolarHBondContact OD1-NZ 2.92Å
175N88.8Confident89.5Confident81 Ų8142.4 Ų42.443%0.43323%0.232SC..THydrogen-bonded Turntrans-93.83.5177.667.1-14.5000114.1P79 L173P79-N175 HydrophobicContact CG-CB 4.37Å; P79-N175 WeakPolarHBondContact CG-O 3.3Å; L173-N175 PolarHBondContact O-N 2.65Å; L173-N175 VanDerWaalsContact O-N 3.07Å
176K93.3Very high90Very high19 Ų1943.4 Ų43.48%0.08324%0.242CC..  trans-119.638.2-176.6-63159.8-174.2-1770114P79 T80 L81 E85 S172 L173 F178 I179P79-K176 HydrophobicContact CB-CG 3.71Å; T80-K176 WeakPolarHBondContact O-CE 3.14Å; T80-K176 PolarHBondContact O-NZ 2.92Å; T80-K176 VanDerWaalsContact O-NZ 3.08Å; L81-K176 HydrophobicContact CD2-CB 4.49Å; L81-K176 HydrophobicContact CD2-CD 3.84Å; L81-K176 HydrophobicContact CD2-CG 4.2Å; E85-K176 IonicContact OE1-NZ 3.95Å; E85-K176 PolarHBondContact OE1-NZ 3.11Å; E85-K176 IonicContact OE2-NZ 2.63Å; E85-K176 PolarHBondContact OE2-NZ 3Å; S172-K176 WeakPolarHBondContact O-CD 3.34Å; S172-K176 WeakPolarHBondContact O-CE 3.5Å; S172-K176 PolarHBondContact O-NZ 2.64Å; L173-K176 HydrophobicContact CD2-CD 4.18Å; L173-K176 WeakPolarHBondContact O-CA 3.42Å; L173-K176 PolarHBondContact O-N 3.44Å; K176-F178 HydrophobicContact CB-CD1 4.43Å; K176-F178 HydrophobicContact CB-CE1 3.95Å; K176-F178 HydrophobicContact CB-CZ 4.39Å; K176-F178 HydrophobicContact CG-CE1 4.05Å; K176-F178 HydrophobicContact CG-CZ 4.39Å; K176-F178 PolarHBondContact O-N 2.97Å; K176-F178 VanDerWaalsContact O-N 3.08Å; K176-I179 HydrophobicContact CB-CG2 4.21Å; K176-I179 WeakPolarHBondContact O-CG1 3.4Å; K176-I179 WeakPolarHBondContact O-CG2 3.35Å; K176-I179 PolarHBondContact O-N 2.97Å; K176-I179 VanDerWaalsContact O-N 3.16Å
177P92Very high90.2Very high31 Ų3146.5 Ų46.520%0.20126%0.258CS..G310 helixtrans-59.9-25.5-178.926.3-34.3000113.1L167 I179 Y180 C241L167-P177 HydrophobicContact CD1-CB 3.88Å; P177-I179 PolarHBondContact O-N 2.73Å; P177-Y180 PolarHBondContact O-N 2.71Å; P177-C241 WeakPolarHBondContact CG-SG 3.34Å
178F94.2Very high90.6Very high0 Ų045 Ų450%025%0.251CS..G310 helixtrans-56-17.6176.270.8-97.1000114.8P79 L81 K176 Y180 E181 P225 W242 L244P79-F178 HydrophobicContact CB-CE1 4.35Å; P79-F178 HydrophobicContact CG-CE1 4.45Å; L81-F178 HydrophobicContact CD1-CE2 4.27Å; L81-F178 HydrophobicContact CD2-CE2 4.28Å; L81-F178 HydrophobicContact CD2-CZ 3.97Å; L81-F178 HydrophobicContact CG-CE2 4.44Å; L81-F178 HydrophobicContact CG-CZ 4.31Å; K176-F178 HydrophobicContact CB-CD1 4.43Å; K176-F178 HydrophobicContact CB-CE1 3.95Å; K176-F178 HydrophobicContact CB-CZ 4.39Å; K176-F178 HydrophobicContact CG-CE1 4.05Å; K176-F178 HydrophobicContact CG-CZ 4.39Å; K176-F178 PolarHBondContact O-N 2.97Å; K176-F178 VanDerWaalsContact O-N 3.08Å; F178-Y180 PolarHBondContact O-N 3.44Å; F178-E181 VanDerWaalsContact O-CB 3.28Å; F178-E181 WeakPolarHBondContact O-CB 3.49Å; F178-E181 PolarHBondContact O-N 3Å; F178-P225 HydrophobicContact CD1-CB 3.95Å; F178-P225 HydrophobicContact CD1-CG 4.05Å; F178-P225 HydrophobicContact CD2-CB 4.18Å; F178-P225 HydrophobicContact CD2-CG 3.47Å; F178-P225 VanDerWaalsContact CD2-CG 3.47Å; F178-P225 HydrophobicContact CE1-CB 4.11Å; F178-P225 HydrophobicContact CE1-CG 3.98Å; F178-P225 HydrophobicContact CE2-CB 4.35Å; F178-P225 HydrophobicContact CE2-CG 3.41Å; F178-P225 VanDerWaalsContact CE2-CG 3.41Å; F178-P225 HydrophobicContact CG-CB 3.98Å; F178-P225 HydrophobicContact CG-CG 3.8Å; F178-P225 HydrophobicContact CZ-CB 4.31Å; F178-P225 HydrophobicContact CZ-CG 3.67Å; F178-W242 WeakPolarHBondContact CB-O 3.42Å; F178-W242 HydrophobicContact CD1-CB 3.76Å; F178-W242 HydrophobicContact CE1-CB 4.39Å; F178-L244 HydrophobicContact CB-CG 4.26Å; F178-L244 HydrophobicContact CD2-CD2 4.13Å; F178-L244 HydrophobicContact CD2-CG 4.37Å
179I96.1Very high91Very high2 Ų241.3 Ų41.31%0.0123%0.225CC..G310 helixtrans-62.2-30.5177.666.4-176.6000112.2L81 I89 L154 L158 L173 K176 P177 E181 I182L81-I179 HydrophobicContact CD1-CG2 4.29Å; L81-I179 HydrophobicContact CD2-CG2 3.6Å; I89-I179 HydrophobicContact CD1-CB 4.13Å; I89-I179 HydrophobicContact CD1-CG2 4.06Å; L154-I179 HydrophobicContact CD1-CD1 3.88Å; L158-I179 HydrophobicContact CD2-CB 4.46Å; L158-I179 HydrophobicContact CD2-CD1 4.45Å; L158-I179 HydrophobicContact CD2-CG1 4.09Å; L173-I179 HydrophobicContact CD2-CD1 4.1Å; K176-I179 HydrophobicContact CB-CG2 4.21Å; K176-I179 WeakPolarHBondContact O-CG1 3.4Å; K176-I179 WeakPolarHBondContact O-CG2 3.35Å; K176-I179 PolarHBondContact O-N 2.97Å; K176-I179 VanDerWaalsContact O-N 3.16Å; P177-I179 PolarHBondContact O-N 2.73Å; I179-E181 PolarHBondContact O-N 2.75Å; I179-I182 WeakPolarHBondContact O-CB 3.39Å; I179-I182 PolarHBondContact O-N 3.29Å
180Y95.3Very high91.5Very high14 Ų1434.9 Ų34.96%0.05519%0.194CC..Hα-helixtrans-72.1-17.5176.3-69.5-88.6000112.2S157 L158 D162 A163 V166 L167 P177 F178 I182 S184S157-Y180 PolarHBondContact OG-OH 3.06Å; L158-Y180 HydrophobicContact CD2-CD1 3.92Å; L158-Y180 HydrophobicContact CD2-CE1 4Å; L158-Y180 HydrophobicContact CD2-CG 4.21Å; L158-Y180 HydrophobicContact CG-CE1 4.4Å; D162-Y180 WeakPolarHBondContact O-CE1 3.43Å; A163-Y180 HydrophobicContact CB-CD1 3.99Å; A163-Y180 HydrophobicContact CB-CD2 3.61Å; A163-Y180 HydrophobicContact CB-CE1 4.06Å; A163-Y180 HydrophobicContact CB-CE2 3.7Å; A163-Y180 HydrophobicContact CB-CG 3.78Å; V166-Y180 WeakPolarHBondContact CB-OH 3.36Å; L167-Y180 HydrophobicContact CD1-CD2 4.36Å; L167-Y180 HydrophobicContact CD1-CE2 4.12Å; L167-Y180 HydrophobicContact CD2-CE2 3.84Å; L167-Y180 HydrophobicContact CG-CE2 3.81Å; P177-Y180 PolarHBondContact O-N 2.71Å; F178-Y180 PolarHBondContact O-N 3.44Å; Y180-I182 VanDerWaalsContact C-N 3.28Å; Y180-I182 PolarHBondContact O-N 3.09Å; Y180-S184 CarbonylContact O-C 3.59Å; Y180-S184 VanDerWaalsContact O-C 3.25Å; Y180-S184 PolarHBondContact O-N 2.81Å
181E95.9Very high91.9Very high8 Ų832.8 Ų32.84%0.03719%0.185CC..Hα-helixtrans-79-10.6174.5-61.2171.7-150.900112.8F178 I179 N185 L187 H243 L244F178-E181 VanDerWaalsContact O-CB 3.28Å; F178-E181 WeakPolarHBondContact O-CB 3.49Å; F178-E181 PolarHBondContact O-N 3Å; I179-E181 PolarHBondContact O-N 2.75Å; E181-N185 HydrophobicContact CB-CB 4.5Å; E181-N185 WeakPolarHBondContact CB-ND2 3.24Å; E181-N185 PolarHBondContact O-ND2 2.86Å; E181-L187 HydrophobicContact CG-CD1 4.41Å; E181-H243 IonicContact OE1-CE1 3.79Å; E181-H243 IonicContact OE1-CG 2.65Å; E181-H243 IonicContact OE1-ND1 3.29Å; E181-H243 PolarHBondContact OE1-ND1 3.26Å; E181-L244 HydrophobicContact CB-CB 4.4Å; E181-L244 HydrophobicContact CB-CD1 3.7Å; E181-L244 HydrophobicContact CB-CG 4.15Å; E181-L244 WeakPolarHBondContact OE2-CB 3.35Å; E181-L244 PolarHBondContact OE2-N 3.34Å
182I97.2Very high92.5Very high0 Ų027 Ų270%015%0.154CC..Hα-helixtrans-75-49.8-178.8-64.9172.8000111.2L66 L67 I89 I179 Y180 D191 V192 L244L66-I182 HydrophobicContact CD2-CG1 4.14Å; L66-I182 HydrophobicContact CD2-CG2 4.09Å; L67-I182 HydrophobicContact CD2-CD1 3.89Å; I89-I182 HydrophobicContact CD1-CD1 3.97Å; I89-I182 HydrophobicContact CG2-CB 4.3Å; I89-I182 HydrophobicContact CG2-CD1 4.15Å; I89-I182 HydrophobicContact CG2-CG2 3.74Å; I179-I182 WeakPolarHBondContact O-CB 3.39Å; I179-I182 PolarHBondContact O-N 3.29Å; Y180-I182 VanDerWaalsContact C-N 3.28Å; Y180-I182 PolarHBondContact O-N 3.09Å; I182-D191 WeakPolarHBondContact O-CA 3.31Å; I182-D191 VanDerWaalsContact O-CB 3.28Å; I182-D191 WeakPolarHBondContact O-CB 3.41Å; I182-V192 HydrophobicContact CG2-CG1 4.22Å; I182-V192 HydrophobicContact CG2-CG2 4.3Å; I182-V192 WeakPolarHBondContact O-CG2 3.32Å; I182-V192 PolarHBondContact O-N 2.94Å; I182-L244 HydrophobicContact CG1-CD1 3.71Å
183L96.9Very high93Very high7 Ų725.5 Ų25.54%0.03714%0.14CC..Hα-helixtrans-103.5-43.1-171.5179.760.5000113.4T59 A92 A93 H96 D191 V192 D193T59-L183 HydrophobicContact CG2-CD1 3.91Å; A92-L183 VanDerWaalsContact C-CD2 3.49Å; A92-L183 HydrophobicContact CB-CD2 3.64Å; A93-L183 HydrophobicContact CB-CD1 3.98Å; H96-L183 HydrophobicContact CB-CD1 4.45Å; H96-L183 HydrophobicContact CB-CD2 4.25Å; L183-D191 VanDerWaalsContact O-CB 3.28Å; L183-D191 WeakPolarHBondContact O-CB 3.45Å; L183-D191 VanDerWaalsContact O-CG 3.29Å; L183-V192 HydrophobicContact CD1-CG2 4.18Å; L183-D193 HydrophobicContact CD1-CB 4.38Å
184S92.4Very high93.2Very high44 Ų4425.9 Ų25.931%0.30814%0.142SC..  trans-13579-176.1173.40000110Y180 S186Y180-S184 CarbonylContact O-C 3.59Å; Y180-S184 VanDerWaalsContact O-C 3.25Å; Y180-S184 PolarHBondContact O-N 2.81Å; S184-S186 PolarHBondContact O-N 2.89Å
185N93.1Very high93.6Very high5 Ų520.3 Ų20.33%0.02712%0.118CC..  trans-80.891.3-172.9-168-30.9000111.7E181 L187 N188 G189 M190 D191E181-N185 HydrophobicContact CB-CB 4.5Å; E181-N185 WeakPolarHBondContact CB-ND2 3.24Å; E181-N185 PolarHBondContact O-ND2 2.86Å; N185-L187 PolarHBondContact O-N 2.66Å; N185-L187 WeakPolarHBondContact OD1-CB 3.36Å; N185-L187 PolarHBondContact OD1-N 3.29Å; N185-N188 PolarHBondContact ND2-OD1 3.34Å; N185-N188 PolarHBondContact OD1-N 3.36Å; N185-N188 VanDerWaalsContact OD1-N 3.11Å; N185-N188 PolarHBondContact OD1-OD1 3.49Å; N185-G189 WeakPolarHBondContact O-CA 3.07Å; N185-G189 PolarHBondContact O-N 3.02Å; N185-M190 VanDerWaalsContact CB-O 3.29Å; N185-M190 WeakPolarHBondContact CB-O 3.48Å; N185-M190 PolarHBondContact ND2-O 2.75Å; N185-D191 HydrophobicContact CB-CB 4.06Å; N185-D191 PolarHBondContact N-OD2 2.8Å
186S87.8Confident93.9Very high92 Ų9216.4 Ų16.464%0.64310%0.097SC*.THydrogen-bonded Turntrans-71-16179.761.90000114.4S184 T475S184-S186 PolarHBondContact O-N 2.89Å; S186-T475 WeakPolarHBondContact O-CG2 3.24Å
187L88.5Confident94Very high70 Ų7016.8 Ų16.837%0.36610%0.098SC..THydrogen-bonded Turntrans-78-40.1-179.6-65.5174.9000112.4E181 N185 R480 Y482E181-L187 HydrophobicContact CG-CD1 4.41Å; N185-L187 PolarHBondContact O-N 2.66Å; N185-L187 WeakPolarHBondContact OD1-CB 3.36Å; N185-L187 PolarHBondContact OD1-N 3.29Å; L187-R480 PolarHBondContact O-N 2.95Å; L187-Y482 HydrophobicContact CD1-CE2 4.13Å
188N90.9Very high94Very high0 Ų015.4 Ų15.40%09%0.089CC..THydrogen-bonded Turntrans-147.85.4-175.266.745.4000115.6N185 M190 N473 P479 R480 F481N185-N188 PolarHBondContact ND2-OD1 3.34Å; N185-N188 PolarHBondContact OD1-N 3.36Å; N185-N188 VanDerWaalsContact OD1-N 3.11Å; N185-N188 PolarHBondContact OD1-OD1 3.49Å; N188-M190 PolarHBondContact O-N 3.33Å; N188-M190 VanDerWaalsContact O-N 3.13Å; N188-M190 VanDerWaalsContact OD1-CB 3.28Å; N188-M190 WeakPolarHBondContact OD1-CB 3.39Å; N188-M190 PolarHBondContact OD1-N 2.77Å; N188-N473 PolarHBondContact O-ND2 3.27Å; N188-N473 PolarHBondContact O-OD1 2.93Å; N188-P479 HydrophobicContact CB-CB 3.87Å; N188-R480 VanDerWaalsContact CB-O 3.29Å; N188-R480 WeakPolarHBondContact CB-O 3.34Å; N188-R480 PolarHBondContact ND2-O 2.95Å; N188-F481 HydrophobicContact CB-CD1 3.71Å; N188-F481 HydrophobicContact CB-CE1 3.51Å; N188-F481 HydrophobicContact CB-CG 4.43Å; N188-F481 HydrophobicContact CB-CZ 4.09Å
189G92Very high93.9Very high0 Ų017.8 Ų17.80%010%0.102CC..  trans70.60.4175.900000114.7N185 D191 K194 S474N185-G189 WeakPolarHBondContact O-CA 3.07Å; N185-G189 PolarHBondContact O-N 3.02Å; G189-D191 PolarHBondContact O-N 2.79Å; G189-K194 WeakPolarHBondContact O-CD 3.44Å; G189-K194 WeakPolarHBondContact O-CE 3.45Å; G189-K194 PolarHBondContact O-NZ 3.47Å; G189-S474 WeakPolarHBondContact CA-OG 3.49Å
190M93.5Very high93.9Very high0 Ų017.8 Ų17.80%010%0.102CC..  trans-86.7105.5179-63.7-66.4-69.500110.2N185 N188 W195 F219 F246 L254 T257 F258 F481N185-M190 VanDerWaalsContact CB-O 3.29Å; N185-M190 WeakPolarHBondContact CB-O 3.48Å; N185-M190 PolarHBondContact ND2-O 2.75Å; N188-M190 PolarHBondContact O-N 3.33Å; N188-M190 VanDerWaalsContact O-N 3.13Å; N188-M190 VanDerWaalsContact OD1-CB 3.28Å; N188-M190 WeakPolarHBondContact OD1-CB 3.39Å; N188-M190 PolarHBondContact OD1-N 2.77Å; M190-W195 HydrophobicContact CB-CZ2 4.35Å; M190-W195 HydrophobicContact CE-CZ2 4.15Å; M190-W195 VanDerWaalsContact CE-NE1 3.29Å; M190-F219 HydrophobicContact CE-CE2 4.02Å; M190-F219 HydrophobicContact CE-CZ 4.28Å; M190-F246 HydrophobicContact CB-CE2 4.4Å; M190-F246 HydrophobicContact CB-CZ 3.81Å; M190-F246 HydrophobicContact CE-CE1 4.11Å; M190-F246 HydrophobicContact CE-CZ 3.87Å; M190-F246 HydrophobicContact CG-CE2 4.31Å; M190-F246 HydrophobicContact CG-CZ 3.85Å; M190-L254 HydrophobicContact CE-CD1 3.64Å; M190-L254 HydrophobicContact CG-CD1 3.77Å; M190-L254 HydrophobicContact SD-CD1 3.81Å; M190-T257 HydrophobicContact CE-CG2 4.04Å; M190-T257 HydrophobicContact SD-CG2 4.11Å; M190-F258 HydrophobicContact CG-CZ 3.89Å; M190-F258 HydrophobicContact SD-CE1 4.02Å; M190-F258 HydrophobicContact SD-CE2 4.27Å; M190-F258 HydrophobicContact SD-CZ 3.54Å; M190-F258 VanDerWaalsContact SD-CZ 3.54Å; M190-F481 HydrophobicContact CG-CD1 4.39Å; M190-F481 HydrophobicContact CG-CE1 3.86Å
191D95.4Very high93.9Very high7 Ų717.2 Ų17.24%0.03710%0.099CC..SBendtrans-146.7168.3-177.749.653.2000110.5I182 L183 N185 G189 D193 K194 W195I182-D191 WeakPolarHBondContact O-CA 3.31Å; I182-D191 VanDerWaalsContact O-CB 3.28Å; I182-D191 WeakPolarHBondContact O-CB 3.41Å; L183-D191 VanDerWaalsContact O-CB 3.28Å; L183-D191 WeakPolarHBondContact O-CB 3.45Å; L183-D191 VanDerWaalsContact O-CG 3.29Å; N185-D191 HydrophobicContact CB-CB 4.06Å; N185-D191 PolarHBondContact N-OD2 2.8Å; G189-D191 PolarHBondContact O-N 2.79Å; D191-D193 VanDerWaalsContact C-N 3.31Å; D191-D193 PolarHBondContact O-N 2.78Å; D191-K194 VanDerWaalsContact O-CB 3.32Å; D191-K194 WeakPolarHBondContact O-CB 3.41Å; D191-K194 PolarHBondContact O-N 3.38Å; D191-K194 WeakPolarHBondContact OD1-CB 3.43Å; D191-K194 PolarHBondContact OD1-N 3.09Å; D191-K194 IonicContact OD1-NZ 3.59Å; D191-K194 PolarHBondContact OD1-NZ 3.36Å; D191-K194 IonicContact OD2-NZ 3.68Å; D191-K194 PolarHBondContact OD2-NZ 3.41Å; D191-W195 VanDerWaalsContact O-CD2 3.31Å; D191-W195 PolarHBondContact O-N 3.1Å
192V96.7Very high93.7Very high0 Ų017.1 Ų17.10%010%0.099CC..Hα-helixtrans-69.4-27.7-175.7-64.30000113.5T59 M62 A63 L66 I182 L183 W195 D196T59-V192 HydrophobicContact CG2-CG2 3.91Å; M62-V192 HydrophobicContact CB-CB 3.73Å; M62-V192 HydrophobicContact CB-CG1 4.08Å; A63-V192 HydrophobicContact CB-CG2 4.11Å; L66-V192 HydrophobicContact CB-CG1 4.48Å; L66-V192 HydrophobicContact CD2-CG1 4.1Å; I182-V192 HydrophobicContact CG2-CG1 4.22Å; I182-V192 HydrophobicContact CG2-CG2 4.3Å; I182-V192 WeakPolarHBondContact O-CG2 3.32Å; I182-V192 PolarHBondContact O-N 2.94Å; L183-V192 HydrophobicContact CD1-CG2 4.18Å; V192-W195 HydrophobicContact CB-CE3 4.4Å; V192-W195 HydrophobicContact CG1-CE3 3.91Å; V192-W195 HydrophobicContact CG1-CZ3 3.82Å; V192-W195 PolarHBondContact O-N 3.5Å; V192-D196 PolarHBondContact O-N 2.86Å; V192-D196 VanDerWaalsContact O-N 3.14Å
193D97.1Very high93.5Very high36 Ų3620.8 Ų20.819%0.19312%0.119CC..Hα-helixtrans-59.6-49.2171.5164.642.1000109.6H55 T59 H96 L183 D191 W195 D196 Y197H55-D193 IonicContact CE1-OD1 2.72Å; H55-D193 PolarHBondContact CE1-OD1 2.76Å; H55-D193 IonicContact NE2-OD1 2.65Å; H55-D193 PolarHBondContact NE2-OD1 3.37Å; T59-D193 HydrophobicContact CG2-CB 4.08Å; H96-D193 IonicContact NE2-OD1 3.58Å; L183-D193 HydrophobicContact CD1-CB 4.38Å; D191-D193 VanDerWaalsContact C-N 3.31Å; D191-D193 PolarHBondContact O-N 2.78Å; D193-W195 VanDerWaalsContact C-N 3.29Å; D193-W195 PolarHBondContact O-N 2.88Å; D193-D196 PolarHBondContact O-N 2.66Å; D193-Y197 WeakPolarHBondContact O-CD1 3.42Å; D193-Y197 PolarHBondContact O-N 3.37Å
194K94Very high93.3Very high9 Ų922.4 Ų22.44%0.03913%0.126CC..Hα-helixtrans-53.3-49.5176.6-144139.5-71.665.90113.1G189 D191 D196 Y197 L198 S474G189-K194 WeakPolarHBondContact O-CD 3.44Å; G189-K194 WeakPolarHBondContact O-CE 3.45Å; G189-K194 PolarHBondContact O-NZ 3.47Å; D191-K194 VanDerWaalsContact O-CB 3.32Å; D191-K194 WeakPolarHBondContact O-CB 3.41Å; D191-K194 PolarHBondContact O-N 3.38Å; D191-K194 WeakPolarHBondContact OD1-CB 3.43Å; D191-K194 PolarHBondContact OD1-N 3.09Å; D191-K194 IonicContact OD1-NZ 3.59Å; D191-K194 PolarHBondContact OD1-NZ 3.36Å; D191-K194 IonicContact OD2-NZ 3.68Å; D191-K194 PolarHBondContact OD2-NZ 3.41Å; K194-D196 VanDerWaalsContact C-N 3.33Å; K194-Y197 VanDerWaalsContact CA-CD1 3.49Å; K194-Y197 VanDerWaalsContact CA-CE1 3.44Å; K194-Y197 HydrophobicContact CB-CE1 4.13Å; K194-Y197 HydrophobicContact CD-CE1 4.46Å; K194-Y197 HydrophobicContact CG-CE1 3.65Å; K194-Y197 PolarHBondContact O-N 3.23Å; K194-L198 HydrophobicContact CG-CD1 3.89Å; K194-L198 HydrophobicContact CG-CG 4.22Å; K194-L198 VanDerWaalsContact O-CB 3.28Å; K194-L198 WeakPolarHBondContact O-CB 3.36Å; K194-L198 WeakPolarHBondContact O-CG 3.49Å; K194-L198 PolarHBondContact O-N 3.49Å; K194-S474 WeakPolarHBondContact CE-OG 3.46Å
195W93.9Very high93.3Very high1 Ų121 Ų210%0.00412%0.117CC..Hα-helixtrans-69.5-38-169.9-60.6-24000110.9M62 L66 M190 D191 V192 D193 L199 I216 L220 Y223M62-W195 HydrophobicContact CE-CB 3.76Å; M62-W195 HydrophobicContact CE-CE3 4.1Å; L66-W195 HydrophobicContact CD2-CZ3 4.35Å; M190-W195 HydrophobicContact CB-CZ2 4.35Å; M190-W195 HydrophobicContact CE-CZ2 4.15Å; M190-W195 VanDerWaalsContact CE-NE1 3.29Å; D191-W195 VanDerWaalsContact O-CD2 3.31Å; D191-W195 PolarHBondContact O-N 3.1Å; V192-W195 HydrophobicContact CB-CE3 4.4Å; V192-W195 HydrophobicContact CG1-CE3 3.91Å; V192-W195 HydrophobicContact CG1-CZ3 3.82Å; V192-W195 PolarHBondContact O-N 3.5Å; D193-W195 VanDerWaalsContact C-N 3.29Å; D193-W195 PolarHBondContact O-N 2.88Å; W195-L199 WeakPolarHBondContact O-CD1 3.45Å; W195-L199 VanDerWaalsContact O-CG 3.23Å; W195-L199 WeakPolarHBondContact O-CG 3.3Å; W195-L199 PolarHBondContact O-N 2.86Å; W195-I216 HydrophobicContact CB-CD1 4.16Å; W195-I216 HydrophobicContact CB-CG1 4.32Å; W195-I216 HydrophobicContact CB-CG2 3.81Å; W195-I216 HydrophobicContact CD2-CG2 4.09Å; W195-I216 HydrophobicContact CE3-CG2 4.25Å; W195-I216 HydrophobicContact CG-CD1 3.84Å; W195-I216 HydrophobicContact CG-CG1 4.48Å; W195-I216 HydrophobicContact CG-CG2 3.92Å; W195-L220 HydrophobicContact CE3-CD2 3.83Å; W195-L220 HydrophobicContact CH2-CD2 4.18Å; W195-L220 HydrophobicContact CZ3-CD2 3.33Å; W195-L220 HydrophobicContact CZ3-CG 4.41Å; W195-Y223 AromaticContact CH2-CD1 3.62Å; W195-Y223 HydrophobicContact CH2-CD1 3.62Å; W195-Y223 AromaticContact CH2-CE1 3.66Å; W195-Y223 HydrophobicContact CH2-CE1 3.66Å; W195-Y223 HydrophobicContact CH2-CG 4.48Å; W195-Y223 HydrophobicContact CZ2-CD1 4.43Å; W195-Y223 HydrophobicContact CZ2-CE1 4.24Å
196D96.1Very high93Very high0 Ų023.8 Ų23.80%015%0.147CC..Hα-helixtrans-62.2-55.3171.7-174.781.8000111.2H11 H55 G58 M62 V192 D193 K194 L198 L199 R200H11-D196 IonicContact CD2-OD1 2.75Å; H11-D196 IonicContact CE1-OD1 2.87Å; H11-D196 IonicContact NE2-OD1 3.22Å; H11-D196 PolarHBondContact NE2-OD1 3.41Å; H55-D196 WeakPolarHBondContact CA-OD2 3.47Å; H55-D196 IonicContact CE1-OD2 2.61Å; H55-D196 IonicContact CG-OD2 3.33Å; H55-D196 IonicContact ND1-OD2 3.35Å; H55-D196 PolarHBondContact ND1-OD2 3.08Å; G58-D196 WeakPolarHBondContact CA-OD1 3.41Å; M62-D196 HydrophobicContact CG-CB 4.41Å; V192-D196 PolarHBondContact O-N 2.86Å; V192-D196 VanDerWaalsContact O-N 3.14Å; D193-D196 PolarHBondContact O-N 2.66Å; K194-D196 VanDerWaalsContact C-N 3.33Å; D196-L198 VanDerWaalsContact C-N 3.31Å; D196-L198 PolarHBondContact O-N 3.35Å; D196-L199 PolarHBondContact O-N 3.13Å; D196-R200 VanDerWaalsContact O-CB 3.22Å; D196-R200 WeakPolarHBondContact O-CB 3.37Å; D196-R200 PolarHBondContact O-N 3.45Å; D196-R200 IonicContact OD1-CZ 2.71Å; D196-R200 IonicContact OD1-NE 3.1Å; D196-R200 IonicContact OD1-NH2 3.44Å; D196-R200 PolarHBondContact OD1-NH2 3.2Å; D196-R200 IonicContact OD2-CZ 2.65Å; D196-R200 IonicContact OD2-NE 3.94Å; D196-R200 PolarHBondContact OD2-NE 3.47Å; D196-R200 IonicContact OD2-NH2 3.26Å
197Y95Very high92.7Very high26 Ų2621.7 Ų21.710%0.10213%0.129CC..Hα-helixtrans-64.4-37.3-173.986.3-117.4000111.5D193 K194 L199 R200 D201 R261 Y269D193-Y197 WeakPolarHBondContact O-CD1 3.42Å; D193-Y197 PolarHBondContact O-N 3.37Å; K194-Y197 VanDerWaalsContact CA-CD1 3.49Å; K194-Y197 VanDerWaalsContact CA-CE1 3.44Å; K194-Y197 HydrophobicContact CB-CE1 4.13Å; K194-Y197 HydrophobicContact CD-CE1 4.46Å; K194-Y197 HydrophobicContact CG-CE1 3.65Å; K194-Y197 PolarHBondContact O-N 3.23Å; Y197-L199 PolarHBondContact O-N 3.1Å; Y197-R200 PolarHBondContact O-N 2.87Å; Y197-D201 WeakPolarHBondContact CD2-OD2 3.39Å; Y197-D201 WeakPolarHBondContact O-CA 3.39Å; Y197-D201 WeakPolarHBondContact O-CB 3.5Å; Y197-D201 PolarHBondContact O-N 3.11Å; Y197-R261 WeakPolarHBondContact OH-CD 3.45Å; Y197-R261 PolarHBondContact OH-NE 3.16Å; Y197-Y269 WeakPolarHBondContact CD2-OH 3.42Å; Y197-Y269 WeakPolarHBondContact CE2-OH 3.46Å
198L92.6Very high91.4Very high3 Ų319.9 Ų19.92%0.01613%0.126CC..Hα-helixtrans-61.5-46.3178.8-74.4176.9000111.2K194 D196 C202 T257 L260 R261 L264K194-L198 HydrophobicContact CG-CD1 3.89Å; K194-L198 HydrophobicContact CG-CG 4.22Å; K194-L198 VanDerWaalsContact O-CB 3.28Å; K194-L198 WeakPolarHBondContact O-CB 3.36Å; K194-L198 WeakPolarHBondContact O-CG 3.49Å; K194-L198 PolarHBondContact O-N 3.49Å; D196-L198 VanDerWaalsContact C-N 3.31Å; D196-L198 PolarHBondContact O-N 3.35Å; L198-C202 WeakPolarHBondContact O-CB 3.5Å; L198-C202 PolarHBondContact O-N 3.03Å; L198-C202 PolarHBondContact O-SG 3.31Å; L198-T257 HydrophobicContact CD1-CG2 3.51Å; L198-L260 HydrophobicContact CB-CD2 4.36Å; L198-L260 HydrophobicContact CD2-CG 4.46Å; L198-R261 HydrophobicContact CD2-CB 3.93Å; L198-R261 HydrophobicContact CD2-CG 4.48Å; L198-L264 HydrophobicContact CD2-CD1 3.56Å
199L92.5Very high89.5Confident50 Ų5023.7 Ų23.726%0.26216%0.158SC..Hα-helixtrans-67.4-46.4178.3-66.3173.4000111.2V10 W195 D196 Y197 C202 L203 I216V10-L199 HydrophobicContact CG1-CB 3.6Å; V10-L199 HydrophobicContact CG1-CD1 4.25Å; W195-L199 WeakPolarHBondContact O-CD1 3.45Å; W195-L199 VanDerWaalsContact O-CG 3.23Å; W195-L199 WeakPolarHBondContact O-CG 3.3Å; W195-L199 PolarHBondContact O-N 2.86Å; D196-L199 PolarHBondContact O-N 3.13Å; Y197-L199 PolarHBondContact O-N 3.1Å; L199-C202 PolarHBondContact O-N 3.26Å; L199-L203 PolarHBondContact O-N 3.49Å; L199-L203 VanDerWaalsContact O-N 3.13Å; L199-I216 HydrophobicContact CD1-CB 4.29Å; L199-I216 HydrophobicContact CD1-CG1 4.05Å; L199-I216 HydrophobicContact CD2-CG1 4.24Å; L199-I216 HydrophobicContact CG-CG1 4.23Å
200R94.6Very high87.3Confident2 Ų228.4 Ų28.41%0.00819%0.191CC..Hα-helixtrans-66.3-45.5-177.4-169.1175.4-59.1-74.9-10.9112.5D8 V10 E54 D196 Y197 L203 H204D8-R200 IonicContact OD1-CZ 3.91Å; D8-R200 IonicContact OD1-NH1 3.06Å; D8-R200 PolarHBondContact OD1-NH1 3.27Å; D8-R200 IonicContact OD1-NH2 3.53Å; D8-R200 PolarHBondContact OD1-NH2 3.11Å; D8-R200 IonicContact OD2-NH1 2.96Å; D8-R200 IonicContact OD2-NH2 2.94Å; D8-R200 PolarHBondContact OD2-NH2 3.28Å; V10-R200 HydrophobicContact CG2-CB 3.85Å; V10-R200 HydrophobicContact CG2-CG 3.99Å; E54-R200 PolarHBondContact O-NH2 3.46Å; D196-R200 VanDerWaalsContact O-CB 3.22Å; D196-R200 WeakPolarHBondContact O-CB 3.37Å; D196-R200 PolarHBondContact O-N 3.45Å; D196-R200 IonicContact OD1-CZ 2.71Å; D196-R200 IonicContact OD1-NE 3.1Å; D196-R200 IonicContact OD1-NH2 3.44Å; D196-R200 PolarHBondContact OD1-NH2 3.2Å; D196-R200 IonicContact OD2-CZ 2.65Å; D196-R200 IonicContact OD2-NE 3.94Å; D196-R200 PolarHBondContact OD2-NE 3.47Å; D196-R200 IonicContact OD2-NH2 3.26Å; Y197-R200 PolarHBondContact O-N 2.87Å; R200-L203 WeakPolarHBondContact O-CB 3.4Å; R200-L203 PolarHBondContact O-N 2.93Å; R200-H204 PolarHBondContact O-N 3.35Å; R200-H204 VanDerWaalsContact O-N 3.1Å; R200-H204 PolarHBondContact O-ND1 2.91Å
201D95Very high85.2Confident1 Ų129 Ų291%0.00520%0.197CC..Hα-helixtrans-68.5-37.3179.8-66.9-17.1000111.2L38 H50 Y197 L203 H204 A205 L264 Y269L38-D201 HydrophobicContact CD1-CB 4.34Å; L38-D201 WeakPolarHBondContact CD2-OD2 3.44Å; H50-D201 IonicContact CD2-OD1 3.33Å; H50-D201 IonicContact CE1-OD1 3.97Å; H50-D201 PolarHBondContact CE1-OD1 2.93Å; H50-D201 IonicContact NE2-OD1 2.79Å; H50-D201 PolarHBondContact NE2-OD1 3.22Å; Y197-D201 WeakPolarHBondContact CD2-OD2 3.39Å; Y197-D201 WeakPolarHBondContact O-CA 3.39Å; Y197-D201 WeakPolarHBondContact O-CB 3.5Å; Y197-D201 PolarHBondContact O-N 3.11Å; D201-L203 VanDerWaalsContact C-N 3.35Å; D201-L203 PolarHBondContact O-N 3.22Å; D201-H204 PolarHBondContact O-N 3.13Å; D201-A205 WeakPolarHBondContact O-CB 3.37Å; D201-A205 PolarHBondContact O-N 3Å; D201-L264 HydrophobicContact CB-CD1 4.41Å; D201-L264 HydrophobicContact CB-CD2 4.45Å; D201-Y269 HydrophobicContact CB-CE1 4.42Å; D201-Y269 WeakPolarHBondContact OD2-CE1 3.35Å; D201-Y269 PolarHBondContact OD2-OH 3.19Å
202C92Very high83.2Confident6 Ų633.4 Ų33.44%0.04122%0.224CC..Hα-helixtrans-61.2-44.2174.3-750000112.2L198 L199 G206 L207L198-C202 WeakPolarHBondContact O-CB 3.5Å; L198-C202 PolarHBondContact O-N 3.03Å; L198-C202 PolarHBondContact O-SG 3.31Å; L199-C202 PolarHBondContact O-N 3.26Å; C202-G206 PolarHBondContact O-N 3.4Å; C202-L207 HydrophobicContact CB-CB 4.43Å; C202-L207 PolarHBondContact O-N 3.29Å; C202-L207 VanDerWaalsContact O-N 3.08Å
203L92.6Very high81.6Confident78 Ų7835.8 Ų35.841%0.40824%0.241SC..Hα-helixtrans-57.5-52.4176.6177.464.7000110.7A9 V10 L199 R200 D201 G206A9-L203 HydrophobicContact CB-CD2 3.82Å; V10-L203 HydrophobicContact CG2-CD2 3.89Å; L199-L203 PolarHBondContact O-N 3.49Å; L199-L203 VanDerWaalsContact O-N 3.13Å; R200-L203 WeakPolarHBondContact O-CB 3.4Å; R200-L203 PolarHBondContact O-N 2.93Å; D201-L203 VanDerWaalsContact C-N 3.35Å; D201-L203 PolarHBondContact O-N 3.22Å; L203-G206 PolarHBondContact O-N 3.41Å
204H93.8Very high80.7Confident40 Ų4034.5 Ų34.519%0.18524%0.235CC..Hα-helixtrans-76.5-28.1-175.1-68.188.6000113.8S47 H50 R200 D201 G206S47-H204 CarbonylContact C-O 3.57Å; S47-H204 WeakPolarHBondContact CB-O 3.27Å; S47-H204 PolarHBondContact O-CD2 3.37Å; H50-H204 AromaticContact CE1-CG 3.89Å; H50-H204 AromaticContact CG-CD2 3.98Å; H50-H204 AromaticContact CG-CE1 3.99Å; H50-H204 AromaticContact CG-CG 3.71Å; H50-H204 AromaticContact CG-ND1 3.72Å; H50-H204 VanDerWaalsContact ND1-CB 3.34Å; H50-H204 WeakPolarHBondContact ND1-CB 3.48Å; H50-H204 AromaticContact ND1-CD2 3.76Å; H50-H204 AromaticContact ND1-CG 3.31Å; H50-H204 VanDerWaalsContact ND1-CG 3.31Å; H50-H204 AromaticContact ND1-ND1 3.73Å; R200-H204 PolarHBondContact O-N 3.35Å; R200-H204 VanDerWaalsContact O-N 3.1Å; R200-H204 PolarHBondContact O-ND1 2.91Å; D201-H204 PolarHBondContact O-N 3.13Å; H204-G206 PolarHBondContact O-N 2.94Å
205A91.5Very high80.3Confident15 Ų1537.9 Ų37.912%0.12425%0.253CS..THydrogen-bonded Turntrans-76.1-2.7174.500000113.3C48 D201 L207 V268C48-A205 VanDerWaalsContact SG-CA 3.56Å; D201-A205 WeakPolarHBondContact O-CB 3.37Å; D201-A205 PolarHBondContact O-N 3Å; A205-L207 VanDerWaalsContact C-N 3.25Å; A205-L207 HydrophobicContact CB-CD1 4.48Å; A205-L207 HydrophobicContact CB-CG 4.25Å; A205-L207 PolarHBondContact O-N 3.03Å; A205-V268 HydrophobicContact CB-CG1 4.38Å; A205-V268 HydrophobicContact CB-CG2 3.9Å
206G87.8Confident80.1Confident64 Ų6438.1 Ų38.166%0.6625%0.254SS*.THydrogen-bonded Turntrans70.921.1-179.600000113.3C202 L203 H204 G208C202-G206 PolarHBondContact O-N 3.4Å; L203-G206 PolarHBondContact O-N 3.41Å; H204-G206 PolarHBondContact O-N 2.94Å; G206-G208 PolarHBondContact O-N 2.97Å
207L80.4Confident79.7Confident48 Ų4842.3 Ų42.325%0.25128%0.277SS..  trans-75.62.6170.3-60.1178.2000111.8C202 A205 S210 G211 L264C202-L207 HydrophobicContact CB-CB 4.43Å; C202-L207 PolarHBondContact O-N 3.29Å; C202-L207 VanDerWaalsContact O-N 3.08Å; A205-L207 VanDerWaalsContact C-N 3.25Å; A205-L207 HydrophobicContact CB-CD1 4.48Å; A205-L207 HydrophobicContact CB-CG 4.25Å; A205-L207 PolarHBondContact O-N 3.03Å; L207-S210 CarbonylContact O-C 3.49Å; L207-S210 PolarHBondContact O-OG 3.46Å; L207-G211 PolarHBondContact O-N 2.88Å; L207-L264 HydrophobicContact CD1-CD2 3.59Å
208G62.2Low79.4Confident31 Ų3146.1 Ų46.132%0.3229%0.291SS..  trans71.1-178.5172.200000112.5G206 S210 G211G206-G208 PolarHBondContact O-N 2.97Å; G208-S210 PolarHBondContact O-N 3.27Å; G208-G211 PolarHBondContact O-N 3.16Å
209A51.6Low79Confident81 Ų8146 Ų4667%0.66929%0.291SS*.G310 helixtrans-52.7-30156.800000109.2G211 T212A209-G211 CarbonylContact O-C 3.59Å; A209-G211 PolarHBondContact O-N 3Å; A209-T212 HydrophobicContact CB-CG2 4.23Å; A209-T212 VanDerWaalsContact O-CA 3.31Å; A209-T212 WeakPolarHBondContact O-CA 3.47Å; A209-T212 WeakPolarHBondContact O-CB 3.49Å; A209-T212 WeakPolarHBondContact O-CG2 3.48Å; A209-T212 PolarHBondContact O-N 3.49Å; A209-T212 PolarHBondContact O-OG1 3.33Å
210S44.2Very low78.9Confident99 Ų9943.7 Ų43.769%0.69228%0.278SS*.G310 helixtrans-56.1-6.4176.337.40000118.2L207 G208 T212L207-S210 CarbonylContact O-C 3.49Å; L207-S210 PolarHBondContact O-OG 3.46Å; G208-S210 PolarHBondContact O-N 3.27Å; S210-T212 PolarHBondContact O-N 3.19Å
211G50.9Low78.7Confident12 Ų1252.1 Ų52.112%0.12431%0.31CS..G310 helixtrans-62.6-12.1155.400000113.7L207 G208 A209 S213L207-G211 PolarHBondContact O-N 2.88Å; G208-G211 PolarHBondContact O-N 3.16Å; A209-G211 CarbonylContact O-C 3.59Å; A209-G211 PolarHBondContact O-N 3Å; G211-S213 PolarHBondContact O-N 3.03Å
212T52.2Low78.5Confident99 Ų9954.1 Ų54.161%0.60732%0.319SS*.THydrogen-bonded Turntrans-64.923.6178.7560000114.1A209 S210 V214A209-T212 HydrophobicContact CB-CG2 4.23Å; A209-T212 VanDerWaalsContact O-CA 3.31Å; A209-T212 WeakPolarHBondContact O-CA 3.47Å; A209-T212 WeakPolarHBondContact O-CB 3.49Å; A209-T212 WeakPolarHBondContact O-CG2 3.48Å; A209-T212 PolarHBondContact O-N 3.49Å; A209-T212 PolarHBondContact O-OG1 3.33Å; S210-T212 PolarHBondContact O-N 3.19Å; T212-V214 PolarHBondContact O-N 3.37Å
213S63.7Low78.6Confident51 Ų5153.9 Ų53.936%0.35732%0.317SS..THydrogen-bonded Turntrans-65.5-22.5161.673.20000110.5G211 R256G211-S213 PolarHBondContact O-N 3.03Å; S213-R256 WeakPolarHBondContact O-CD 3.35Å; S213-R256 PolarHBondContact O-NH1 3.36Å
214V78.8Confident78.7Confident9 Ų951.3 Ų51.36%0.05530%0.302CS..  trans-100.8126.2179.1-172.20000110.8T212 I216 F219 N253 R256 T257 L260T212-V214 PolarHBondContact O-N 3.37Å; V214-I216 HydrophobicContact CG1-CD1 3.39Å; V214-I216 HydrophobicContact CG1-CG1 3.94Å; V214-F219 HydrophobicContact CG1-CE2 3.96Å; V214-N253 WeakPolarHBondContact CA-OD1 3.46Å; V214-R256 HydrophobicContact CG2-CB 3.98Å; V214-T257 WeakPolarHBondContact CG1-OG1 3.31Å; V214-L260 HydrophobicContact CG2-CB 4.26Å; V214-L260 HydrophobicContact CG2-CD2 3.98Å
215D85.6Confident78.8Confident80 Ų8049.5 Ų49.543%0.42829%0.293SS..  trans-107.586.7175.1-173.9-15.1000108.9D217 R218 F219 N253D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 PolarHBondContact OD1-N 2.79Å; D215-R218 HydrophobicContact CB-CB 3.95Å; D215-R218 PolarHBondContact O-N 3.22Å; D215-R218 VanDerWaalsContact OD1-CB 3.31Å; D215-R218 WeakPolarHBondContact OD1-CB 3.39Å; D215-R218 PolarHBondContact OD1-N 2.8Å; D215-R218 WeakPolarHBondContact OD2-CB 3.24Å; D215-F219 PolarHBondContact O-N 3.25Å; D215-N253 PolarHBondContact N-OD1 3.02Å; D215-N253 PolarHBondContact O-ND2 2.96Å
216I88.6Confident79Confident6 Ų650.3 Ų50.33%0.03129%0.294CS..Hα-helixtrans-66.3-37-178.8-60.9-60.6000111.3M62 W195 L199 V214 R218 F219 L220M62-I216 HydrophobicContact CE-CG2 3.4Å; M62-I216 VanDerWaalsContact CE-CG2 3.4Å; W195-I216 HydrophobicContact CB-CD1 4.16Å; W195-I216 HydrophobicContact CB-CG1 4.32Å; W195-I216 HydrophobicContact CB-CG2 3.81Å; W195-I216 HydrophobicContact CD2-CG2 4.09Å; W195-I216 HydrophobicContact CE3-CG2 4.25Å; W195-I216 HydrophobicContact CG-CD1 3.84Å; W195-I216 HydrophobicContact CG-CG1 4.48Å; W195-I216 HydrophobicContact CG-CG2 3.92Å; L199-I216 HydrophobicContact CD1-CB 4.29Å; L199-I216 HydrophobicContact CD1-CG1 4.05Å; L199-I216 HydrophobicContact CD2-CG1 4.24Å; L199-I216 HydrophobicContact CG-CG1 4.23Å; V214-I216 HydrophobicContact CG1-CD1 3.39Å; V214-I216 HydrophobicContact CG1-CG1 3.94Å; I216-R218 PolarHBondContact O-N 3.48Å; I216-F219 HydrophobicContact CD1-CD2 3.68Å; I216-F219 HydrophobicContact CD1-CE2 3.75Å; I216-F219 WeakPolarHBondContact O-CA 3.42Å; I216-F219 WeakPolarHBondContact O-CB 3.34Å; I216-F219 PolarHBondContact O-N 2.92Å; I216-L220 HydrophobicContact CG2-CD1 4.39Å; I216-L220 HydrophobicContact CG2-CG 4.33Å; I216-L220 WeakPolarHBondContact O-CG 3.4Å; I216-L220 PolarHBondContact O-N 3.36Å
217D87.8Confident79.3Confident88 Ų8850.3 Ų50.347%0.47128%0.279SS..Hα-helixtrans-62-35.8179.4-80.2-6.3000111.8K65 D215 L220 R221K65-D217 IonicContact NZ-OD1 3.93Å; K65-D217 PolarHBondContact NZ-OD1 3.32Å; K65-D217 IonicContact NZ-OD2 2.76Å; K65-D217 PolarHBondContact NZ-OD2 3.11Å; D215-D217 VanDerWaalsContact C-N 3.32Å; D215-D217 PolarHBondContact OD1-N 2.79Å; D217-L220 PolarHBondContact O-N 3.45Å; D217-R221 PolarHBondContact O-N 2.81Å
218R88.4Confident79.9Confident106 Ų10648.2 Ų48.240%0.427%0.268SS..Hα-helixtrans-66-40.1170.9-177.4-175.6171.692.310.6112.9D215 I216 R221 F222 E250D215-R218 HydrophobicContact CB-CB 3.95Å; D215-R218 PolarHBondContact O-N 3.22Å; D215-R218 VanDerWaalsContact OD1-CB 3.31Å; D215-R218 WeakPolarHBondContact OD1-CB 3.39Å; D215-R218 PolarHBondContact OD1-N 2.8Å; D215-R218 WeakPolarHBondContact OD2-CB 3.24Å; I216-R218 PolarHBondContact O-N 3.48Å; R218-R221 PolarHBondContact O-N 3.09Å; R218-F222 HydrophobicContact CG-CE2 4.39Å; R218-F222 WeakPolarHBondContact O-CD2 3.42Å; R218-E250 VanDerWaalsContact CD-OE2 3.31Å; R218-E250 WeakPolarHBondContact CD-OE2 3.43Å; R218-E250 WeakPolarHBondContact CG-OE2 3.48Å; R218-E250 IonicContact CZ-OE1 3.16Å; R218-E250 VanDerWaalsContact NE-CD 3.28Å; R218-E250 IonicContact NE-OE1 3.12Å; R218-E250 PolarHBondContact NE-OE1 2.99Å; R218-E250 IonicContact NE-OE2 3.14Å; R218-E250 PolarHBondContact NE-OE2 3.04Å; R218-E250 IonicContact NH2-OE1 3.63Å; R218-E250 PolarHBondContact NH2-OE1 3.48Å
219F84.5Confident80.9Confident1 Ų149.3 Ų49.30%0.00427%0.268CS..Hα-helixtrans-56.7-54.4172.6-72.1-45.3000110.4M190 V214 D215 I216 R221 F222 Y223 F246 E250 N253 L254 T257M190-F219 HydrophobicContact CE-CE2 4.02Å; M190-F219 HydrophobicContact CE-CZ 4.28Å; V214-F219 HydrophobicContact CG1-CE2 3.96Å; D215-F219 PolarHBondContact O-N 3.25Å; I216-F219 HydrophobicContact CD1-CD2 3.68Å; I216-F219 HydrophobicContact CD1-CE2 3.75Å; I216-F219 WeakPolarHBondContact O-CA 3.42Å; I216-F219 WeakPolarHBondContact O-CB 3.34Å; I216-F219 PolarHBondContact O-N 2.92Å; F219-R221 PolarHBondContact O-N 3.36Å; F219-R221 VanDerWaalsContact O-N 3.15Å; F219-F222 CarbonylContact O-C 3.57Å; F219-F222 PolarHBondContact O-N 2.65Å; F219-Y223 VanDerWaalsContact O-CB 3.23Å; F219-Y223 WeakPolarHBondContact O-CB 3.41Å; F219-Y223 PolarHBondContact O-N 3.18Å; F219-F246 AromaticContact CD1-CD1 3.87Å; F219-F246 HydrophobicContact CD1-CD1 3.87Å; F219-F246 AromaticContact CD1-CE1 3.95Å; F219-F246 HydrophobicContact CD1-CE1 3.95Å; F219-F246 HydrophobicContact CE1-CD1 4.12Å; F219-F246 HydrophobicContact CE1-CE1 4.14Å; F219-F246 HydrophobicContact CG-CE1 4.3Å; F219-E250 HydrophobicContact CD1-CB 4.08Å; F219-E250 HydrophobicContact CD1-CG 4.46Å; F219-E250 HydrophobicContact CE1-CB 4.07Å; F219-N253 HydrophobicContact CD1-CB 4.4Å; F219-N253 WeakPolarHBondContact CD1-ND2 3.47Å; F219-N253 HydrophobicContact CE1-CB 3.54Å; F219-N253 VanDerWaalsContact CE1-ND2 3.3Å; F219-N253 WeakPolarHBondContact CE1-ND2 3.33Å; F219-N253 HydrophobicContact CZ-CB 3.72Å; F219-N253 WeakPolarHBondContact CZ-ND2 3.47Å; F219-N253 WeakPolarHBondContact CZ-O 3.48Å; F219-L254 HydrophobicContact CE1-CB 4.31Å; F219-L254 HydrophobicContact CZ-CB 4.35Å; F219-L254 VanDerWaalsContact CZ-N 3.29Å; F219-T257 VanDerWaalsContact CE2-OG1 3.31Å; F219-T257 WeakPolarHBondContact CE2-OG1 3.5Å; F219-T257 WeakPolarHBondContact CZ-OG1 3.45Å
220L90.7Very high81.7Confident1 Ų147.1 Ų47.11%0.00525%0.245CC..Hα-helixtrans-54.2-40.1-174.4-70.5179.9000111.5M62 K65 L66 T69 W195 I216 D217 F222 Y223M62-L220 HydrophobicContact CE-CD1 3.74Å; M62-L220 HydrophobicContact SD-CD1 4.32Å; K65-L220 HydrophobicContact CB-CD1 4.4Å; K65-L220 HydrophobicContact CD-CD1 3.63Å; K65-L220 HydrophobicContact CG-CD1 3.95Å; L66-L220 HydrophobicContact CB-CD2 3.92Å; L66-L220 HydrophobicContact CD1-CD2 3.91Å; L66-L220 HydrophobicContact CG-CD2 4.37Å; T69-L220 WeakPolarHBondContact CG2-O 3.48Å; W195-L220 HydrophobicContact CE3-CD2 3.83Å; W195-L220 HydrophobicContact CH2-CD2 4.18Å; W195-L220 HydrophobicContact CZ3-CD2 3.33Å; W195-L220 HydrophobicContact CZ3-CG 4.41Å; I216-L220 HydrophobicContact CG2-CD1 4.39Å; I216-L220 HydrophobicContact CG2-CG 4.33Å; I216-L220 WeakPolarHBondContact O-CG 3.4Å; I216-L220 PolarHBondContact O-N 3.36Å; D217-L220 PolarHBondContact O-N 3.45Å; L220-F222 PolarHBondContact O-N 3.18Å; L220-F222 VanDerWaalsContact O-N 3.14Å; L220-Y223 PolarHBondContact O-N 2.64Å
221R90.3Very high82.4Confident179 Ų17949.6 Ų49.668%0.67524%0.244SC*.Hα-helixtrans-56.5-29.2178.4-173.2169.7-177.2170.32.6114.7D217 R218 F219D217-R221 PolarHBondContact O-N 2.81Å; R218-R221 PolarHBondContact O-N 3.09Å; F219-R221 PolarHBondContact O-N 3.36Å; F219-R221 VanDerWaalsContact O-N 3.15Å
222F90.1Very high82.5Confident42 Ų4253.2 Ų53.218%0.18426%0.26CS..Hα-helixtrans-120-8.8-175.5-58.1-63.2000113.4R218 F219 L220 R224 R247 Y484R218-F222 HydrophobicContact CG-CE2 4.39Å; R218-F222 WeakPolarHBondContact O-CD2 3.42Å; F219-F222 CarbonylContact O-C 3.57Å; F219-F222 PolarHBondContact O-N 2.65Å; L220-F222 PolarHBondContact O-N 3.18Å; L220-F222 VanDerWaalsContact O-N 3.14Å; F222-R224 PolarHBondContact O-N 3.23Å; F222-R247 HydrophobicContact CB-CB 3.95Å; F222-R247 HydrophobicContact CG-CB 4.41Å; F222-Y484 WeakPolarHBondContact O-CE1 3.21Å; F222-Y484 PolarHBondContact O-OH 2.99Å
223Y94.4Very high82.3Confident2 Ų254.6 Ų54.61%0.00826%0.258CS..  trans-79.7113.2-175.6-166.4-125.9000110.8L66 W195 F219 L220 L244 S245 F246L66-Y223 HydrophobicContact CD1-CD1 3.93Å; L66-Y223 HydrophobicContact CD2-CD1 4.23Å; W195-Y223 AromaticContact CH2-CD1 3.62Å; W195-Y223 HydrophobicContact CH2-CD1 3.62Å; W195-Y223 AromaticContact CH2-CE1 3.66Å; W195-Y223 HydrophobicContact CH2-CE1 3.66Å; W195-Y223 HydrophobicContact CH2-CG 4.48Å; W195-Y223 HydrophobicContact CZ2-CD1 4.43Å; W195-Y223 HydrophobicContact CZ2-CE1 4.24Å; F219-Y223 VanDerWaalsContact O-CB 3.23Å; F219-Y223 WeakPolarHBondContact O-CB 3.41Å; F219-Y223 PolarHBondContact O-N 3.18Å; L220-Y223 PolarHBondContact O-N 2.64Å; Y223-L244 HydrophobicContact CD1-CB 4.31Å; Y223-L244 HydrophobicContact CD1-CD1 4.3Å; Y223-L244 HydrophobicContact CD2-CB 4.48Å; Y223-L244 HydrophobicContact CE1-CB 3.6Å; Y223-L244 HydrophobicContact CE1-CD1 3.55Å; Y223-L244 HydrophobicContact CE1-CD2 4.47Å; Y223-L244 HydrophobicContact CE1-CG 4.07Å; Y223-L244 HydrophobicContact CE2-CB 3.75Å; Y223-L244 WeakPolarHBondContact CE2-O 3.46Å; Y223-L244 VanDerWaalsContact OH-CB 3.24Å; Y223-L244 WeakPolarHBondContact OH-CB 3.17Å; Y223-S245 WeakPolarHBondContact CD2-O 3.49Å; Y223-F246 AromaticContact CD2-CD1 3.69Å; Y223-F246 HydrophobicContact CD2-CD1 3.69Å; Y223-F246 HydrophobicContact CD2-CD2 4.26Å; Y223-F246 AromaticContact CD2-CE1 3.71Å; Y223-F246 HydrophobicContact CD2-CE1 3.71Å; Y223-F246 HydrophobicContact CD2-CE2 4.27Å; Y223-F246 AromaticContact CD2-CG 3.96Å; Y223-F246 HydrophobicContact CD2-CG 3.96Å; Y223-F246 AromaticContact CD2-CZ 3.99Å; Y223-F246 HydrophobicContact CD2-CZ 3.99Å; Y223-F246 AromaticContact CE2-CD1 3.91Å; Y223-F246 HydrophobicContact CE2-CD1 3.91Å; Y223-F246 AromaticContact CE2-CD2 3.75Å; Y223-F246 HydrophobicContact CE2-CD2 3.75Å; Y223-F246 AromaticContact CE2-CE1 3.67Å; Y223-F246 HydrophobicContact CE2-CE1 3.67Å; Y223-F246 AromaticContact CE2-CE2 3.49Å; Y223-F246 HydrophobicContact CE2-CE2 3.49Å; Y223-F246 VanDerWaalsContact CE2-CE2 3.49Å; Y223-F246 AromaticContact CE2-CG 3.94Å; Y223-F246 HydrophobicContact CE2-CG 3.94Å; Y223-F246 AromaticContact CE2-CZ 3.43Å; Y223-F246 HydrophobicContact CE2-CZ 3.43Å; Y223-F246 VanDerWaalsContact CE2-CZ 3.43Å; Y223-F246 HydrophobicContact CG-CE1 4.43Å; Y223-F246 AromaticContact CZ-CZ 3.83Å
224R94.8Very high81.4Confident24 Ų2456.3 Ų56.39%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-158.5160.7-172.564.1-164173134.612.8112.3I70 D73 N75 F222 F226 S245 Y484I70-R224 HydrophobicContact CG1-CB 4.19Å; D73-R224 IonicContact OD1-NH1 3.6Å; D73-R224 WeakPolarHBondContact OD2-CD 3.37Å; D73-R224 IonicContact OD2-CZ 3.02Å; D73-R224 VanDerWaalsContact OD2-CZ 3.29Å; D73-R224 IonicContact OD2-NE 3.32Å; D73-R224 PolarHBondContact OD2-NE 2.89Å; D73-R224 IonicContact OD2-NH1 2.83Å; D73-R224 PolarHBondContact OD2-NH1 3.29Å; N75-R224 PolarHBondContact O-NH1 3.33Å; F222-R224 PolarHBondContact O-N 3.23Å; R224-F226 HydrophobicContact CG-CD2 4.16Å; R224-F226 HydrophobicContact CG-CE2 3.89Å; R224-F226 PolarHBondContact O-N 3.39Å; R224-S245 PolarHBondContact N-O 3.48Å; R224-S245 PolarHBondContact O-N 3.49Å; R224-Y484 HydrophobicContact CG-CE1 4.32Å; R224-Y484 PolarHBondContact NE-OH 3.4Å; R224-Y484 VanDerWaalsContact NE-OH 3.14Å
225P96Very high79.8Confident1 Ų161.9 Ų61.91%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-66.9135-179.3-17.129.3000112.7Y76 F178 W242 H243 L244Y76-P225 HydrophobicContact CE2-CB 3.76Å; Y76-P225 HydrophobicContact CE2-CG 3.79Å; Y76-P225 WeakPolarHBondContact CE2-O 3.35Å; Y76-P225 WeakPolarHBondContact OH-CG 3.3Å; F178-P225 HydrophobicContact CD1-CB 3.95Å; F178-P225 HydrophobicContact CD1-CG 4.05Å; F178-P225 HydrophobicContact CD2-CB 4.18Å; F178-P225 HydrophobicContact CD2-CG 3.47Å; F178-P225 VanDerWaalsContact CD2-CG 3.47Å; F178-P225 HydrophobicContact CE1-CB 4.11Å; F178-P225 HydrophobicContact CE1-CG 3.98Å; F178-P225 HydrophobicContact CE2-CB 4.35Å; F178-P225 HydrophobicContact CE2-CG 3.41Å; F178-P225 VanDerWaalsContact CE2-CG 3.41Å; F178-P225 HydrophobicContact CG-CB 3.98Å; F178-P225 HydrophobicContact CG-CG 3.8Å; F178-P225 HydrophobicContact CZ-CB 4.31Å; F178-P225 HydrophobicContact CZ-CG 3.67Å; P225-W242 HydrophobicContact CB-CE3 3.98Å; P225-H243 CarbonylContact C-O 3.47Å; P225-H243 VanDerWaalsContact CA-O 3.28Å; P225-H243 WeakPolarHBondContact CA-O 3.35Å; P225-L244 HydrophobicContact CG-CD2 3.79Å
226F95.3Very high78Confident32 Ų3267.8 Ų67.814%0.1434%0.338CS..EExtended strand (participates in β ladder)trans-127.4152.5167.1-93.3-102.1000110R224 H228 W242 H243 Y484 T490R224-F226 HydrophobicContact CG-CD2 4.16Å; R224-F226 HydrophobicContact CG-CE2 3.89Å; R224-F226 PolarHBondContact O-N 3.39Å; F226-H228 PolarHBondContact O-CD2 2.89Å; F226-W242 VanDerWaalsContact C-CE3 3.4Å; F226-W242 WeakPolarHBondContact O-CA 3.29Å; F226-H243 PolarHBondContact N-O 3.4Å; F226-H243 PolarHBondContact O-N 3.12Å; F226-Y484 HydrophobicContact CD1-CG 4.28Å; F226-Y484 AromaticContact CD2-CD1 3.53Å; F226-Y484 HydrophobicContact CD2-CD1 3.53Å; F226-Y484 HydrophobicContact CD2-CD2 4.33Å; F226-Y484 HydrophobicContact CD2-CE1 4.08Å; F226-Y484 AromaticContact CD2-CG 3.66Å; F226-Y484 HydrophobicContact CD2-CG 3.66Å; F226-Y484 HydrophobicContact CE1-CD2 4.08Å; F226-Y484 AromaticContact CE1-CG 4Å; F226-Y484 HydrophobicContact CE1-CG 4Å; F226-Y484 AromaticContact CE2-CD1 3.42Å; F226-Y484 HydrophobicContact CE2-CD1 3.42Å; F226-Y484 VanDerWaalsContact CE2-CD1 3.42Å; F226-Y484 AromaticContact CE2-CD2 3.53Å; F226-Y484 HydrophobicContact CE2-CD2 3.53Å; F226-Y484 AromaticContact CE2-CE1 3.7Å; F226-Y484 HydrophobicContact CE2-CE1 3.7Å; F226-Y484 AromaticContact CE2-CE2 3.83Å; F226-Y484 HydrophobicContact CE2-CE2 3.83Å; F226-Y484 AromaticContact CE2-CG 3.32Å; F226-Y484 HydrophobicContact CE2-CG 3.32Å; F226-Y484 AromaticContact CE2-CZ 3.89Å; F226-Y484 HydrophobicContact CG-CD1 4.29Å; F226-Y484 HydrophobicContact CG-CG 4.13Å; F226-Y484 HydrophobicContact CZ-CD1 4.12Å; F226-Y484 AromaticContact CZ-CD2 3.39Å; F226-Y484 HydrophobicContact CZ-CD2 3.39Å; F226-Y484 AromaticContact CZ-CE2 3.9Å; F226-Y484 HydrophobicContact CZ-CE2 3.9Å; F226-Y484 AromaticContact CZ-CG 3.51Å; F226-Y484 HydrophobicContact CZ-CG 3.51Å; F226-T490 HydrophobicContact CB-CG2 3.93Å; F226-T490 HydrophobicContact CD1-CG2 3.69Å; F226-T490 HydrophobicContact CG-CG2 4.19Å
227L94.1Very high76.1Confident64 Ų6474 Ų7434%0.33537%0.371SS..EExtended strand (participates in β ladder)trans-81.8116.8175.3-169.466.2000109.6K240 W242L227-K240 HydrophobicContact CD1-CB 3.66Å; L227-K240 HydrophobicContact CD2-CB 4.11Å; L227-K240 HydrophobicContact CD2-CD 3.72Å; L227-K240 HydrophobicContact CD2-CG 4.49Å; L227-K240 HydrophobicContact CG-CB 3.87Å; L227-K240 HydrophobicContact CG-CD 4.2Å; L227-W242 HydrophobicContact CB-CD2 4.24Å; L227-W242 HydrophobicContact CB-CE3 4.32Å; L227-W242 HydrophobicContact CB-CH2 4.15Å; L227-W242 HydrophobicContact CB-CZ2 4.07Å; L227-W242 HydrophobicContact CB-CZ3 4.29Å; L227-W242 HydrophobicContact CD1-CD2 4.14Å; L227-W242 HydrophobicContact CD1-CG 4.13Å; L227-W242 HydrophobicContact CD1-CZ2 4.39Å
228H92.8Very high74.7Confident5 Ų576 Ų762%0.02338%0.377CS..EExtended strand (participates in β ladder)trans-110146.5174.1-70.3-107.9000110.2F226 K240 C241 S245 Y482 F483 T490F226-H228 PolarHBondContact O-CD2 2.89Å; H228-K240 CarbonylContact O-C 3.55Å; H228-K240 VanDerWaalsContact O-CA 3.29Å; H228-K240 WeakPolarHBondContact O-CA 3.23Å; H228-C241 PolarHBondContact N-O 3.04Å; H228-C241 PolarHBondContact O-N 3.22Å; H228-S245 PolarHBondContact NE2-OG 2.97Å; H228-Y482 HydrophobicContact CB-CD1 4.13Å; H228-Y482 HydrophobicContact CB-CE1 4.32Å; H228-Y482 AromaticContact CD2-CD1 3.81Å; H228-Y482 AromaticContact CE1-CD1 3.76Å; H228-Y482 AromaticContact CG-CD1 3.61Å; H228-Y482 AromaticContact ND1-CD1 3.6Å; H228-Y482 AromaticContact NE2-CD1 3.92Å; H228-F483 PolarHBondContact CE1-O 3.36Å; H228-F483 VanDerWaalsContact CE1-O 3.27Å; H228-T490 VanDerWaalsContact CE1-CB 3.49Å; H228-T490 WeakPolarHBondContact CE1-CB 3.3Å
229T84.5Confident74Confident53 Ų5373 Ų7333%0.32537%0.373SS..EExtended strand (participates in β ladder)trans-83.6114.8166.8-620000108.2E238T229-E238 HydrophobicContact CG2-CB 3.66Å; T229-E238 HydrophobicContact CG2-CG 3.7Å
230D68.3Low74.1Confident36 Ų3679.1 Ų79.119%0.19340%0.399CS..EExtended strand (participates in β ladder)trans-91117.3173.7-162.9-7.7000109.2D232 S239 R480D230-D232 VanDerWaalsContact C-N 3.31Å; D230-D232 WeakPolarHBondContact OD1-CB 3.45Å; D230-D232 PolarHBondContact OD1-N 3.05Å; D230-D232 VanDerWaalsContact OD1-N 3.1Å; D230-S239 PolarHBondContact N-O 3.26Å; D230-R480 IonicContact OD1-NH1 2.65Å
231K58.5Low74.1Confident151 Ų15180.4 Ų80.466%0.65741%0.408SS*.  trans-85.7-4.7178.3-67.6-175.5177.7-178.30112.6K233K231-K233 VanDerWaalsContact C-N 3.33Å; K231-K233 PolarHBondContact O-N 3.06Å
232D52.7Low74.3Confident87 Ų8774.2 Ų74.247%0.46539%0.385SS..  trans-77.9-14.3-170.9-76.3-4.4000114.5D230 G234 R480D230-D232 VanDerWaalsContact C-N 3.31Å; D230-D232 WeakPolarHBondContact OD1-CB 3.45Å; D230-D232 PolarHBondContact OD1-N 3.05Å; D230-D232 VanDerWaalsContact OD1-N 3.1Å; D232-G234 PolarHBondContact O-N 3.29Å; D232-R480 IonicContact OD1-NH1 3.64Å; D232-R480 IonicContact OD1-NH2 3.74Å; D232-R480 PolarHBondContact OD1-NH2 3.41Å; D232-R480 IonicContact OD2-CZ 3.07Å; D232-R480 IonicContact OD2-NH1 3.24Å; D232-R480 PolarHBondContact OD2-NH1 3.09Å; D232-R480 IonicContact OD2-NH2 2.95Å; D232-R480 PolarHBondContact OD2-NH2 3.09Å
233K47.8Very low74.6Confident129 Ų12972.7 Ų72.756%0.56138%0.378SS*.SBendtrans-88.4101.1169.3-64.8-170.5-178.6-179.50106.8K231 D235K231-K233 VanDerWaalsContact C-N 3.33Å; K231-K233 PolarHBondContact O-N 3.06Å; K233-D235 PolarHBondContact O-N 2.99Å
234G44.3Very low74.6Confident86 Ų8672.6 Ų72.689%0.88738%0.378SS*.  trans-61.629.8179.800000116.1D232D232-G234 PolarHBondContact O-N 3.29Å
235D45.2Very low74.7Confident126 Ų12671.5 Ų71.567%0.67437%0.374SS*.SBendtrans-86.3140.7162.8-75.3-36.5000108.5K233 N237K233-D235 PolarHBondContact O-N 2.99Å; D235-N237 PolarHBondContact O-N 3.3Å
236E49.1Very low74.6Confident205 Ų20571.5 Ų71.596%0.95837%0.374SS*.SBendtrans-59.3-2.9176.8-63-179.4159.900113.9
237N48.6Very low74.5Confident137 Ų13772.9 Ų72.973%0.73338%0.378SS*.SBendtrans-100.3107.5173.4-76.1-31.6000111D235 S239D235-N237 PolarHBondContact O-N 3.3Å; N237-S239 PolarHBondContact O-N 3.16Å
238E58.7Low74.4Confident128 Ų12870.7 Ų70.760%0.59837%0.367SS*.  trans-46.798.7166.8-76-172.1173.100111.6T229 K240T229-E238 HydrophobicContact CG2-CB 3.66Å; T229-E238 HydrophobicContact CG2-CG 3.7Å; E238-K240 PolarHBondContact O-N 3.08Å
239S74Confident74.3Confident44 Ų4474 Ų7431%0.30839%0.388SS..EExtended strand (participates in β ladder)trans-76.5111.5177.6178.90000108.9D230 N237D230-S239 PolarHBondContact N-O 3.26Å; N237-S239 PolarHBondContact O-N 3.16Å
240K86.8Confident74.6Confident129 Ų12971.7 Ų71.756%0.56137%0.373SS*.EExtended strand (participates in β ladder)trans-83.4130.5174.1-62.8-173.6-179.8177.50110.6L227 H228 E238L227-K240 HydrophobicContact CD1-CB 3.66Å; L227-K240 HydrophobicContact CD2-CB 4.11Å; L227-K240 HydrophobicContact CD2-CD 3.72Å; L227-K240 HydrophobicContact CD2-CG 4.49Å; L227-K240 HydrophobicContact CG-CB 3.87Å; L227-K240 HydrophobicContact CG-CD 4.2Å; H228-K240 CarbonylContact O-C 3.55Å; H228-K240 VanDerWaalsContact O-CA 3.29Å; H228-K240 WeakPolarHBondContact O-CA 3.23Å; E238-K240 PolarHBondContact O-N 3.08Å
241C90.4Very high75.5Confident28 Ų2871.7 Ų71.719%0.18937%0.373CS..EExtended strand (participates in β ladder)trans-131.7142.2-178.7-1730000110.9P177 H228 H243P177-C241 WeakPolarHBondContact CG-SG 3.34Å; H228-C241 PolarHBondContact N-O 3.04Å; H228-C241 PolarHBondContact O-N 3.22Å; C241-H243 PolarHBondContact SG-NE2 2.95Å; C241-H243 VanDerWaalsContact SG-NE2 3.43Å
242W94.1Very high76.7Confident50 Ų5068.1 Ų68.119%0.18936%0.358CS..EExtended strand (participates in β ladder)trans-83.4125.6174-70.994.1000109.7Y76 G78 P79 F178 P225 F226 L227Y76-W242 HydrophobicContact CE2-CZ3 4.47Å; G78-W242 VanDerWaalsContact CA-CZ3 3.44Å; P79-W242 VanDerWaalsContact CD-CD2 3.44Å; P79-W242 HydrophobicContact CG-CD2 4.09Å; P79-W242 HydrophobicContact CG-CG 4.02Å; F178-W242 WeakPolarHBondContact CB-O 3.42Å; F178-W242 HydrophobicContact CD1-CB 3.76Å; F178-W242 HydrophobicContact CE1-CB 4.39Å; P225-W242 HydrophobicContact CB-CE3 3.98Å; F226-W242 VanDerWaalsContact C-CE3 3.4Å; F226-W242 WeakPolarHBondContact O-CA 3.29Å; L227-W242 HydrophobicContact CB-CD2 4.24Å; L227-W242 HydrophobicContact CB-CE3 4.32Å; L227-W242 HydrophobicContact CB-CH2 4.15Å; L227-W242 HydrophobicContact CB-CZ2 4.07Å; L227-W242 HydrophobicContact CB-CZ3 4.29Å; L227-W242 HydrophobicContact CD1-CD2 4.14Å; L227-W242 HydrophobicContact CD1-CG 4.13Å; L227-W242 HydrophobicContact CD1-CZ2 4.39Å
243H95.1Very high78.3Confident10 Ų1064.7 Ų64.75%0.04634%0.34CS..EExtended strand (participates in β ladder)trans-130.2142.3178-71.3-74.3000110.7E181 P225 F226 C241 S245 Y482E181-H243 IonicContact OE1-CE1 3.79Å; E181-H243 IonicContact OE1-CG 2.65Å; E181-H243 IonicContact OE1-ND1 3.29Å; E181-H243 PolarHBondContact OE1-ND1 3.26Å; P225-H243 CarbonylContact C-O 3.47Å; P225-H243 VanDerWaalsContact CA-O 3.28Å; P225-H243 WeakPolarHBondContact CA-O 3.35Å; F226-H243 PolarHBondContact N-O 3.4Å; F226-H243 PolarHBondContact O-N 3.12Å; C241-H243 PolarHBondContact SG-NE2 2.95Å; C241-H243 VanDerWaalsContact SG-NE2 3.43Å; H243-S245 PolarHBondContact O-N 3.23Å; H243-S245 PolarHBondContact O-OG 3.2Å; H243-Y482 HydrophobicContact CB-CD1 3.8Å; H243-Y482 HydrophobicContact CB-CD2 3.8Å; H243-Y482 HydrophobicContact CB-CE1 4.15Å; H243-Y482 HydrophobicContact CB-CE2 4.19Å; H243-Y482 HydrophobicContact CB-CG 3.6Å; H243-Y482 AromaticContact CD2-CD1 3.85Å; H243-Y482 AromaticContact CD2-CE1 3.38Å; H243-Y482 WeakPolarHBondContact CD2-CE1 3.27Å; H243-Y482 AromaticContact CD2-CZ 3.64Å; H243-Y482 AromaticContact CE1-CZ 3.7Å; H243-Y482 PolarHBondContact CE1-OH 3.07Å; H243-Y482 AromaticContact CG-CD1 3.84Å; H243-Y482 AromaticContact CG-CD2 3.96Å; H243-Y482 AromaticContact CG-CE1 3.65Å; H243-Y482 AromaticContact CG-CE2 3.81Å; H243-Y482 AromaticContact CG-CG 3.97Å; H243-Y482 AromaticContact CG-CZ 3.63Å; H243-Y482 AromaticContact ND1-CE2 3.71Å; H243-Y482 AromaticContact ND1-CZ 3.68Å; H243-Y482 AromaticContact NE2-CE1 3.8Å; H243-Y482 AromaticContact NE2-CZ 3.69Å
244L96.1Very high80.3Confident0 Ų058.6 Ų58.60%031%0.313CS..EExtended strand (participates in β ladder)trans-63.6120170.3-69175.2000109.1L66 I70 F178 E181 I182 Y223 P225L66-L244 HydrophobicContact CD2-CD1 4.49Å; I70-L244 HydrophobicContact CD1-CD2 4.01Å; F178-L244 HydrophobicContact CB-CG 4.26Å; F178-L244 HydrophobicContact CD2-CD2 4.13Å; F178-L244 HydrophobicContact CD2-CG 4.37Å; E181-L244 HydrophobicContact CB-CB 4.4Å; E181-L244 HydrophobicContact CB-CD1 3.7Å; E181-L244 HydrophobicContact CB-CG 4.15Å; E181-L244 WeakPolarHBondContact OE2-CB 3.35Å; E181-L244 PolarHBondContact OE2-N 3.34Å; I182-L244 HydrophobicContact CG1-CD1 3.71Å; Y223-L244 HydrophobicContact CD1-CB 4.31Å; Y223-L244 HydrophobicContact CD1-CD1 4.3Å; Y223-L244 HydrophobicContact CD2-CB 4.48Å; Y223-L244 HydrophobicContact CE1-CB 3.6Å; Y223-L244 HydrophobicContact CE1-CD1 3.55Å; Y223-L244 HydrophobicContact CE1-CD2 4.47Å; Y223-L244 HydrophobicContact CE1-CG 4.07Å; Y223-L244 HydrophobicContact CE2-CB 3.75Å; Y223-L244 WeakPolarHBondContact CE2-O 3.46Å; Y223-L244 VanDerWaalsContact OH-CB 3.24Å; Y223-L244 WeakPolarHBondContact OH-CB 3.17Å; P225-L244 HydrophobicContact CG-CD2 3.79Å
245S95.7Very high82.2Confident0 Ų055.6 Ų55.60%028%0.277CS..EExtended strand (participates in β ladder)trans-120.1136.7-169.2-60.70000111.3Y223 R224 H228 H243 Y482 Y484Y223-S245 WeakPolarHBondContact CD2-O 3.49Å; R224-S245 PolarHBondContact N-O 3.48Å; R224-S245 PolarHBondContact O-N 3.49Å; H228-S245 PolarHBondContact NE2-OG 2.97Å; H243-S245 PolarHBondContact O-N 3.23Å; H243-S245 PolarHBondContact O-OG 3.2Å; S245-Y482 CarbonylContact C-O 3.49Å; S245-Y482 WeakPolarHBondContact CA-O 3.34Å; S245-Y482 WeakPolarHBondContact OG-CB 3.23Å; S245-Y484 WeakPolarHBondContact O-CE1 3.46Å
246F94.5Very high84.1Confident2 Ų254.6 Ų54.61%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-78.1150.1171.4-62.4-83.5000110.1M190 F219 Y223 E250 L254 F481 Y482 F483 Y484M190-F246 HydrophobicContact CB-CE2 4.4Å; M190-F246 HydrophobicContact CB-CZ 3.81Å; M190-F246 HydrophobicContact CE-CE1 4.11Å; M190-F246 HydrophobicContact CE-CZ 3.87Å; M190-F246 HydrophobicContact CG-CE2 4.31Å; M190-F246 HydrophobicContact CG-CZ 3.85Å; F219-F246 AromaticContact CD1-CD1 3.87Å; F219-F246 HydrophobicContact CD1-CD1 3.87Å; F219-F246 AromaticContact CD1-CE1 3.95Å; F219-F246 HydrophobicContact CD1-CE1 3.95Å; F219-F246 HydrophobicContact CE1-CD1 4.12Å; F219-F246 HydrophobicContact CE1-CE1 4.14Å; F219-F246 HydrophobicContact CG-CE1 4.3Å; Y223-F246 AromaticContact CD2-CD1 3.69Å; Y223-F246 HydrophobicContact CD2-CD1 3.69Å; Y223-F246 HydrophobicContact CD2-CD2 4.26Å; Y223-F246 AromaticContact CD2-CE1 3.71Å; Y223-F246 HydrophobicContact CD2-CE1 3.71Å; Y223-F246 HydrophobicContact CD2-CE2 4.27Å; Y223-F246 AromaticContact CD2-CG 3.96Å; Y223-F246 HydrophobicContact CD2-CG 3.96Å; Y223-F246 AromaticContact CD2-CZ 3.99Å; Y223-F246 HydrophobicContact CD2-CZ 3.99Å; Y223-F246 AromaticContact CE2-CD1 3.91Å; Y223-F246 HydrophobicContact CE2-CD1 3.91Å; Y223-F246 AromaticContact CE2-CD2 3.75Å; Y223-F246 HydrophobicContact CE2-CD2 3.75Å; Y223-F246 AromaticContact CE2-CE1 3.67Å; Y223-F246 HydrophobicContact CE2-CE1 3.67Å; Y223-F246 AromaticContact CE2-CE2 3.49Å; Y223-F246 HydrophobicContact CE2-CE2 3.49Å; Y223-F246 VanDerWaalsContact CE2-CE2 3.49Å; Y223-F246 AromaticContact CE2-CG 3.94Å; Y223-F246 HydrophobicContact CE2-CG 3.94Å; Y223-F246 AromaticContact CE2-CZ 3.43Å; Y223-F246 HydrophobicContact CE2-CZ 3.43Å; Y223-F246 VanDerWaalsContact CE2-CZ 3.43Å; Y223-F246 HydrophobicContact CG-CE1 4.43Å; Y223-F246 AromaticContact CZ-CZ 3.83Å; F246-E250 HydrophobicContact CB-CB 4.46Å; F246-L254 HydrophobicContact CD2-CD1 4.45Å; F246-L254 HydrophobicContact CE1-CD1 4.21Å; F246-L254 HydrophobicContact CE2-CD1 3.91Å; F246-L254 HydrophobicContact CZ-CD1 3.79Å; F246-F481 HydrophobicContact CE2-CD1 4.17Å; F246-Y482 PolarHBondContact N-O 3.29Å; F246-F483 HydrophobicContact CB-CD1 3.64Å; F246-F483 HydrophobicContact CB-CE1 3.52Å; F246-F483 HydrophobicContact CB-CG 4.36Å; F246-F483 HydrophobicContact CB-CZ 4.14Å; F246-F483 HydrophobicContact CG-CE1 4.38Å; F246-F483 CarbonylContact O-C 3.54Å; F246-F483 WeakPolarHBondContact O-CA 3.45Å; F246-Y484 WeakPolarHBondContact O-CD1 3.2Å; F246-Y484 PolarHBondContact O-N 2.85Å
247R93.9Very high85.8Confident60 Ų6044.9 Ų44.923%0.22622%0.218CC..EExtended strand (participates in β ladder)trans-69.7141.1165-176.3175.5-175.4173.91109.2F222 T249 E250 Y484F222-R247 HydrophobicContact CB-CB 3.95Å; F222-R247 HydrophobicContact CG-CB 4.41Å; R247-T249 PolarHBondContact O-N 3.01Å; R247-E250 HydrophobicContact CB-CG 4.11Å; R247-E250 VanDerWaalsContact O-CB 3.31Å; R247-E250 WeakPolarHBondContact O-CB 3.43Å; R247-E250 PolarHBondContact O-N 3.18Å; R247-Y484 HydrophobicContact CB-CE1 4.12Å; R247-Y484 HydrophobicContact CB-CE2 4.29Å; R247-Y484 HydrophobicContact CG-CE2 4.31Å
248D90.7Very high87.5Confident19 Ų1938.8 Ų38.810%0.10219%0.185CC..G310 helixtrans-45.1-38178.157.5-5.6000114.6E250 Y484 T485 F491D248-E250 PolarHBondContact O-N 2.92Å; D248-Y484 PolarHBondContact N-O 2.78Å; D248-T485 HydrophobicContact CB-CG2 4.46Å; D248-T485 WeakPolarHBondContact OD2-CA 3.34Å; D248-F491 HydrophobicContact CB-CE1 3.82Å; D248-F491 HydrophobicContact CB-CZ 3.96Å
249T90.4Very high88.6Confident75 Ų7534.5 Ų34.546%0.4617%0.17SC..G310 helixtrans-65.7-13.1176.657.70000115.1R247R247-T249 PolarHBondContact O-N 3.01Å
250E90.7Very high89.1Confident3 Ų333.2 Ų33.21%0.01416%0.159CC..G310 helixtrans-94.11.8-174.6-54.9-50.6123.600113.7R218 F219 F246 R247 D248 E252 N253 L254R218-E250 VanDerWaalsContact CD-OE2 3.31Å; R218-E250 WeakPolarHBondContact CD-OE2 3.43Å; R218-E250 WeakPolarHBondContact CG-OE2 3.48Å; R218-E250 IonicContact CZ-OE1 3.16Å; R218-E250 VanDerWaalsContact NE-CD 3.28Å; R218-E250 IonicContact NE-OE1 3.12Å; R218-E250 PolarHBondContact NE-OE1 2.99Å; R218-E250 IonicContact NE-OE2 3.14Å; R218-E250 PolarHBondContact NE-OE2 3.04Å; R218-E250 IonicContact NH2-OE1 3.63Å; R218-E250 PolarHBondContact NH2-OE1 3.48Å; F219-E250 HydrophobicContact CD1-CB 4.08Å; F219-E250 HydrophobicContact CD1-CG 4.46Å; F219-E250 HydrophobicContact CE1-CB 4.07Å; F246-E250 HydrophobicContact CB-CB 4.46Å; R247-E250 HydrophobicContact CB-CG 4.11Å; R247-E250 VanDerWaalsContact O-CB 3.31Å; R247-E250 WeakPolarHBondContact O-CB 3.43Å; R247-E250 PolarHBondContact O-N 3.18Å; D248-E250 PolarHBondContact O-N 2.92Å; E250-E252 VanDerWaalsContact C-N 3.27Å; E250-E252 PolarHBondContact O-N 2.99Å; E250-N253 PolarHBondContact O-N 3.32Å; E250-N253 VanDerWaalsContact O-N 3.12Å; E250-L254 PolarHBondContact O-N 3.47Å
251L87.8Confident89.2Confident37 Ų3727.9 Ų27.919%0.19414%0.136CC..Hα-helixtrans-55-42-179.9177.761.3000112.4L254 L255 F483 Y493L251-L254 HydrophobicContact CD1-CD2 4.32Å; L251-L254 WeakPolarHBondContact O-CB 3.22Å; L251-L254 PolarHBondContact O-N 3.16Å; L251-L255 HydrophobicContact CD1-CD1 4.39Å; L251-L255 HydrophobicContact CD1-CG 4.32Å; L251-L255 HydrophobicContact CG-CD1 4.32Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.5Å; L251-L255 PolarHBondContact O-N 3.24Å; L251-F483 HydrophobicContact CB-CE1 4.1Å; L251-F483 HydrophobicContact CB-CZ 4.12Å; L251-F483 HydrophobicContact CD1-CE2 4.26Å; L251-F483 HydrophobicContact CD1-CZ 3.74Å; L251-Y493 HydrophobicContact CD1-CD1 3.76Å; L251-Y493 HydrophobicContact CD1-CE1 3.82Å; L251-Y493 HydrophobicContact CD1-CG 4.15Å
252E84Confident88.8Confident76 Ų7627.2 Ų27.236%0.35513%0.13SC..Hα-helixtrans-65.1-43178.6-179.7171.9172.100112.1E250 L254 L255 R256 R413E250-E252 VanDerWaalsContact C-N 3.27Å; E250-E252 PolarHBondContact O-N 2.99Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.32Å; E252-L255 PolarHBondContact O-N 2.8Å; E252-R256 VanDerWaalsContact O-CG 3.31Å; E252-R256 WeakPolarHBondContact O-CG 3.44Å; E252-R256 PolarHBondContact O-N 2.91Å; E252-R256 IonicContact OE1-CZ 2.88Å; E252-R256 IonicContact OE1-NE 3.19Å; E252-R256 PolarHBondContact OE1-NE 2.81Å; E252-R256 IonicContact OE1-NH2 2.64Å; E252-R256 PolarHBondContact OE1-NH2 3.04Å; E252-R413 VanDerWaalsContact CD-NH1 3.34Å; E252-R413 IonicContact OE2-CZ 2.78Å; E252-R413 IonicContact OE2-NH1 3.98Å; E252-R413 PolarHBondContact OE2-NH1 2.65Å; E252-R413 IonicContact OE2-NH2 3.36Å
253N86.7Confident88.3Confident15 Ų1528.4 Ų28.48%0.0814%0.137CC..Hα-helixtrans-63.3-40.9177.8-166.621.8000110.4V214 D215 F219 E250 R256 T257V214-N253 WeakPolarHBondContact CA-OD1 3.46Å; D215-N253 PolarHBondContact N-OD1 3.02Å; D215-N253 PolarHBondContact O-ND2 2.96Å; F219-N253 HydrophobicContact CD1-CB 4.4Å; F219-N253 WeakPolarHBondContact CD1-ND2 3.47Å; F219-N253 HydrophobicContact CE1-CB 3.54Å; F219-N253 VanDerWaalsContact CE1-ND2 3.3Å; F219-N253 WeakPolarHBondContact CE1-ND2 3.33Å; F219-N253 HydrophobicContact CZ-CB 3.72Å; F219-N253 WeakPolarHBondContact CZ-ND2 3.47Å; F219-N253 WeakPolarHBondContact CZ-O 3.48Å; E250-N253 PolarHBondContact O-N 3.32Å; E250-N253 VanDerWaalsContact O-N 3.12Å; N253-R256 PolarHBondContact O-N 2.88Å; N253-T257 PolarHBondContact O-N 2.91Å; N253-T257 VanDerWaalsContact O-N 3.08Å; N253-T257 PolarHBondContact O-OG1 2.71Å
254L88.8Confident88Confident0 Ų027.9 Ų27.90%014%0.135CC..Hα-helixtrans-57.1-51.8175.417673.9000110.8M190 F219 F246 E250 L251 E252 R256 T257 F258 F481 F483M190-L254 HydrophobicContact CE-CD1 3.64Å; M190-L254 HydrophobicContact CG-CD1 3.77Å; M190-L254 HydrophobicContact SD-CD1 3.81Å; F219-L254 HydrophobicContact CE1-CB 4.31Å; F219-L254 HydrophobicContact CZ-CB 4.35Å; F219-L254 VanDerWaalsContact CZ-N 3.29Å; F246-L254 HydrophobicContact CD2-CD1 4.45Å; F246-L254 HydrophobicContact CE1-CD1 4.21Å; F246-L254 HydrophobicContact CE2-CD1 3.91Å; F246-L254 HydrophobicContact CZ-CD1 3.79Å; E250-L254 PolarHBondContact O-N 3.47Å; L251-L254 HydrophobicContact CD1-CD2 4.32Å; L251-L254 WeakPolarHBondContact O-CB 3.22Å; L251-L254 PolarHBondContact O-N 3.16Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.32Å; L254-R256 PolarHBondContact O-N 2.93Å; L254-T257 VanDerWaalsContact O-CB 3.27Å; L254-T257 WeakPolarHBondContact O-CB 3.42Å; L254-T257 PolarHBondContact O-N 3.01Å; L254-T257 VanDerWaalsContact O-N 3.12Å; L254-F258 HydrophobicContact CD1-CE2 3.73Å; L254-F258 HydrophobicContact CD1-CZ 4.21Å; L254-F258 HydrophobicContact CD2-CE2 4.49Å; L254-F258 HydrophobicContact CG-CD2 4.48Å; L254-F258 HydrophobicContact CG-CE2 3.82Å; L254-F258 WeakPolarHBondContact O-CD2 3.49Å; L254-F258 PolarHBondContact O-N 3.09Å; L254-F481 HydrophobicContact CD1-CD1 3.75Å; L254-F481 HydrophobicContact CD1-CE1 3.7Å; L254-F481 HydrophobicContact CD1-CZ 4.47Å; L254-F481 HydrophobicContact CD2-CB 4.04Å; L254-F481 HydrophobicContact CD2-CD1 3.53Å; L254-F481 HydrophobicContact CD2-CD2 3.87Å; L254-F481 HydrophobicContact CD2-CE1 3.94Å; L254-F481 HydrophobicContact CD2-CE2 4.23Å; L254-F481 HydrophobicContact CD2-CG 3.5Å; L254-F481 VanDerWaalsContact CD2-CG 3.5Å; L254-F481 HydrophobicContact CD2-CZ 4.28Å; L254-F481 HydrophobicContact CG-CD1 4.2Å; L254-F481 HydrophobicContact CG-CE1 4.22Å; L254-F483 HydrophobicContact CD2-CE2 4.06Å; L254-F483 HydrophobicContact CD2-CZ 3.65Å
255L84.7Confident87.7Confident24 Ų2429.4 Ų29.413%0.12614%0.142CC..Hα-helixtrans-58.5-47.8178.4-69.7176.9000110.7L251 E252 T257 F258 S259 L416 Y493L251-L255 HydrophobicContact CD1-CD1 4.39Å; L251-L255 HydrophobicContact CD1-CG 4.32Å; L251-L255 HydrophobicContact CG-CD1 4.32Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.5Å; L251-L255 PolarHBondContact O-N 3.24Å; E252-L255 PolarHBondContact O-N 2.8Å; L255-T257 PolarHBondContact O-N 3.48Å; L255-T257 VanDerWaalsContact O-N 3.14Å; L255-F258 PolarHBondContact O-N 2.79Å; L255-S259 PolarHBondContact O-N 2.55Å; L255-S259 VanDerWaalsContact O-N 3.08Å; L255-L416 VanDerWaalsContact C-CD1 3.4Å; L255-L416 HydrophobicContact CB-CD1 3.59Å; L255-L416 HydrophobicContact CB-CG 4.21Å; L255-L416 HydrophobicContact CD2-CD1 4.09Å; L255-L416 HydrophobicContact CD2-CG 4.49Å; L255-L416 HydrophobicContact CG-CD1 4.4Å; L255-L416 WeakPolarHBondContact O-CD1 3.38Å; L255-Y493 HydrophobicContact CD2-CE1 4.25Å
256R84.4Confident87.1Confident104 Ų10431.5 Ų31.539%0.39215%0.152SC..Hα-helixtrans-56.2-33.5177.3-70.4175.5-178.1-165.8-0.1113S213 V214 E252 N253 L254 F258 S259 L260S213-R256 WeakPolarHBondContact O-CD 3.35Å; S213-R256 PolarHBondContact O-NH1 3.36Å; V214-R256 HydrophobicContact CG2-CB 3.98Å; E252-R256 VanDerWaalsContact O-CG 3.31Å; E252-R256 WeakPolarHBondContact O-CG 3.44Å; E252-R256 PolarHBondContact O-N 2.91Å; E252-R256 IonicContact OE1-CZ 2.88Å; E252-R256 IonicContact OE1-NE 3.19Å; E252-R256 PolarHBondContact OE1-NE 2.81Å; E252-R256 IonicContact OE1-NH2 2.64Å; E252-R256 PolarHBondContact OE1-NH2 3.04Å; N253-R256 PolarHBondContact O-N 2.88Å; L254-R256 PolarHBondContact O-N 2.93Å; R256-F258 PolarHBondContact O-N 3.33Å; R256-S259 PolarHBondContact O-N 2.77Å; R256-L260 WeakPolarHBondContact O-CB 3.48Å; R256-L260 PolarHBondContact O-N 2.88Å
257T86.8Confident86.7Confident1 Ų136.2 Ų36.21%0.00617%0.172CC..Hα-helixtrans-61.5-42.3175.5-51.50000112M190 L198 V214 F219 N253 L254 L255 L260 R261M190-T257 HydrophobicContact CE-CG2 4.04Å; M190-T257 HydrophobicContact SD-CG2 4.11Å; L198-T257 HydrophobicContact CD1-CG2 3.51Å; V214-T257 WeakPolarHBondContact CG1-OG1 3.31Å; F219-T257 VanDerWaalsContact CE2-OG1 3.31Å; F219-T257 WeakPolarHBondContact CE2-OG1 3.5Å; F219-T257 WeakPolarHBondContact CZ-OG1 3.45Å; N253-T257 PolarHBondContact O-N 2.91Å; N253-T257 VanDerWaalsContact O-N 3.08Å; N253-T257 PolarHBondContact O-OG1 2.71Å; L254-T257 VanDerWaalsContact O-CB 3.27Å; L254-T257 WeakPolarHBondContact O-CB 3.42Å; L254-T257 PolarHBondContact O-N 3.01Å; L254-T257 VanDerWaalsContact O-N 3.12Å; L255-T257 PolarHBondContact O-N 3.48Å; L255-T257 VanDerWaalsContact O-N 3.14Å; T257-L260 PolarHBondContact O-N 2.83Å; T257-R261 PolarHBondContact O-N 3.21Å
258F83.4Confident86.6Confident9 Ų933.5 Ų33.54%0.03916%0.162CC..Hα-helixtrans-68.6-40.2175.3-66.4-56.3000113.1M190 L254 L255 R256 L260 R261 Q262 L416 S472 N473 F481M190-F258 HydrophobicContact CG-CZ 3.89Å; M190-F258 HydrophobicContact SD-CE1 4.02Å; M190-F258 HydrophobicContact SD-CE2 4.27Å; M190-F258 HydrophobicContact SD-CZ 3.54Å; M190-F258 VanDerWaalsContact SD-CZ 3.54Å; L254-F258 HydrophobicContact CD1-CE2 3.73Å; L254-F258 HydrophobicContact CD1-CZ 4.21Å; L254-F258 HydrophobicContact CD2-CE2 4.49Å; L254-F258 HydrophobicContact CG-CD2 4.48Å; L254-F258 HydrophobicContact CG-CE2 3.82Å; L254-F258 WeakPolarHBondContact O-CD2 3.49Å; L254-F258 PolarHBondContact O-N 3.09Å; L255-F258 PolarHBondContact O-N 2.79Å; R256-F258 PolarHBondContact O-N 3.33Å; F258-L260 VanDerWaalsContact C-N 3.3Å; F258-L260 PolarHBondContact O-N 3.32Å; F258-R261 PolarHBondContact O-N 3.32Å; F258-Q262 WeakPolarHBondContact O-CB 3.41Å; F258-Q262 PolarHBondContact O-N 3.45Å; F258-L416 HydrophobicContact CB-CD1 4.46Å; F258-S472 WeakPolarHBondContact CD1-O 3.34Å; F258-N473 HydrophobicContact CD1-CB 4.19Å; F258-N473 HydrophobicContact CE1-CB 4.14Å; F258-N473 WeakPolarHBondContact CE1-ND2 3.4Å; F258-N473 WeakPolarHBondContact CZ-ND2 3.28Å; F258-F481 HydrophobicContact CD2-CZ 4.2Å; F258-F481 HydrophobicContact CE1-CZ 4.36Å; F258-F481 AromaticContact CE2-CE1 3.47Å; F258-F481 HydrophobicContact CE2-CE1 3.47Å; F258-F481 VanDerWaalsContact CE2-CE1 3.47Å; F258-F481 HydrophobicContact CE2-CE2 4.01Å; F258-F481 AromaticContact CE2-CZ 3.09Å; F258-F481 HydrophobicContact CE2-CZ 3.09Å; F258-F481 AromaticContact CZ-CE1 3.38Å; F258-F481 HydrophobicContact CZ-CE1 3.38Å; F258-F481 HydrophobicContact CZ-CE2 4.45Å; F258-F481 AromaticContact CZ-CZ 3.23Å; F258-F481 HydrophobicContact CZ-CZ 3.23Å
259S81.5Confident86.7Confident38 Ų3834.7 Ų34.727%0.26617%0.165SC..Hα-helixtrans-58.8-44.5173.9179.80000111L255 R256 Q262 H263L255-S259 PolarHBondContact O-N 2.55Å; L255-S259 VanDerWaalsContact O-N 3.08Å; R256-S259 PolarHBondContact O-N 2.77Å; S259-Q262 PolarHBondContact O-N 3.47Å; S259-H263 WeakPolarHBondContact O-CB 3.32Å; S259-H263 PolarHBondContact O-N 3.44Å
260L85.1Confident86.7Confident17 Ų1732.1 Ų32.19%0.08915%0.148CC..Hα-helixtrans-62-47.1177.2-174.860.9000112.2L198 V214 R256 T257 F258 Q262 H263 L264L198-L260 HydrophobicContact CB-CD2 4.36Å; L198-L260 HydrophobicContact CD2-CG 4.46Å; V214-L260 HydrophobicContact CG2-CB 4.26Å; V214-L260 HydrophobicContact CG2-CD2 3.98Å; R256-L260 WeakPolarHBondContact O-CB 3.48Å; R256-L260 PolarHBondContact O-N 2.88Å; T257-L260 PolarHBondContact O-N 2.83Å; F258-L260 VanDerWaalsContact C-N 3.3Å; F258-L260 PolarHBondContact O-N 3.32Å; L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 3.03Å; L260-H263 WeakPolarHBondContact O-CB 3.44Å; L260-H263 PolarHBondContact O-N 2.8Å; L260-H263 VanDerWaalsContact O-N 3.17Å; L260-L264 HydrophobicContact CG-CD1 4.42Å; L260-L264 PolarHBondContact O-N 3.18Å
261R87.8Confident86.9Confident18 Ų1834.4 Ų34.47%0.06816%0.159CC..Hα-helixtrans-56.5-49.1175.3179.9174177.3-78.5-3.6111.1Y197 L198 T257 F258 H263 L264 H265 S471 N473Y197-R261 WeakPolarHBondContact OH-CD 3.45Å; Y197-R261 PolarHBondContact OH-NE 3.16Å; L198-R261 HydrophobicContact CD2-CB 3.93Å; L198-R261 HydrophobicContact CD2-CG 4.48Å; T257-R261 PolarHBondContact O-N 3.21Å; F258-R261 PolarHBondContact O-N 3.32Å; R261-H263 VanDerWaalsContact C-N 3.29Å; R261-H263 PolarHBondContact O-N 2.92Å; R261-L264 PolarHBondContact O-N 2.89Å; R261-H265 PolarHBondContact NH2-NE2 2.8Å; R261-H265 PolarHBondContact O-CD2 3.4Å; R261-H265 VanDerWaalsContact O-CD2 3.29Å; R261-H265 PolarHBondContact O-N 3.22Å; R261-S471 PolarHBondContact NH1-O 3.09Å; R261-N473 VanDerWaalsContact NH1-C 3.32Å
262Q82.3Confident87.2Confident13 Ų1337.1 Ų37.16%0.06117%0.169CC..Hα-helixtrans-59.9-41.6178.1-178.6178.2-40.400111.6F258 S259 L260 H265 Q266F258-Q262 WeakPolarHBondContact O-CB 3.41Å; F258-Q262 PolarHBondContact O-N 3.45Å; S259-Q262 PolarHBondContact O-N 3.47Å; L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 3.03Å; Q262-H265 PolarHBondContact O-N 2.81Å; Q262-Q266 WeakPolarHBondContact O-CG 3.49Å; Q262-Q266 PolarHBondContact O-N 2.69Å
263H84Confident87.8Confident75 Ų7535.1 Ų35.135%0.34716%0.162SC..Hα-helixtrans-59.7-48.4176.9-173.692.6000111.8S259 L260 R261 H265 Q266 K267S259-H263 WeakPolarHBondContact O-CB 3.32Å; S259-H263 PolarHBondContact O-N 3.44Å; L260-H263 WeakPolarHBondContact O-CB 3.44Å; L260-H263 PolarHBondContact O-N 2.8Å; L260-H263 VanDerWaalsContact O-N 3.17Å; R261-H263 VanDerWaalsContact C-N 3.29Å; R261-H263 PolarHBondContact O-N 2.92Å; H263-H265 PolarHBondContact O-N 2.92Å; H263-Q266 PolarHBondContact O-N 2.77Å; H263-K267 WeakPolarHBondContact O-CB 3.22Å; H263-K267 WeakPolarHBondContact O-CG 3.09Å; H263-K267 PolarHBondContact O-N 3.42Å
264L89Confident88.3Confident0 Ų034.8 Ų34.80%016%0.161CC..Hα-helixtrans-61.5-43.1177.6-73.4168.1000112.2L198 D201 L207 L260 R261 Q266 V268 Y269L198-L264 HydrophobicContact CD2-CD1 3.56Å; D201-L264 HydrophobicContact CB-CD1 4.41Å; D201-L264 HydrophobicContact CB-CD2 4.45Å; L207-L264 HydrophobicContact CD1-CD2 3.59Å; L260-L264 HydrophobicContact CG-CD1 4.42Å; L260-L264 PolarHBondContact O-N 3.18Å; R261-L264 PolarHBondContact O-N 2.89Å; L264-Q266 VanDerWaalsContact C-N 3.35Å; L264-Q266 PolarHBondContact O-N 2.87Å; L264-V268 HydrophobicContact CD2-CG2 3.97Å; L264-V268 WeakPolarHBondContact O-CA 3.32Å; L264-V268 WeakPolarHBondContact O-CB 3.38Å; L264-V268 PolarHBondContact O-N 2.85Å; L264-Y269 HydrophobicContact CB-CD2 4.37Å; L264-Y269 HydrophobicContact CB-CE1 4.31Å; L264-Y269 HydrophobicContact CB-CE2 3.68Å; L264-Y269 PolarHBondContact O-N 3.31Å
265H89Confident88.6Confident31 Ų3135.6 Ų35.614%0.14417%0.166CC..Iπ-helixtrans-57.7-46.8174.2-87-82.2000112.1R261 Q262 H263 Y269 Q270 F470R261-H265 PolarHBondContact NH2-NE2 2.8Å; R261-H265 PolarHBondContact O-CD2 3.4Å; R261-H265 VanDerWaalsContact O-CD2 3.29Å; R261-H265 PolarHBondContact O-N 3.22Å; Q262-H265 PolarHBondContact O-N 2.81Å; H263-H265 PolarHBondContact O-N 2.92Å; H265-Y269 HydrophobicContact CB-CD2 4.23Å; H265-Y269 AromaticContact CD2-CD2 3.92Å; H265-Y269 AromaticContact CE1-CD2 3.87Å; H265-Y269 AromaticContact CG-CD2 3.69Å; H265-Y269 AromaticContact ND1-CD2 3.68Å; H265-Q270 VanDerWaalsContact O-CB 3.22Å; H265-Q270 WeakPolarHBondContact O-CB 3.46Å; H265-Q270 WeakPolarHBondContact O-CG 3.41Å; H265-Q270 PolarHBondContact O-N 3.49Å; H265-F470 HydrophobicContact CB-CB 3.94Å; H265-F470 HydrophobicContact CB-CD2 4.36Å; H265-F470 HydrophobicContact CB-CG 4.39Å
266Q83Confident89.2Confident45 Ų4534.6 Ų34.621%0.2116%0.161CC..Iπ-helixtrans-71.3-43.5-177.4-71.9-177.21000113.2Q262 H263 L264 F470Q262-Q266 WeakPolarHBondContact O-CG 3.49Å; Q262-Q266 PolarHBondContact O-N 2.69Å; H263-Q266 PolarHBondContact O-N 2.77Å; L264-Q266 VanDerWaalsContact C-N 3.35Å; L264-Q266 PolarHBondContact O-N 2.87Å; Q266-F470 HydrophobicContact CG-CD2 4.06Å; Q266-F470 HydrophobicContact CG-CE2 3.34Å; Q266-F470 HydrophobicContact CG-CZ 3.83Å
267K86.9Confident89.8Confident101 Ų10129.7 Ų29.744%0.43914%0.142SC..Iπ-helixtrans-93.4-29.8-169.2-64-57.7-173.9-179.30113.6F45 H263F45-K267 VanDerWaalsContact CZ-O 3.23Å; F45-K267 WeakPolarHBondContact CZ-O 3.38Å; H263-K267 WeakPolarHBondContact O-CB 3.22Å; H263-K267 WeakPolarHBondContact O-CG 3.09Å; H263-K267 PolarHBondContact O-N 3.42Å
268V91.9Very high90.4Very high2 Ų230.6 Ų30.61%0.01215%0.149CC..Iπ-helixtrans-113.6-70.2-173.4-172.80000110.3L38 F45 A205 L264 Q270 H271L38-V268 HydrophobicContact CD1-CG1 4.04Å; F45-V268 HydrophobicContact CD2-CG1 4.03Å; F45-V268 HydrophobicContact CE2-CB 4.4Å; F45-V268 HydrophobicContact CE2-CG1 4.08Å; A205-V268 HydrophobicContact CB-CG1 4.38Å; A205-V268 HydrophobicContact CB-CG2 3.9Å; L264-V268 HydrophobicContact CD2-CG2 3.97Å; L264-V268 WeakPolarHBondContact O-CA 3.32Å; L264-V268 WeakPolarHBondContact O-CB 3.38Å; L264-V268 PolarHBondContact O-N 2.85Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 3.46Å; V268-H271 WeakPolarHBondContact O-CB 3.48Å; V268-H271 PolarHBondContact O-N 3.24Å
269Y93.1Very high91Very high44 Ų4430.3 Ų30.317%0.17315%0.148CC..Iπ-helixtrans-64-38-167.6-46.9-33.7000112.9L38 Y197 D201 L264 H265L38-Y269 HydrophobicContact CD1-CD1 4.35Å; L38-Y269 HydrophobicContact CD1-CE1 4.01Å; L38-Y269 HydrophobicContact CD2-CD1 3.76Å; L38-Y269 HydrophobicContact CD2-CE1 3.39Å; L38-Y269 HydrophobicContact CG-CE1 4.35Å; Y197-Y269 WeakPolarHBondContact CD2-OH 3.42Å; Y197-Y269 WeakPolarHBondContact CE2-OH 3.46Å; D201-Y269 HydrophobicContact CB-CE1 4.42Å; D201-Y269 WeakPolarHBondContact OD2-CE1 3.35Å; D201-Y269 PolarHBondContact OD2-OH 3.19Å; L264-Y269 HydrophobicContact CB-CD2 4.37Å; L264-Y269 HydrophobicContact CB-CE1 4.31Å; L264-Y269 HydrophobicContact CB-CE2 3.68Å; L264-Y269 PolarHBondContact O-N 3.31Å; H265-Y269 HydrophobicContact CB-CD2 4.23Å; H265-Y269 AromaticContact CD2-CD2 3.92Å; H265-Y269 AromaticContact CE1-CD2 3.87Å; H265-Y269 AromaticContact CG-CD2 3.69Å; H265-Y269 AromaticContact ND1-CD2 3.68Å
270Q90.7Very high91.8Very high22 Ų2228.5 Ų28.510%0.10314%0.136CC..THydrogen-bonded Turntrans-112.826.1-178.8-51.9-173.5-8.700112.6H265 V268 K272 S468 R469 R504H265-Q270 VanDerWaalsContact O-CB 3.22Å; H265-Q270 WeakPolarHBondContact O-CB 3.46Å; H265-Q270 WeakPolarHBondContact O-CG 3.41Å; H265-Q270 PolarHBondContact O-N 3.49Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 3.46Å; Q270-K272 PolarHBondContact O-N 3.42Å; Q270-S468 PolarHBondContact OE1-OG 3.03Å; Q270-R469 PolarHBondContact NE2-O 2.98Å; Q270-R504 PolarHBondContact O-NH2 3.06Å; Q270-R504 VanDerWaalsContact O-NH2 3.09Å
271H93.4Very high92.4Very high51 Ų5127.9 Ų27.924%0.23613%0.132CC..  trans-56.7133.6172-178.7-88.6000109.9F45 V268 T273 V274 T275F45-H271 HydrophobicContact CE2-CB 4.15Å; F45-H271 HydrophobicContact CZ-CB 4.46Å; V268-H271 WeakPolarHBondContact O-CB 3.48Å; V268-H271 PolarHBondContact O-N 3.24Å; H271-T273 PolarHBondContact CE1-OG1 2.96Å; H271-T273 PolarHBondContact ND1-N 3.31Å; H271-T273 VanDerWaalsContact ND1-N 3.16Å; H271-T273 PolarHBondContact O-N 3.4Å; H271-V274 HydrophobicContact CB-CB 4.23Å; H271-V274 HydrophobicContact CB-CG2 3.89Å; H271-V274 WeakPolarHBondContact O-CA 2.74Å; H271-V274 WeakPolarHBondContact O-CB 2.93Å; H271-V274 PolarHBondContact O-N 2.85Å; H271-T275 PolarHBondContact O-N 3.04Å; H271-T275 PolarHBondContact O-OG1 3.49Å
272K94.4Very high92.9Very high93 Ų9327 Ų2740%0.40413%0.129SC..Hα-helixtrans-49.8-39.5-174.561179.5178.8179.70114.1Q270 A276 Y361 Y506Q270-K272 PolarHBondContact O-N 3.42Å; K272-A276 PolarHBondContact O-N 3.21Å; K272-Y361 HydrophobicContact CB-CD2 3.84Å; K272-Y361 HydrophobicContact CB-CE2 4.04Å; K272-Y361 HydrophobicContact CB-CG 4.29Å; K272-Y361 HydrophobicContact CD-CD1 3.73Å; K272-Y361 HydrophobicContact CD-CD2 4.1Å; K272-Y361 HydrophobicContact CD-CE1 3.89Å; K272-Y361 HydrophobicContact CD-CE2 4.24Å; K272-Y361 HydrophobicContact CD-CG 3.83Å; K272-Y506 PolarHBondContact O-OH 3.43Å
273T96.5Very high93.6Very high35 Ų3527.5 Ų27.522%0.21513%0.132CC..Hα-helixtrans-75.2-32.1178.7-50.40000112.4V44 H271 A276 I277 L358V44-T273 HydrophobicContact CG2-CG2 3.71Å; H271-T273 PolarHBondContact CE1-OG1 2.96Å; H271-T273 PolarHBondContact ND1-N 3.31Å; H271-T273 VanDerWaalsContact ND1-N 3.16Å; H271-T273 PolarHBondContact O-N 3.4Å; T273-A276 PolarHBondContact O-N 2.84Å; T273-I277 HydrophobicContact CG2-CD1 4.28Å; T273-I277 VanDerWaalsContact O-CG1 3.3Å; T273-I277 WeakPolarHBondContact O-CG1 3.36Å; T273-I277 PolarHBondContact O-N 3.49Å; T273-I277 VanDerWaalsContact O-N 3.14Å; T273-L358 HydrophobicContact CG2-CD1 3.58Å
274V97Very high94.2Very high7 Ų723.9 Ų23.94%0.04212%0.115CC..Hα-helixtrans-64.1-49.9172.1174.40000108I40 A41 V44 F45 H271 A276 I277 S278I40-V274 HydrophobicContact CD1-CB 4.35Å; I40-V274 HydrophobicContact CD1-CG1 3.58Å; I40-V274 VanDerWaalsContact CD1-O 3.23Å; I40-V274 WeakPolarHBondContact CD1-O 3.45Å; A41-V274 HydrophobicContact CB-CG1 4.35Å; A41-V274 HydrophobicContact CB-CG2 4.28Å; V44-V274 HydrophobicContact CB-CG2 3.77Å; V44-V274 HydrophobicContact CG1-CG2 4.38Å; V44-V274 HydrophobicContact CG2-CG2 3.54Å; F45-V274 HydrophobicContact CE2-CG2 4.3Å; H271-V274 HydrophobicContact CB-CB 4.23Å; H271-V274 HydrophobicContact CB-CG2 3.89Å; H271-V274 WeakPolarHBondContact O-CA 2.74Å; H271-V274 WeakPolarHBondContact O-CB 2.93Å; H271-V274 PolarHBondContact O-N 2.85Å; V274-A276 VanDerWaalsContact C-N 3.32Å; V274-A276 PolarHBondContact O-N 3.25Å; V274-I277 PolarHBondContact O-N 2.84Å; V274-I277 VanDerWaalsContact O-N 3.09Å; V274-S278 PolarHBondContact O-N 2.72Å; V274-S278 PolarHBondContact O-OG 2.87Å
275T96.2Very high94.6Very high18 Ų1824 Ų2411%0.1112%0.116CC..Hα-helixtrans-57-40.9176.4-540000113.2H271 S278 A279 T466 Y506H271-T275 PolarHBondContact O-N 3.04Å; H271-T275 PolarHBondContact O-OG1 3.49Å; T275-S278 PolarHBondContact O-N 2.65Å; T275-A279 WeakPolarHBondContact O-CB 3.34Å; T275-A279 PolarHBondContact O-N 3.29Å; T275-T466 HydrophobicContact CG2-CG2 3.97Å; T275-T466 VanDerWaalsContact CG2-OG1 3.3Å; T275-T466 WeakPolarHBondContact CG2-OG1 3.23Å; T275-Y506 WeakPolarHBondContact CB-OH 3.31Å; T275-Y506 HydrophobicContact CG2-CE2 4.19Å
276A97Very high95Very high3 Ų325.3 Ų25.33%0.02512%0.122CC..Hα-helixtrans-60.3-45.617500000112.3K272 T273 V274 A279 M280 Y506K272-A276 PolarHBondContact O-N 3.21Å; T273-A276 PolarHBondContact O-N 2.84Å; V274-A276 VanDerWaalsContact C-N 3.32Å; V274-A276 PolarHBondContact O-N 3.25Å; A276-A279 PolarHBondContact O-N 3.19Å; A276-M280 WeakPolarHBondContact O-CG 3.14Å; A276-M280 PolarHBondContact O-N 2.75Å; A276-M280 VanDerWaalsContact O-N 3.11Å; A276-Y506 HydrophobicContact CB-CD1 3.97Å; A276-Y506 HydrophobicContact CB-CE1 3.64Å
277I97.8Very high95.7Very high0 Ų024.6 Ų24.60%012%0.119CC..Hα-helixtrans-69.6-41.7179.6-64.1169.1000110.6I40 F43 V44 T273 V274 A279 M280 I281 I353 L358I40-I277 HydrophobicContact CB-CG2 4.47Å; I40-I277 HydrophobicContact CD1-CB 3.84Å; I40-I277 HydrophobicContact CD1-CG2 3.82Å; F43-I277 HydrophobicContact CB-CD1 3.51Å; F43-I277 HydrophobicContact CD2-CG2 4.15Å; F43-I277 HydrophobicContact CG-CD1 4.18Å; F43-I277 HydrophobicContact CG-CG2 4.48Å; V44-I277 HydrophobicContact CG2-CD1 4.43Å; T273-I277 HydrophobicContact CG2-CD1 4.28Å; T273-I277 VanDerWaalsContact O-CG1 3.3Å; T273-I277 WeakPolarHBondContact O-CG1 3.36Å; T273-I277 PolarHBondContact O-N 3.49Å; T273-I277 VanDerWaalsContact O-N 3.14Å; V274-I277 PolarHBondContact O-N 2.84Å; V274-I277 VanDerWaalsContact O-N 3.09Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.23Å; I277-M280 PolarHBondContact O-N 3.31Å; I277-I281 HydrophobicContact CG2-CD1 3.87Å; I277-I281 HydrophobicContact CG2-CG1 4.44Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.39Å; I277-I353 HydrophobicContact CG2-CD1 4.32Å; I277-I353 HydrophobicContact CG2-CG2 3.95Å; I277-L358 HydrophobicContact CD1-CD1 3.93Å; I277-L358 HydrophobicContact CD1-CD2 4.35Å; I277-L358 HydrophobicContact CG1-CD1 3.81Å; I277-L358 HydrophobicContact CG1-CD2 3.82Å; I277-L358 HydrophobicContact CG1-CG 4.41Å
278S97.6Very high96.1Very high20 Ų2019.8 Ų19.814%0.1410%0.099CC..Hα-helixtrans-53.5-47172.2-71.60000111.6I40 V274 T275 I281 I282I40-S278 VanDerWaalsContact CD1-OG 3.32Å; I40-S278 WeakPolarHBondContact CD1-OG 3.34Å; I40-S278 WeakPolarHBondContact CG1-OG 3.38Å; V274-S278 PolarHBondContact O-N 2.72Å; V274-S278 PolarHBondContact O-OG 2.87Å; T275-S278 PolarHBondContact O-N 2.65Å; S278-I281 PolarHBondContact O-N 3.24Å; S278-I282 WeakPolarHBondContact O-CG1 3.3Å; S278-I282 PolarHBondContact O-N 3.15Å
279A97.1Very high96.3Very high4 Ų420.5 Ų20.53%0.03310%0.102CC..Hα-helixtrans-61.3-45.7177.400000112.4T275 A276 I277 I281 I282 D283 Y359 L464 T466T275-A279 WeakPolarHBondContact O-CB 3.34Å; T275-A279 PolarHBondContact O-N 3.29Å; A276-A279 PolarHBondContact O-N 3.19Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.23Å; A279-I281 VanDerWaalsContact C-N 3.3Å; A279-I281 PolarHBondContact O-N 2.69Å; A279-I282 PolarHBondContact O-N 2.77Å; A279-D283 VanDerWaalsContact O-CG 3.25Å; A279-D283 PolarHBondContact O-N 2.97Å; A279-Y359 HydrophobicContact CB-CD2 4.26Å; A279-Y359 HydrophobicContact CB-CE2 4.29Å; A279-L464 HydrophobicContact CB-CD2 3.51Å; A279-T466 HydrophobicContact CB-CG2 4.29Å
280M97.9Very high96.4Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-62.4-36.4176.6-67.4176.278.300112.6A276 I277 A284 L349 R352 I353 L358 Y359A276-M280 WeakPolarHBondContact O-CG 3.14Å; A276-M280 PolarHBondContact O-N 2.75Å; A276-M280 VanDerWaalsContact O-N 3.11Å; I277-M280 PolarHBondContact O-N 3.31Å; M280-A284 PolarHBondContact O-N 3.39Å; M280-L349 HydrophobicContact CE-CD2 4.28Å; M280-R352 HydrophobicContact CE-CB 3.72Å; M280-I353 HydrophobicContact CB-CD1 3.78Å; M280-I353 HydrophobicContact CB-CG1 3.99Å; M280-I353 HydrophobicContact CE-CG1 3.73Å; M280-I353 HydrophobicContact SD-CG1 3.87Å; M280-L358 HydrophobicContact SD-CB 4.19Å; M280-L358 HydrophobicContact SD-CD2 3.96Å; M280-Y359 HydrophobicContact CB-CE2 4.39Å; M280-Y359 HydrophobicContact CE-CD1 4.27Å; M280-Y359 HydrophobicContact CE-CE1 4.27Å; M280-Y359 HydrophobicContact CG-CD1 3.67Å; M280-Y359 HydrophobicContact CG-CD2 3.56Å; M280-Y359 HydrophobicContact CG-CE1 3.64Å; M280-Y359 HydrophobicContact CG-CE2 3.51Å; M280-Y359 HydrophobicContact CG-CG 3.64Å; M280-Y359 HydrophobicContact SD-CD1 3.96Å; M280-Y359 HydrophobicContact SD-CE1 4.33Å; M280-Y359 HydrophobicContact SD-CG 4.11Å
281I97.8Very high96.4Very high3 Ų321.4 Ų21.42%0.01512%0.115CC..Hα-helixtrans-68.8-45175.8-71.4170.4000110.4I40 F103 L106 I277 S278 A279 D283 A284 L285 L321 M350 I353I40-I281 HydrophobicContact CB-CD1 3.99Å; I40-I281 HydrophobicContact CG1-CD1 4.4Å; I40-I281 HydrophobicContact CG2-CD1 3.3Å; F103-I281 HydrophobicContact CD2-CG2 4.11Å; F103-I281 HydrophobicContact CE2-CG2 4.07Å; L106-I281 HydrophobicContact CD2-CB 4.08Å; L106-I281 HydrophobicContact CD2-CG2 3.75Å; I277-I281 HydrophobicContact CG2-CD1 3.87Å; I277-I281 HydrophobicContact CG2-CG1 4.44Å; I277-I281 WeakPolarHBondContact O-CG1 3.49Å; I277-I281 PolarHBondContact O-N 3.39Å; S278-I281 PolarHBondContact O-N 3.24Å; A279-I281 VanDerWaalsContact C-N 3.3Å; A279-I281 PolarHBondContact O-N 2.69Å; I281-D283 VanDerWaalsContact C-N 3.34Å; I281-D283 PolarHBondContact O-N 3.44Å; I281-A284 WeakPolarHBondContact O-CB 3.42Å; I281-A284 PolarHBondContact O-N 3.47Å; I281-A284 VanDerWaalsContact O-N 3.16Å; I281-L285 HydrophobicContact CG2-CD1 4.15Å; I281-L285 HydrophobicContact CG2-CG 4.39Å; I281-L285 WeakPolarHBondContact O-CG 3.36Å; I281-L285 PolarHBondContact O-N 3.19Å; I281-L321 HydrophobicContact CD1-CD1 4.47Å; I281-M350 HydrophobicContact CG1-CE 4.12Å; I281-I353 HydrophobicContact CD1-CD1 4.4Å; I281-I353 HydrophobicContact CG1-CD1 3.67Å
282I97.7Very high96.4Very high1 Ų120.3 Ų20.31%0.00511%0.11CC..Hα-helixtrans-58.6-47.3174.5-68.7172.4000110.4L106 E109 F110 R113 S278 A279 A284 L285 E286L106-I282 HydrophobicContact CD1-CD1 3.59Å; L106-I282 HydrophobicContact CD1-CG1 3.76Å; L106-I282 HydrophobicContact CG-CD1 4.49Å; L106-I282 HydrophobicContact CG-CG1 4.21Å; E109-I282 HydrophobicContact CG-CD1 3.99Å; E109-I282 WeakPolarHBondContact OE1-CD1 3.39Å; F110-I282 HydrophobicContact CB-CG1 4.47Å; F110-I282 HydrophobicContact CD2-CG2 4.46Å; R113-I282 VanDerWaalsContact CZ-CD1 3.47Å; R113-I282 VanDerWaalsContact NH1-CG2 3.29Å; S278-I282 WeakPolarHBondContact O-CG1 3.3Å; S278-I282 PolarHBondContact O-N 3.15Å; A279-I282 PolarHBondContact O-N 2.77Å; I282-A284 PolarHBondContact O-N 3.4Å; I282-L285 CarbonylContact O-C 3.54Å; I282-L285 WeakPolarHBondContact O-CA 3.38Å; I282-L285 WeakPolarHBondContact O-CB 3.35Å; I282-L285 PolarHBondContact O-N 3.04Å; I282-E286 HydrophobicContact CG2-CG 4.1Å; I282-E286 WeakPolarHBondContact O-CG 3.48Å; I282-E286 PolarHBondContact O-N 2.7Å
283D97Very high96.5Very high22 Ų2220.2 Ų20.212%0.11811%0.114CC..Hα-helixtrans-57.7-38.9177.6-66.8-45000112.1A279 I281 E286 L287 L349 Y359 R508A279-D283 VanDerWaalsContact O-CG 3.25Å; A279-D283 PolarHBondContact O-N 2.97Å; I281-D283 VanDerWaalsContact C-N 3.34Å; I281-D283 PolarHBondContact O-N 3.44Å; D283-E286 PolarHBondContact O-N 3.25Å; D283-L287 VanDerWaalsContact O-CG 3.29Å; D283-L287 WeakPolarHBondContact O-CG 3.33Å; D283-L287 PolarHBondContact O-N 3.08Å; D283-L287 VanDerWaalsContact O-N 3.12Å; D283-L349 HydrophobicContact CB-CD1 3.8Å; D283-Y359 WeakPolarHBondContact OD2-CE2 3.44Å; D283-Y359 VanDerWaalsContact OD2-CZ 3.26Å; D283-Y359 PolarHBondContact OD2-OH 3.48Å; D283-R508 IonicContact OD1-CZ 3.4Å; D283-R508 IonicContact OD1-NH1 2.71Å; D283-R508 PolarHBondContact OD1-NH1 2.63Å; D283-R508 IonicContact OD1-NH2 3.66Å; D283-R508 PolarHBondContact OD1-NH2 3.35Å; D283-R508 VanDerWaalsContact OD1-NH2 3.08Å; D283-R508 IonicContact OD2-CZ 3.48Å; D283-R508 IonicContact OD2-NH1 3.89Å; D283-R508 PolarHBondContact OD2-NH1 2.88Å; D283-R508 IonicContact OD2-NH2 3.7Å
284A97.5Very high96.5Very high0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-67.4-37.4174.800000112.8M280 I281 I282 L287 I288 A346 L349 M350M280-A284 PolarHBondContact O-N 3.39Å; I281-A284 WeakPolarHBondContact O-CB 3.42Å; I281-A284 PolarHBondContact O-N 3.47Å; I281-A284 VanDerWaalsContact O-N 3.16Å; I282-A284 PolarHBondContact O-N 3.4Å; A284-L287 PolarHBondContact O-N 3.29Å; A284-I288 PolarHBondContact O-N 2.89Å; A284-A346 HydrophobicContact CB-CB 4.11Å; A284-L349 HydrophobicContact CB-CB 4.29Å; A284-L349 HydrophobicContact CB-CD1 4.04Å; A284-M350 HydrophobicContact CB-CE 3.47Å; A284-M350 VanDerWaalsContact CB-CE 3.47Å
285L97.9Very high96.5Very high1 Ų119.2 Ų19.21%0.00511%0.106CC..Hα-helixtrans-65.9-42.5173.9-67174.2000111.4W107 F110 I281 I282 L287 I288 E289 L294 L320 I324W107-L285 HydrophobicContact CE3-CD1 4.4Å; W107-L285 HydrophobicContact CZ3-CD1 4.23Å; W107-L285 HydrophobicContact CZ3-CD2 4.23Å; F110-L285 HydrophobicContact CB-CD1 4.15Å; F110-L285 HydrophobicContact CD1-CD1 4.15Å; F110-L285 HydrophobicContact CD2-CB 3.63Å; F110-L285 HydrophobicContact CD2-CD1 4.2Å; F110-L285 HydrophobicContact CE1-CB 4.42Å; F110-L285 HydrophobicContact CE2-CB 3.52Å; F110-L285 HydrophobicContact CG-CB 4.14Å; F110-L285 HydrophobicContact CG-CD1 3.87Å; F110-L285 HydrophobicContact CZ-CB 3.94Å; I281-L285 HydrophobicContact CG2-CD1 4.15Å; I281-L285 HydrophobicContact CG2-CG 4.39Å; I281-L285 WeakPolarHBondContact O-CG 3.36Å; I281-L285 PolarHBondContact O-N 3.19Å; I282-L285 CarbonylContact O-C 3.54Å; I282-L285 WeakPolarHBondContact O-CA 3.38Å; I282-L285 WeakPolarHBondContact O-CB 3.35Å; I282-L285 PolarHBondContact O-N 3.04Å; L285-L287 VanDerWaalsContact C-N 3.26Å; L285-L287 PolarHBondContact O-N 3.14Å; L285-I288 HydrophobicContact CD2-CD1 4.16Å; L285-I288 WeakPolarHBondContact O-CG1 3.39Å; L285-I288 PolarHBondContact O-N 3.22Å; L285-E289 WeakPolarHBondContact O-CB 3.32Å; L285-E289 PolarHBondContact O-N 3.33Å; L285-L294 HydrophobicContact CD2-CD1 4.06Å; L285-L320 HydrophobicContact CD2-CD2 3.73Å; L285-L320 HydrophobicContact CD2-CG 4.48Å; L285-I324 HydrophobicContact CD2-CD1 4.16Å
286E97.2Very high96.5Very high60 Ų6020.7 Ų20.728%0.2812%0.117SC..Hα-helixtrans-61.4-34.3175.5-64.1-63.5176.300112.4F110 I282 D283 P290 R295F110-E286 HydrophobicContact CE2-CG 4.46Å; I282-E286 HydrophobicContact CG2-CG 4.1Å; I282-E286 WeakPolarHBondContact O-CG 3.48Å; I282-E286 PolarHBondContact O-N 2.7Å; D283-E286 PolarHBondContact O-N 3.25Å; E286-P290 WeakPolarHBondContact O-CD 3.37Å; E286-R295 IonicContact OE1-CZ 2.69Å; E286-R295 IonicContact OE1-NH1 2.73Å; E286-R295 IonicContact OE1-NH2 3.7Å; E286-R295 PolarHBondContact OE1-NH2 3.16Å; E286-R295 IonicContact OE2-CZ 3.62Å; E286-R295 IonicContact OE2-NH1 3.63Å; E286-R295 PolarHBondContact OE2-NH1 2.9Å; E286-R295 IonicContact OE2-NH2 2.8Å; E286-R295 PolarHBondContact OE2-NH2 3.39Å
287L96.2Very high96.4Very high29 Ų2922.3 Ų22.315%0.15213%0.125CC..Hα-helixtrans-67.4-38.7177.1-75.5167.1000112.3D283 A284 L285 R342 Q345 A346 L349D283-L287 VanDerWaalsContact O-CG 3.29Å; D283-L287 WeakPolarHBondContact O-CG 3.33Å; D283-L287 PolarHBondContact O-N 3.08Å; D283-L287 VanDerWaalsContact O-N 3.12Å; A284-L287 PolarHBondContact O-N 3.29Å; L285-L287 VanDerWaalsContact C-N 3.26Å; L285-L287 PolarHBondContact O-N 3.14Å; L287-R342 HydrophobicContact CB-CB 4.44Å; L287-R342 HydrophobicContact CD2-CB 4.35Å; L287-R342 HydrophobicContact CD2-CG 4.49Å; L287-R342 WeakPolarHBondContact O-CB 3.31Å; L287-Q345 HydrophobicContact CD1-CB 3.69Å; L287-Q345 HydrophobicContact CD2-CB 4.3Å; L287-Q345 VanDerWaalsContact CD2-OE1 3.31Å; L287-A346 HydrophobicContact CB-CB 4.07Å; L287-A346 HydrophobicContact CD1-CB 4.23Å; L287-L349 HydrophobicContact CD1-CD1 3.91Å
288I96.3Very high96.4Very high0 Ų022.3 Ų22.30%013%0.125CC..Hα-helixtrans-92.4-11.9-179.170.7-177.3000113.6A284 L285 V291 L292 L294 I324 L331 A346A284-I288 PolarHBondContact O-N 2.89Å; L285-I288 HydrophobicContact CD2-CD1 4.16Å; L285-I288 WeakPolarHBondContact O-CG1 3.39Å; L285-I288 PolarHBondContact O-N 3.22Å; I288-V291 WeakPolarHBondContact O-CA 3.27Å; I288-V291 VanDerWaalsContact O-CB 3.23Å; I288-V291 WeakPolarHBondContact O-CB 2.89Å; I288-V291 PolarHBondContact O-N 2.85Å; I288-L292 HydrophobicContact CD1-CD1 3.85Å; I288-L292 HydrophobicContact CG1-CD1 4.27Å; I288-L292 PolarHBondContact O-N 3.21Å; I288-L294 HydrophobicContact CD1-CD1 4.25Å; I288-L294 HydrophobicContact CG1-CD1 4.27Å; I288-I324 HydrophobicContact CD1-CD1 3.56Å; I288-I324 HydrophobicContact CD1-CG1 3.61Å; I288-L331 HydrophobicContact CB-CD2 4.3Å; I288-L331 HydrophobicContact CG2-CD2 4.23Å; I288-A346 HydrophobicContact CG2-CB 3.73Å
289E96.4Very high96.4Very high17 Ų1721.9 Ų21.98%0.07912%0.121CC..Hα-helixtrans-54.1-46.3-177.7175.358.8-166.600113.2F110 L285 V291 L292 N293 L294 R295F110-E289 HydrophobicContact CE2-CB 4.45Å; F110-E289 HydrophobicContact CZ-CB 4.06Å; F110-E289 HydrophobicContact CZ-CG 4.23Å; F110-E289 WeakPolarHBondContact CZ-OE2 3.25Å; L285-E289 WeakPolarHBondContact O-CB 3.32Å; L285-E289 PolarHBondContact O-N 3.33Å; E289-V291 PolarHBondContact O-N 3.45Å; E289-L292 PolarHBondContact O-N 2.82Å; E289-N293 WeakPolarHBondContact O-CA 3.41Å; E289-N293 PolarHBondContact O-N 2.95Å; E289-L294 PolarHBondContact OE1-N 2.97Å; E289-L294 WeakPolarHBondContact OE2-CA 3.27Å; E289-L294 WeakPolarHBondContact OE2-CB 3.45Å; E289-L294 PolarHBondContact OE2-N 3.11Å; E289-R295 HydrophobicContact CG-CG 4.38Å; E289-R295 WeakPolarHBondContact OE1-CB 3.39Å; E289-R295 WeakPolarHBondContact OE1-CG 3.49Å; E289-R295 PolarHBondContact OE1-N 3.15Å; E289-R295 PolarHBondContact OE2-N 3.47Å
290P94.3Very high96.3Very high60 Ų6025.5 Ų25.539%0.3914%0.137SC..Hα-helixtrans-61.6-12.5177.4-23.435.2000114.5E286 F339E286-P290 WeakPolarHBondContact O-CD 3.37Å; P290-F339 HydrophobicContact CB-CE1 3.95Å
291V92.2Very high96.3Very high26 Ų2625.5 Ų25.516%0.15814%0.137CC..Hα-helixtrans-99.5-41.1-177-169.60000111.3I288 E289 V334 F339 I343I288-V291 WeakPolarHBondContact O-CA 3.27Å; I288-V291 VanDerWaalsContact O-CB 3.23Å; I288-V291 WeakPolarHBondContact O-CB 2.89Å; I288-V291 PolarHBondContact O-N 2.85Å; E289-V291 PolarHBondContact O-N 3.45Å; V291-V334 HydrophobicContact CG1-CB 4.18Å; V291-V334 HydrophobicContact CG1-CG1 3.87Å; V291-V334 HydrophobicContact CG1-CG2 3.27Å; V291-F339 HydrophobicContact CG2-CB 3.7Å; V291-F339 HydrophobicContact CG2-CD1 3.72Å; V291-F339 HydrophobicContact CG2-CD2 4.4Å; V291-F339 HydrophobicContact CG2-CE1 4.45Å; V291-F339 HydrophobicContact CG2-CG 3.7Å; V291-I343 HydrophobicContact CG1-CD1 4.37Å
292L93.5Very high96.2Very high28 Ų2826.8 Ų26.815%0.14714%0.142CC..Hα-helixtrans-104.3-14.2-172.2-63.4-172.1000113.9I288 E289 L294 L331I288-L292 HydrophobicContact CD1-CD1 3.85Å; I288-L292 HydrophobicContact CG1-CD1 4.27Å; I288-L292 PolarHBondContact O-N 3.21Å; E289-L292 PolarHBondContact O-N 2.82Å; L292-L294 HydrophobicContact CB-CD1 4.45Å; L292-L294 HydrophobicContact CB-CD2 3.7Å; L292-L294 HydrophobicContact CB-CG 3.79Å; L292-L294 HydrophobicContact CD1-CD2 4.1Å; L292-L294 PolarHBondContact O-N 3.43Å; L292-L331 HydrophobicContact CD1-CD2 3.84Å; L292-L331 HydrophobicContact CD1-CG 4.09Å; L292-L331 HydrophobicContact CD2-CD2 3.89Å; L292-L331 HydrophobicContact CD2-CG 4.31Å; L292-L331 HydrophobicContact CG-CD2 3.88Å
293N95.5Very high96.1Very high90 Ų9032.6 Ų32.648%0.48117%0.168SC..  trans50.343.6-178.6-55.3-57.1000112.5E289 R295 S296 I297E289-N293 WeakPolarHBondContact O-CA 3.41Å; E289-N293 PolarHBondContact O-N 2.95Å; N293-R295 PolarHBondContact O-N 3.46Å; N293-S296 WeakPolarHBondContact O-CB 3.47Å; N293-S296 PolarHBondContact O-N 3.14Å; N293-I297 WeakPolarHBondContact O-CG1 3.44Å; N293-I297 PolarHBondContact O-N 3.24Å
294L96.7Very high95.6Very high3 Ų333.6 Ų33.62%0.01618%0.176CC..Hα-helixtrans-63-31.4-174.2-53.8166.6000111W107 F110 L285 I288 E289 L292 S298 L316 L320W107-L294 HydrophobicContact CH2-CB 3.78Å; W107-L294 HydrophobicContact CH2-CD1 3.87Å; W107-L294 HydrophobicContact CH2-CD2 4.14Å; W107-L294 HydrophobicContact CH2-CG 4.13Å; W107-L294 HydrophobicContact CZ2-CB 3.94Å; W107-L294 HydrophobicContact CZ3-CD1 4.44Å; F110-L294 HydrophobicContact CE1-CB 4Å; F110-L294 HydrophobicContact CE1-CD1 4.25Å; F110-L294 HydrophobicContact CZ-CB 4.48Å; F110-L294 HydrophobicContact CZ-CD1 4.37Å; L285-L294 HydrophobicContact CD2-CD1 4.06Å; I288-L294 HydrophobicContact CD1-CD1 4.25Å; I288-L294 HydrophobicContact CG1-CD1 4.27Å; E289-L294 PolarHBondContact OE1-N 2.97Å; E289-L294 WeakPolarHBondContact OE2-CA 3.27Å; E289-L294 WeakPolarHBondContact OE2-CB 3.45Å; E289-L294 PolarHBondContact OE2-N 3.11Å; L292-L294 HydrophobicContact CB-CD1 4.45Å; L292-L294 HydrophobicContact CB-CD2 3.7Å; L292-L294 HydrophobicContact CB-CG 3.79Å; L292-L294 HydrophobicContact CD1-CD2 4.1Å; L292-L294 PolarHBondContact O-N 3.43Å; L294-S298 WeakPolarHBondContact O-CB 3.44Å; L294-S298 PolarHBondContact O-N 2.91Å; L294-S298 PolarHBondContact O-OG 2.92Å; L294-L316 HydrophobicContact CD2-CD2 4.24Å; L294-L320 HydrophobicContact CD1-CD2 4.38Å
295R97.2Very high94.8Very high18 Ų1841.7 Ų41.77%0.06821%0.214CC..Hα-helixtrans-67-43.3173.1-65-177.2169.7111.22.6112.4F110 I111 Y118 E286 E289 N293 S298 M299F110-R295 HydrophobicContact CE1-CG 4.13Å; F110-R295 HydrophobicContact CZ-CG 4.2Å; F110-R295 PolarHBondContact O-NE 3.27Å; F110-R295 PolarHBondContact O-NH2 3.39Å; I111-R295 HydrophobicContact CD1-CB 4.34Å; I111-R295 HydrophobicContact CD1-CG 3.94Å; Y118-R295 HydrophobicContact CD1-CB 3.89Å; Y118-R295 HydrophobicContact CD1-CG 4.48Å; Y118-R295 HydrophobicContact CE1-CB 3.46Å; Y118-R295 VanDerWaalsContact CE1-CB 3.46Å; Y118-R295 HydrophobicContact CE1-CG 4.36Å; E286-R295 IonicContact OE1-CZ 2.69Å; E286-R295 IonicContact OE1-NH1 2.73Å; E286-R295 IonicContact OE1-NH2 3.7Å; E286-R295 PolarHBondContact OE1-NH2 3.16Å; E286-R295 IonicContact OE2-CZ 3.62Å; E286-R295 IonicContact OE2-NH1 3.63Å; E286-R295 PolarHBondContact OE2-NH1 2.9Å; E286-R295 IonicContact OE2-NH2 2.8Å; E286-R295 PolarHBondContact OE2-NH2 3.39Å; E289-R295 HydrophobicContact CG-CG 4.38Å; E289-R295 WeakPolarHBondContact OE1-CB 3.39Å; E289-R295 WeakPolarHBondContact OE1-CG 3.49Å; E289-R295 PolarHBondContact OE1-N 3.15Å; E289-R295 PolarHBondContact OE2-N 3.47Å; N293-R295 PolarHBondContact O-N 3.46Å; R295-S298 PolarHBondContact O-N 3.35Å; R295-M299 WeakPolarHBondContact O-CB 3.43Å; R295-M299 WeakPolarHBondContact O-CG 3.4Å; R295-M299 PolarHBondContact O-N 3.14Å
296S95.6Very high93.9Very high49 Ų4945 Ų4534%0.34323%0.231SC..Hα-helixtrans-60.9-49.8176-159.70000110.6N293 S298 M299 E300N293-S296 WeakPolarHBondContact O-CB 3.47Å; N293-S296 PolarHBondContact O-N 3.14Å; S296-S298 VanDerWaalsContact C-N 3.29Å; S296-S298 PolarHBondContact O-N 2.78Å; S296-M299 PolarHBondContact O-N 3.36Å; S296-M299 VanDerWaalsContact O-N 3.15Å; S296-E300 WeakPolarHBondContact O-CB 3.42Å; S296-E300 VanDerWaalsContact O-CG 3.27Å; S296-E300 WeakPolarHBondContact O-CG 3.35Å; S296-E300 PolarHBondContact O-N 3.23Å; S296-E300 PolarHBondContact OG-OE1 2.85Å
297I96.1Very high93.1Very high37 Ų3746.4 Ų46.419%0.1925%0.246CC..Hα-helixtrans-55.1-46.9178.4-66.5168.4000110.8N293 E300 A301 D312 F313 L316N293-I297 WeakPolarHBondContact O-CG1 3.44Å; N293-I297 PolarHBondContact O-N 3.24Å; I297-E300 PolarHBondContact O-N 3.07Å; I297-A301 WeakPolarHBondContact O-CB 3.43Å; I297-A301 PolarHBondContact O-N 2.98Å; I297-D312 HydrophobicContact CG2-CB 4.05Å; I297-F313 HydrophobicContact CG2-CB 4.14Å; I297-L316 HydrophobicContact CG2-CD1 4.07Å
298S97.3Very high92.6Very high0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-66.9-40.8-179.6-56.50000112.1W107 I111 Y121 L294 R295 S296 A301 F302W107-S298 PolarHBondContact NE1-OG 3.06Å; I111-S298 WeakPolarHBondContact CD1-OG 3.27Å; Y121-S298 WeakPolarHBondContact CE2-O 3.44Å; L294-S298 WeakPolarHBondContact O-CB 3.44Å; L294-S298 PolarHBondContact O-N 2.91Å; L294-S298 PolarHBondContact O-OG 2.92Å; R295-S298 PolarHBondContact O-N 3.35Å; S296-S298 VanDerWaalsContact C-N 3.29Å; S296-S298 PolarHBondContact O-N 2.78Å; S298-A301 PolarHBondContact O-N 3.48Å; S298-F302 WeakPolarHBondContact O-CB 3.49Å; S298-F302 PolarHBondContact O-N 2.97Å
299M96.6Very high92.3Very high12 Ų1250.3 Ų50.36%0.05927%0.268CS..Hα-helixtrans-70.5-35.6177.6-74.3-55.7-62.300113.3E117 Y118 Y121 R295 S296 F302 K303E117-M299 WeakPolarHBondContact O-CE 3.49Å; Y118-M299 HydrophobicContact CD1-CG 3.32Å; Y118-M299 HydrophobicContact CD1-SD 3.98Å; Y118-M299 HydrophobicContact CE1-CG 3.68Å; Y118-M299 HydrophobicContact CG-CG 4.49Å; Y121-M299 HydrophobicContact CD2-SD 4.15Å; Y121-M299 HydrophobicContact CG-SD 4.44Å; R295-M299 WeakPolarHBondContact O-CB 3.43Å; R295-M299 WeakPolarHBondContact O-CG 3.4Å; R295-M299 PolarHBondContact O-N 3.14Å; S296-M299 PolarHBondContact O-N 3.36Å; S296-M299 VanDerWaalsContact O-N 3.15Å; M299-F302 HydrophobicContact CE-CD1 3.95Å; M299-F302 HydrophobicContact CE-CE1 4.49Å; M299-F302 PolarHBondContact O-N 3.3Å; M299-K303 WeakPolarHBondContact O-CB 3.39Å; M299-K303 VanDerWaalsContact O-CG 3.3Å; M299-K303 WeakPolarHBondContact O-CG 3.47Å; M299-K303 PolarHBondContact O-N 3.38Å
300E96.1Very high92.2Very high80 Ų8049.6 Ų49.637%0.37427%0.265SS..Hα-helixtrans-67.1-39.2175.1-71.2171.4-152.200111.1S296 I297 K303 C304 S309S296-E300 WeakPolarHBondContact O-CB 3.42Å; S296-E300 VanDerWaalsContact O-CG 3.27Å; S296-E300 WeakPolarHBondContact O-CG 3.35Å; S296-E300 PolarHBondContact O-N 3.23Å; S296-E300 PolarHBondContact OG-OE1 2.85Å; I297-E300 PolarHBondContact O-N 3.07Å; E300-K303 PolarHBondContact O-N 2.89Å; E300-C304 WeakPolarHBondContact O-CA 3.36Å; E300-C304 PolarHBondContact O-N 3.06Å; E300-S309 PolarHBondContact OE2-OG 3.43Å
301A96.7Very high92.3Very high0 Ų049.7 Ų49.70%026%0.262CS..Hα-helixtrans-64.5-40.217100000112.4I297 S298 C304 L310 F313I297-A301 WeakPolarHBondContact O-CB 3.43Å; I297-A301 PolarHBondContact O-N 2.98Å; S298-A301 PolarHBondContact O-N 3.48Å; A301-C304 PolarHBondContact O-N 2.92Å; A301-L310 HydrophobicContact CB-CD1 3.99Å; A301-F313 HydrophobicContact CB-CB 3.51Å; A301-F313 HydrophobicContact CB-CD1 4.47Å; A301-F313 HydrophobicContact CB-CD2 4.31Å; A301-F313 HydrophobicContact CB-CG 3.85Å
302F96.4Very high92.4Very high29 Ų2951.5 Ų51.513%0.12727%0.271CS..Hα-helixtrans-63.8-41.4174.7174.3-99.7000113E120 Y121 N122 T125 V126 H129 S298 M299 C304E120-F302 HydrophobicContact CB-CE1 4.26Å; E120-F302 HydrophobicContact CB-CZ 4.24Å; E120-F302 WeakPolarHBondContact O-CZ 3.29Å; Y121-F302 HydrophobicContact CD2-CB 3.83Å; Y121-F302 HydrophobicContact CD2-CD2 4.39Å; Y121-F302 HydrophobicContact CD2-CG 4.25Å; Y121-F302 HydrophobicContact CE2-CB 4.21Å; N122-F302 WeakPolarHBondContact ND2-CE2 3.5Å; T125-F302 VanDerWaalsContact CB-CE2 3.47Å; T125-F302 HydrophobicContact CG2-CD2 3.77Å; T125-F302 HydrophobicContact CG2-CE2 3.61Å; T125-F302 HydrophobicContact CG2-CZ 4.37Å; T125-F302 WeakPolarHBondContact OG1-CE2 3.43Å; V126-F302 HydrophobicContact CG2-CB 4.17Å; V126-F302 HydrophobicContact CG2-CD2 4.43Å; H129-F302 PolarHBondContact NE2-O 3.48Å; S298-F302 WeakPolarHBondContact O-CB 3.49Å; S298-F302 PolarHBondContact O-N 2.97Å; M299-F302 HydrophobicContact CE-CD1 3.95Å; M299-F302 HydrophobicContact CE-CE1 4.49Å; M299-F302 PolarHBondContact O-N 3.3Å; F302-C304 VanDerWaalsContact C-N 3.32Å
303K95.1Very high92.5Very high123 Ų12350.2 Ų50.254%0.53526%0.264SS..Hα-helixtrans-76.3-22.4176.3-68.1172.6-177174.60112.4M299 E300 Q305M299-K303 WeakPolarHBondContact O-CB 3.39Å; M299-K303 VanDerWaalsContact O-CG 3.3Å; M299-K303 WeakPolarHBondContact O-CG 3.47Å; M299-K303 PolarHBondContact O-N 3.38Å; E300-K303 PolarHBondContact O-N 2.89Å; K303-Q305 VanDerWaalsContact C-N 3.26Å; K303-Q305 HydrophobicContact CB-CG 4.11Å; K303-Q305 PolarHBondContact O-N 3.35Å; K303-Q305 VanDerWaalsContact O-N 3.16Å
304C87.4Confident92.6Very high43 Ų4347 Ų4729%0.29125%0.246SC..THydrogen-bonded Turntrans46.243.5178.7-167.50000114.1H129 E300 A301 F302H129-C304 HydrophobicContact CB-CB 4.19Å; H129-C304 VanDerWaalsContact CE1-CB 3.43Å; H129-C304 WeakPolarHBondContact CE1-CB 3.44Å; H129-C304 VanDerWaalsContact CG-CB 3.47Å; H129-C304 WeakPolarHBondContact ND1-CB 3.37Å; E300-C304 WeakPolarHBondContact O-CA 3.36Å; E300-C304 PolarHBondContact O-N 3.06Å; A301-C304 PolarHBondContact O-N 2.92Å; F302-C304 VanDerWaalsContact C-N 3.32Å
305Q79.4Confident92.5Very high170 Ų17053.3 Ų53.379%0.79427%0.274SS*.  trans-78.7-28.1-178.6-67.4179-7.200113K303K303-Q305 VanDerWaalsContact C-N 3.26Å; K303-Q305 HydrophobicContact CB-CG 4.11Å; K303-Q305 PolarHBondContact O-N 3.35Å; K303-Q305 VanDerWaalsContact O-N 3.16Å
306N80.8Confident92.5Very high70 Ų7053.6 Ų53.637%0.37428%0.277SS..SBendtrans-129.8129.9177.5-179.1-2.4000109.1D308 S309N306-D308 PolarHBondContact O-N 2.95Å; N306-D308 VanDerWaalsContact O-N 3.17Å; N306-D308 PolarHBondContact OD1-N 3.14Å; N306-S309 WeakPolarHBondContact O-CB 3.21Å; N306-S309 PolarHBondContact O-N 3.43Å; N306-S309 VanDerWaalsContact O-N 3.1Å
307P78.6Confident92.6Very high91 Ų9153.7 Ų53.759%0.59127%0.271SS*.Hα-helixtrans-50.2-34.3171.7-28.935.3000114.3S309 L310 N311P307-S309 VanDerWaalsContact C-N 3.32Å; P307-S309 PolarHBondContact O-N 3.42Å; P307-L310 PolarHBondContact O-N 2.86Å; P307-N311 PolarHBondContact O-N 3.33Å
308D87Confident92.6Very high99 Ų9952.8 Ų52.853%0.52927%0.267SS..Hα-helixtrans-66.1-32.6-179.8-66.8-33000113N306 L310 N311 D312N306-D308 PolarHBondContact O-N 2.95Å; N306-D308 VanDerWaalsContact O-N 3.17Å; N306-D308 PolarHBondContact OD1-N 3.14Å; D308-L310 PolarHBondContact O-N 3.24Å; D308-N311 WeakPolarHBondContact O-CB 3.13Å; D308-N311 PolarHBondContact O-N 3.27Å; D308-N311 VanDerWaalsContact O-N 3.11Å; D308-D312 PolarHBondContact O-N 3.29Å; D308-D312 VanDerWaalsContact O-N 3.09Å
309S90.4Very high92.5Very high11 Ų1154.3 Ų54.38%0.07728%0.278CS..Hα-helixtrans-62.4-34.6178.8-61.50000112E300 N306 P307 D312 F313E300-S309 PolarHBondContact OE2-OG 3.43Å; N306-S309 WeakPolarHBondContact O-CB 3.21Å; N306-S309 PolarHBondContact O-N 3.43Å; N306-S309 VanDerWaalsContact O-N 3.1Å; P307-S309 VanDerWaalsContact C-N 3.32Å; P307-S309 PolarHBondContact O-N 3.42Å; S309-D312 PolarHBondContact O-N 2.89Å; S309-F313 PolarHBondContact O-N 3.04Å
310L94.1Very high92.5Very high3 Ų354.3 Ų54.32%0.01628%0.278CS..Hα-helixtrans-70.8-37.5176.5-168.357.2000111.4V126 H129 V130 Q133 A301 P307 D308 D312 F313 L314V126-L310 HydrophobicContact CG1-CD1 4.12Å; H129-L310 HydrophobicContact CB-CD1 4.48Å; H129-L310 HydrophobicContact CB-CD2 3.99Å; V130-L310 HydrophobicContact CG2-CD1 3.78Å; V130-L310 HydrophobicContact CG2-CD2 4.28Å; V130-L310 HydrophobicContact CG2-CG 4.28Å; Q133-L310 HydrophobicContact CB-CD2 4.06Å; A301-L310 HydrophobicContact CB-CD1 3.99Å; P307-L310 PolarHBondContact O-N 2.86Å; D308-L310 PolarHBondContact O-N 3.24Å; L310-D312 VanDerWaalsContact C-N 3.3Å; L310-D312 PolarHBondContact O-N 2.83Å; L310-F313 PolarHBondContact O-N 2.76Å; L310-L314 HydrophobicContact CG-CD1 4.14Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.28Å; L310-L314 PolarHBondContact O-N 3.39Å
311N95Very high92.5Very high62 Ų6250.7 Ų50.733%0.33226%0.261SS..Hα-helixtrans-63.2-34.9174.9-69.6-38000112.5Q133 P307 D308 L314 K315Q133-N311 PolarHBondContact NE2-OD1 3.22Å; P307-N311 PolarHBondContact O-N 3.33Å; D308-N311 WeakPolarHBondContact O-CB 3.13Å; D308-N311 PolarHBondContact O-N 3.27Å; D308-N311 VanDerWaalsContact O-N 3.11Å; N311-L314 PolarHBondContact O-N 3.34Å; N311-K315 WeakPolarHBondContact O-CG 3.38Å; N311-K315 PolarHBondContact O-N 2.61Å
312D94.7Very high92.4Very high64 Ų6456 Ų5634%0.34228%0.281SS..Hα-helixtrans-69.2-40.5175-76-23.9000112.4I297 D308 S309 L310 K315I297-D312 HydrophobicContact CG2-CB 4.05Å; D308-D312 PolarHBondContact O-N 3.29Å; D308-D312 VanDerWaalsContact O-N 3.09Å; S309-D312 PolarHBondContact O-N 2.89Å; L310-D312 VanDerWaalsContact C-N 3.3Å; L310-D312 PolarHBondContact O-N 2.83Å; D312-K315 PolarHBondContact O-N 3.4Å; D312-K315 IonicContact OD1-NZ 3.08Å; D312-K315 PolarHBondContact OD1-NZ 3.35Å
313F96.7Very high92.4Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-62.7-41.6172.2174.6-94.9000112.5G99 Y121 V126 I297 A301 S309 L310 K315 L316G99-F313 VanDerWaalsContact O-CZ 3.26Å; G99-F313 WeakPolarHBondContact O-CZ 3.23Å; Y121-F313 WeakPolarHBondContact OH-CE2 3.15Å; V126-F313 HydrophobicContact CG1-CD1 3.89Å; V126-F313 HydrophobicContact CG1-CE1 3.61Å; V126-F313 HydrophobicContact CG1-CZ 4.13Å; I297-F313 HydrophobicContact CG2-CB 4.14Å; A301-F313 HydrophobicContact CB-CB 3.51Å; A301-F313 HydrophobicContact CB-CD1 4.47Å; A301-F313 HydrophobicContact CB-CD2 4.31Å; A301-F313 HydrophobicContact CB-CG 3.85Å; S309-F313 PolarHBondContact O-N 3.04Å; L310-F313 PolarHBondContact O-N 2.76Å; F313-K315 PolarHBondContact O-N 2.79Å; F313-K315 VanDerWaalsContact O-N 3.17Å; F313-L316 HydrophobicContact CD2-CD1 4.46Å; F313-L316 VanDerWaalsContact O-CB 3.3Å; F313-L316 WeakPolarHBondContact O-CB 3.06Å; F313-L316 PolarHBondContact O-N 2.83Å
314L96.7Very high92.5Very high22 Ų2251 Ų5112%0.11526%0.262CS..Hα-helixtrans-65-17.7-180-73.1166.1000113.4E28 R31 V130 L310 N311 L316E28-L314 HydrophobicContact CB-CD2 4.24Å; E28-L314 HydrophobicContact CG-CD1 3.59Å; E28-L314 HydrophobicContact CG-CD2 4.16Å; E28-L314 HydrophobicContact CG-CG 4.5Å; R31-L314 WeakPolarHBondContact CD-O 3.15Å; R31-L314 PolarHBondContact NE-O 3.05Å; V130-L314 HydrophobicContact CG1-CD2 4.07Å; V130-L314 HydrophobicContact CG2-CD2 3.97Å; L310-L314 HydrophobicContact CG-CD1 4.14Å; L310-L314 WeakPolarHBondContact O-CB 3.48Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.28Å; L310-L314 PolarHBondContact O-N 3.39Å; N311-L314 PolarHBondContact O-N 3.34Å; L314-L316 VanDerWaalsContact C-N 3.26Å; L314-L316 PolarHBondContact O-N 3.12Å
315K95.5Very high92.9Very high137 Ų13751.1 Ų51.160%0.59626%0.257SS*.THydrogen-bonded Turntrans-74.6-14.8171.1-66.6163.9-165.51630113.1N311 D312 F313 H317N311-K315 WeakPolarHBondContact O-CG 3.38Å; N311-K315 PolarHBondContact O-N 2.61Å; D312-K315 PolarHBondContact O-N 3.4Å; D312-K315 IonicContact OD1-NZ 3.08Å; D312-K315 PolarHBondContact OD1-NZ 3.35Å; F313-K315 PolarHBondContact O-N 2.79Å; F313-K315 VanDerWaalsContact O-N 3.17Å; K315-H317 PolarHBondContact O-CD2 3.47Å
316L96.6Very high93.7Very high24 Ų2448.6 Ų48.613%0.12624%0.241CC..  trans-87.3126.2-178.5-54.2178.3000110.4R31 P102 W107 L294 I297 F313 L314R31-L316 VanDerWaalsContact CZ-O 3.29Å; R31-L316 PolarHBondContact NE-O 3.36Å; R31-L316 VanDerWaalsContact NE-O 3.07Å; R31-L316 PolarHBondContact NH2-O 2.94Å; P102-L316 HydrophobicContact CG-CB 3.79Å; W107-L316 HydrophobicContact CH2-CD1 4.17Å; W107-L316 HydrophobicContact CZ2-CD1 3.72Å; L294-L316 HydrophobicContact CD2-CD2 4.24Å; I297-L316 HydrophobicContact CG2-CD1 4.07Å; F313-L316 HydrophobicContact CD2-CD1 4.46Å; F313-L316 VanDerWaalsContact O-CB 3.3Å; F313-L316 WeakPolarHBondContact O-CB 3.06Å; F313-L316 PolarHBondContact O-N 2.83Å; L314-L316 VanDerWaalsContact C-N 3.26Å; L314-L316 PolarHBondContact O-N 3.12Å
317H96.7Very high94.3Very high50 Ų5045.9 Ų45.923%0.23123%0.23CC..SBendtrans-153.4-174.4171.452.689.1000110.2E34 I35 K315 S319 L320E34-H317 HydrophobicContact CB-CB 3.88Å; I35-H317 HydrophobicContact CG1-CB 4.13Å; K315-H317 PolarHBondContact O-CD2 3.47Å; H317-S319 VanDerWaalsContact CE1-CB 3.42Å; H317-S319 WeakPolarHBondContact CE1-CB 3.22Å; H317-S319 PolarHBondContact CE1-OG 3.29Å; H317-S319 PolarHBondContact ND1-OG 2.91Å; H317-S319 PolarHBondContact O-N 2.81Å; H317-L320 WeakPolarHBondContact O-CB 3.41Å; H317-L320 PolarHBondContact O-N 3.31Å; H317-L320 VanDerWaalsContact O-N 3.09Å
318D97.6Very high94.9Very high18 Ų1848.2 Ų48.210%0.09623%0.227CC..THydrogen-bonded Turntrans-64.6-11.4-169.8-66.42.7000113.9E34 K36 P102 F103 L320 L321E34-D318 VanDerWaalsContact O-CB 3.23Å; E34-D318 WeakPolarHBondContact O-CB 3.43Å; E34-D318 VanDerWaalsContact O-CG 3.26Å; E34-D318 PolarHBondContact O-N 2.89Å; K36-D318 WeakPolarHBondContact CB-OD2 3.38Å; K36-D318 WeakPolarHBondContact CG-OD2 3.34Å; K36-D318 PolarHBondContact N-OD2 3.17Å; P102-D318 WeakPolarHBondContact CA-OD1 3.46Å; F103-D318 HydrophobicContact CD1-CB 4.24Å; F103-D318 HydrophobicContact CE1-CB 3.98Å; F103-D318 PolarHBondContact N-OD1 3.4Å; D318-L320 PolarHBondContact O-N 3.35Å; D318-L320 VanDerWaalsContact O-N 3.12Å; D318-L321 PolarHBondContact O-N 3.19Å
319S95.3Very high95Very high33 Ų3345.6 Ų45.623%0.23122%0.224CC..THydrogen-bonded Turntrans-60.4-19.6172.672.20000112.8H317 L321 W322 D323H317-S319 VanDerWaalsContact CE1-CB 3.42Å; H317-S319 WeakPolarHBondContact CE1-CB 3.22Å; H317-S319 PolarHBondContact CE1-OG 3.29Å; H317-S319 PolarHBondContact ND1-OG 2.91Å; H317-S319 PolarHBondContact O-N 2.81Å; S319-L321 PolarHBondContact O-N 2.87Å; S319-W322 WeakPolarHBondContact O-CA 3.27Å; S319-W322 WeakPolarHBondContact O-CB 3.45Å; S319-W322 PolarHBondContact O-N 3.42Å; S319-D323 PolarHBondContact O-N 2.89Å; S319-D323 PolarHBondContact OG-OD2 3.36Å
320L95.5Very high94.8Very high11 Ų1148.9 Ų48.96%0.05825%0.247CC..Hα-helixtrans-51.3-32.5175.7-17760.5000111.8P102 W107 L285 L294 H317 D318 W322 D323 I324P102-L320 HydrophobicContact CB-CD2 4.49Å; P102-L320 HydrophobicContact CG-CD2 4.32Å; W107-L320 HydrophobicContact CH2-CD2 3.99Å; W107-L320 HydrophobicContact CZ3-CD2 3.69Å; L285-L320 HydrophobicContact CD2-CD2 3.73Å; L285-L320 HydrophobicContact CD2-CG 4.48Å; L294-L320 HydrophobicContact CD1-CD2 4.38Å; H317-L320 WeakPolarHBondContact O-CB 3.41Å; H317-L320 PolarHBondContact O-N 3.31Å; H317-L320 VanDerWaalsContact O-N 3.09Å; D318-L320 PolarHBondContact O-N 3.35Å; D318-L320 VanDerWaalsContact O-N 3.12Å; L320-W322 VanDerWaalsContact C-N 3.32Å; L320-W322 PolarHBondContact O-N 3Å; L320-D323 PolarHBondContact O-N 3.01Å; L320-I324 HydrophobicContact CD1-CG1 4.38Å; L320-I324 HydrophobicContact CG-CD1 4.17Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 3.37Å
321L95.4Very high94.7Very high4 Ų449.1 Ų49.12%0.02125%0.248CC..Hα-helixtrans-56.2-47.2173-175149000111.7F43 F103 I281 D318 S319 F325 M350F43-L321 HydrophobicContact CE2-CD1 3.82Å; F43-L321 HydrophobicContact CZ-CD1 3.76Å; F103-L321 HydrophobicContact CE1-CB 4.05Å; F103-L321 HydrophobicContact CE1-CD1 4.42Å; F103-L321 HydrophobicContact CZ-CB 3.83Å; I281-L321 HydrophobicContact CD1-CD1 4.47Å; D318-L321 PolarHBondContact O-N 3.19Å; S319-L321 PolarHBondContact O-N 2.87Å; L321-F325 WeakPolarHBondContact O-CB 3.34Å; L321-F325 PolarHBondContact O-N 2.85Å; L321-M350 HydrophobicContact CG-SD 3.95Å
322W96.2Very high94.5Very high111 Ų11150 Ų5042%0.4226%0.259SS..Hα-helixtrans-75.5-33.4179.4-64.8112.5000112.4S319 L320 I324 F325 Y326 L354S319-W322 WeakPolarHBondContact O-CA 3.27Å; S319-W322 WeakPolarHBondContact O-CB 3.45Å; S319-W322 PolarHBondContact O-N 3.42Å; L320-W322 VanDerWaalsContact C-N 3.32Å; L320-W322 PolarHBondContact O-N 3Å; W322-I324 VanDerWaalsContact C-N 3.32Å; W322-F325 HydrophobicContact CE3-CB 4.45Å; W322-F325 HydrophobicContact CE3-CD1 4.17Å; W322-F325 HydrophobicContact CE3-CG 4.47Å; W322-F325 HydrophobicContact CZ3-CD1 4.29Å; W322-F325 PolarHBondContact O-N 3.33Å; W322-Y326 HydrophobicContact CB-CD2 4.4Å; W322-Y326 HydrophobicContact CD2-CE2 4.5Å; W322-Y326 HydrophobicContact CE3-CD2 4.29Å; W322-Y326 AromaticContact CE3-CE2 3.65Å; W322-Y326 HydrophobicContact CE3-CE2 3.65Å; W322-Y326 HydrophobicContact CZ3-CE2 4.24Å; W322-Y326 WeakPolarHBondContact O-CD2 3.45Å; W322-Y326 PolarHBondContact O-N 3.03Å; W322-L354 HydrophobicContact CH2-CD1 4.34Å; W322-L354 HydrophobicContact CH2-CD2 4.2Å; W322-L354 HydrophobicContact CZ3-CD1 3.99Å
323D95.6Very high94.2Very high47 Ų4755 Ų5525%0.25128%0.278SS..Hα-helixtrans-61.8-42.1173.6-67-37.7000111S319 L320 G327 R328S319-D323 PolarHBondContact O-N 2.89Å; S319-D323 PolarHBondContact OG-OD2 3.36Å; L320-D323 PolarHBondContact O-N 3.01Å; D323-G327 CarbonylContact O-C 3.6Å; D323-G327 WeakPolarHBondContact O-CA 3.28Å; D323-G327 PolarHBondContact O-N 3.35Å; D323-R328 PolarHBondContact O-N 3Å
324I96.6Very high93.8Very high2 Ų256.5 Ų56.51%0.0129%0.287CS..Hα-helixtrans-62.9-55.4171.9-63.3164.1000109.8L285 I288 L320 W322 Y326 G327 L331 A346 Q347 M350L285-I324 HydrophobicContact CD2-CD1 4.16Å; I288-I324 HydrophobicContact CD1-CD1 3.56Å; I288-I324 HydrophobicContact CD1-CG1 3.61Å; L320-I324 HydrophobicContact CD1-CG1 4.38Å; L320-I324 HydrophobicContact CG-CD1 4.17Å; L320-I324 WeakPolarHBondContact O-CG1 3.38Å; L320-I324 PolarHBondContact O-N 3.37Å; W322-I324 VanDerWaalsContact C-N 3.32Å; I324-Y326 VanDerWaalsContact C-N 3.34Å; I324-Y326 PolarHBondContact O-N 3.26Å; I324-G327 PolarHBondContact O-N 2.92Å; I324-G327 VanDerWaalsContact O-N 3.11Å; I324-L331 HydrophobicContact CB-CD1 4.45Å; I324-L331 HydrophobicContact CG1-CD1 4.1Å; I324-A346 HydrophobicContact CG2-CB 3.87Å; I324-Q347 WeakPolarHBondContact O-CG 3.34Å; I324-M350 HydrophobicContact CB-CG 4.04Å; I324-M350 HydrophobicContact CG2-CG 3.55Å
325F96.7Very high93.4Very high44 Ų4461.7 Ų61.719%0.19332%0.32CS..Hα-helixtrans-54.4-46-174.9178.2-97.6000113.3L321 W322 M350 R351 L354L321-F325 WeakPolarHBondContact O-CB 3.34Å; L321-F325 PolarHBondContact O-N 2.85Å; W322-F325 HydrophobicContact CE3-CB 4.45Å; W322-F325 HydrophobicContact CE3-CD1 4.17Å; W322-F325 HydrophobicContact CE3-CG 4.47Å; W322-F325 HydrophobicContact CZ3-CD1 4.29Å; W322-F325 PolarHBondContact O-N 3.33Å; F325-M350 HydrophobicContact CB-CB 4.04Å; F325-M350 HydrophobicContact CB-CG 4.44Å; F325-M350 HydrophobicContact CD2-CB 3.89Å; F325-M350 HydrophobicContact CG-CB 4.48Å; F325-R351 HydrophobicContact CD2-CG 4.11Å; F325-R351 HydrophobicContact CE2-CB 4.38Å; F325-R351 HydrophobicContact CE2-CG 3.55Å; F325-R351 HydrophobicContact CZ-CG 4.44Å; F325-L354 HydrophobicContact CD2-CD1 3.49Å; F325-L354 VanDerWaalsContact CD2-CD1 3.49Å; F325-L354 HydrophobicContact CE2-CD1 3.44Å; F325-L354 VanDerWaalsContact CE2-CD1 3.44Å; F325-L354 HydrophobicContact CG-CD1 4.09Å; F325-L354 HydrophobicContact CZ-CD1 4.04Å
326Y95.7Very high93.2Very high117 Ų11757.2 Ų57.246%0.45931%0.305SS..Hα-helixtrans-91.4-6.9-179.6-68.3-65.2000113.9W322 I324 R328W322-Y326 HydrophobicContact CB-CD2 4.4Å; W322-Y326 HydrophobicContact CD2-CE2 4.5Å; W322-Y326 HydrophobicContact CE3-CD2 4.29Å; W322-Y326 AromaticContact CE3-CE2 3.65Å; W322-Y326 HydrophobicContact CE3-CE2 3.65Å; W322-Y326 HydrophobicContact CZ3-CE2 4.24Å; W322-Y326 WeakPolarHBondContact O-CD2 3.45Å; W322-Y326 PolarHBondContact O-N 3.03Å; I324-Y326 VanDerWaalsContact C-N 3.34Å; I324-Y326 PolarHBondContact O-N 3.26Å; Y326-R328 VanDerWaalsContact CB-NE 3.3Å
327G92.7Very high92.8Very high14 Ų1464.7 Ų64.714%0.14434%0.337CS..THydrogen-bonded Turntrans62.439.9-172.700000113D323 I324 S332D323-G327 CarbonylContact O-C 3.6Å; D323-G327 WeakPolarHBondContact O-CA 3.28Å; D323-G327 PolarHBondContact O-N 3.35Å; I324-G327 PolarHBondContact O-N 2.92Å; I324-G327 VanDerWaalsContact O-N 3.11Å; G327-S332 WeakPolarHBondContact O-CA 3.33Å; G327-S332 VanDerWaalsContact O-CB 3.3Å; G327-S332 WeakPolarHBondContact O-CB 3.34Å; G327-S332 PolarHBondContact O-N 3.34Å
328R92.2Very high92.5Very high139 Ų13968.4 Ų68.453%0.52536%0.359SS..  trans-94.1178.7-177.3-67.3176.4-172.1-176.56.7111.7D323 Y326 L331D323-R328 PolarHBondContact O-N 3Å; Y326-R328 VanDerWaalsContact CB-NE 3.3Å; R328-L331 WeakPolarHBondContact O-CB 3.36Å; R328-L331 PolarHBondContact O-N 3.15Å
329G88.4Confident92.3Very high44 Ų4470.8 Ų70.845%0.45437%0.368SS..G310 helixtrans62.6-136.5178.400000112.1L331 S332G329-L331 PolarHBondContact O-N 3.45Å; G329-S332 PolarHBondContact O-N 3.45Å; G329-S332 PolarHBondContact O-OG 3.1Å
330S87.9Confident92.1Very high80 Ų8072.9 Ų72.956%0.55938%0.377SS*.G310 helixtrans-60.9-28.9179.4-60.80000113.3S332 K333S330-S332 VanDerWaalsContact C-N 3.29Å; S330-S332 PolarHBondContact O-N 3.04Å; S330-K333 PolarHBondContact O-N 3.42Å
331L91.4Very high92.1Very high9 Ų975.2 Ų75.25%0.04739%0.392CS..G310 helixtrans-66.7-30.3178.5-65.5172.7000112.7I288 L292 I324 R328 G329 K333 V334 I343I288-L331 HydrophobicContact CB-CD2 4.3Å; I288-L331 HydrophobicContact CG2-CD2 4.23Å; L292-L331 HydrophobicContact CD1-CD2 3.84Å; L292-L331 HydrophobicContact CD1-CG 4.09Å; L292-L331 HydrophobicContact CD2-CD2 3.89Å; L292-L331 HydrophobicContact CD2-CG 4.31Å; L292-L331 HydrophobicContact CG-CD2 3.88Å; I324-L331 HydrophobicContact CB-CD1 4.45Å; I324-L331 HydrophobicContact CG1-CD1 4.1Å; R328-L331 WeakPolarHBondContact O-CB 3.36Å; R328-L331 PolarHBondContact O-N 3.15Å; G329-L331 PolarHBondContact O-N 3.45Å; L331-K333 PolarHBondContact O-N 3.28Å; L331-V334 PolarHBondContact O-N 3.38Å; L331-I343 HydrophobicContact CD2-CD1 4.03Å; L331-I343 HydrophobicContact CD2-CG1 4.15Å
332S89.8Confident92.1Very high81 Ų8180 Ų8057%0.56641%0.41SS*.G310 helixtrans-66.3-2017969.50000113.7G327 G329 S330G327-S332 WeakPolarHBondContact O-CA 3.33Å; G327-S332 VanDerWaalsContact O-CB 3.3Å; G327-S332 WeakPolarHBondContact O-CB 3.34Å; G327-S332 PolarHBondContact O-N 3.34Å; G329-S332 PolarHBondContact O-N 3.45Å; G329-S332 PolarHBondContact O-OG 3.1Å; S330-S332 VanDerWaalsContact C-N 3.29Å; S330-S332 PolarHBondContact O-N 3.04Å
333K89.2Confident92Very high168 Ų16875 Ų7573%0.7339%0.392SS*.G310 helixtrans-87.9-7-178.6-60.7-179.9-179176.30112.9S330 L331 T335S330-K333 PolarHBondContact O-N 3.42Å; L331-K333 PolarHBondContact O-N 3.28Å; K333-T335 PolarHBondContact O-N 3Å
334V89.1Confident92Very high31 Ų3177.7 Ų77.719%0.18840%0.403CS..  trans-84.3108.5-172.7-176.70000109.5V291 L331 F339 I343V291-V334 HydrophobicContact CG1-CB 4.18Å; V291-V334 HydrophobicContact CG1-CG1 3.87Å; V291-V334 HydrophobicContact CG1-CG2 3.27Å; L331-V334 PolarHBondContact O-N 3.38Å; V334-F339 HydrophobicContact CG1-CB 3.77Å; V334-F339 HydrophobicContact CG1-CD2 4.36Å; V334-I343 HydrophobicContact CB-CD1 3.77Å; V334-I343 HydrophobicContact CG1-CD1 3.76Å; V334-I343 HydrophobicContact CG2-CD1 4.09Å
335T87.7Confident91.9Very high132 Ų13282.8 Ų82.881%0.8143%0.426SS*.  trans-106.9-7.3179.656.80000113.3K333 K337K333-T335 PolarHBondContact O-N 3Å; T335-K337 PolarHBondContact O-N 3.43Å
336S90.2Very high91.9Very high42 Ų4280.7 Ų80.729%0.29442%0.417SS..  trans-63.3130179.9177.90000111.4D338 F339 L340S336-D338 PolarHBondContact O-N 3.08Å; S336-D338 PolarHBondContact OG-N 3.41Å; S336-F339 PolarHBondContact O-N 3.25Å; S336-L340 PolarHBondContact O-N 3.46Å; S336-L340 VanDerWaalsContact O-N 3.11Å
337K89.2Confident91.9Very high182 Ų18276.6 Ų76.679%0.79140%0.402SS*.THydrogen-bonded Turntrans-64.8-21.9177-68.5-174.1178.6-179.40112.9T335 P341T335-K337 PolarHBondContact O-N 3.43Å; K337-P341 WeakPolarHBondContact O-CD 3.28Å
338D89.9Confident92.1Very high128 Ų12878.5 Ų78.568%0.68441%0.413SS*.THydrogen-bonded Turntrans-77.2-28179.9-58.7-29.6000112.2S336S336-D338 PolarHBondContact O-N 3.08Å; S336-D338 PolarHBondContact OG-N 3.41Å
339F92.9Very high92.3Very high68 Ų6872.7 Ų72.730%0.29839%0.392SS..THydrogen-bonded Turntrans-99.9-28.8-176.2-63.3-46.7000113.4P290 V291 V334 S336 R342 I343P290-F339 HydrophobicContact CB-CE1 3.95Å; V291-F339 HydrophobicContact CG2-CB 3.7Å; V291-F339 HydrophobicContact CG2-CD1 3.72Å; V291-F339 HydrophobicContact CG2-CD2 4.4Å; V291-F339 HydrophobicContact CG2-CE1 4.45Å; V291-F339 HydrophobicContact CG2-CG 3.7Å; V334-F339 HydrophobicContact CG1-CB 3.77Å; V334-F339 HydrophobicContact CG1-CD2 4.36Å; S336-F339 PolarHBondContact O-N 3.25Å; F339-R342 WeakPolarHBondContact O-CB 2.84Å; F339-R342 PolarHBondContact O-N 3.46Å; F339-I343 PolarHBondContact O-N 3.45Å; F339-I343 VanDerWaalsContact O-N 3.07Å
340L92.7Very high92.7Very high77 Ų7770.8 Ų70.840%0.40337%0.372SS..Hα-helixtrans-54.9-42.9-178.5-173.964.3000113.6S336 R342 I343 Q344S336-L340 PolarHBondContact O-N 3.46Å; S336-L340 VanDerWaalsContact O-N 3.11Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.27Å; L340-I343 PolarHBondContact O-N 2.9Å; L340-Q344 VanDerWaalsContact O-CG 3.32Å; L340-Q344 WeakPolarHBondContact O-CG 3.47Å; L340-Q344 PolarHBondContact O-N 3.46Å
341P94.1Very high93.1Very high59 Ų5972.9 Ų72.938%0.38337%0.367SS..Hα-helixtrans-61.1-38175.8-24.835.5000113.2K337 Q344 Q345K337-P341 WeakPolarHBondContact O-CD 3.28Å; P341-Q344 PolarHBondContact O-N 3.37Å; P341-Q345 VanDerWaalsContact O-CG 3.31Å; P341-Q345 WeakPolarHBondContact O-CG 3.39Å; P341-Q345 PolarHBondContact O-N 3.34Å
342R95Very high93.3Very high105 Ų10574 Ų7440%0.39637%0.371SS..Hα-helixtrans-66.5-43.2178.3-63.6176.5169.6-100-2111.3L287 F339 L340 Q344 Q345 A346L287-R342 HydrophobicContact CB-CB 4.44Å; L287-R342 HydrophobicContact CD2-CB 4.35Å; L287-R342 HydrophobicContact CD2-CG 4.49Å; L287-R342 WeakPolarHBondContact O-CB 3.31Å; F339-R342 WeakPolarHBondContact O-CB 2.84Å; F339-R342 PolarHBondContact O-N 3.46Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.27Å; R342-Q344 VanDerWaalsContact C-N 3.33Å; R342-Q344 PolarHBondContact O-N 3.48Å; R342-Q345 PolarHBondContact O-N 2.8Å; R342-A346 PolarHBondContact O-N 2.86Å
343I95.2Very high93.6Very high7 Ų770.2 Ų70.24%0.03635%0.345CS..Hα-helixtrans-61.6-43.3175.2-62.5173.4000110.5V291 L331 V334 F339 L340 Q345 A346 Q347V291-I343 HydrophobicContact CG1-CD1 4.37Å; L331-I343 HydrophobicContact CD2-CD1 4.03Å; L331-I343 HydrophobicContact CD2-CG1 4.15Å; V334-I343 HydrophobicContact CB-CD1 3.77Å; V334-I343 HydrophobicContact CG1-CD1 3.76Å; V334-I343 HydrophobicContact CG2-CD1 4.09Å; F339-I343 PolarHBondContact O-N 3.45Å; F339-I343 VanDerWaalsContact O-N 3.07Å; L340-I343 PolarHBondContact O-N 2.9Å; I343-Q345 VanDerWaalsContact C-N 3.33Å; I343-Q345 PolarHBondContact O-N 3.02Å; I343-A346 PolarHBondContact O-N 3.42Å; I343-Q347 WeakPolarHBondContact O-CB 3.43Å; I343-Q347 WeakPolarHBondContact O-CG 3.22Å; I343-Q347 PolarHBondContact O-N 3.34Å
344Q94.6Very high93.9Very high103 Ų10365.5 Ų65.548%0.48133%0.327SS..Hα-helixtrans-63-38.1176.7-72.4172.7-11.500112.4L340 P341 R342 Q347 S348L340-Q344 VanDerWaalsContact O-CG 3.32Å; L340-Q344 WeakPolarHBondContact O-CG 3.47Å; L340-Q344 PolarHBondContact O-N 3.46Å; P341-Q344 PolarHBondContact O-N 3.37Å; R342-Q344 VanDerWaalsContact C-N 3.33Å; R342-Q344 PolarHBondContact O-N 3.48Å; Q344-Q347 WeakPolarHBondContact O-CB 3.42Å; Q344-Q347 PolarHBondContact O-N 2.98Å; Q344-S348 WeakPolarHBondContact O-CB 3.28Å; Q344-S348 PolarHBondContact O-N 3.46Å
345Q94.9Very high94.2Very high109 Ų10967.5 Ų67.551%0.50934%0.342SS..Hα-helixtrans-65.9-43.4173.6-73.3175.2-2.200111.6L287 P341 R342 I343 Q347 S348 L349L287-Q345 HydrophobicContact CD1-CB 3.69Å; L287-Q345 HydrophobicContact CD2-CB 4.3Å; L287-Q345 VanDerWaalsContact CD2-OE1 3.31Å; P341-Q345 VanDerWaalsContact O-CG 3.31Å; P341-Q345 WeakPolarHBondContact O-CG 3.39Å; P341-Q345 PolarHBondContact O-N 3.34Å; R342-Q345 PolarHBondContact O-N 2.8Å; I343-Q345 VanDerWaalsContact C-N 3.33Å; I343-Q345 PolarHBondContact O-N 3.02Å; Q345-Q347 PolarHBondContact O-N 3.26Å; Q345-S348 VanDerWaalsContact O-CB 3.27Å; Q345-S348 WeakPolarHBondContact O-CB 3.39Å; Q345-S348 PolarHBondContact O-N 2.98Å; Q345-S348 VanDerWaalsContact O-N 3.11Å; Q345-L349 PolarHBondContact O-N 3.31Å
346A96.8Very high94.5Very high0 Ų066.8 Ų66.80%033%0.325CS..Hα-helixtrans-61.7-42.6175.500000111.7A284 L287 I288 I324 R342 I343 S348 L349 M350A284-A346 HydrophobicContact CB-CB 4.11Å; L287-A346 HydrophobicContact CB-CB 4.07Å; L287-A346 HydrophobicContact CD1-CB 4.23Å; I288-A346 HydrophobicContact CG2-CB 3.73Å; I324-A346 HydrophobicContact CG2-CB 3.87Å; R342-A346 PolarHBondContact O-N 2.86Å; I343-A346 PolarHBondContact O-N 3.42Å; A346-S348 VanDerWaalsContact C-N 3.31Å; A346-S348 PolarHBondContact O-N 3.43Å; A346-L349 WeakPolarHBondContact O-CB 3.49Å; A346-L349 PolarHBondContact O-N 2.92Å; A346-M350 PolarHBondContact O-N 3.12Å
347Q96.6Very high94.7Very high30 Ų3066 Ų6614%0.1432%0.317CS..Hα-helixtrans-59.3-40.3171.7-79.3175.6-8.800112.6I324 I343 Q344 Q345 M350 R351I324-Q347 WeakPolarHBondContact O-CG 3.34Å; I343-Q347 WeakPolarHBondContact O-CB 3.43Å; I343-Q347 WeakPolarHBondContact O-CG 3.22Å; I343-Q347 PolarHBondContact O-N 3.34Å; Q344-Q347 WeakPolarHBondContact O-CB 3.42Å; Q344-Q347 PolarHBondContact O-N 2.98Å; Q345-Q347 PolarHBondContact O-N 3.26Å; Q347-M350 PolarHBondContact O-N 2.78Å; Q347-R351 WeakPolarHBondContact O-CG 3.46Å; Q347-R351 PolarHBondContact O-N 3.27Å
348S95.9Very high94.9Very high55 Ų5558.3 Ų58.339%0.38529%0.285SS..Hα-helixtrans-61-44.5175.7-170.60000111.3Q344 Q345 A346 M350 R351 R352Q344-S348 WeakPolarHBondContact O-CB 3.28Å; Q344-S348 PolarHBondContact O-N 3.46Å; Q345-S348 VanDerWaalsContact O-CB 3.27Å; Q345-S348 WeakPolarHBondContact O-CB 3.39Å; Q345-S348 PolarHBondContact O-N 2.98Å; Q345-S348 VanDerWaalsContact O-N 3.11Å; A346-S348 VanDerWaalsContact C-N 3.31Å; A346-S348 PolarHBondContact O-N 3.43Å; S348-M350 PolarHBondContact O-N 3.12Å; S348-R351 PolarHBondContact O-N 3Å; S348-R352 WeakPolarHBondContact O-CG 3.39Å; S348-R352 PolarHBondContact O-N 2.68Å
349L96.6Very high95.2Very high16 Ų1652.7 Ų52.78%0.08425%0.254CS..Hα-helixtrans-60.7-43.2174.6-69.4172.6000111.9M280 D283 A284 L287 Q345 A346 R351 R352 I353 Y359M280-L349 HydrophobicContact CE-CD2 4.28Å; D283-L349 HydrophobicContact CB-CD1 3.8Å; A284-L349 HydrophobicContact CB-CB 4.29Å; A284-L349 HydrophobicContact CB-CD1 4.04Å; L287-L349 HydrophobicContact CD1-CD1 3.91Å; Q345-L349 PolarHBondContact O-N 3.31Å; A346-L349 WeakPolarHBondContact O-CB 3.49Å; A346-L349 PolarHBondContact O-N 2.92Å; L349-R351 PolarHBondContact O-N 3.36Å; L349-R352 WeakPolarHBondContact O-CB 3.32Å; L349-R352 PolarHBondContact O-N 2.9Å; L349-I353 WeakPolarHBondContact O-CG1 3.42Å; L349-I353 PolarHBondContact O-N 3.31Å; L349-Y359 HydrophobicContact CD2-CE1 4.32Å
350M96.9Very high95.3Very high4 Ų451 Ų512%0.0225%0.249CC..Hα-helixtrans-62.1-43.5176-67.6-55.8103.500112.2I281 A284 L321 I324 F325 A346 Q347 S348 R352 I353 L354I281-M350 HydrophobicContact CG1-CE 4.12Å; A284-M350 HydrophobicContact CB-CE 3.47Å; A284-M350 VanDerWaalsContact CB-CE 3.47Å; L321-M350 HydrophobicContact CG-SD 3.95Å; I324-M350 HydrophobicContact CB-CG 4.04Å; I324-M350 HydrophobicContact CG2-CG 3.55Å; F325-M350 HydrophobicContact CB-CB 4.04Å; F325-M350 HydrophobicContact CB-CG 4.44Å; F325-M350 HydrophobicContact CD2-CB 3.89Å; F325-M350 HydrophobicContact CG-CB 4.48Å; A346-M350 PolarHBondContact O-N 3.12Å; Q347-M350 PolarHBondContact O-N 2.78Å; S348-M350 PolarHBondContact O-N 3.12Å; M350-R352 VanDerWaalsContact C-N 3.31Å; M350-R352 PolarHBondContact O-N 2.99Å; M350-I353 HydrophobicContact CE-CD1 3.56Å; M350-I353 PolarHBondContact O-N 3.45Å; M350-I353 HydrophobicContact SD-CD1 4.28Å; M350-L354 WeakPolarHBondContact O-CG 3Å; M350-L354 PolarHBondContact O-N 2.65Å
351R96.3Very high95.4Very high124 Ų12450.1 Ų50.147%0.46824%0.241SC..Hα-helixtrans-58.5-44.1174-72.5175.7-161.41278.8111.3F325 Q347 S348 L349 L354 S355F325-R351 HydrophobicContact CD2-CG 4.11Å; F325-R351 HydrophobicContact CE2-CB 4.38Å; F325-R351 HydrophobicContact CE2-CG 3.55Å; F325-R351 HydrophobicContact CZ-CG 4.44Å; Q347-R351 WeakPolarHBondContact O-CG 3.46Å; Q347-R351 PolarHBondContact O-N 3.27Å; S348-R351 PolarHBondContact O-N 3Å; L349-R351 PolarHBondContact O-N 3.36Å; R351-L354 PolarHBondContact O-N 3.45Å; R351-S355 WeakPolarHBondContact O-CB 3.21Å; R351-S355 PolarHBondContact O-N 2.72Å; R351-S355 PolarHBondContact O-OG 2.83Å; R351-S355 VanDerWaalsContact O-OG 3.09Å
352R95.9Very high95.4Very high32 Ų3248 Ų4812%0.12123%0.226CC..Hα-helixtrans-61.3-44.5177.5-74.2179.264.9-165.5-5.7112.1M280 S348 L349 M350 L354 S355 R356 D357 R508M280-R352 HydrophobicContact CE-CB 3.72Å; S348-R352 WeakPolarHBondContact O-CG 3.39Å; S348-R352 PolarHBondContact O-N 2.68Å; L349-R352 WeakPolarHBondContact O-CB 3.32Å; L349-R352 PolarHBondContact O-N 2.9Å; M350-R352 VanDerWaalsContact C-N 3.31Å; M350-R352 PolarHBondContact O-N 2.99Å; R352-L354 PolarHBondContact O-N 3.29Å; R352-S355 PolarHBondContact O-N 2.55Å; R352-S355 PolarHBondContact O-OG 2.84Å; R352-R356 PolarHBondContact O-N 3.42Å; R352-R356 VanDerWaalsContact O-N 3.11Å; R352-D357 HydrophobicContact CB-CB 4.13Å; R352-D357 HydrophobicContact CG-CB 4.24Å; R352-D357 IonicContact CZ-OD2 3.92Å; R352-D357 PolarHBondContact NE-O 2.82Å; R352-D357 IonicContact NE-OD2 3.51Å; R352-D357 PolarHBondContact NE-OD2 2.75Å; R352-D357 VanDerWaalsContact NE-OD2 3.12Å; R352-D357 PolarHBondContact NH2-O 3.3Å; R352-D357 IonicContact NH2-OD2 3.6Å; R352-D357 WeakPolarHBondContact O-CA 2.88Å; R352-D357 PolarHBondContact O-N 2.89Å; R352-R508 PolarHBondContact NH1-O 2.88Å; R352-R508 PolarHBondContact NH2-O 3.36Å
353I96.5Very high95.4Very high3 Ų344.5 Ų44.52%0.01522%0.215CC..Hα-helixtrans-57.9-50.2175.6-67.2168.2000110.5F43 I277 M280 I281 L349 M350 S355 R356 L358F43-I353 HydrophobicContact CD1-CG2 4.21Å; F43-I353 HydrophobicContact CE1-CG2 3.89Å; F43-I353 HydrophobicContact CZ-CG2 4.05Å; I277-I353 HydrophobicContact CG2-CD1 4.32Å; I277-I353 HydrophobicContact CG2-CG2 3.95Å; M280-I353 HydrophobicContact CB-CD1 3.78Å; M280-I353 HydrophobicContact CB-CG1 3.99Å; M280-I353 HydrophobicContact CE-CG1 3.73Å; M280-I353 HydrophobicContact SD-CG1 3.87Å; I281-I353 HydrophobicContact CD1-CD1 4.4Å; I281-I353 HydrophobicContact CG1-CD1 3.67Å; L349-I353 WeakPolarHBondContact O-CG1 3.42Å; L349-I353 PolarHBondContact O-N 3.31Å; M350-I353 HydrophobicContact CE-CD1 3.56Å; M350-I353 PolarHBondContact O-N 3.45Å; M350-I353 HydrophobicContact SD-CD1 4.28Å; I353-S355 PolarHBondContact O-N 3.34Å; I353-R356 PolarHBondContact O-N 3.44Å; I353-R356 VanDerWaalsContact O-N 3.11Å; I353-L358 HydrophobicContact CB-CD2 4.48Å; I353-L358 HydrophobicContact CG1-CD2 4.45Å
354L95.1Very high95.2Very high69 Ų6944.2 Ų44.236%0.36121%0.214SC..Hα-helixtrans-67.6-33-177.5-66.9171.5000113F43 W322 F325 M350 R351 R352 R356F43-L354 HydrophobicContact CE1-CD2 4.08Å; F43-L354 HydrophobicContact CZ-CD2 4.47Å; W322-L354 HydrophobicContact CH2-CD1 4.34Å; W322-L354 HydrophobicContact CH2-CD2 4.2Å; W322-L354 HydrophobicContact CZ3-CD1 3.99Å; F325-L354 HydrophobicContact CD2-CD1 3.49Å; F325-L354 VanDerWaalsContact CD2-CD1 3.49Å; F325-L354 HydrophobicContact CE2-CD1 3.44Å; F325-L354 VanDerWaalsContact CE2-CD1 3.44Å; F325-L354 HydrophobicContact CG-CD1 4.09Å; F325-L354 HydrophobicContact CZ-CD1 4.04Å; M350-L354 WeakPolarHBondContact O-CG 3Å; M350-L354 PolarHBondContact O-N 2.65Å; R351-L354 PolarHBondContact O-N 3.45Å; R352-L354 PolarHBondContact O-N 3.29Å; L354-R356 PolarHBondContact O-N 3.37Å
355S94.7Very high95Very high73 Ų7339.3 Ų39.351%0.5119%0.191SC..THydrogen-bonded Turntrans-85.67.7174.372.30000113.7R351 R352 I353 D357R351-S355 WeakPolarHBondContact O-CB 3.21Å; R351-S355 PolarHBondContact O-N 2.72Å; R351-S355 PolarHBondContact O-OG 2.83Å; R351-S355 VanDerWaalsContact O-OG 3.09Å; R352-S355 PolarHBondContact O-N 2.55Å; R352-S355 PolarHBondContact O-OG 2.84Å; I353-S355 PolarHBondContact O-N 3.34Å; S355-D357 PolarHBondContact O-N 2.7Å
356R94.4Very high94.6Very high116 Ų11635.3 Ų35.344%0.43817%0.172SC..THydrogen-bonded Turntrans57.127-176.5-14965.2172.1-175.4-7.8114.6F43 R352 I353 L354 L358F43-R356 VanDerWaalsContact O-CZ 3.23Å; F43-R356 PolarHBondContact O-NH1 3.42Å; F43-R356 PolarHBondContact O-NH2 3.46Å; R352-R356 PolarHBondContact O-N 3.42Å; R352-R356 VanDerWaalsContact O-N 3.11Å; I353-R356 PolarHBondContact O-N 3.44Å; I353-R356 VanDerWaalsContact O-N 3.11Å; L354-R356 PolarHBondContact O-N 3.37Å; R356-L358 HydrophobicContact CG-CG 4.49Å; R356-L358 PolarHBondContact O-N 3.35Å; R356-L358 VanDerWaalsContact O-N 3.15Å
357D93.6Very high93.9Very high26 Ų2636.2 Ų36.214%0.13918%0.176CC..  trans-87.459.3173.1-168.852.2000111.5R352 S355 R509R352-D357 HydrophobicContact CB-CB 4.13Å; R352-D357 HydrophobicContact CG-CB 4.24Å; R352-D357 IonicContact CZ-OD2 3.92Å; R352-D357 PolarHBondContact NE-O 2.82Å; R352-D357 IonicContact NE-OD2 3.51Å; R352-D357 PolarHBondContact NE-OD2 2.75Å; R352-D357 VanDerWaalsContact NE-OD2 3.12Å; R352-D357 PolarHBondContact NH2-O 3.3Å; R352-D357 IonicContact NH2-OD2 3.6Å; R352-D357 WeakPolarHBondContact O-CA 2.88Å; R352-D357 PolarHBondContact O-N 2.89Å; S355-D357 PolarHBondContact O-N 2.7Å; D357-R509 IonicContact OD1-CZ 3.64Å; D357-R509 IonicContact OD1-NH1 2.71Å; D357-R509 PolarHBondContact OD1-NH1 3.07Å; D357-R509 IonicContact OD1-NH2 3.22Å; D357-R509 PolarHBondContact OD1-NH2 3.34Å; D357-R509 IonicContact OD2-NH2 3.71Å
358L95.2Very high93Very high20 Ų2036.6 Ų36.611%0.10518%0.178CC..  trans-75.5167.1-170.2-51.9-176.8000112.7T273 I277 M280 I353 R356 T360T273-L358 HydrophobicContact CG2-CD1 3.58Å; I277-L358 HydrophobicContact CD1-CD1 3.93Å; I277-L358 HydrophobicContact CD1-CD2 4.35Å; I277-L358 HydrophobicContact CG1-CD1 3.81Å; I277-L358 HydrophobicContact CG1-CD2 3.82Å; I277-L358 HydrophobicContact CG1-CG 4.41Å; M280-L358 HydrophobicContact SD-CB 4.19Å; M280-L358 HydrophobicContact SD-CD2 3.96Å; I353-L358 HydrophobicContact CB-CD2 4.48Å; I353-L358 HydrophobicContact CG1-CD2 4.45Å; R356-L358 HydrophobicContact CG-CG 4.49Å; R356-L358 PolarHBondContact O-N 3.35Å; R356-L358 VanDerWaalsContact O-N 3.15Å; L358-T360 PolarHBondContact O-N 3.4Å
359Y95.8Very high92Very high11 Ų1134.9 Ų34.94%0.04317%0.165CC..  trans-57.5129.7162.5-65-11.5000110.2A279 M280 D283 L349 Y361 L464 W507 R508A279-Y359 HydrophobicContact CB-CD2 4.26Å; A279-Y359 HydrophobicContact CB-CE2 4.29Å; M280-Y359 HydrophobicContact CB-CE2 4.39Å; M280-Y359 HydrophobicContact CE-CD1 4.27Å; M280-Y359 HydrophobicContact CE-CE1 4.27Å; M280-Y359 HydrophobicContact CG-CD1 3.67Å; M280-Y359 HydrophobicContact CG-CD2 3.56Å; M280-Y359 HydrophobicContact CG-CE1 3.64Å; M280-Y359 HydrophobicContact CG-CE2 3.51Å; M280-Y359 HydrophobicContact CG-CG 3.64Å; M280-Y359 HydrophobicContact SD-CD1 3.96Å; M280-Y359 HydrophobicContact SD-CE1 4.33Å; M280-Y359 HydrophobicContact SD-CG 4.11Å; D283-Y359 WeakPolarHBondContact OD2-CE2 3.44Å; D283-Y359 VanDerWaalsContact OD2-CZ 3.26Å; D283-Y359 PolarHBondContact OD2-OH 3.48Å; L349-Y359 HydrophobicContact CD2-CE1 4.32Å; Y359-Y361 PolarHBondContact O-N 3.46Å; Y359-L464 HydrophobicContact CD2-CD2 4.11Å; Y359-L464 HydrophobicContact CE2-CD2 4.15Å; Y359-W507 CarbonylContact C-O 3.59Å; Y359-W507 WeakPolarHBondContact CA-O 3.12Å; Y359-R508 VanDerWaalsContact CD1-CA 3.49Å; Y359-R508 HydrophobicContact CD1-CB 4.12Å; Y359-R508 HydrophobicContact CD1-CG 4.38Å; Y359-R508 WeakPolarHBondContact CD1-O 3.47Å; Y359-R508 HydrophobicContact CD2-CG 4.34Å; Y359-R508 HydrophobicContact CE1-CB 3.81Å; Y359-R508 HydrophobicContact CE1-CG 4.02Å; Y359-R508 WeakPolarHBondContact CE1-O 3.47Å; Y359-R508 HydrophobicContact CE2-CG 4Å; Y359-R508 PolarHBondContact OH-NH1 3.49Å
360T94.5Very high90.9Very high31 Ų3135.6 Ų35.619%0.1917%0.167CC..EExtended strand (participates in β ladder)trans-81.7113.9-173.9-62.50000109.3L358 I362 Y506 W507 R509 V522L358-T360 PolarHBondContact O-N 3.4Å; T360-I362 HydrophobicContact CG2-CD1 4.26Å; T360-I362 PolarHBondContact O-N 2.99Å; T360-Y506 CarbonylContact O-C 3.55Å; T360-Y506 VanDerWaalsContact O-CA 3.26Å; T360-Y506 WeakPolarHBondContact O-CA 3.43Å; T360-W507 PolarHBondContact N-O 2.78Å; T360-W507 PolarHBondContact O-N 3.48Å; T360-R509 WeakPolarHBondContact OG1-CD 3.34Å; T360-V522 HydrophobicContact CG2-CG2 3.92Å
361Y95Very high89.7Confident60 Ų6038 Ų3824%0.23518%0.176CC..EExtended strand (participates in β ladder)trans-63.7128.8171173.1-93.9000110.4K272 Y359 D363 S364 R504 Y506K272-Y361 HydrophobicContact CB-CD2 3.84Å; K272-Y361 HydrophobicContact CB-CE2 4.04Å; K272-Y361 HydrophobicContact CB-CG 4.29Å; K272-Y361 HydrophobicContact CD-CD1 3.73Å; K272-Y361 HydrophobicContact CD-CD2 4.1Å; K272-Y361 HydrophobicContact CD-CE1 3.89Å; K272-Y361 HydrophobicContact CD-CE2 4.24Å; K272-Y361 HydrophobicContact CD-CG 3.83Å; Y359-Y361 PolarHBondContact O-N 3.46Å; Y361-D363 VanDerWaalsContact CZ-C 3.5Å; Y361-D363 WeakPolarHBondContact OH-CA 3.32Å; Y361-S364 WeakPolarHBondContact CE2-OG 3.48Å; Y361-S364 WeakPolarHBondContact OH-CB 3.49Å; Y361-S364 PolarHBondContact OH-N 3.26Å; Y361-S364 PolarHBondContact OH-OG 2.61Å; Y361-R504 HydrophobicContact CE2-CB 4.22Å; Y361-R504 HydrophobicContact CE2-CG 4.42Å; Y361-Y506 HydrophobicContact CD2-CD1 4.42Å; Y361-Y506 AromaticContact CD2-CE1 3.76Å; Y361-Y506 HydrophobicContact CD2-CE1 3.76Å; Y361-Y506 HydrophobicContact CG-CE1 4.26Å
362I94.8Very high88.4Confident15 Ų1533 Ų338%0.07716%0.162CC..EExtended strand (participates in β ladder)trans-98.6-69.4176.9-55.2-58.2000109.8T360 L505 W507 V522 L525T360-I362 HydrophobicContact CG2-CD1 4.26Å; T360-I362 PolarHBondContact O-N 2.99Å; I362-L505 HydrophobicContact CB-CB 4.32Å; I362-L505 HydrophobicContact CB-CD2 4Å; I362-L505 HydrophobicContact CB-CG 4.15Å; I362-L505 HydrophobicContact CG1-CD2 4.17Å; I362-L505 HydrophobicContact CG1-CG 4.18Å; I362-L505 HydrophobicContact CG2-CD2 4.07Å; I362-L505 PolarHBondContact N-O 3.27Å; I362-W507 HydrophobicContact CD1-CB 4.38Å; I362-V522 HydrophobicContact CD1-CG1 4.3Å; I362-V522 HydrophobicContact CD1-CG2 4.28Å; I362-L525 HydrophobicContact CD1-CB 4.02Å; I362-L525 HydrophobicContact CD1-CD1 3.67Å; I362-L525 HydrophobicContact CG1-CB 4.17Å; I362-L525 HydrophobicContact CG1-CD1 3.95Å; I362-L525 HydrophobicContact CG2-CB 4.01Å
363D93.5Very high86.9Confident31 Ų3132.1 Ų32.117%0.16616%0.16CC..EExtended strand (participates in β ladder)trans-157.8174.7178.3-146-23.7000110.9Y361 R426 L505 F529Y361-D363 VanDerWaalsContact CZ-C 3.5Å; Y361-D363 WeakPolarHBondContact OH-CA 3.32Å; D363-R426 IonicContact OD1-NE 2.68Å; D363-R426 IonicContact OD2-CZ 2.97Å; D363-R426 IonicContact OD2-NE 3.76Å; D363-R426 PolarHBondContact OD2-NE 3.05Å; D363-R426 IonicContact OD2-NH2 3.99Å; D363-R426 PolarHBondContact OD2-NH2 3.42Å; D363-L505 PolarHBondContact O-N 3.07Å; D363-F529 HydrophobicContact CB-CD1 3.93Å; D363-F529 HydrophobicContact CB-CD2 4.12Å; D363-F529 HydrophobicContact CB-CE1 3.89Å; D363-F529 HydrophobicContact CB-CE2 4.06Å; D363-F529 HydrophobicContact CB-CG 4.08Å; D363-F529 HydrophobicContact CB-CZ 3.95Å
364S91.6Very high85.2Confident1 Ų136.7 Ų36.71%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-128.8148.9177.3-55.80000110.9Y361 Y366 Y503 R504Y361-S364 WeakPolarHBondContact CE2-OG 3.48Å; Y361-S364 WeakPolarHBondContact OH-CB 3.49Å; Y361-S364 PolarHBondContact OH-N 3.26Å; Y361-S364 PolarHBondContact OH-OG 2.61Å; S364-Y366 VanDerWaalsContact CB-CE2 3.47Å; S364-Y503 CarbonylContact C-O 3.58Å; S364-Y503 VanDerWaalsContact CA-O 3.24Å; S364-Y503 WeakPolarHBondContact CA-O 3.41Å; S364-R504 WeakPolarHBondContact OG-CG 3.15Å
365I90.6Very high83.1Confident0 Ų036.9 Ų36.90%019%0.187CC..EExtended strand (participates in β ladder)trans-124.5138.5165.1-170.8163.8000109.7R426 F428 Y503 F529 W532 H533I365-R426 WeakPolarHBondContact CA-O 3.33Å; I365-F428 HydrophobicContact CD1-CD1 3.57Å; I365-F428 HydrophobicContact CD1-CD2 4.01Å; I365-F428 HydrophobicContact CD1-CE1 3.56Å; I365-F428 HydrophobicContact CD1-CE2 4Å; I365-F428 HydrophobicContact CD1-CG 3.81Å; I365-F428 HydrophobicContact CD1-CZ 3.79Å; I365-F428 HydrophobicContact CG1-CD1 4.4Å; I365-F428 HydrophobicContact CG1-CD2 3.93Å; I365-F428 HydrophobicContact CG1-CE1 4.35Å; I365-F428 HydrophobicContact CG1-CE2 3.88Å; I365-F428 HydrophobicContact CG1-CG 4.2Å; I365-F428 HydrophobicContact CG1-CZ 4.1Å; I365-F428 HydrophobicContact CG2-CE2 3.93Å; I365-F428 HydrophobicContact CG2-CZ 3.78Å; I365-Y503 HydrophobicContact CG2-CD2 4.22Å; I365-Y503 HydrophobicContact CG2-CG 4.43Å; I365-Y503 PolarHBondContact N-O 3.23Å; I365-Y503 PolarHBondContact O-N 3.02Å; I365-F529 HydrophobicContact CB-CZ 4.12Å; I365-F529 HydrophobicContact CG2-CZ 4.48Å; I365-W532 HydrophobicContact CB-CZ3 4.49Å; I365-W532 HydrophobicContact CD1-CH2 3.89Å; I365-W532 HydrophobicContact CD1-CZ3 3.82Å; I365-W532 HydrophobicContact CG2-CH2 4.03Å; I365-W532 HydrophobicContact CG2-CZ3 4.09Å; I365-H533 VanDerWaalsContact CD1-CD2 3.42Å; I365-H533 WeakPolarHBondContact CD1-CD2 3.2Å
366Y85.8Confident80.7Confident25 Ų2538.2 Ų38.210%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-112.8130.1-175.7-60.3-95.4000110.3S364 Y425 R426 T427 F428 I500 R501 A502S364-Y366 VanDerWaalsContact CB-CE2 3.47Å; Y366-Y425 AromaticContact CD2-CD1 3.85Å; Y366-Y425 HydrophobicContact CD2-CD1 3.85Å; Y366-Y425 HydrophobicContact CD2-CG 4.2Å; Y366-Y425 HydrophobicContact CE1-CD1 4.4Å; Y366-Y425 HydrophobicContact CE1-CE1 4.45Å; Y366-Y425 AromaticContact CE2-CD1 3.27Å; Y366-Y425 HydrophobicContact CE2-CD1 3.27Å; Y366-Y425 AromaticContact CE2-CE1 3.95Å; Y366-Y425 HydrophobicContact CE2-CE1 3.95Å; Y366-Y425 HydrophobicContact CE2-CG 4.07Å; Y366-Y425 AromaticContact CZ-CD1 3.59Å; Y366-Y425 AromaticContact CZ-CE1 3.76Å; Y366-R426 WeakPolarHBondContact CD2-O 2.93Å; Y366-R426 PolarHBondContact N-O 3.41Å; Y366-T427 WeakPolarHBondContact O-CA 3.31Å; Y366-T427 WeakPolarHBondContact O-CB 3.27Å; Y366-F428 PolarHBondContact O-N 3.17Å; Y366-I500 HydrophobicContact CD1-CG2 3.85Å; Y366-R501 CarbonylContact C-O 3.41Å; Y366-R501 WeakPolarHBondContact CA-O 3.49Å; Y366-A502 HydrophobicContact CD1-CB 3.57Å; Y366-A502 HydrophobicContact CE1-CB 3.44Å; Y366-A502 VanDerWaalsContact CE1-CB 3.44Å
367E82.4Confident77.8Confident18 Ų1838.3 Ų38.38%0.08419%0.194CC..EExtended strand (participates in β ladder)trans-104.5129.1168-176.6-176.4-166.400107.8F428 I500 R501 Y503E367-F428 HydrophobicContact CB-CD2 3.86Å; E367-F428 HydrophobicContact CB-CE2 4.15Å; E367-F428 HydrophobicContact CG-CD2 4.45Å; E367-I500 CarbonylContact O-C 3.56Å; E367-I500 WeakPolarHBondContact O-CA 3.46Å; E367-R501 HydrophobicContact CB-CB 4.24Å; E367-R501 PolarHBondContact N-O 3.36Å; E367-R501 PolarHBondContact O-N 3.43Å; E367-R501 WeakPolarHBondContact OE2-CD 3.46Å; E367-R501 IonicContact OE2-NH1 3.84Å; E367-Y503 HydrophobicContact CB-CE2 4.17Å; E367-Y503 PolarHBondContact OE2-OH 3.18Å; E367-Y503 VanDerWaalsContact OE2-OH 3.14Å
368M77.4Confident74.7Confident39 Ų3945.6 Ų45.619%0.19223%0.233CC..EExtended strand (participates in β ladder)trans-119.7126.1179.9-55.2-160.6-170.700109.6Y370 I421 T427 R498 V499 I500M368-Y370 HydrophobicContact CB-CE2 4.35Å; M368-I421 HydrophobicContact CE-CB 4.2Å; M368-I421 HydrophobicContact CE-CD1 3.37Å; M368-I421 HydrophobicContact CE-CG1 3.47Å; M368-I421 VanDerWaalsContact CE-CG1 3.47Å; M368-I421 HydrophobicContact CE-CG2 3.75Å; M368-I421 HydrophobicContact CG-CD1 4.22Å; M368-I421 HydrophobicContact SD-CD1 3.22Å; M368-I421 WeakPolarHBondContact SD-CD1 3.48Å; M368-I421 HydrophobicContact SD-CG1 3.43Å; M368-I421 WeakPolarHBondContact SD-CG1 3.37Å; M368-T427 HydrophobicContact CE-CG2 4.49Å; M368-R498 PolarHBondContact SD-NH2 2.83Å; M368-V499 WeakPolarHBondContact CA-O 3.09Å; M368-I500 HydrophobicContact CE-CD1 4.46Å; M368-I500 HydrophobicContact CE-CG1 4.45Å; M368-I500 HydrophobicContact CE-CG2 4.37Å; M368-I500 HydrophobicContact CG-CG1 4.05Å; M368-I500 HydrophobicContact CG-CG2 4.38Å; M368-I500 HydrophobicContact SD-CD1 4.33Å; M368-I500 HydrophobicContact SD-CG1 4.06Å
369T75.7Confident71.5Confident18 Ų1848.4 Ų48.411%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-118131.4174.5-44.50000108.3Y371 I387 V499T369-Y371 HydrophobicContact CG2-CD2 4.32Å; T369-Y371 HydrophobicContact CG2-CE1 4.22Å; T369-Y371 HydrophobicContact CG2-CE2 3.65Å; T369-I387 HydrophobicContact CG2-CG1 4.48Å; T369-V499 PolarHBondContact N-O 3.15Å; T369-V499 PolarHBondContact O-N 3.02Å
370Y73.3Confident68.3Low31 Ų3157.6 Ų57.612%0.12229%0.291CS..EExtended strand (participates in β ladder)trans-108.8128.1172.8-59.5-91.3000108.1M368 P390 I393 C417 R498M368-Y370 HydrophobicContact CB-CE2 4.35Å; Y370-P390 HydrophobicContact CD2-CG 4.01Å; Y370-P390 HydrophobicContact CE2-CB 4.4Å; Y370-P390 HydrophobicContact CE2-CG 3.76Å; Y370-I393 HydrophobicContact CG-CD1 4.22Å; Y370-C417 HydrophobicContact CD1-CB 4.42Å; Y370-C417 HydrophobicContact CE1-CB 4.36Å; Y370-R498 HydrophobicContact CD1-CB 4.23Å; Y370-R498 HydrophobicContact CD1-CG 4.14Å; Y370-R498 HydrophobicContact CE1-CB 4.28Å; Y370-R498 HydrophobicContact CE1-CG 3.8Å
371Y71.8Confident65Low55 Ų5561.5 Ų61.522%0.21632%0.317CS..EExtended strand (participates in β ladder)trans-103.3119172.3-60.5-89.7000107.5T369 S478 P496 L497 V499T369-Y371 HydrophobicContact CG2-CD2 4.32Å; T369-Y371 HydrophobicContact CG2-CE1 4.22Å; T369-Y371 HydrophobicContact CG2-CE2 3.65Å; Y371-S478 PolarHBondContact O-OG 2.75Å; Y371-S478 VanDerWaalsContact O-OG 3.09Å; Y371-P496 WeakPolarHBondContact O-CA 3.31Å; Y371-L497 HydrophobicContact CD2-CB 4.41Å; Y371-L497 HydrophobicContact CD2-CD2 4.28Å; Y371-L497 PolarHBondContact N-O 2.92Å; Y371-L497 PolarHBondContact O-N 2.58Å; Y371-L497 VanDerWaalsContact O-N 3.08Å; Y371-V499 HydrophobicContact CD2-CG2 3.91Å; Y371-V499 HydrophobicContact CE2-CB 4.09Å; Y371-V499 HydrophobicContact CE2-CG2 3.58Å
372A68.4Low61.8Low20 Ų2066.6 Ų66.617%0.16534%0.342CS..PPolyproline II helixtrans-63.2152.3174.100000110K388 I393 S478A372-K388 HydrophobicContact CB-CD 4.11Å; A372-I393 HydrophobicContact CB-CG1 4.18Å; A372-S478 PolarHBondContact O-OG 3.07Å
373P65Low58.6Low12 Ų1271.1 Ų71.18%0.07838%0.375CS..PPolyproline II helixtrans-53144.1160.2-25.536.7000110.4V375 S494 P496P373-V375 PolarHBondContact O-N 2.98Å; P373-V375 VanDerWaalsContact O-N 3.09Å; P373-S494 WeakPolarHBondContact CG-O 3.37Å; P373-P496 HydrophobicContact CG-CG 4.14Å
374I60.9Low55.6Low100 Ų10078.5 Ų78.551%0.51341%0.406SS..  trans-67.9109.8168.8-60.1171.5000105.8
375V51.3Low53Low73 Ų7385.3 Ų85.344%0.44244%0.443SS..  trans-78.4125.3-178.1-1730000108.8P373 N377 I396P373-V375 PolarHBondContact O-N 2.98Å; P373-V375 VanDerWaalsContact O-N 3.09Å; V375-N377 HydrophobicContact CG1-CB 4.36Å; V375-N377 PolarHBondContact O-N 3Å; V375-I396 HydrophobicContact CG2-CG2 3.47Å; V375-I396 VanDerWaalsContact CG2-CG2 3.47Å
376E43.4Very low51.1Low101 Ų10188.5 Ų88.547%0.47247%0.465SS..  trans-71.913.5-176.3-66.7174.5-17400114.9R480E376-R480 IonicContact OE1-NH2 3.88Å
377N33.6Very low49.4Very low117 Ų11790.5 Ų90.563%0.62648%0.477SS*.  trans-108.3107.8-175.7-83.5-15.2000113.4V375 S379V375-N377 HydrophobicContact CG1-CB 4.36Å; V375-N377 PolarHBondContact O-N 3Å; N377-S379 PolarHBondContact O-N 3.3Å
378N28.7Very low48Very low179 Ų17993.7 Ų93.796%0.95749%0.49SS*.  trans-69.646.9173.9-84.8-23.3000114.6
379S28.7Very low47Very low80 Ų8094.2 Ų94.256%0.55950%0.498SS*.  trans-12211.2-178.948.20000116.6N377N377-S379 PolarHBondContact O-N 3.3Å
380Y27.5Very low45.9Very low203 Ų20395 Ų9580%0.79650%0.504SS*.  trans-137.1112.6168.3-73.7-79.3000112.6H382Y380-H382 PolarHBondContact O-N 2.81Å; Y380-H382 VanDerWaalsContact O-N 3.11Å
381P25.3Very low44.9Very low114 Ų11498.1 Ų98.174%0.7452%0.522SS*.  trans-85.178.3176.234.7-30.3000109.2
382H29Very low44.2Very low166 Ų16698.9 Ų98.977%0.76953%0.529SS*.  trans-135.1134.9165.1-73.6-54.9000110.7Y380Y380-H382 PolarHBondContact O-N 2.81Å; Y380-H382 VanDerWaalsContact O-N 3.11Å
383S28Very low43.6Very low110 Ų11098.1 Ų98.177%0.76952%0.523SS*.  trans-44.4133.5-172.145.10000113.9N385S383-N385 PolarHBondContact O-N 3.28Å
384F29.6Very low42.8Very low187 Ų18799.3 Ų99.382%0.8253%0.528SS*.  trans-60.493.4176-93.4-94.8000111.5
385N37.8Very low42.4Very low143 Ų143100.2 Ų100.277%0.76553%0.53SS*.  trans-104.3109153.3-93.1-20.7000107.7S383 I387S383-N385 PolarHBondContact O-N 3.28Å; N385-I387 PolarHBondContact O-N 3.4Å
386S50.3Low42.5Very low67 Ų6797.5 Ų97.547%0.46951%0.513SS..  trans-75.927.8-166.670.90000115.5
387I50.2Low42.8Very low68 Ų6892.7 Ų92.735%0.34949%0.491SS..  trans-129117-175.1-57.1175.4000107.3T369 N385T369-I387 HydrophobicContact CG2-CG1 4.48Å; N385-I387 PolarHBondContact O-N 3.4Å
388K53.5Low43.5Very low84 Ų8488.8 Ų88.837%0.36547%0.471SS..  trans-120.6154.8178.3-72.2-173.8176.5-172.70109.5A372 L392 I393 I396A372-K388 HydrophobicContact CB-CD 4.11Å; K388-L392 HydrophobicContact CB-CD2 4.03Å; K388-L392 HydrophobicContact CB-CG 4.46Å; K388-L392 HydrophobicContact CD-CD2 3.7Å; K388-L392 HydrophobicContact CD-CG 4.11Å; K388-L392 HydrophobicContact CG-CD2 3.87Å; K388-I393 HydrophobicContact CB-CD1 3.95Å; K388-I393 HydrophobicContact CB-CG1 3.57Å; K388-I393 WeakPolarHBondContact O-CD1 3.39Å; K388-I396 HydrophobicContact CD-CD1 3.45Å; K388-I396 VanDerWaalsContact CD-CD1 3.45Å
389S54.6Low44.3Very low51 Ų5185.8 Ų85.836%0.35745%0.451SS..  trans-62.6150.8174.562.60000110.4D391 L392 I393S389-D391 PolarHBondContact O-N 2.98Å; S389-L392 PolarHBondContact O-N 3.08Å; S389-L392 VanDerWaalsContact OG-CB 3.3Å; S389-L392 WeakPolarHBondContact OG-CB 3.08Å; S389-L392 PolarHBondContact OG-N 3.14Å; S389-I393 WeakPolarHBondContact O-CG1 3.08Å; S389-I393 PolarHBondContact O-N 3.44Å
390P53.6Low45Very low35 Ų3583.9 Ų83.923%0.22744%0.438CS..Hα-helixtrans-54-36.8178-25.834.1000113.2Y370 I393 N394Y370-P390 HydrophobicContact CD2-CG 4.01Å; Y370-P390 HydrophobicContact CE2-CB 4.4Å; Y370-P390 HydrophobicContact CE2-CG 3.76Å; P390-I393 PolarHBondContact O-N 3.3Å; P390-N394 WeakPolarHBondContact O-CB 3.49Å; P390-N394 PolarHBondContact O-N 3.06Å
391D52.3Low45.8Very low96 Ų9676 Ų7651%0.51341%0.41SS..Hα-helixtrans-69.2-44.4179.7-58.8-36.7000111.8S389 I393 N394 E395S389-D391 PolarHBondContact O-N 2.98Å; D391-I393 VanDerWaalsContact C-N 3.31Å; D391-I393 PolarHBondContact O-N 2.99Å; D391-N394 PolarHBondContact O-N 2.91Å; D391-N394 VanDerWaalsContact O-N 3.15Å; D391-E395 PolarHBondContact O-N 3.12Å
392L56.3Low46.6Very low70 Ų7074 Ų7437%0.36640%0.396SS..Hα-helixtrans-65.5-34.4175.4-175.865.3000111.8K388 S389 E395 I396K388-L392 HydrophobicContact CB-CD2 4.03Å; K388-L392 HydrophobicContact CB-CG 4.46Å; K388-L392 HydrophobicContact CD-CD2 3.7Å; K388-L392 HydrophobicContact CD-CG 4.11Å; K388-L392 HydrophobicContact CG-CD2 3.87Å; S389-L392 PolarHBondContact O-N 3.08Å; S389-L392 VanDerWaalsContact OG-CB 3.3Å; S389-L392 WeakPolarHBondContact OG-CB 3.08Å; S389-L392 PolarHBondContact OG-N 3.14Å; L392-E395 PolarHBondContact O-N 3.3Å; L392-I396 HydrophobicContact CG-CD1 4.19Å; L392-I396 WeakPolarHBondContact O-CD1 3.41Å; L392-I396 VanDerWaalsContact O-CG1 3.22Å; L392-I396 WeakPolarHBondContact O-CG1 3.32Å; L392-I396 PolarHBondContact O-N 3.08Å
393I55.9Low47.1Very low4 Ų472.7 Ų72.72%0.02139%0.393CS..Hα-helixtrans-68.2-38.7174.1-68.5174.3000110.7Y370 A372 K388 S389 P390 D391 I396 A397 P496Y370-I393 HydrophobicContact CG-CD1 4.22Å; A372-I393 HydrophobicContact CB-CG1 4.18Å; K388-I393 HydrophobicContact CB-CD1 3.95Å; K388-I393 HydrophobicContact CB-CG1 3.57Å; K388-I393 WeakPolarHBondContact O-CD1 3.39Å; S389-I393 WeakPolarHBondContact O-CG1 3.08Å; S389-I393 PolarHBondContact O-N 3.44Å; P390-I393 PolarHBondContact O-N 3.3Å; D391-I393 VanDerWaalsContact C-N 3.31Å; D391-I393 PolarHBondContact O-N 2.99Å; I393-I396 PolarHBondContact O-N 3.19Å; I393-A397 WeakPolarHBondContact O-CB 3.31Å; I393-A397 PolarHBondContact O-N 3.34Å; I393-P496 HydrophobicContact CG2-CB 3.65Å; I393-P496 HydrophobicContact CG2-CG 3.67Å
394N49.2Very low47.8Very low38 Ų3871.8 Ų71.820%0.20337%0.373CS..Hα-helixtrans-68.7-36.2175.4-170.152.8000111.2P390 D391 A397 T398P390-N394 WeakPolarHBondContact O-CB 3.49Å; P390-N394 PolarHBondContact O-N 3.06Å; D391-N394 PolarHBondContact O-N 2.91Å; D391-N394 VanDerWaalsContact O-N 3.15Å; N394-A397 PolarHBondContact O-N 2.94Å; N394-T398 WeakPolarHBondContact O-CA 3.3Å; N394-T398 WeakPolarHBondContact O-CB 3.31Å; N394-T398 PolarHBondContact O-N 3.35Å; N394-T398 PolarHBondContact O-OG1 2.96Å
395E53.1Low48.2Very low118 Ų11867.7 Ų67.755%0.55137%0.367SS*.Hα-helixtrans-60-49.2170.6-76177.3174.900110.9D391 L392 A397 T398 E399D391-E395 PolarHBondContact O-N 3.12Å; L392-E395 PolarHBondContact O-N 3.3Å; E395-A397 PolarHBondContact O-N 3.5Å; E395-T398 CarbonylContact O-C 3.6Å; E395-T398 PolarHBondContact O-N 3.37Å; E395-E399 VanDerWaalsContact O-CB 3.32Å; E395-E399 WeakPolarHBondContact O-CB 3.47Å; E395-E399 VanDerWaalsContact O-CG 3.31Å; E395-E399 WeakPolarHBondContact O-CG 3.5Å; E395-E399 PolarHBondContact O-N 3.03Å
396I52.3Low48.4Very low17 Ų1766.2 Ų66.29%0.08736%0.357CS..Hα-helixtrans-62.6-42.2177.2-66.9162.2000112V375 K388 L392 I393 E399 S400V375-I396 HydrophobicContact CG2-CG2 3.47Å; V375-I396 VanDerWaalsContact CG2-CG2 3.47Å; K388-I396 HydrophobicContact CD-CD1 3.45Å; K388-I396 VanDerWaalsContact CD-CD1 3.45Å; L392-I396 HydrophobicContact CG-CD1 4.19Å; L392-I396 WeakPolarHBondContact O-CD1 3.41Å; L392-I396 VanDerWaalsContact O-CG1 3.22Å; L392-I396 WeakPolarHBondContact O-CG1 3.32Å; L392-I396 PolarHBondContact O-N 3.08Å; I393-I396 PolarHBondContact O-N 3.19Å; I396-E399 PolarHBondContact O-N 2.67Å; I396-S400 PolarHBondContact O-N 2.91Å
397A49.5Very low48Very low0 Ų066.6 Ų66.60%037%0.372CS..Hα-helixtrans-68.9-40.617800000111I393 N394 E395 S400 L401 P496I393-A397 WeakPolarHBondContact O-CB 3.31Å; I393-A397 PolarHBondContact O-N 3.34Å; N394-A397 PolarHBondContact O-N 2.94Å; E395-A397 PolarHBondContact O-N 3.5Å; A397-S400 CarbonylContact O-C 3.49Å; A397-S400 WeakPolarHBondContact O-CB 3.34Å; A397-S400 PolarHBondContact O-N 3.42Å; A397-S400 PolarHBondContact O-OG 2.94Å; A397-L401 WeakPolarHBondContact O-CD1 3.5Å; A397-L401 VanDerWaalsContact O-CG 3.29Å; A397-L401 WeakPolarHBondContact O-CG 3.33Å; A397-L401 PolarHBondContact O-N 2.71Å; A397-P496 HydrophobicContact CB-CG 3.98Å
398T49.1Very low47.6Very low34 Ų3467.6 Ų67.621%0.20938%0.378CS..Hα-helixtrans-67.8-38.4176.5-53.20000110.2N394 E395 S400 L401 T402 P412N394-T398 WeakPolarHBondContact O-CA 3.3Å; N394-T398 WeakPolarHBondContact O-CB 3.31Å; N394-T398 PolarHBondContact O-N 3.35Å; N394-T398 PolarHBondContact O-OG1 2.96Å; E395-T398 CarbonylContact O-C 3.6Å; E395-T398 PolarHBondContact O-N 3.37Å; T398-S400 VanDerWaalsContact C-N 3.33Å; T398-L401 CarbonylContact O-C 3.58Å; T398-L401 WeakPolarHBondContact O-CA 3.49Å; T398-L401 WeakPolarHBondContact O-CB 3.4Å; T398-L401 PolarHBondContact O-N 3.36Å; T398-L401 VanDerWaalsContact O-N 3.13Å; T398-T402 HydrophobicContact CG2-CG2 4.12Å; T398-T402 WeakPolarHBondContact O-CB 3.33Å; T398-T402 WeakPolarHBondContact O-CG2 3.49Å; T398-T402 PolarHBondContact O-N 3.38Å; T398-T402 PolarHBondContact O-OG1 3.49Å; T398-P412 HydrophobicContact CG2-CB 4.03Å
399E44.9Very low46.6Very low116 Ų11667.4 Ų67.454%0.54240%0.4SS..Hα-helixtrans-60.2-42169.3-79-179.617300111.3E395 I396 L401 T402 L403E395-E399 VanDerWaalsContact O-CB 3.32Å; E395-E399 WeakPolarHBondContact O-CB 3.47Å; E395-E399 VanDerWaalsContact O-CG 3.31Å; E395-E399 WeakPolarHBondContact O-CG 3.5Å; E395-E399 PolarHBondContact O-N 3.03Å; I396-E399 PolarHBondContact O-N 2.67Å; E399-L401 VanDerWaalsContact C-N 3.25Å; E399-L401 PolarHBondContact O-N 2.75Å; E399-T402 VanDerWaalsContact CA-OG1 3.27Å; E399-T402 WeakPolarHBondContact CA-OG1 3.45Å; E399-T402 PolarHBondContact O-N 3.19Å; E399-T402 PolarHBondContact O-OG1 3.02Å; E399-L403 VanDerWaalsContact O-CB 3.22Å; E399-L403 WeakPolarHBondContact O-CB 3.29Å; E399-L403 WeakPolarHBondContact O-CD1 3.12Å; E399-L403 VanDerWaalsContact O-CG 3.24Å; E399-L403 WeakPolarHBondContact O-CG 3.49Å; E399-L403 PolarHBondContact O-N 3.19Å
400S43.4Very low45.9Very low41 Ų4169.7 Ų69.729%0.28741%0.408SS..Hα-helixtrans-64.4-30.7174.187.10000112.9I396 A397 T398I396-S400 PolarHBondContact O-N 2.91Å; A397-S400 CarbonylContact O-C 3.49Å; A397-S400 WeakPolarHBondContact O-CB 3.34Å; A397-S400 PolarHBondContact O-N 3.42Å; A397-S400 PolarHBondContact O-OG 2.94Å; T398-S400 VanDerWaalsContact C-N 3.33Å
401L44.1Very low45.2Very low37 Ų3770.3 Ų70.319%0.19442%0.42CS..Hα-helixtrans-80.4-38.5176.2-73156.5000112.2A397 T398 E399 R413 Y493A397-L401 WeakPolarHBondContact O-CD1 3.5Å; A397-L401 VanDerWaalsContact O-CG 3.29Å; A397-L401 WeakPolarHBondContact O-CG 3.33Å; A397-L401 PolarHBondContact O-N 2.71Å; T398-L401 CarbonylContact O-C 3.58Å; T398-L401 WeakPolarHBondContact O-CA 3.49Å; T398-L401 WeakPolarHBondContact O-CB 3.4Å; T398-L401 PolarHBondContact O-N 3.36Å; T398-L401 VanDerWaalsContact O-N 3.13Å; E399-L401 VanDerWaalsContact C-N 3.25Å; E399-L401 PolarHBondContact O-N 2.75Å; L401-R413 WeakPolarHBondContact CD1-O 3.44Å; L401-Y493 HydrophobicContact CD2-CE2 3.76Å; L401-Y493 HydrophobicContact CG-CE2 4.16Å
402T41.3Very low44.7Very low73 Ų7370.4 Ų70.445%0.44843%0.426SS..Hα-helixtrans-79-24.6-179.950.90000112.3T398 E399 R404 P412T398-T402 HydrophobicContact CG2-CG2 4.12Å; T398-T402 WeakPolarHBondContact O-CB 3.33Å; T398-T402 WeakPolarHBondContact O-CG2 3.49Å; T398-T402 PolarHBondContact O-N 3.38Å; T398-T402 PolarHBondContact O-OG1 3.49Å; E399-T402 VanDerWaalsContact CA-OG1 3.27Å; E399-T402 WeakPolarHBondContact CA-OG1 3.45Å; E399-T402 PolarHBondContact O-N 3.19Å; E399-T402 PolarHBondContact O-OG1 3.02Å; T402-R404 PolarHBondContact O-N 2.92Å; T402-R404 VanDerWaalsContact O-N 3.14Å; T402-P412 HydrophobicContact CG2-CB 4.35Å
403L40.8Very low44.4Very low137 Ų13772.8 Ų72.872%0.71743%0.43SS*.THydrogen-bonded Turntrans-69.8-2.4173.3-79.8164.5000114.2E399E399-L403 VanDerWaalsContact O-CB 3.22Å; E399-L403 WeakPolarHBondContact O-CB 3.29Å; E399-L403 WeakPolarHBondContact O-CD1 3.12Å; E399-L403 VanDerWaalsContact O-CG 3.24Å; E399-L403 WeakPolarHBondContact O-CG 3.49Å; E399-L403 PolarHBondContact O-N 3.19Å
404R42.5Very low44.1Very low92 Ų9279.9 Ų79.935%0.34746%0.461SS..THydrogen-bonded Turntrans-133.745.5173.8-69.1-162.3-170132.83.5115.1T402 M406 T492T402-R404 PolarHBondContact O-N 2.92Å; T402-R404 VanDerWaalsContact O-N 3.14Å; R404-M406 PolarHBondContact O-N 3.12Å; R404-T492 VanDerWaalsContact NH1-C 3.32Å; R404-T492 PolarHBondContact NH1-O 3.06Å; R404-T492 PolarHBondContact NH2-O 2.83Å
405S37Very low44.3Very low100 Ų10078.4 Ų78.470%0.69945%0.454SS*.  trans-71.470.1152.2690000110.5G407S405-G407 PolarHBondContact O-N 2.97Å
406M42.5Very low44.2Very low112 Ų11275.2 Ų75.255%0.55244%0.44SS*.SBendtrans-71.447161.6-75.3-166.9167.500110.7R404 L408R404-M406 PolarHBondContact O-N 3.12Å; M406-L408 VanDerWaalsContact C-N 3.25Å; M406-L408 PolarHBondContact O-N 3.41Å
407G41.5Very low44.2Very low76 Ų7675 Ų7578%0.78444%0.44SS*.SBendtrans6714.6177.400000116.1S405 G409S405-G407 PolarHBondContact O-N 2.97Å; G407-G409 VanDerWaalsContact C-N 3.35Å; G407-G409 PolarHBondContact O-N 2.93Å
408L41.6Very low44.2Very low88 Ų8880.3 Ų80.346%0.46146%0.461SS..  trans-84.47.7-170.8-74.1168.9000115.8M406 L410M406-L408 VanDerWaalsContact C-N 3.25Å; M406-L408 PolarHBondContact O-N 3.41Å; L408-L410 PolarHBondContact O-N 3.35Å
409G34.2Very low44.4Very low81 Ų8183.7 Ų83.784%0.83547%0.474SS*.  trans63.58.217300000116G407 G411G407-G409 VanDerWaalsContact C-N 3.35Å; G407-G409 PolarHBondContact O-N 2.93Å; G409-G411 PolarHBondContact O-N 3.28Å
410L38.8Very low44.6Very low99 Ų9983.2 Ų83.252%0.51848%0.481SS..  trans-88.498.8173.5-64.5169.6000107.3L408L408-L410 PolarHBondContact O-N 3.35Å
411G38.5Very low45.1Very low48 Ų4883.9 Ų83.950%0.49548%0.481SS..  trans-56.5170.2172.300000112.2G409 R413G409-G411 PolarHBondContact O-N 3.28Å; G411-R413 PolarHBondContact O-N 2.89Å
412P43.4Very low45.8Very low98 Ų9884.2 Ų84.264%0.63649%0.487SS*.  trans-59102.3-179.524-32.1000109.7T398 T402T398-P412 HydrophobicContact CG2-CB 4.03Å; T402-P412 HydrophobicContact CG2-CB 4.35Å
413R49.4Very low46.3Very low120 Ų12086.7 Ų86.745%0.45350%0.504SS..PPolyproline II helixtrans-89.3127.4177-73-171.9175.7-167-0.6108.2E252 L401 G411 S415E252-R413 VanDerWaalsContact CD-NH1 3.34Å; E252-R413 IonicContact OE2-CZ 2.78Å; E252-R413 IonicContact OE2-NH1 3.98Å; E252-R413 PolarHBondContact OE2-NH1 2.65Å; E252-R413 IonicContact OE2-NH2 3.36Å; L401-R413 WeakPolarHBondContact CD1-O 3.44Å; G411-R413 PolarHBondContact O-N 2.89Å; R413-S415 PolarHBondContact O-N 3.45Å
414K49.2Very low47.2Very low152 Ų15290 Ų9066%0.66151%0.508SS*.PPolyproline II helixtrans-59.9135.3177-70.9-179174.1-177.20110.1
415S52.5Low48.5Very low7 Ų789.1 Ų89.15%0.04951%0.505CS..PPolyproline II helixtrans-54.3147.3170.2161.30000110.3R413 C417 Y418 E495R413-S415 PolarHBondContact O-N 3.45Å; S415-C417 PolarHBondContact O-N 3.29Å; S415-C417 VanDerWaalsContact OG-CB 3.29Å; S415-C417 WeakPolarHBondContact OG-CB 3.39Å; S415-C417 PolarHBondContact OG-N 3.06Å; S415-C417 VanDerWaalsContact OG-N 3.09Å; S415-C417 PolarHBondContact OG-SG 3.45Å; S415-C417 VanDerWaalsContact OG-SG 3.34Å; S415-Y418 PolarHBondContact O-N 3.48Å; S415-E495 PolarHBondContact OG-OE1 2.49Å
416L52.5Low50.4Low51 Ų5187.5 Ų87.527%0.26748%0.484SS..G310 helixtrans-58.5-17.2173.3-76.9173.6000112.9L255 F258 Y418 E419 E495L255-L416 VanDerWaalsContact C-CD1 3.4Å; L255-L416 HydrophobicContact CB-CD1 3.59Å; L255-L416 HydrophobicContact CB-CG 4.21Å; L255-L416 HydrophobicContact CD2-CD1 4.09Å; L255-L416 HydrophobicContact CD2-CG 4.49Å; L255-L416 HydrophobicContact CG-CD1 4.4Å; L255-L416 WeakPolarHBondContact O-CD1 3.38Å; F258-L416 HydrophobicContact CB-CD1 4.46Å; L416-Y418 PolarHBondContact O-N 3.05Å; L416-E419 PolarHBondContact O-N 2.89Å; L416-E495 PolarHBondContact N-OE1 3.45Å
417C50.7Low52Low12 Ų1283.9 Ų83.98%0.08147%0.468CS..G310 helixtrans-60.6-15.7177.4-67.10000113.7Y370 S415 P496Y370-C417 HydrophobicContact CD1-CB 4.42Å; Y370-C417 HydrophobicContact CE1-CB 4.36Å; S415-C417 PolarHBondContact O-N 3.29Å; S415-C417 VanDerWaalsContact OG-CB 3.29Å; S415-C417 WeakPolarHBondContact OG-CB 3.39Å; S415-C417 PolarHBondContact OG-N 3.06Å; S415-C417 VanDerWaalsContact OG-N 3.09Å; S415-C417 PolarHBondContact OG-SG 3.45Å; S415-C417 VanDerWaalsContact OG-SG 3.34Å; C417-P496 PolarHBondContact SG-O 3.45Å
418Y50.2Low53.3Low112 Ų11280.6 Ų80.644%0.43943%0.432SS..G310 helixtrans-100.318.2-179.2-145.1-91.2000115.2S415 L416 P420S415-Y418 PolarHBondContact O-N 3.48Å; L416-Y418 PolarHBondContact O-N 3.05Å; Y418-P420 WeakPolarHBondContact O-CD 3.38Å
419E53.6Low54.2Low105 Ų10577.6 Ų77.649%0.49142%0.423SS..SBendtrans-60111.9161.3-87.2-169176.600108.2L416 I421 R498L416-E419 PolarHBondContact O-N 2.89Å; E419-I421 PolarHBondContact O-N 3.41Å; E419-R498 PolarHBondContact O-NH1 3.19Å
420P48.9Very low55Low107 Ų10778.7 Ų78.770%0.69541%0.413SS*.PPolyproline II helixtrans-58.7139.5-17523.6-31.4000107.9Y418 S422Y418-P420 WeakPolarHBondContact O-CD 3.38Å; P420-S422 PolarHBondContact O-N 3Å
421I53.4Low55.5Low54 Ų5478.7 Ų78.728%0.27742%0.418SS..PPolyproline II helixtrans-53.4121.4168.8-54.5175000105.2M368 E419 P423 Y425 T427M368-I421 HydrophobicContact CE-CB 4.2Å; M368-I421 HydrophobicContact CE-CD1 3.37Å; M368-I421 HydrophobicContact CE-CG1 3.47Å; M368-I421 VanDerWaalsContact CE-CG1 3.47Å; M368-I421 HydrophobicContact CE-CG2 3.75Å; M368-I421 HydrophobicContact CG-CD1 4.22Å; M368-I421 HydrophobicContact SD-CD1 3.22Å; M368-I421 WeakPolarHBondContact SD-CD1 3.48Å; M368-I421 HydrophobicContact SD-CG1 3.43Å; M368-I421 WeakPolarHBondContact SD-CG1 3.37Å; E419-I421 PolarHBondContact O-N 3.41Å; I421-P423 VanDerWaalsContact O-N 3.1Å; I421-Y425 HydrophobicContact CG2-CD2 3.82Å; I421-Y425 HydrophobicContact CG2-CG 4.19Å; I421-T427 HydrophobicContact CD1-CG2 3.76Å; I421-T427 HydrophobicContact CG2-CG2 4.24Å
422S59.5Low55.7Low45 Ų4578 Ų7832%0.31541%0.405SS..PPolyproline II helixtrans-49.4127.5173.9-172.90000107.4P420 Y424 Y425P420-S422 PolarHBondContact O-N 3Å; S422-Y424 PolarHBondContact O-N 3.23Å; S422-Y424 WeakPolarHBondContact OG-CD2 3.28Å; S422-Y425 PolarHBondContact O-N 3.5Å
423P52.6Low55.8Low124 Ų12479.5 Ų79.581%0.80541%0.408SS*.THydrogen-bonded Turntrans-57.7-13.2-175.820.3-31.6000112.7I421 Y425I421-P423 VanDerWaalsContact O-N 3.1Å; P423-Y425 VanDerWaalsContact C-N 3.32Å; P423-Y425 PolarHBondContact O-N 3.38Å
424Y58.3Low55.8Low207 Ų20778 Ų7881%0.81241%0.409SS*.THydrogen-bonded Turntrans-70.2-16171.3-57.3-61.4000115.2S422S422-Y424 PolarHBondContact O-N 3.23Å; S422-Y424 WeakPolarHBondContact OG-CD2 3.28Å
425Y70.1Confident55.9Low74 Ų7477.6 Ų77.629%0.2941%0.407SS..SBendtrans-91.1123.9178.6-65.1-62.6000111.5Y366 I421 S422 P423Y366-Y425 AromaticContact CD2-CD1 3.85Å; Y366-Y425 HydrophobicContact CD2-CD1 3.85Å; Y366-Y425 HydrophobicContact CD2-CG 4.2Å; Y366-Y425 HydrophobicContact CE1-CD1 4.4Å; Y366-Y425 HydrophobicContact CE1-CE1 4.45Å; Y366-Y425 AromaticContact CE2-CD1 3.27Å; Y366-Y425 HydrophobicContact CE2-CD1 3.27Å; Y366-Y425 AromaticContact CE2-CE1 3.95Å; Y366-Y425 HydrophobicContact CE2-CE1 3.95Å; Y366-Y425 HydrophobicContact CE2-CG 4.07Å; Y366-Y425 AromaticContact CZ-CD1 3.59Å; Y366-Y425 AromaticContact CZ-CE1 3.76Å; I421-Y425 HydrophobicContact CG2-CD2 3.82Å; I421-Y425 HydrophobicContact CG2-CG 4.19Å; S422-Y425 PolarHBondContact O-N 3.5Å; P423-Y425 VanDerWaalsContact C-N 3.32Å; P423-Y425 PolarHBondContact O-N 3.38Å
426R77.4Confident55.8Low65 Ų6580.9 Ų80.925%0.24544%0.442CS..  trans-71.7133.1169.5-62.3177.2-165.9-112.79.4110.2D363 I365 Y366 N530D363-R426 IonicContact OD1-NE 2.68Å; D363-R426 IonicContact OD2-CZ 2.97Å; D363-R426 IonicContact OD2-NE 3.76Å; D363-R426 PolarHBondContact OD2-NE 3.05Å; D363-R426 IonicContact OD2-NH2 3.99Å; D363-R426 PolarHBondContact OD2-NH2 3.42Å; I365-R426 WeakPolarHBondContact CA-O 3.33Å; Y366-R426 WeakPolarHBondContact CD2-O 2.93Å; Y366-R426 PolarHBondContact N-O 3.41Å; R426-N530 PolarHBondContact NH1-OD1 3.11Å; R426-N530 PolarHBondContact NH2-OD1 3.38Å
427T76Confident56Low37 Ų3783.8 Ų83.823%0.22745%0.453CS..BIsolated β-bridgetrans-120.5163.2174.766.80000109.8Y366 M368 I421 G429 H533Y366-T427 WeakPolarHBondContact O-CA 3.31Å; Y366-T427 WeakPolarHBondContact O-CB 3.27Å; M368-T427 HydrophobicContact CE-CG2 4.49Å; I421-T427 HydrophobicContact CD1-CG2 3.76Å; I421-T427 HydrophobicContact CG2-CG2 4.24Å; T427-G429 PolarHBondContact O-N 3.32Å; T427-G429 PolarHBondContact OG1-N 2.77Å; T427-G429 VanDerWaalsContact OG1-N 3.12Å; T427-H533 PolarHBondContact O-NE2 3.02Å
428F68.6Low57Low6 Ų684.1 Ų84.13%0.02645%0.453CS..SBendtrans-63.5-4.3166.6-72.1-78000113.1I365 Y366 E367 H438 I443 Y503 W532 R540I365-F428 HydrophobicContact CD1-CD1 3.57Å; I365-F428 HydrophobicContact CD1-CD2 4.01Å; I365-F428 HydrophobicContact CD1-CE1 3.56Å; I365-F428 HydrophobicContact CD1-CE2 4Å; I365-F428 HydrophobicContact CD1-CG 3.81Å; I365-F428 HydrophobicContact CD1-CZ 3.79Å; I365-F428 HydrophobicContact CG1-CD1 4.4Å; I365-F428 HydrophobicContact CG1-CD2 3.93Å; I365-F428 HydrophobicContact CG1-CE1 4.35Å; I365-F428 HydrophobicContact CG1-CE2 3.88Å; I365-F428 HydrophobicContact CG1-CG 4.2Å; I365-F428 HydrophobicContact CG1-CZ 4.1Å; I365-F428 HydrophobicContact CG2-CE2 3.93Å; I365-F428 HydrophobicContact CG2-CZ 3.78Å; Y366-F428 PolarHBondContact O-N 3.17Å; E367-F428 HydrophobicContact CB-CD2 3.86Å; E367-F428 HydrophobicContact CB-CE2 4.15Å; E367-F428 HydrophobicContact CG-CD2 4.45Å; F428-H438 AromaticContact CD1-CE1 3.47Å; F428-H438 VanDerWaalsContact CD1-CE1 3.47Å; F428-H438 WeakPolarHBondContact CD1-CE1 3.37Å; F428-H438 AromaticContact CD1-ND1 3.49Å; F428-H438 WeakPolarHBondContact CD1-ND1 3.34Å; F428-H438 AromaticContact CE1-CE1 3.73Å; F428-H438 AromaticContact CE1-ND1 3.23Å; F428-H438 WeakPolarHBondContact CE1-ND1 3.28Å; F428-H438 HydrophobicContact CE2-CB 4.49Å; F428-H438 HydrophobicContact CZ-CB 4.17Å; F428-H438 AromaticContact CZ-ND1 3.72Å; F428-I443 HydrophobicContact CZ-CD1 4.04Å; F428-I443 HydrophobicContact CZ-CG1 4.49Å; F428-Y503 AromaticContact CE2-CD2 3.8Å; F428-Y503 HydrophobicContact CE2-CD2 3.8Å; F428-Y503 AromaticContact CE2-CE2 3.8Å; F428-Y503 HydrophobicContact CE2-CE2 3.8Å; F428-Y503 HydrophobicContact CZ-CD2 4.25Å; F428-Y503 HydrophobicContact CZ-CE2 4.38Å; F428-W532 AromaticContact CE1-CH2 3.62Å; F428-W532 HydrophobicContact CE1-CH2 3.62Å; F428-W532 AromaticContact CE1-CZ2 3.96Å; F428-W532 HydrophobicContact CE1-CZ2 3.96Å; F428-W532 AromaticContact CZ-CH2 3.96Å; F428-W532 HydrophobicContact CZ-CH2 3.96Å; F428-R540 VanDerWaalsContact O-CZ 3.25Å; F428-R540 PolarHBondContact O-NE 3.48Å; F428-R540 PolarHBondContact O-NH2 3.11Å
429G60Low58.6Low26 Ų2681 Ų8127%0.26845%0.448SS..  trans90.1167-171.900000112.6T427 T431 R540T427-G429 PolarHBondContact O-N 3.32Å; T427-G429 PolarHBondContact OG1-N 2.77Å; T427-G429 VanDerWaalsContact OG1-N 3.12Å; G429-T431 PolarHBondContact O-N 2.68Å; G429-R540 VanDerWaalsContact CA-CZ 3.46Å; G429-R540 PolarHBondContact O-NH2 3.22Å
430V51.8Low60.4Low103 Ų10379.5 Ų79.562%0.62444%0.44SS*.SBendtrans-64.7123.7-179.3-170.20000108.8R540V430-R540 PolarHBondContact O-NH1 3.1Å; V430-R540 PolarHBondContact O-NH2 2.88Å
431T48.6Very low62.3Low100 Ų10079.6 Ų79.661%0.61343%0.431SS*.  trans60.185.5-177.965.20000116.7G429G429-T431 PolarHBondContact O-N 2.68Å
432S43.2Very low64.1Low33 Ų3379.6 Ų79.623%0.23144%0.436CS..  trans-92.4103.2149.274.30000108.5N434 H438S432-N434 PolarHBondContact O-N 3.49Å; S432-N434 VanDerWaalsContact O-N 3.12Å; S432-H438 VanDerWaalsContact CB-NE2 3.27Å; S432-H438 WeakPolarHBondContact CB-NE2 3.29Å; S432-H438 PolarHBondContact OG-CD2 3.45Å; S432-H438 PolarHBondContact OG-NE2 3.06Å
433N45.7Very low65.6Low129 Ų12977.6 Ų77.669%0.6942%0.421SS*.  trans-72.810.4170.6-85.5-16000112.5
434N49.5Very low67.5Low90 Ų9073 Ų7348%0.48139%0.39SS..  trans-105.569.5-175-77.2-27.3000111.7S432 G436 K437 H438S432-N434 PolarHBondContact O-N 3.49Å; S432-N434 VanDerWaalsContact O-N 3.12Å; N434-G436 PolarHBondContact O-N 3.44Å; N434-K437 HydrophobicContact CB-CB 4.25Å; N434-K437 HydrophobicContact CB-CD 4.33Å; N434-K437 HydrophobicContact CB-CG 4.24Å; N434-K437 PolarHBondContact O-N 3.35Å; N434-H438 PolarHBondContact O-CD2 2.87Å
435K51Low69.2Low142 Ų14265.3 Ų65.362%0.61736%0.364SS*.THydrogen-bonded Turntrans-51.6-24.9175.5-74.6-178.3176.3176.60114
436G50Low70.3Confident77 Ų7762.3 Ų62.379%0.79436%0.356SS*.THydrogen-bonded Turntrans-85.8-14-179.400000116.1N434N434-G436 PolarHBondContact O-N 3.44Å
437K56Low71.1Confident112 Ų11259.2 Ų59.249%0.48734%0.344SS..THydrogen-bonded Turntrans-89.9-12.1-175.8-77.2-168.2176.3-174.60114.2N434 S442N434-K437 HydrophobicContact CB-CB 4.25Å; N434-K437 HydrophobicContact CB-CD 4.33Å; N434-K437 HydrophobicContact CB-CG 4.24Å; N434-K437 PolarHBondContact O-N 3.35Å; K437-S442 WeakPolarHBondContact O-CB 3.22Å; K437-S442 PolarHBondContact O-OG 2.88Å
438H72.5Confident72Confident18 Ų1860 Ų608%0.08335%0.345CS..  trans-109.842.8-169.2-52.7-54.7000113.7F428 S432 N434 Y503F428-H438 AromaticContact CD1-CE1 3.47Å; F428-H438 VanDerWaalsContact CD1-CE1 3.47Å; F428-H438 WeakPolarHBondContact CD1-CE1 3.37Å; F428-H438 AromaticContact CD1-ND1 3.49Å; F428-H438 WeakPolarHBondContact CD1-ND1 3.34Å; F428-H438 AromaticContact CE1-CE1 3.73Å; F428-H438 AromaticContact CE1-ND1 3.23Å; F428-H438 WeakPolarHBondContact CE1-ND1 3.28Å; F428-H438 HydrophobicContact CE2-CB 4.49Å; F428-H438 HydrophobicContact CZ-CB 4.17Å; F428-H438 AromaticContact CZ-ND1 3.72Å; S432-H438 VanDerWaalsContact CB-NE2 3.27Å; S432-H438 WeakPolarHBondContact CB-NE2 3.29Å; S432-H438 PolarHBondContact OG-CD2 3.45Å; S432-H438 PolarHBondContact OG-NE2 3.06Å; N434-H438 PolarHBondContact O-CD2 2.87Å; H438-Y503 PolarHBondContact O-OH 2.93Å
439S84.4Confident73.2Confident47 Ų4769.4 Ų69.433%0.32938%0.38SS..  trans-77.6157171.790.50000111.4E441 S442 I443S439-E441 VanDerWaalsContact CB-OE2 3.24Å; S439-E441 WeakPolarHBondContact CB-OE2 2.82Å; S439-E441 PolarHBondContact O-N 2.74Å; S439-E441 PolarHBondContact OG-N 2.97Å; S439-E441 PolarHBondContact OG-OE2 3.08Å; S439-S442 PolarHBondContact O-N 3.08Å; S439-S442 PolarHBondContact OG-N 3.13Å; S439-S442 VanDerWaalsContact OG-N 3.09Å; S439-I443 WeakPolarHBondContact O-CG1 3.11Å; S439-I443 PolarHBondContact O-N 2.9Å
440K90.1Very high74.8Confident74 Ų7471.2 Ų71.232%0.32238%0.379SS..Hα-helixtrans-54-40.5174.4-67.7179.1-69.8174.20111.3I443 L444 V465 E467 Y503K440-I443 PolarHBondContact O-N 3.31Å; K440-L444 VanDerWaalsContact O-CB 3.23Å; K440-L444 WeakPolarHBondContact O-CB 3.39Å; K440-L444 PolarHBondContact O-N 2.97Å; K440-V465 HydrophobicContact CB-CB 4.22Å; K440-V465 HydrophobicContact CB-CG1 4.17Å; K440-V465 WeakPolarHBondContact CD-O 3.5Å; K440-V465 HydrophobicContact CG-CG1 4.09Å; K440-E467 HydrophobicContact CD-CB 3.88Å; K440-E467 HydrophobicContact CG-CB 4.02Å; K440-Y503 HydrophobicContact CG-CD1 4.37Å
441E90.3Very high76.8Confident109 Ų10967.4 Ų67.451%0.50936%0.355SS..Hα-helixtrans-69-40.3-178.7-5669.2-146.200111.4S439 T445S439-E441 VanDerWaalsContact CB-OE2 3.24Å; S439-E441 WeakPolarHBondContact CB-OE2 2.82Å; S439-E441 PolarHBondContact O-N 2.74Å; S439-E441 PolarHBondContact OG-N 2.97Å; S439-E441 PolarHBondContact OG-OE2 3.08Å; E441-T445 VanDerWaalsContact O-CB 3.24Å; E441-T445 WeakPolarHBondContact O-CB 3.33Å; E441-T445 PolarHBondContact O-N 3.47Å; E441-T445 PolarHBondContact O-OG1 2.97Å
442S90.1Very high78.9Confident54 Ų5464.5 Ų64.538%0.37834%0.337SS..Hα-helixtrans-63.5-46.8174.9178.30000111.5K437 S439 G446K437-S442 WeakPolarHBondContact O-CB 3.22Å; K437-S442 PolarHBondContact O-OG 2.88Å; S439-S442 PolarHBondContact O-N 3.08Å; S439-S442 PolarHBondContact OG-N 3.13Å; S439-S442 VanDerWaalsContact OG-N 3.09Å; S442-G446 PolarHBondContact O-N 3.29Å
443I91.2Very high81Confident2 Ų271.6 Ų71.61%0.0137%0.367CS..Hα-helixtrans-60.5-50.5176.5-63.5168.1000110.1F428 S439 K440 T445 G446 I447 V465 Y503 W532F428-I443 HydrophobicContact CZ-CD1 4.04Å; F428-I443 HydrophobicContact CZ-CG1 4.49Å; S439-I443 WeakPolarHBondContact O-CG1 3.11Å; S439-I443 PolarHBondContact O-N 2.9Å; K440-I443 PolarHBondContact O-N 3.31Å; I443-T445 PolarHBondContact O-N 2.74Å; I443-G446 PolarHBondContact O-N 3.34Å; I443-I447 HydrophobicContact CG2-CD1 3.68Å; I443-I447 VanDerWaalsContact O-CG1 3.3Å; I443-I447 WeakPolarHBondContact O-CG1 3.38Å; I443-I447 PolarHBondContact O-N 3.18Å; I443-V465 HydrophobicContact CB-CG2 4.42Å; I443-V465 HydrophobicContact CG2-CG1 4.48Å; I443-V465 HydrophobicContact CG2-CG2 3.98Å; I443-Y503 HydrophobicContact CD1-CD1 3.47Å; I443-Y503 VanDerWaalsContact CD1-CD1 3.47Å; I443-Y503 HydrophobicContact CD1-CD2 4.04Å; I443-Y503 HydrophobicContact CD1-CE1 4.03Å; I443-Y503 HydrophobicContact CD1-CG 3.47Å; I443-Y503 VanDerWaalsContact CD1-CG 3.47Å; I443-W532 HydrophobicContact CB-CH2 4.29Å; I443-W532 HydrophobicContact CB-CZ2 4.08Å; I443-W532 HydrophobicContact CD1-CH2 4.41Å; I443-W532 HydrophobicContact CG1-CH2 3.84Å; I443-W532 HydrophobicContact CG1-CZ2 3.68Å; I443-W532 HydrophobicContact CG2-CH2 3.75Å; I443-W532 HydrophobicContact CG2-CZ2 3.93Å; I443-W532 HydrophobicContact CG2-CZ3 4.17Å
444L93.6Very high83Confident28 Ų2870.1 Ų70.115%0.14736%0.359CS..Hα-helixtrans-57.6-51.3179.9-173.864000111.6K440 G446 I447 F448 I460 L463 V465 L505K440-L444 VanDerWaalsContact O-CB 3.23Å; K440-L444 WeakPolarHBondContact O-CB 3.39Å; K440-L444 PolarHBondContact O-N 2.97Å; L444-G446 PolarHBondContact O-N 2.93Å; L444-I447 PolarHBondContact O-N 3.47Å; L444-F448 VanDerWaalsContact O-CB 3.3Å; L444-F448 WeakPolarHBondContact O-CB 3.29Å; L444-F448 PolarHBondContact O-N 3.15Å; L444-I460 HydrophobicContact CD1-CG1 4.49Å; L444-I460 HydrophobicContact CD2-CD1 4.37Å; L444-I460 HydrophobicContact CD2-CG1 4.01Å; L444-I460 HydrophobicContact CG-CD1 4.11Å; L444-I460 HydrophobicContact CG-CG1 3.85Å; L444-L463 HydrophobicContact CD1-CB 3.3Å; L444-L463 HydrophobicContact CD1-CD1 4.19Å; L444-L463 HydrophobicContact CD1-CG 4.39Å; L444-V465 HydrophobicContact CB-CG2 4.08Å; L444-V465 HydrophobicContact CD1-CG2 4.16Å; L444-L505 HydrophobicContact CD1-CD1 4.3Å
445T93.7Very high84.8Confident45 Ų4565.9 Ų65.928%0.27634%0.337SS..Hα-helixtrans-63.1-41.9179.3-57.40000111.6E441 I443 F448 R449E441-T445 VanDerWaalsContact O-CB 3.24Å; E441-T445 WeakPolarHBondContact O-CB 3.33Å; E441-T445 PolarHBondContact O-N 3.47Å; E441-T445 PolarHBondContact O-OG1 2.97Å; I443-T445 PolarHBondContact O-N 2.74Å; T445-F448 PolarHBondContact O-N 3.47Å; T445-R449 VanDerWaalsContact O-CG 3.31Å; T445-R449 WeakPolarHBondContact O-CG 3.41Å; T445-R449 PolarHBondContact O-N 2.83Å; T445-R449 VanDerWaalsContact O-N 3.09Å
446G92.8Very high86.4Confident11 Ų1161.8 Ų61.811%0.11334%0.335CS..Hα-helixtrans-60.9-44.9178.500000112.3S442 I443 L444 R450S442-G446 PolarHBondContact O-N 3.29Å; I443-G446 PolarHBondContact O-N 3.34Å; L444-G446 PolarHBondContact O-N 2.93Å; G446-R450 PolarHBondContact O-NH1 3.02Å
447I93.6Very high88.2Confident0 Ų058.3 Ų58.30%030%0.298CS..Hα-helixtrans-70.9-45.1179-64.6166.7000110.6I443 L444 R449 R450 L451 L505 A528 F529 W532I443-I447 HydrophobicContact CG2-CD1 3.68Å; I443-I447 VanDerWaalsContact O-CG1 3.3Å; I443-I447 WeakPolarHBondContact O-CG1 3.38Å; I443-I447 PolarHBondContact O-N 3.18Å; L444-I447 PolarHBondContact O-N 3.47Å; I447-R449 VanDerWaalsContact C-N 3.32Å; I447-R449 PolarHBondContact O-N 2.96Å; I447-R450 PolarHBondContact O-N 3.45Å; I447-L451 PolarHBondContact O-N 3.14Å; I447-L505 HydrophobicContact CD1-CD2 4.06Å; I447-L505 HydrophobicContact CG2-CD2 4.01Å; I447-A528 HydrophobicContact CG2-CB 4.13Å; I447-F529 HydrophobicContact CD1-CD2 3.59Å; I447-F529 HydrophobicContact CD1-CE2 4.06Å; I447-F529 HydrophobicContact CD1-CG 4.39Å; I447-W532 HydrophobicContact CD1-CD2 4.18Å; I447-W532 HydrophobicContact CD1-CE3 3.95Å; I447-W532 HydrophobicContact CD1-CZ3 4.42Å; I447-W532 HydrophobicContact CG1-CB 3.83Å; I447-W532 HydrophobicContact CG1-CD2 3.75Å; I447-W532 HydrophobicContact CG1-CE3 3.96Å; I447-W532 HydrophobicContact CG1-CG 3.67Å
448F94.9Very high89.6Confident55 Ų5559.6 Ų59.624%0.24131%0.306CS..Hα-helixtrans-58-42.8-179-174.8-101.6000112.3L444 T445 R450 L451 I457 I460 L463L444-F448 VanDerWaalsContact O-CB 3.3Å; L444-F448 WeakPolarHBondContact O-CB 3.29Å; L444-F448 PolarHBondContact O-N 3.15Å; T445-F448 PolarHBondContact O-N 3.47Å; F448-R450 PolarHBondContact O-N 3.21Å; F448-R450 VanDerWaalsContact O-N 3.11Å; F448-L451 HydrophobicContact CD2-CD1 3.85Å; F448-L451 HydrophobicContact CE2-CD1 4.34Å; F448-L451 WeakPolarHBondContact O-CB 3.12Å; F448-L451 PolarHBondContact O-N 3.49Å; F448-L451 VanDerWaalsContact O-N 3.07Å; F448-I457 HydrophobicContact CE2-CG2 4.37Å; F448-I460 HydrophobicContact CB-CD1 3.99Å; F448-I460 HydrophobicContact CB-CG1 4.04Å; F448-I460 HydrophobicContact CD1-CB 4.12Å; F448-I460 HydrophobicContact CD1-CD1 4.15Å; F448-I460 HydrophobicContact CD1-CG1 4.26Å; F448-I460 HydrophobicContact CD2-CB 3.96Å; F448-I460 HydrophobicContact CD2-CG1 4.09Å; F448-I460 HydrophobicContact CE1-CB 4.19Å; F448-I460 HydrophobicContact CE2-CB 4.04Å; F448-I460 HydrophobicContact CG-CB 4Å; F448-I460 HydrophobicContact CG-CD1 4.06Å; F448-I460 HydrophobicContact CG-CG1 3.87Å; F448-I460 HydrophobicContact CZ-CB 4.15Å; F448-L463 HydrophobicContact CB-CD1 4.45Å; F448-L463 HydrophobicContact CD2-CD1 3.99Å
449R94.3Very high90.4Very high202 Ų20262.6 Ų62.676%0.76232%0.322SS*.THydrogen-bonded Turntrans-61.1-20.2176.8-74.4177-174.51684.4114.6T445 I447T445-R449 VanDerWaalsContact O-CG 3.31Å; T445-R449 WeakPolarHBondContact O-CG 3.41Å; T445-R449 PolarHBondContact O-N 2.83Å; T445-R449 VanDerWaalsContact O-N 3.09Å; I447-R449 VanDerWaalsContact C-N 3.32Å; I447-R449 PolarHBondContact O-N 2.96Å
450R94.5Very high90.9Very high64 Ų6462.6 Ų62.624%0.24232%0.318CS..THydrogen-bonded Turntrans-94.7-6.2-179.9-70.4166.6176.875.3-0.5112.5G446 I447 F448 A528 R531 D535G446-R450 PolarHBondContact O-NH1 3.02Å; I447-R450 PolarHBondContact O-N 3.45Å; F448-R450 PolarHBondContact O-N 3.21Å; F448-R450 VanDerWaalsContact O-N 3.11Å; R450-A528 HydrophobicContact CB-CB 4.02Å; R450-R531 PolarHBondContact O-NH1 3.36Å; R450-R531 PolarHBondContact O-NH2 2.9Å; R450-D535 IonicContact CZ-OD2 3.08Å; R450-D535 IonicContact NE-OD2 3.45Å; R450-D535 PolarHBondContact NE-OD2 3.47Å; R450-D535 IonicContact NH2-OD2 3.47Å; R450-D535 PolarHBondContact NH2-OD2 3.12Å
451L93.5Very high90.9Very high23 Ų2364.6 Ų64.612%0.1233%0.332CS..SBendtrans-66.4136.3176.1-75.7170.4000110.8I447 F448 I457 L463 C524 L525 A528I447-L451 PolarHBondContact O-N 3.14Å; F448-L451 HydrophobicContact CD2-CD1 3.85Å; F448-L451 HydrophobicContact CE2-CD1 4.34Å; F448-L451 WeakPolarHBondContact O-CB 3.12Å; F448-L451 PolarHBondContact O-N 3.49Å; F448-L451 VanDerWaalsContact O-N 3.07Å; L451-I457 HydrophobicContact CD1-CB 4.27Å; L451-I457 HydrophobicContact CD1-CG2 4.13Å; L451-L463 HydrophobicContact CD1-CD1 4.24Å; L451-C524 HydrophobicContact CD2-CB 4.22Å; L451-L525 HydrophobicContact CD1-CD2 4.02Å; L451-L525 HydrophobicContact CD2-CD2 3.82Å; L451-L525 HydrophobicContact CD2-CG 4.07Å; L451-L525 HydrophobicContact CG-CD2 4.38Å; L451-A528 HydrophobicContact CD2-CB 3.85Å; L451-A528 HydrophobicContact CG-CB 4.15Å
452P92.1Very high91Very high39 Ų3960.1 Ų60.125%0.25331%0.312SS..  trans-71.1152.5171.934.2-36.6000110.2D454 S455 C524P452-D454 VanDerWaalsContact CB-OD1 3.27Å; P452-D454 WeakPolarHBondContact CB-OD1 3.47Å; P452-D454 WeakPolarHBondContact CG-OD1 3.42Å; P452-D454 PolarHBondContact O-N 3.36Å; P452-S455 WeakPolarHBondContact O-CB 3.3Å; P452-S455 PolarHBondContact O-N 2.6Å; P452-S455 PolarHBondContact O-OG 3.09Å; P452-C524 HydrophobicContact CG-CB 4.06Å
453Q86.9Confident91.2Very high182 Ų18257.8 Ų57.885%0.8530%0.295SS*.G310 helixtrans-59.9-29.5-177.8-70.3-177.4-13.800112.9S455 Q458Q453-S455 VanDerWaalsContact C-N 3.29Å; Q453-S455 PolarHBondContact O-N 3.26Å; Q453-Q458 PolarHBondContact O-NE2 2.72Å
454D87.4Confident91.4Very high98 Ų9858.9 Ų58.952%0.52430%0.301SS..G310 helixtrans-86.79.7178.874.2-35000113.5P452 G456 R520P452-D454 VanDerWaalsContact CB-OD1 3.27Å; P452-D454 WeakPolarHBondContact CB-OD1 3.47Å; P452-D454 WeakPolarHBondContact CG-OD1 3.42Å; P452-D454 PolarHBondContact O-N 3.36Å; D454-G456 PolarHBondContact O-N 3.21Å; D454-R520 IonicContact OD1-NH2 3.6Å; D454-R520 PolarHBondContact OD1-NH2 3.45Å; D454-R520 IonicContact OD2-CZ 3.12Å; D454-R520 IonicContact OD2-NE 2.68Å; D454-R520 IonicContact OD2-NH2 3.58Å; D454-R520 PolarHBondContact OD2-NH2 2.87Å
455S88.2Confident91.5Very high2 Ų258 Ų581%0.01430%0.296CS..G310 helixtrans-64.1-20.5-178.963.50000114.2P452 Q453 I457 P521P452-S455 WeakPolarHBondContact O-CB 3.3Å; P452-S455 PolarHBondContact O-N 2.6Å; P452-S455 PolarHBondContact O-OG 3.09Å; Q453-S455 VanDerWaalsContact C-N 3.29Å; Q453-S455 PolarHBondContact O-N 3.26Å; S455-I457 PolarHBondContact O-N 3.03Å; S455-I457 PolarHBondContact OG-N 2.94Å; S455-I457 PolarHBondContact OG-O 2.87Å; S455-P521 WeakPolarHBondContact O-CA 3.45Å; S455-P521 WeakPolarHBondContact O-CG 3.2Å
456G84.5Confident91.5Very high56 Ų5656.3 Ų56.358%0.57729%0.287SS*.SBendtrans80-3.4-171.700000114.3D454D454-G456 PolarHBondContact O-N 3.21Å
457I87.8Confident91.5Very high4 Ų459.5 Ų59.52%0.02130%0.298CS..  trans-108108176.1-62.2157.8000107.5F448 L451 S455 L463 P521 L525F448-I457 HydrophobicContact CE2-CG2 4.37Å; L451-I457 HydrophobicContact CD1-CB 4.27Å; L451-I457 HydrophobicContact CD1-CG2 4.13Å; S455-I457 PolarHBondContact O-N 3.03Å; S455-I457 PolarHBondContact OG-N 2.94Å; S455-I457 PolarHBondContact OG-O 2.87Å; I457-L463 HydrophobicContact CD1-CD2 4.46Å; I457-L463 HydrophobicContact CG2-CD2 4.31Å; I457-L463 HydrophobicContact CG2-CG 4.33Å; I457-P521 HydrophobicContact CD1-CB 3.91Å; I457-P521 HydrophobicContact CG1-CB 4.23Å; I457-L525 HydrophobicContact CD1-CD1 3.27Å; I457-L525 HydrophobicContact CD1-CD2 3.94Å; I457-L525 HydrophobicContact CD1-CG 3.44Å; I457-L525 VanDerWaalsContact CD1-CG 3.44Å
458Q85.4Confident91.2Very high139 Ų13960.2 Ų60.265%0.6530%0.303SS*.  trans-108.9-12.6-175.6-58.2-59.9-30.700112.8Q453Q453-Q458 PolarHBondContact O-NE2 2.72Å
459D90.2Very high90.8Very high80 Ų8063.3 Ų63.343%0.42831%0.314SS..  trans-118.5127.5-176.8-167.3-13.3000109.6D461 D462D459-D461 PolarHBondContact O-N 2.69Å; D459-D461 WeakPolarHBondContact OD1-CB 3.42Å; D459-D461 PolarHBondContact OD1-N 2.99Å; D459-D462 WeakPolarHBondContact O-CB 3.47Å; D459-D462 PolarHBondContact O-N 3.46Å
460I93.2Very high90.3Very high47 Ų4754 Ų5424%0.24128%0.279CS..G310 helixtrans-65.5-27.9176.8-166.5168.2000111.2L444 F448 D462 L463L444-I460 HydrophobicContact CD1-CG1 4.49Å; L444-I460 HydrophobicContact CD2-CD1 4.37Å; L444-I460 HydrophobicContact CD2-CG1 4.01Å; L444-I460 HydrophobicContact CG-CD1 4.11Å; L444-I460 HydrophobicContact CG-CG1 3.85Å; F448-I460 HydrophobicContact CB-CD1 3.99Å; F448-I460 HydrophobicContact CB-CG1 4.04Å; F448-I460 HydrophobicContact CD1-CB 4.12Å; F448-I460 HydrophobicContact CD1-CD1 4.15Å; F448-I460 HydrophobicContact CD1-CG1 4.26Å; F448-I460 HydrophobicContact CD2-CB 3.96Å; F448-I460 HydrophobicContact CD2-CG1 4.09Å; F448-I460 HydrophobicContact CE1-CB 4.19Å; F448-I460 HydrophobicContact CE2-CB 4.04Å; F448-I460 HydrophobicContact CG-CB 4Å; F448-I460 HydrophobicContact CG-CD1 4.06Å; F448-I460 HydrophobicContact CG-CG1 3.87Å; F448-I460 HydrophobicContact CZ-CB 4.15Å; I460-D462 PolarHBondContact O-N 3.08Å; I460-L463 WeakPolarHBondContact O-CB 3.27Å; I460-L463 PolarHBondContact O-N 2.8Å
461D91.3Very high89.7Confident117 Ų11751.7 Ų51.763%0.62627%0.272SS*.G310 helixtrans-71-14.6178.2-69.3-22.4000112.3D459 L463 R508D459-D461 PolarHBondContact O-N 2.69Å; D459-D461 WeakPolarHBondContact OD1-CB 3.42Å; D459-D461 PolarHBondContact OD1-N 2.99Å; D461-L463 PolarHBondContact O-N 3.39Å; D461-R508 VanDerWaalsContact O-CD 3.24Å; D461-R508 WeakPolarHBondContact O-CD 3.3Å; D461-R508 PolarHBondContact O-NE 2.84Å
462D91.7Very high89Confident15 Ų1551.1 Ų51.18%0.0827%0.27CS..G310 helixtrans-75.7-6.4170.2-156.425.9000112.2D459 I460 W507 R508 R509 S510D459-D462 WeakPolarHBondContact O-CB 3.47Å; D459-D462 PolarHBondContact O-N 3.46Å; I460-D462 PolarHBondContact O-N 3.08Å; D462-W507 PolarHBondContact OD2-NE1 2.72Å; D462-R508 WeakPolarHBondContact O-CB 3.38Å; D462-R508 PolarHBondContact O-N 2.9Å; D462-R509 PolarHBondContact OD1-N 2.9Å; D462-R509 VanDerWaalsContact OD1-N 3.07Å; D462-S510 WeakPolarHBondContact OD1-CB 3.28Å; D462-S510 PolarHBondContact OD1-N 3.19Å; D462-S510 PolarHBondContact OD1-OG 3.09Å
463L94.8Very high88.6Confident4 Ų449.3 Ų49.32%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-107.1150.9174.5-58.2-177.4000110.9L444 F448 L451 I457 I460 D461 L505 Y506 W507 L525L444-L463 HydrophobicContact CD1-CB 3.3Å; L444-L463 HydrophobicContact CD1-CD1 4.19Å; L444-L463 HydrophobicContact CD1-CG 4.39Å; F448-L463 HydrophobicContact CB-CD1 4.45Å; F448-L463 HydrophobicContact CD2-CD1 3.99Å; L451-L463 HydrophobicContact CD1-CD1 4.24Å; I457-L463 HydrophobicContact CD1-CD2 4.46Å; I457-L463 HydrophobicContact CG2-CD2 4.31Å; I457-L463 HydrophobicContact CG2-CG 4.33Å; I460-L463 WeakPolarHBondContact O-CB 3.27Å; I460-L463 PolarHBondContact O-N 2.8Å; D461-L463 PolarHBondContact O-N 3.39Å; L463-L505 HydrophobicContact CB-CD1 4.34Å; L463-Y506 WeakPolarHBondContact CA-O 3.31Å; L463-W507 HydrophobicContact CD2-CB 4.34Å; L463-L525 HydrophobicContact CD1-CD2 3.9Å; L463-L525 HydrophobicContact CD2-CD1 3.97Å; L463-L525 HydrophobicContact CD2-CD2 3.56Å; L463-L525 HydrophobicContact CD2-CG 4.41Å; L463-L525 HydrophobicContact CG-CD2 4.4Å
464L95.2Very high88.4Confident25 Ų2543.2 Ų43.213%0.13124%0.235CC..EExtended strand (participates in β ladder)trans-139.3126.117817266000109.8A279 Y359 T466 L505 Y506 R508A279-L464 HydrophobicContact CB-CD2 3.51Å; Y359-L464 HydrophobicContact CD2-CD2 4.11Å; Y359-L464 HydrophobicContact CE2-CD2 4.15Å; L464-T466 HydrophobicContact CD2-CG2 3.85Å; L464-T466 HydrophobicContact CG-CG2 4Å; L464-L505 CarbonylContact O-C 3.55Å; L464-L505 WeakPolarHBondContact O-CA 3.43Å; L464-Y506 PolarHBondContact N-O 2.79Å; L464-Y506 PolarHBondContact O-N 2.94Å; L464-R508 HydrophobicContact CB-CG 4.35Å
465V95.7Very high88.3Confident9 Ų939.1 Ų39.16%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-101.5117.2163.8178.60000108.4K440 I443 L444 Y503 R504 L505K440-V465 HydrophobicContact CB-CB 4.22Å; K440-V465 HydrophobicContact CB-CG1 4.17Å; K440-V465 WeakPolarHBondContact CD-O 3.5Å; K440-V465 HydrophobicContact CG-CG1 4.09Å; I443-V465 HydrophobicContact CB-CG2 4.42Å; I443-V465 HydrophobicContact CG2-CG1 4.48Å; I443-V465 HydrophobicContact CG2-CG2 3.98Å; L444-V465 HydrophobicContact CB-CG2 4.08Å; L444-V465 HydrophobicContact CD1-CG2 4.16Å; V465-Y503 HydrophobicContact CG1-CD1 4.3Å; V465-R504 WeakPolarHBondContact CA-O 3.35Å; V465-L505 HydrophobicContact CG2-CD1 3.96Å
466T94.2Very high87.7Confident11 Ų1146 Ų467%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-92.9140.4168.168.10000109.3T275 A279 L464 Y503 R504 Y506T275-T466 HydrophobicContact CG2-CG2 3.97Å; T275-T466 VanDerWaalsContact CG2-OG1 3.3Å; T275-T466 WeakPolarHBondContact CG2-OG1 3.23Å; A279-T466 HydrophobicContact CB-CG2 4.29Å; L464-T466 HydrophobicContact CD2-CG2 3.85Å; L464-T466 HydrophobicContact CG-CG2 4Å; T466-Y503 WeakPolarHBondContact O-CA 3.25Å; T466-R504 PolarHBondContact N-O 3.4Å; T466-R504 PolarHBondContact O-N 3.08Å; T466-Y506 HydrophobicContact CG2-CD2 3.97Å; T466-Y506 HydrophobicContact CG2-CE2 3.77Å; T466-Y506 WeakPolarHBondContact OG1-CE2 3.37Å
467E91.7Very high87.5Confident78 Ų7850.7 Ų50.736%0.36425%0.254SS..EExtended strand (participates in β ladder)trans-106.8126.5169.4-178.9-174.6178.500108.5K440 R501 A502 Y503K440-E467 HydrophobicContact CD-CB 3.88Å; K440-E467 HydrophobicContact CG-CB 4.02Å; E467-R501 IonicContact OE1-NE 3.62Å; E467-A502 WeakPolarHBondContact CA-O 3.22Å; E467-Y503 HydrophobicContact CB-CD1 4.12Å; E467-Y503 HydrophobicContact CB-CE1 4.16Å; E467-Y503 HydrophobicContact CG-CD1 4.13Å; E467-Y503 HydrophobicContact CG-CE1 3.79Å
468S87.8Confident87.3Confident15 Ų1551.7 Ų51.711%0.10526%0.262CS..EExtended strand (participates in β ladder)trans-118.8134.816777.60000109.9Q270 R501 A502 R504Q270-S468 PolarHBondContact OE1-OG 3.03Å; S468-R501 CarbonylContact O-C 3.59Å; S468-R501 WeakPolarHBondContact O-CA 3.34Å; S468-A502 PolarHBondContact N-O 3.16Å; S468-A502 PolarHBondContact O-N 3.08Å; S468-R504 PolarHBondContact OG-NH1 2.83Å
469R86.2Confident87.4Confident120 Ų12045.1 Ų45.145%0.45323%0.231SC..EExtended strand (participates in β ladder)trans-108.1132.3174.4-177.1-179171.5-149-3.3108.8Q270 V499 I500 R501Q270-R469 PolarHBondContact NE2-O 2.98Å; R469-V499 HydrophobicContact CG-CG1 3.84Å; R469-I500 WeakPolarHBondContact CA-O 3.24Å; R469-R501 HydrophobicContact CG-CG 4.41Å
470F84.4Confident87.3Confident7 Ų742.9 Ų42.93%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-141.2148170.757.9-75.4000109.2H265 Q266 I500 A502H265-F470 HydrophobicContact CB-CB 3.94Å; H265-F470 HydrophobicContact CB-CD2 4.36Å; H265-F470 HydrophobicContact CB-CG 4.39Å; Q266-F470 HydrophobicContact CG-CD2 4.06Å; Q266-F470 HydrophobicContact CG-CE2 3.34Å; Q266-F470 HydrophobicContact CG-CZ 3.83Å; F470-I500 HydrophobicContact CD1-CB 4.07Å; F470-I500 HydrophobicContact CD1-CG2 4.27Å; F470-I500 WeakPolarHBondContact CD1-O 3.47Å; F470-I500 HydrophobicContact CD2-CB 4.07Å; F470-I500 HydrophobicContact CD2-CD1 4.08Å; F470-I500 HydrophobicContact CE1-CB 3.69Å; F470-I500 HydrophobicContact CE1-CG2 3.45Å; F470-I500 VanDerWaalsContact CE1-CG2 3.45Å; F470-I500 HydrophobicContact CE2-CB 3.64Å; F470-I500 HydrophobicContact CE2-CD1 3.27Å; F470-I500 HydrophobicContact CE2-CG1 3.99Å; F470-I500 HydrophobicContact CE2-CG2 3.98Å; F470-I500 HydrophobicContact CG-CB 4.3Å; F470-I500 HydrophobicContact CZ-CB 3.47Å; F470-I500 VanDerWaalsContact CZ-CB 3.47Å; F470-I500 HydrophobicContact CZ-CD1 3.69Å; F470-I500 HydrophobicContact CZ-CG1 4.17Å; F470-I500 HydrophobicContact CZ-CG2 3.29Å; F470-I500 PolarHBondContact N-O 3.3Å; F470-I500 PolarHBondContact O-N 3.29Å; F470-I500 VanDerWaalsContact O-O 3.11Å; F470-A502 HydrophobicContact CE1-CB 4.2Å
471S81.4Confident87.3Confident14 Ų1440.6 Ų40.610%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-129.6159-174.244.20000110.3R261 N473 R498R261-S471 PolarHBondContact NH1-O 3.09Å; S471-N473 WeakPolarHBondContact CB-O 3.46Å; S471-N473 PolarHBondContact O-N 3.17Å; S471-N473 PolarHBondContact OG-O 3.01Å; S471-R498 CarbonylContact C-O 3.6Å; S471-R498 WeakPolarHBondContact CA-O 3.43Å
472S78.1Confident87.4Confident12 Ų1235.3 Ų35.38%0.08418%0.177CC..SBendtrans-62-29.6173.8530000111.9F258 R498F258-S472 WeakPolarHBondContact CD1-O 3.34Å; S472-R498 PolarHBondContact N-O 2.76Å; S472-R498 PolarHBondContact OG-N 2.88Å; S472-R498 VanDerWaalsContact OG-N 3.08Å
473N83.7Confident87.5Confident1 Ų134.6 Ų34.61%0.00517%0.173CC..SBendtrans-132154.5177.9-166-56.2000111.1N188 F258 R261 S471 T475 P479 L497N188-N473 PolarHBondContact O-ND2 3.27Å; N188-N473 PolarHBondContact O-OD1 2.93Å; F258-N473 HydrophobicContact CD1-CB 4.19Å; F258-N473 HydrophobicContact CE1-CB 4.14Å; F258-N473 WeakPolarHBondContact CE1-ND2 3.4Å; F258-N473 WeakPolarHBondContact CZ-ND2 3.28Å; R261-N473 VanDerWaalsContact NH1-C 3.32Å; S471-N473 WeakPolarHBondContact CB-O 3.46Å; S471-N473 PolarHBondContact O-N 3.17Å; S471-N473 PolarHBondContact OG-O 3.01Å; N473-T475 PolarHBondContact O-N 2.71Å; N473-T475 WeakPolarHBondContact OD1-CG2 3.38Å; N473-T475 PolarHBondContact OD1-N 3.27Å; N473-T475 PolarHBondContact OD1-OG1 2.91Å; N473-P479 HydrophobicContact CB-CB 4.41Å; N473-P479 HydrophobicContact CB-CG 3.95Å; N473-P479 VanDerWaalsContact ND2-CB 3.29Å; N473-P479 WeakPolarHBondContact ND2-CB 3.39Å; N473-P479 WeakPolarHBondContact ND2-CG 3.38Å; N473-L497 HydrophobicContact CB-CD1 3.77Å
474S83.3Confident87.5Confident53 Ų5334.8 Ų34.837%0.37117%0.173SC..SBendtrans-70.4-15.5175.149.10000114.1G189 K194G189-S474 WeakPolarHBondContact CA-OG 3.49Å; K194-S474 WeakPolarHBondContact CE-OG 3.46Å
475T84.5Confident87.3Confident12 Ų1234.1 Ų34.17%0.07417%0.17CC..SBendtrans-66.1151.717855.30000113.4S186 N473 K477 P479S186-T475 WeakPolarHBondContact O-CG2 3.24Å; N473-T475 PolarHBondContact O-N 2.71Å; N473-T475 WeakPolarHBondContact OD1-CG2 3.38Å; N473-T475 PolarHBondContact OD1-N 3.27Å; N473-T475 PolarHBondContact OD1-OG1 2.91Å; T475-K477 VanDerWaalsContact C-N 3.31Å; T475-K477 WeakPolarHBondContact CB-O 3.48Å; T475-K477 PolarHBondContact OG1-O 2.78Å; T475-P479 HydrophobicContact CG2-CB 4.41Å
476L76.5Confident87Confident147 Ų14744.2 Ų44.277%0.7721%0.207SC*.SBendtrans-72.1-24.2175.5-68.7174.8000113.3
477K80.6Confident86.7Confident154 Ų15448 Ų4867%0.6723%0.234SC*.SBendtrans-125.8170.4-178.3-62179.9-178.3175.80110.2T475 P479T475-K477 VanDerWaalsContact C-N 3.31Å; T475-K477 WeakPolarHBondContact CB-O 3.48Å; T475-K477 PolarHBondContact OG1-O 2.78Å; K477-P479 WeakPolarHBondContact O-CD 3.29Å; K477-P479 VanDerWaalsContact O-N 3.15Å
478S82.8Confident86.5Confident25 Ų2546 Ų4618%0.17524%0.235CC..  trans-48.3116.9171.4-57.70000110.6Y371 A372 E495Y371-S478 PolarHBondContact O-OG 2.75Å; Y371-S478 VanDerWaalsContact O-OG 3.09Å; A372-S478 PolarHBondContact O-OG 3.07Å; S478-E495 WeakPolarHBondContact CB-O 3.06Å
479P88.1Confident86.7Confident2 Ų249.4 Ų49.41%0.01325%0.252CS..  trans-68.4137.3-174.428.9-39000111.3N188 N473 T475 K477 F481 S494 E495N188-P479 HydrophobicContact CB-CB 3.87Å; N473-P479 HydrophobicContact CB-CB 4.41Å; N473-P479 HydrophobicContact CB-CG 3.95Å; N473-P479 VanDerWaalsContact ND2-CB 3.29Å; N473-P479 WeakPolarHBondContact ND2-CB 3.39Å; N473-P479 WeakPolarHBondContact ND2-CG 3.38Å; T475-P479 HydrophobicContact CG2-CB 4.41Å; K477-P479 WeakPolarHBondContact O-CD 3.29Å; K477-P479 VanDerWaalsContact O-N 3.15Å; P479-F481 HydrophobicContact CB-CE1 4.37Å; P479-F481 HydrophobicContact CB-CE2 3.8Å; P479-F481 HydrophobicContact CB-CZ 3.57Å; P479-F481 HydrophobicContact CG-CE2 3.66Å; P479-F481 HydrophobicContact CG-CZ 3.66Å; P479-S494 WeakPolarHBondContact O-CA 3.4Å; P479-E495 WeakPolarHBondContact CD-O 3.36Å; P479-E495 HydrophobicContact CG-CB 4.17Å; P479-E495 PolarHBondContact O-N 3.23Å
480R89Confident86.9Confident32 Ų3246.2 Ų46.212%0.12125%0.245CC..EExtended strand (participates in β ladder)trans-106.5117.1175.2-174.4-176.5-74.5161.7-4.9110.8L187 N188 D230 D232 E376 Y482 T492L187-R480 PolarHBondContact O-N 2.95Å; N188-R480 VanDerWaalsContact CB-O 3.29Å; N188-R480 WeakPolarHBondContact CB-O 3.34Å; N188-R480 PolarHBondContact ND2-O 2.95Å; D230-R480 IonicContact OD1-NH1 2.65Å; D232-R480 IonicContact OD1-NH1 3.64Å; D232-R480 IonicContact OD1-NH2 3.74Å; D232-R480 PolarHBondContact OD1-NH2 3.41Å; D232-R480 IonicContact OD2-CZ 3.07Å; D232-R480 IonicContact OD2-NH1 3.24Å; D232-R480 PolarHBondContact OD2-NH1 3.09Å; D232-R480 IonicContact OD2-NH2 2.95Å; D232-R480 PolarHBondContact OD2-NH2 3.09Å; E376-R480 IonicContact OE1-NH2 3.88Å; R480-Y482 HydrophobicContact CG-CE2 4.48Å; R480-T492 HydrophobicContact CG-CG2 4.4Å
481F91.8Very high87.2Confident0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-98.4144.2178.9-55.7-77.8000110.8N188 M190 F246 L254 F258 P479 F483 T492 Y493 E495N188-F481 HydrophobicContact CB-CD1 3.71Å; N188-F481 HydrophobicContact CB-CE1 3.51Å; N188-F481 HydrophobicContact CB-CG 4.43Å; N188-F481 HydrophobicContact CB-CZ 4.09Å; M190-F481 HydrophobicContact CG-CD1 4.39Å; M190-F481 HydrophobicContact CG-CE1 3.86Å; F246-F481 HydrophobicContact CE2-CD1 4.17Å; L254-F481 HydrophobicContact CD1-CD1 3.75Å; L254-F481 HydrophobicContact CD1-CE1 3.7Å; L254-F481 HydrophobicContact CD1-CZ 4.47Å; L254-F481 HydrophobicContact CD2-CB 4.04Å; L254-F481 HydrophobicContact CD2-CD1 3.53Å; L254-F481 HydrophobicContact CD2-CD2 3.87Å; L254-F481 HydrophobicContact CD2-CE1 3.94Å; L254-F481 HydrophobicContact CD2-CE2 4.23Å; L254-F481 HydrophobicContact CD2-CG 3.5Å; L254-F481 VanDerWaalsContact CD2-CG 3.5Å; L254-F481 HydrophobicContact CD2-CZ 4.28Å; L254-F481 HydrophobicContact CG-CD1 4.2Å; L254-F481 HydrophobicContact CG-CE1 4.22Å; F258-F481 HydrophobicContact CD2-CZ 4.2Å; F258-F481 HydrophobicContact CE1-CZ 4.36Å; F258-F481 AromaticContact CE2-CE1 3.47Å; F258-F481 HydrophobicContact CE2-CE1 3.47Å; F258-F481 VanDerWaalsContact CE2-CE1 3.47Å; F258-F481 HydrophobicContact CE2-CE2 4.01Å; F258-F481 AromaticContact CE2-CZ 3.09Å; F258-F481 HydrophobicContact CE2-CZ 3.09Å; F258-F481 AromaticContact CZ-CE1 3.38Å; F258-F481 HydrophobicContact CZ-CE1 3.38Å; F258-F481 HydrophobicContact CZ-CE2 4.45Å; F258-F481 AromaticContact CZ-CZ 3.23Å; F258-F481 HydrophobicContact CZ-CZ 3.23Å; P479-F481 HydrophobicContact CB-CE1 4.37Å; P479-F481 HydrophobicContact CB-CE2 3.8Å; P479-F481 HydrophobicContact CB-CZ 3.57Å; P479-F481 HydrophobicContact CG-CE2 3.66Å; P479-F481 HydrophobicContact CG-CZ 3.66Å; F481-F483 HydrophobicContact CB-CD2 4.12Å; F481-F483 HydrophobicContact CB-CE2 3.55Å; F481-F483 HydrophobicContact CB-CZ 4.48Å; F481-T492 CarbonylContact O-C 3.56Å; F481-T492 VanDerWaalsContact O-CA 3.24Å; F481-T492 WeakPolarHBondContact O-CA 3.37Å; F481-Y493 AromaticContact CD2-CD1 3.81Å; F481-Y493 HydrophobicContact CD2-CD1 3.81Å; F481-Y493 WeakPolarHBondContact CD2-O 3.31Å; F481-Y493 PolarHBondContact N-O 3.48Å; F481-Y493 PolarHBondContact O-N 3.34Å; F481-E495 HydrophobicContact CE2-CB 3.88Å
482Y93.9Very high87.6Confident6 Ų648.3 Ų48.32%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-108.6132.9179.4-64.2-90.2000108.7L187 H228 H243 S245 F246 R480 T492L187-Y482 HydrophobicContact CD1-CE2 4.13Å; H228-Y482 HydrophobicContact CB-CD1 4.13Å; H228-Y482 HydrophobicContact CB-CE1 4.32Å; H228-Y482 AromaticContact CD2-CD1 3.81Å; H228-Y482 AromaticContact CE1-CD1 3.76Å; H228-Y482 AromaticContact CG-CD1 3.61Å; H228-Y482 AromaticContact ND1-CD1 3.6Å; H228-Y482 AromaticContact NE2-CD1 3.92Å; H243-Y482 HydrophobicContact CB-CD1 3.8Å; H243-Y482 HydrophobicContact CB-CD2 3.8Å; H243-Y482 HydrophobicContact CB-CE1 4.15Å; H243-Y482 HydrophobicContact CB-CE2 4.19Å; H243-Y482 HydrophobicContact CB-CG 3.6Å; H243-Y482 AromaticContact CD2-CD1 3.85Å; H243-Y482 AromaticContact CD2-CE1 3.38Å; H243-Y482 WeakPolarHBondContact CD2-CE1 3.27Å; H243-Y482 AromaticContact CD2-CZ 3.64Å; H243-Y482 AromaticContact CE1-CZ 3.7Å; H243-Y482 PolarHBondContact CE1-OH 3.07Å; H243-Y482 AromaticContact CG-CD1 3.84Å; H243-Y482 AromaticContact CG-CD2 3.96Å; H243-Y482 AromaticContact CG-CE1 3.65Å; H243-Y482 AromaticContact CG-CE2 3.81Å; H243-Y482 AromaticContact CG-CG 3.97Å; H243-Y482 AromaticContact CG-CZ 3.63Å; H243-Y482 AromaticContact ND1-CE2 3.71Å; H243-Y482 AromaticContact ND1-CZ 3.68Å; H243-Y482 AromaticContact NE2-CE1 3.8Å; H243-Y482 AromaticContact NE2-CZ 3.69Å; S245-Y482 CarbonylContact C-O 3.49Å; S245-Y482 WeakPolarHBondContact CA-O 3.34Å; S245-Y482 WeakPolarHBondContact OG-CB 3.23Å; F246-Y482 PolarHBondContact N-O 3.29Å; R480-Y482 HydrophobicContact CG-CE2 4.48Å; Y482-T492 HydrophobicContact CD1-CG2 3.8Å; Y482-T492 HydrophobicContact CE1-CG2 3.83Å
483F94.4Very high88Confident0 Ų048.3 Ų48.30%025%0.254CS..EExtended strand (participates in β ladder)trans-130.3155.2-177.1-75.6-93000111.9H228 F246 L251 L254 F481 T490 F491 Y493H228-F483 PolarHBondContact CE1-O 3.36Å; H228-F483 VanDerWaalsContact CE1-O 3.27Å; F246-F483 HydrophobicContact CB-CD1 3.64Å; F246-F483 HydrophobicContact CB-CE1 3.52Å; F246-F483 HydrophobicContact CB-CG 4.36Å; F246-F483 HydrophobicContact CB-CZ 4.14Å; F246-F483 HydrophobicContact CG-CE1 4.38Å; F246-F483 CarbonylContact O-C 3.54Å; F246-F483 WeakPolarHBondContact O-CA 3.45Å; L251-F483 HydrophobicContact CB-CE1 4.1Å; L251-F483 HydrophobicContact CB-CZ 4.12Å; L251-F483 HydrophobicContact CD1-CE2 4.26Å; L251-F483 HydrophobicContact CD1-CZ 3.74Å; L254-F483 HydrophobicContact CD2-CE2 4.06Å; L254-F483 HydrophobicContact CD2-CZ 3.65Å; F481-F483 HydrophobicContact CB-CD2 4.12Å; F481-F483 HydrophobicContact CB-CE2 3.55Å; F481-F483 HydrophobicContact CB-CZ 4.48Å; F483-T490 CarbonylContact O-C 3.55Å; F483-T490 VanDerWaalsContact O-CA 3.32Å; F483-T490 WeakPolarHBondContact O-CA 3.37Å; F483-F491 HydrophobicContact CB-CD1 4.04Å; F483-F491 HydrophobicContact CB-CD2 3.53Å; F483-F491 HydrophobicContact CB-CE1 3.79Å; F483-F491 HydrophobicContact CB-CE2 3.3Å; F483-F491 HydrophobicContact CB-CG 3.95Å; F483-F491 HydrophobicContact CB-CZ 3.44Å; F483-F491 VanDerWaalsContact CB-CZ 3.44Å; F483-F491 HydrophobicContact CD1-CE2 4.32Å; F483-F491 HydrophobicContact CD1-CZ 4.23Å; F483-F491 HydrophobicContact CD2-CD2 4.25Å; F483-F491 AromaticContact CD2-CE2 3.79Å; F483-F491 HydrophobicContact CD2-CE2 3.79Å; F483-F491 HydrophobicContact CD2-CZ 4.48Å; F483-F491 HydrophobicContact CG-CD2 4.15Å; F483-F491 AromaticContact CG-CE2 3.56Å; F483-F491 HydrophobicContact CG-CE2 3.56Å; F483-F491 AromaticContact CG-CZ 3.83Å; F483-F491 HydrophobicContact CG-CZ 3.83Å; F483-F491 PolarHBondContact N-O 2.83Å; F483-F491 PolarHBondContact O-N 2.82Å; F483-Y493 HydrophobicContact CE2-CD1 4.5Å; F483-Y493 HydrophobicContact CE2-CG 4.43Å
484Y93.6Very high88Confident8 Ų849.2 Ų49.23%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-133.8147.3169.872.1-87.1000111.2F222 R224 F226 S245 F246 R247 D248 N489F222-Y484 WeakPolarHBondContact O-CE1 3.21Å; F222-Y484 PolarHBondContact O-OH 2.99Å; R224-Y484 HydrophobicContact CG-CE1 4.32Å; R224-Y484 PolarHBondContact NE-OH 3.4Å; R224-Y484 VanDerWaalsContact NE-OH 3.14Å; F226-Y484 HydrophobicContact CD1-CG 4.28Å; F226-Y484 AromaticContact CD2-CD1 3.53Å; F226-Y484 HydrophobicContact CD2-CD1 3.53Å; F226-Y484 HydrophobicContact CD2-CD2 4.33Å; F226-Y484 HydrophobicContact CD2-CE1 4.08Å; F226-Y484 AromaticContact CD2-CG 3.66Å; F226-Y484 HydrophobicContact CD2-CG 3.66Å; F226-Y484 HydrophobicContact CE1-CD2 4.08Å; F226-Y484 AromaticContact CE1-CG 4Å; F226-Y484 HydrophobicContact CE1-CG 4Å; F226-Y484 AromaticContact CE2-CD1 3.42Å; F226-Y484 HydrophobicContact CE2-CD1 3.42Å; F226-Y484 VanDerWaalsContact CE2-CD1 3.42Å; F226-Y484 AromaticContact CE2-CD2 3.53Å; F226-Y484 HydrophobicContact CE2-CD2 3.53Å; F226-Y484 AromaticContact CE2-CE1 3.7Å; F226-Y484 HydrophobicContact CE2-CE1 3.7Å; F226-Y484 AromaticContact CE2-CE2 3.83Å; F226-Y484 HydrophobicContact CE2-CE2 3.83Å; F226-Y484 AromaticContact CE2-CG 3.32Å; F226-Y484 HydrophobicContact CE2-CG 3.32Å; F226-Y484 AromaticContact CE2-CZ 3.89Å; F226-Y484 HydrophobicContact CG-CD1 4.29Å; F226-Y484 HydrophobicContact CG-CG 4.13Å; F226-Y484 HydrophobicContact CZ-CD1 4.12Å; F226-Y484 AromaticContact CZ-CD2 3.39Å; F226-Y484 HydrophobicContact CZ-CD2 3.39Å; F226-Y484 AromaticContact CZ-CE2 3.9Å; F226-Y484 HydrophobicContact CZ-CE2 3.9Å; F226-Y484 AromaticContact CZ-CG 3.51Å; F226-Y484 HydrophobicContact CZ-CG 3.51Å; S245-Y484 WeakPolarHBondContact O-CE1 3.46Å; F246-Y484 WeakPolarHBondContact O-CD1 3.2Å; F246-Y484 PolarHBondContact O-N 2.85Å; R247-Y484 HydrophobicContact CB-CE1 4.12Å; R247-Y484 HydrophobicContact CB-CE2 4.29Å; R247-Y484 HydrophobicContact CG-CE2 4.31Å; D248-Y484 PolarHBondContact N-O 2.78Å; Y484-N489 CarbonylContact C-O 3.59Å; Y484-N489 VanDerWaalsContact CA-O 3.29Å; Y484-N489 WeakPolarHBondContact CA-O 3.41Å
485T92.5Very high87.8Confident11 Ų1147 Ų477%0.06724%0.244CC..  trans-92169.7175.270.80000111.4D248 S487 G488 N489 F491D248-T485 HydrophobicContact CB-CG2 4.46Å; D248-T485 WeakPolarHBondContact OD2-CA 3.34Å; T485-S487 PolarHBondContact O-N 2.96Å; T485-S487 VanDerWaalsContact O-N 3.16Å; T485-S487 PolarHBondContact OG1-N 3.42Å; T485-S487 PolarHBondContact OG1-OG 3.44Å; T485-G488 PolarHBondContact O-N 3.34Å; T485-N489 HydrophobicContact CG2-CB 4.37Å; T485-N489 PolarHBondContact N-O 3.2Å; T485-N489 PolarHBondContact OG1-N 3.2Å; T485-F491 HydrophobicContact CG2-CD1 4.08Å; T485-F491 HydrophobicContact CG2-CE1 3.94Å
486R87.8Confident87.5Confident221 Ų22146.4 Ų46.483%0.83424%0.24SC*.THydrogen-bonded Turntrans-57.1-27.8171.8-170.2177.6-178.5178.6-0.4113.6G488R486-G488 VanDerWaalsContact C-N 3.27Å
487S88.6Confident87.5Confident89 Ų8939.4 Ų39.462%0.62220%0.204SC*.THydrogen-bonded Turntrans-81.5-3.9177.360.80000113.7T485 N489T485-S487 PolarHBondContact O-N 2.96Å; T485-S487 VanDerWaalsContact O-N 3.16Å; T485-S487 PolarHBondContact OG1-N 3.42Å; T485-S487 PolarHBondContact OG1-OG 3.44Å; S487-N489 PolarHBondContact OG-ND2 3.17Å; S487-N489 VanDerWaalsContact OG-ND2 3.1Å
488G87.5Confident87.4Confident37 Ų3732.5 Ų32.538%0.38117%0.173SC..  trans86.53.5-177.500000114.4T485 R486T485-G488 PolarHBondContact O-N 3.34Å; R486-G488 VanDerWaalsContact C-N 3.27Å
489N91.1Very high87.3Confident86 Ų8631.4 Ų31.446%0.4617%0.166SC..  trans-70.8137.4174.7-66-29.3000109.7Y484 T485 S487Y484-N489 CarbonylContact C-O 3.59Å; Y484-N489 VanDerWaalsContact CA-O 3.29Å; Y484-N489 WeakPolarHBondContact CA-O 3.41Å; T485-N489 HydrophobicContact CG2-CB 4.37Å; T485-N489 PolarHBondContact N-O 3.2Å; T485-N489 PolarHBondContact OG1-N 3.2Å; S487-N489 PolarHBondContact OG-ND2 3.17Å; S487-N489 VanDerWaalsContact OG-ND2 3.1Å
490T92.3Very high87.1Confident53 Ų5331.5 Ų31.533%0.32517%0.166SC..EExtended strand (participates in β ladder)trans-108.6146.6-175.955.90000111.6F226 H228 F483F226-T490 HydrophobicContact CB-CG2 3.93Å; F226-T490 HydrophobicContact CD1-CG2 3.69Å; F226-T490 HydrophobicContact CG-CG2 4.19Å; H228-T490 VanDerWaalsContact CE1-CB 3.49Å; H228-T490 WeakPolarHBondContact CE1-CB 3.3Å; F483-T490 CarbonylContact O-C 3.55Å; F483-T490 VanDerWaalsContact O-CA 3.32Å; F483-T490 WeakPolarHBondContact O-CA 3.37Å
491F90.4Very high87Confident34 Ų3433.8 Ų33.815%0.14918%0.175CC..EExtended strand (participates in β ladder)trans-156.6151.4-17581-116.9000112D248 F483 T485D248-F491 HydrophobicContact CB-CE1 3.82Å; D248-F491 HydrophobicContact CB-CZ 3.96Å; F483-F491 HydrophobicContact CB-CD1 4.04Å; F483-F491 HydrophobicContact CB-CD2 3.53Å; F483-F491 HydrophobicContact CB-CE1 3.79Å; F483-F491 HydrophobicContact CB-CE2 3.3Å; F483-F491 HydrophobicContact CB-CG 3.95Å; F483-F491 HydrophobicContact CB-CZ 3.44Å; F483-F491 VanDerWaalsContact CB-CZ 3.44Å; F483-F491 HydrophobicContact CD1-CE2 4.32Å; F483-F491 HydrophobicContact CD1-CZ 4.23Å; F483-F491 HydrophobicContact CD2-CD2 4.25Å; F483-F491 AromaticContact CD2-CE2 3.79Å; F483-F491 HydrophobicContact CD2-CE2 3.79Å; F483-F491 HydrophobicContact CD2-CZ 4.48Å; F483-F491 HydrophobicContact CG-CD2 4.15Å; F483-F491 AromaticContact CG-CE2 3.56Å; F483-F491 HydrophobicContact CG-CE2 3.56Å; F483-F491 AromaticContact CG-CZ 3.83Å; F483-F491 HydrophobicContact CG-CZ 3.83Å; F483-F491 PolarHBondContact N-O 2.83Å; F483-F491 PolarHBondContact O-N 2.82Å; T485-F491 HydrophobicContact CG2-CD1 4.08Å; T485-F491 HydrophobicContact CG2-CE1 3.94Å
492T90Very high86.9Confident31 Ų3133.8 Ų33.819%0.1918%0.175CC..EExtended strand (participates in β ladder)trans-108.7132.7-178.350.70000112.9R404 R480 F481 Y482R404-T492 VanDerWaalsContact NH1-C 3.32Å; R404-T492 PolarHBondContact NH1-O 3.06Å; R404-T492 PolarHBondContact NH2-O 2.83Å; R480-T492 HydrophobicContact CG-CG2 4.4Å; F481-T492 CarbonylContact O-C 3.56Å; F481-T492 VanDerWaalsContact O-CA 3.24Å; F481-T492 WeakPolarHBondContact O-CA 3.37Å; Y482-T492 HydrophobicContact CD1-CG2 3.8Å; Y482-T492 HydrophobicContact CE1-CG2 3.83Å
493Y84.9Confident86.9Confident13 Ų1333.8 Ų33.85%0.05118%0.175CC..EExtended strand (participates in β ladder)trans-114.4130.5173.9176.3-105.2000109.1L251 L255 L401 F481 F483 E495L251-Y493 HydrophobicContact CD1-CD1 3.76Å; L251-Y493 HydrophobicContact CD1-CE1 3.82Å; L251-Y493 HydrophobicContact CD1-CG 4.15Å; L255-Y493 HydrophobicContact CD2-CE1 4.25Å; L401-Y493 HydrophobicContact CD2-CE2 3.76Å; L401-Y493 HydrophobicContact CG-CE2 4.16Å; F481-Y493 AromaticContact CD2-CD1 3.81Å; F481-Y493 HydrophobicContact CD2-CD1 3.81Å; F481-Y493 WeakPolarHBondContact CD2-O 3.31Å; F481-Y493 PolarHBondContact N-O 3.48Å; F481-Y493 PolarHBondContact O-N 3.34Å; F483-Y493 HydrophobicContact CE2-CD1 4.5Å; F483-Y493 HydrophobicContact CE2-CG 4.43Å; Y493-E495 HydrophobicContact CE1-CB 4.04Å; Y493-E495 WeakPolarHBondContact CE1-OE2 3.22Å; Y493-E495 PolarHBondContact OH-OE2 2.72Å
494S84.2Confident86.9Confident19 Ų1934.2 Ų34.213%0.13318%0.176CC..EExtended strand (participates in β ladder)trans-115.7116.2177.5-62.10000109.7P373 P479P373-S494 WeakPolarHBondContact CG-O 3.37Å; P479-S494 WeakPolarHBondContact O-CA 3.4Å
495E78.8Confident87Confident7 Ų734 Ų343%0.03318%0.175CC..PPolyproline II helixtrans-86.1138.2176.4-174.267.5-166.100109S415 L416 S478 P479 F481 Y493 L497S415-E495 PolarHBondContact OG-OE1 2.49Å; L416-E495 PolarHBondContact N-OE1 3.45Å; S478-E495 WeakPolarHBondContact CB-O 3.06Å; P479-E495 WeakPolarHBondContact CD-O 3.36Å; P479-E495 HydrophobicContact CG-CB 4.17Å; P479-E495 PolarHBondContact O-N 3.23Å; F481-E495 HydrophobicContact CE2-CB 3.88Å; Y493-E495 HydrophobicContact CE1-CB 4.04Å; Y493-E495 WeakPolarHBondContact CE1-OE2 3.22Å; Y493-E495 PolarHBondContact OH-OE2 2.72Å; E495-L497 PolarHBondContact O-N 3.15Å
496P77.8Confident87.2Confident0 Ų033.4 Ų33.40%017%0.172CC..PPolyproline II helixtrans-59.4138.8170.7-15.926.6000111.2Y371 P373 I393 A397 C417Y371-P496 WeakPolarHBondContact O-CA 3.31Å; P373-P496 HydrophobicContact CG-CG 4.14Å; I393-P496 HydrophobicContact CG2-CB 3.65Å; I393-P496 HydrophobicContact CG2-CG 3.67Å; A397-P496 HydrophobicContact CB-CG 3.98Å; C417-P496 PolarHBondContact SG-O 3.45Å
497L77.9Confident87.5Confident0 Ų023.3 Ų23.30%013%0.134CC..EExtended strand (participates in β ladder)trans-86.6116.1174.4-174.471.7000109.5Y371 N473 E495 V499Y371-L497 HydrophobicContact CD2-CB 4.41Å; Y371-L497 HydrophobicContact CD2-CD2 4.28Å; Y371-L497 PolarHBondContact N-O 2.92Å; Y371-L497 PolarHBondContact O-N 2.58Å; Y371-L497 VanDerWaalsContact O-N 3.08Å; N473-L497 HydrophobicContact CB-CD1 3.77Å; E495-L497 PolarHBondContact O-N 3.15Å; L497-V499 HydrophobicContact CD2-CG2 3.84Å; L497-V499 HydrophobicContact CG-CG2 3.92Å
498R78.4Confident87.8Confident8 Ų821.6 Ų21.63%0.0311%0.114CC..EExtended strand (participates in β ladder)trans-89.4124.6167.7-176.6179.4-179.81770.1108.3M368 Y370 E419 S471 S472 I500M368-R498 PolarHBondContact SD-NH2 2.83Å; Y370-R498 HydrophobicContact CD1-CB 4.23Å; Y370-R498 HydrophobicContact CD1-CG 4.14Å; Y370-R498 HydrophobicContact CE1-CB 4.28Å; Y370-R498 HydrophobicContact CE1-CG 3.8Å; E419-R498 PolarHBondContact O-NH1 3.19Å; S471-R498 CarbonylContact C-O 3.6Å; S471-R498 WeakPolarHBondContact CA-O 3.43Å; S472-R498 PolarHBondContact N-O 2.76Å; S472-R498 PolarHBondContact OG-N 2.88Å; S472-R498 VanDerWaalsContact OG-N 3.08Å; R498-I500 HydrophobicContact CG-CG1 4.29Å
499V81Confident87.7Confident2 Ų220.7 Ų20.71%0.01210%0.099CC..EExtended strand (participates in β ladder)trans-117.6127173.1-178.50000108.2M368 T369 Y371 R469 L497M368-V499 WeakPolarHBondContact CA-O 3.09Å; T369-V499 PolarHBondContact N-O 3.15Å; T369-V499 PolarHBondContact O-N 3.02Å; Y371-V499 HydrophobicContact CD2-CG2 3.91Å; Y371-V499 HydrophobicContact CE2-CB 4.09Å; Y371-V499 HydrophobicContact CE2-CG2 3.58Å; R469-V499 HydrophobicContact CG-CG1 3.84Å; L497-V499 HydrophobicContact CD2-CG2 3.84Å; L497-V499 HydrophobicContact CG-CG2 3.92Å
500I82.8Confident87Confident4 Ų420 Ų202%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-114.1125.4175.5-57.9165.2000107.7Y366 E367 M368 R469 F470 R498Y366-I500 HydrophobicContact CD1-CG2 3.85Å; E367-I500 CarbonylContact O-C 3.56Å; E367-I500 WeakPolarHBondContact O-CA 3.46Å; M368-I500 HydrophobicContact CE-CD1 4.46Å; M368-I500 HydrophobicContact CE-CG1 4.45Å; M368-I500 HydrophobicContact CE-CG2 4.37Å; M368-I500 HydrophobicContact CG-CG1 4.05Å; M368-I500 HydrophobicContact CG-CG2 4.38Å; M368-I500 HydrophobicContact SD-CD1 4.33Å; M368-I500 HydrophobicContact SD-CG1 4.06Å; R469-I500 WeakPolarHBondContact CA-O 3.24Å; F470-I500 HydrophobicContact CD1-CB 4.07Å; F470-I500 HydrophobicContact CD1-CG2 4.27Å; F470-I500 WeakPolarHBondContact CD1-O 3.47Å; F470-I500 HydrophobicContact CD2-CB 4.07Å; F470-I500 HydrophobicContact CD2-CD1 4.08Å; F470-I500 HydrophobicContact CE1-CB 3.69Å; F470-I500 HydrophobicContact CE1-CG2 3.45Å; F470-I500 VanDerWaalsContact CE1-CG2 3.45Å; F470-I500 HydrophobicContact CE2-CB 3.64Å; F470-I500 HydrophobicContact CE2-CD1 3.27Å; F470-I500 HydrophobicContact CE2-CG1 3.99Å; F470-I500 HydrophobicContact CE2-CG2 3.98Å; F470-I500 HydrophobicContact CG-CB 4.3Å; F470-I500 HydrophobicContact CZ-CB 3.47Å; F470-I500 VanDerWaalsContact CZ-CB 3.47Å; F470-I500 HydrophobicContact CZ-CD1 3.69Å; F470-I500 HydrophobicContact CZ-CG1 4.17Å; F470-I500 HydrophobicContact CZ-CG2 3.29Å; F470-I500 PolarHBondContact N-O 3.3Å; F470-I500 PolarHBondContact O-N 3.29Å; F470-I500 VanDerWaalsContact O-O 3.11Å; R498-I500 HydrophobicContact CG-CG1 4.29Å
501R87.5Confident85.7Confident81 Ų8124.7 Ų24.731%0.30612%0.124SC..EExtended strand (participates in β ladder)trans-102.6126.1164.7-61177.1175.6-171.4-7.8107.9Y366 E367 E467 S468 R469 Y503Y366-R501 CarbonylContact C-O 3.41Å; Y366-R501 WeakPolarHBondContact CA-O 3.49Å; E367-R501 HydrophobicContact CB-CB 4.24Å; E367-R501 PolarHBondContact N-O 3.36Å; E367-R501 PolarHBondContact O-N 3.43Å; E367-R501 WeakPolarHBondContact OE2-CD 3.46Å; E367-R501 IonicContact OE2-NH1 3.84Å; E467-R501 IonicContact OE1-NE 3.62Å; S468-R501 CarbonylContact O-C 3.59Å; S468-R501 WeakPolarHBondContact O-CA 3.34Å; R469-R501 HydrophobicContact CG-CG 4.41Å; R501-Y503 HydrophobicContact CB-CE2 4.04Å
502A89.2Confident84.2Confident0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-110.8117176.200000108.8Y366 E467 S468 F470Y366-A502 HydrophobicContact CD1-CB 3.57Å; Y366-A502 HydrophobicContact CE1-CB 3.44Å; Y366-A502 VanDerWaalsContact CE1-CB 3.44Å; E467-A502 WeakPolarHBondContact CA-O 3.22Å; S468-A502 PolarHBondContact N-O 3.16Å; S468-A502 PolarHBondContact O-N 3.08Å; F470-A502 HydrophobicContact CE1-CB 4.2Å
503Y93.2Very high82.5Confident6 Ų628.5 Ų28.52%0.02416%0.156CC..EExtended strand (participates in β ladder)trans-96.9121.4170.6-54.4-91.7000107.6S364 I365 E367 F428 H438 K440 I443 V465 T466 E467 R501S364-Y503 CarbonylContact C-O 3.58Å; S364-Y503 VanDerWaalsContact CA-O 3.24Å; S364-Y503 WeakPolarHBondContact CA-O 3.41Å; I365-Y503 HydrophobicContact CG2-CD2 4.22Å; I365-Y503 HydrophobicContact CG2-CG 4.43Å; I365-Y503 PolarHBondContact N-O 3.23Å; I365-Y503 PolarHBondContact O-N 3.02Å; E367-Y503 HydrophobicContact CB-CE2 4.17Å; E367-Y503 PolarHBondContact OE2-OH 3.18Å; E367-Y503 VanDerWaalsContact OE2-OH 3.14Å; F428-Y503 AromaticContact CE2-CD2 3.8Å; F428-Y503 HydrophobicContact CE2-CD2 3.8Å; F428-Y503 AromaticContact CE2-CE2 3.8Å; F428-Y503 HydrophobicContact CE2-CE2 3.8Å; F428-Y503 HydrophobicContact CZ-CD2 4.25Å; F428-Y503 HydrophobicContact CZ-CE2 4.38Å; H438-Y503 PolarHBondContact O-OH 2.93Å; K440-Y503 HydrophobicContact CG-CD1 4.37Å; I443-Y503 HydrophobicContact CD1-CD1 3.47Å; I443-Y503 VanDerWaalsContact CD1-CD1 3.47Å; I443-Y503 HydrophobicContact CD1-CD2 4.04Å; I443-Y503 HydrophobicContact CD1-CE1 4.03Å; I443-Y503 HydrophobicContact CD1-CG 3.47Å; I443-Y503 VanDerWaalsContact CD1-CG 3.47Å; V465-Y503 HydrophobicContact CG1-CD1 4.3Å; T466-Y503 WeakPolarHBondContact O-CA 3.25Å; E467-Y503 HydrophobicContact CB-CD1 4.12Å; E467-Y503 HydrophobicContact CB-CE1 4.16Å; E467-Y503 HydrophobicContact CG-CD1 4.13Å; E467-Y503 HydrophobicContact CG-CE1 3.79Å; R501-Y503 HydrophobicContact CB-CE2 4.04Å
504R94.6Very high81.1Confident9 Ų933 Ų333%0.03418%0.181CC..EExtended strand (participates in β ladder)trans-118.9125.5-177.9-54.5-166.2174.377.4-2.9109.6Q270 Y361 S364 V465 T466 S468 Y506Q270-R504 PolarHBondContact O-NH2 3.06Å; Q270-R504 VanDerWaalsContact O-NH2 3.09Å; Y361-R504 HydrophobicContact CE2-CB 4.22Å; Y361-R504 HydrophobicContact CE2-CG 4.42Å; S364-R504 WeakPolarHBondContact OG-CG 3.15Å; V465-R504 WeakPolarHBondContact CA-O 3.35Å; T466-R504 PolarHBondContact N-O 3.4Å; T466-R504 PolarHBondContact O-N 3.08Å; S468-R504 PolarHBondContact OG-NH1 2.83Å; R504-Y506 HydrophobicContact CB-CD2 4.37Å; R504-Y506 HydrophobicContact CB-CE2 3.51Å; R504-Y506 VanDerWaalsContact CD-OH 3.27Å; R504-Y506 WeakPolarHBondContact CD-OH 3.38Å; R504-Y506 WeakPolarHBondContact O-CD2 3.5Å
505L96.5Very high80Confident2 Ų239 Ų391%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-88.4130.2176.1179.368000110I362 D363 L444 I447 L463 L464 V465 L525 F529I362-L505 HydrophobicContact CB-CB 4.32Å; I362-L505 HydrophobicContact CB-CD2 4Å; I362-L505 HydrophobicContact CB-CG 4.15Å; I362-L505 HydrophobicContact CG1-CD2 4.17Å; I362-L505 HydrophobicContact CG1-CG 4.18Å; I362-L505 HydrophobicContact CG2-CD2 4.07Å; I362-L505 PolarHBondContact N-O 3.27Å; D363-L505 PolarHBondContact O-N 3.07Å; L444-L505 HydrophobicContact CD1-CD1 4.3Å; I447-L505 HydrophobicContact CD1-CD2 4.06Å; I447-L505 HydrophobicContact CG2-CD2 4.01Å; L463-L505 HydrophobicContact CB-CD1 4.34Å; L464-L505 CarbonylContact O-C 3.55Å; L464-L505 WeakPolarHBondContact O-CA 3.43Å; V465-L505 HydrophobicContact CG2-CD1 3.96Å; L505-L525 HydrophobicContact CD2-CD2 4.38Å; L505-F529 HydrophobicContact CB-CD2 4.25Å; L505-F529 HydrophobicContact CB-CE2 4.33Å; L505-F529 HydrophobicContact CD2-CD2 3.97Å
506Y96.5Very high79Confident0 Ų043.6 Ų43.60%024%0.237CC..EExtended strand (participates in β ladder)trans-124.9149.9172-58.2-90.7000111K272 T275 A276 T360 Y361 L463 L464 T466 R504K272-Y506 PolarHBondContact O-OH 3.43Å; T275-Y506 WeakPolarHBondContact CB-OH 3.31Å; T275-Y506 HydrophobicContact CG2-CE2 4.19Å; A276-Y506 HydrophobicContact CB-CD1 3.97Å; A276-Y506 HydrophobicContact CB-CE1 3.64Å; T360-Y506 CarbonylContact O-C 3.55Å; T360-Y506 VanDerWaalsContact O-CA 3.26Å; T360-Y506 WeakPolarHBondContact O-CA 3.43Å; Y361-Y506 HydrophobicContact CD2-CD1 4.42Å; Y361-Y506 AromaticContact CD2-CE1 3.76Å; Y361-Y506 HydrophobicContact CD2-CE1 3.76Å; Y361-Y506 HydrophobicContact CG-CE1 4.26Å; L463-Y506 WeakPolarHBondContact CA-O 3.31Å; L464-Y506 PolarHBondContact N-O 2.79Å; L464-Y506 PolarHBondContact O-N 2.94Å; T466-Y506 HydrophobicContact CG2-CD2 3.97Å; T466-Y506 HydrophobicContact CG2-CE2 3.77Å; T466-Y506 WeakPolarHBondContact OG1-CE2 3.37Å; R504-Y506 HydrophobicContact CB-CD2 4.37Å; R504-Y506 HydrophobicContact CB-CE2 3.51Å; R504-Y506 VanDerWaalsContact CD-OH 3.27Å; R504-Y506 WeakPolarHBondContact CD-OH 3.38Å; R504-Y506 WeakPolarHBondContact O-CD2 3.5Å
507W94.9Very high78.6Confident8 Ų846.3 Ų46.33%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-102.7120.3167.5177.137.3000109.6Y359 T360 I362 D462 L463 R509 I518 P521 V522 L525Y359-W507 CarbonylContact C-O 3.59Å; Y359-W507 WeakPolarHBondContact CA-O 3.12Å; T360-W507 PolarHBondContact N-O 2.78Å; T360-W507 PolarHBondContact O-N 3.48Å; I362-W507 HydrophobicContact CD1-CB 4.38Å; D462-W507 PolarHBondContact OD2-NE1 2.72Å; L463-W507 HydrophobicContact CD2-CB 4.34Å; W507-R509 VanDerWaalsContact C-N 3.31Å; W507-R509 HydrophobicContact CD2-CB 4.48Å; W507-R509 HydrophobicContact CD2-CG 3.36Å; W507-R509 HydrophobicContact CE3-CG 3.41Å; W507-R509 VanDerWaalsContact CE3-CG 3.41Å; W507-R509 HydrophobicContact CG-CG 3.98Å; W507-R509 HydrophobicContact CH2-CG 3.84Å; W507-R509 HydrophobicContact CZ2-CB 4.47Å; W507-R509 HydrophobicContact CZ2-CG 3.8Å; W507-R509 HydrophobicContact CZ3-CG 3.66Å; W507-R509 PolarHBondContact O-N 2.95Å; W507-I518 HydrophobicContact CZ3-CB 4.41Å; W507-I518 HydrophobicContact CZ3-CG1 4.36Å; W507-I518 HydrophobicContact CZ3-CG2 4.08Å; W507-P521 HydrophobicContact CE3-CB 4.36Å; W507-P521 HydrophobicContact CH2-CB 3.69Å; W507-P521 HydrophobicContact CH2-CG 3.8Å; W507-P521 HydrophobicContact CZ2-CB 4.05Å; W507-P521 HydrophobicContact CZ2-CG 4.3Å; W507-P521 HydrophobicContact CZ3-CB 3.85Å; W507-P521 HydrophobicContact CZ3-CG 4.3Å; W507-V522 HydrophobicContact CE3-CG2 4.08Å; W507-V522 HydrophobicContact CZ3-CG2 4.2Å; W507-L525 HydrophobicContact CB-CD1 3.82Å; W507-L525 HydrophobicContact CD2-CD1 4.44Å; W507-L525 HydrophobicContact CG-CD1 4.01Å
508R93.8Very high78.7Confident53 Ų5348.1 Ų48.120%0.227%0.269CS..  trans-71.2-24.3-175.4-66.8-174.4178.9-116.3-6.4113.3D283 R352 Y359 D461 D462 L464 S510D283-R508 IonicContact OD1-CZ 3.4Å; D283-R508 IonicContact OD1-NH1 2.71Å; D283-R508 PolarHBondContact OD1-NH1 2.63Å; D283-R508 IonicContact OD1-NH2 3.66Å; D283-R508 PolarHBondContact OD1-NH2 3.35Å; D283-R508 VanDerWaalsContact OD1-NH2 3.08Å; D283-R508 IonicContact OD2-CZ 3.48Å; D283-R508 IonicContact OD2-NH1 3.89Å; D283-R508 PolarHBondContact OD2-NH1 2.88Å; D283-R508 IonicContact OD2-NH2 3.7Å; R352-R508 PolarHBondContact NH1-O 2.88Å; R352-R508 PolarHBondContact NH2-O 3.36Å; Y359-R508 VanDerWaalsContact CD1-CA 3.49Å; Y359-R508 HydrophobicContact CD1-CB 4.12Å; Y359-R508 HydrophobicContact CD1-CG 4.38Å; Y359-R508 WeakPolarHBondContact CD1-O 3.47Å; Y359-R508 HydrophobicContact CD2-CG 4.34Å; Y359-R508 HydrophobicContact CE1-CB 3.81Å; Y359-R508 HydrophobicContact CE1-CG 4.02Å; Y359-R508 WeakPolarHBondContact CE1-O 3.47Å; Y359-R508 HydrophobicContact CE2-CG 4Å; Y359-R508 PolarHBondContact OH-NH1 3.49Å; D461-R508 VanDerWaalsContact O-CD 3.24Å; D461-R508 WeakPolarHBondContact O-CD 3.3Å; D461-R508 PolarHBondContact O-NE 2.84Å; D462-R508 WeakPolarHBondContact O-CB 3.38Å; D462-R508 PolarHBondContact O-N 2.9Å; L464-R508 HydrophobicContact CB-CG 4.35Å; R508-S510 VanDerWaalsContact C-N 3.35Å; R508-S510 PolarHBondContact O-N 2.97Å
509R86.4Confident79Confident18 Ų1852.1 Ų52.17%0.06830%0.298CS..  trans60.938.6178.3-68.5178.950.9-142.4-15.6113.5D357 T360 D462 W507 N511 S512D357-R509 IonicContact OD1-CZ 3.64Å; D357-R509 IonicContact OD1-NH1 2.71Å; D357-R509 PolarHBondContact OD1-NH1 3.07Å; D357-R509 IonicContact OD1-NH2 3.22Å; D357-R509 PolarHBondContact OD1-NH2 3.34Å; D357-R509 IonicContact OD2-NH2 3.71Å; T360-R509 WeakPolarHBondContact OG1-CD 3.34Å; D462-R509 PolarHBondContact OD1-N 2.9Å; D462-R509 VanDerWaalsContact OD1-N 3.07Å; W507-R509 VanDerWaalsContact C-N 3.31Å; W507-R509 HydrophobicContact CD2-CB 4.48Å; W507-R509 HydrophobicContact CD2-CG 3.36Å; W507-R509 HydrophobicContact CE3-CG 3.41Å; W507-R509 VanDerWaalsContact CE3-CG 3.41Å; W507-R509 HydrophobicContact CG-CG 3.98Å; W507-R509 HydrophobicContact CH2-CG 3.84Å; W507-R509 HydrophobicContact CZ2-CB 4.47Å; W507-R509 HydrophobicContact CZ2-CG 3.8Å; W507-R509 HydrophobicContact CZ3-CG 3.66Å; W507-R509 PolarHBondContact O-N 2.95Å; R509-N511 PolarHBondContact O-N 3.06Å; R509-N511 VanDerWaalsContact O-N 3.16Å; R509-S512 WeakPolarHBondContact CB-OG 3.43Å; R509-S512 PolarHBondContact NE-OG 3.27Å; R509-S512 PolarHBondContact O-N 2.96Å
510S75.9Confident79.4Confident72 Ų7257.5 Ų57.550%0.50332%0.318SS..THydrogen-bonded Turntrans-61.1-29.8-170.9-49.80000113.2D462 R508D462-S510 WeakPolarHBondContact OD1-CB 3.28Å; D462-S510 PolarHBondContact OD1-N 3.19Å; D462-S510 PolarHBondContact OD1-OG 3.09Å; R508-S510 VanDerWaalsContact C-N 3.35Å; R508-S510 PolarHBondContact O-N 2.97Å
511N64.2Low79.8Confident151 Ų15157.9 Ų57.981%0.80732%0.321SS*.THydrogen-bonded Turntrans-115.15.2-174.6-66.4-28.5000115.4R509R509-N511 PolarHBondContact O-N 3.06Å; R509-N511 VanDerWaalsContact O-N 3.16Å
512S59.4Low80Confident28 Ų2855.8 Ų55.820%0.19632%0.317CS..  trans-100.797.9-176.464.20000112.6R509 L514R509-S512 WeakPolarHBondContact CB-OG 3.43Å; R509-S512 PolarHBondContact NE-OG 3.27Å; R509-S512 PolarHBondContact O-N 2.96Å; S512-L514 VanDerWaalsContact C-N 3.33Å
513S54Low80.1Confident118 Ų11858.5 Ų58.583%0.82533%0.334SS*.  trans-75-18.517756.70000114
514L56.8Low80.2Confident107 Ų10758.2 Ų58.256%0.5633%0.332SS*.  trans-113.2116.7-174.2-84.1143.8000111.5S512 S516 A517S512-L514 VanDerWaalsContact C-N 3.33Å; L514-S516 PolarHBondContact O-N 2.83Å; L514-S516 VanDerWaalsContact O-N 3.08Å; L514-A517 PolarHBondContact O-N 2.79Å; L514-A517 VanDerWaalsContact O-N 3.11Å
515K60.7Low80.2Confident145 Ų14557.8 Ų57.863%0.6333%0.331SS*.G310 helixtrans-55-25.5172.4-72.6-174.8177.8-1790113A517 I518K515-A517 VanDerWaalsContact C-N 3.29Å; K515-A517 PolarHBondContact O-N 2.91Å; K515-I518 HydrophobicContact CB-CD1 4.35Å; K515-I518 WeakPolarHBondContact O-CD1 3.15Å; K515-I518 WeakPolarHBondContact O-CG1 3.32Å
516S57.2Low80.1Confident103 Ų10359.6 Ų59.672%0.7234%0.342SS*.G310 helixtrans-71.7-15.6-18052.20000114.5L514L514-S516 PolarHBondContact O-N 2.83Å; L514-S516 VanDerWaalsContact O-N 3.08Å
517A70.1Confident80Confident57 Ų5763.8 Ų63.847%0.47136%0.362SS..G310 helixtrans-96.712.2-177.500000114.3L514 K515 P521L514-A517 PolarHBondContact O-N 2.79Å; L514-A517 VanDerWaalsContact O-N 3.11Å; K515-A517 VanDerWaalsContact C-N 3.29Å; K515-A517 PolarHBondContact O-N 2.91Å; A517-P521 WeakPolarHBondContact O-CD 3.36Å
518I79.7Confident80Confident38 Ų3863.4 Ų63.420%0.19536%0.36CS..  trans-80.7-28.5-171-66.9174.1000113W507 K515 R520 P521 V522W507-I518 HydrophobicContact CZ3-CB 4.41Å; W507-I518 HydrophobicContact CZ3-CG1 4.36Å; W507-I518 HydrophobicContact CZ3-CG2 4.08Å; K515-I518 HydrophobicContact CB-CD1 4.35Å; K515-I518 WeakPolarHBondContact O-CD1 3.15Å; K515-I518 WeakPolarHBondContact O-CG1 3.32Å; I518-R520 PolarHBondContact O-N 2.82Å; I518-P521 WeakPolarHBondContact O-CD 2.91Å; I518-V522 HydrophobicContact CG2-CG2 3.67Å; I518-V522 VanDerWaalsContact O-CG2 3.28Å; I518-V522 WeakPolarHBondContact O-CG2 3.43Å; I518-V522 PolarHBondContact O-N 3.42Å
519S84.3Confident80Confident92 Ų9260.9 Ų60.964%0.64335%0.351SS*.Hα-helixtrans-60.2-52.5-168.2-173.50000113.1V522 T523S519-V522 PolarHBondContact O-N 2.65Å; S519-T523 PolarHBondContact O-N 2.65Å; S519-T523 PolarHBondContact O-OG1 3.5Å; S519-T523 VanDerWaalsContact O-OG1 3.08Å
520R89.1Confident80.3Confident115 Ų11562.5 Ų62.543%0.43436%0.361SS..Hα-helixtrans-62.9-50.8-176.2176.963.7172164-0112.9D454 I518 V522 T523 C524D454-R520 IonicContact OD1-NH2 3.6Å; D454-R520 PolarHBondContact OD1-NH2 3.45Å; D454-R520 IonicContact OD2-CZ 3.12Å; D454-R520 IonicContact OD2-NE 2.68Å; D454-R520 IonicContact OD2-NH2 3.58Å; D454-R520 PolarHBondContact OD2-NH2 2.87Å; I518-R520 PolarHBondContact O-N 2.82Å; R520-V522 VanDerWaalsContact C-N 3.31Å; R520-V522 PolarHBondContact O-N 3.36Å; R520-T523 PolarHBondContact O-N 2.91Å; R520-C524 PolarHBondContact NE-SG 3.36Å; R520-C524 PolarHBondContact O-N 3Å; R520-C524 PolarHBondContact O-SG 3.44Å; R520-C524 VanDerWaalsContact O-SG 3.36Å
521P91.1Very high81Confident13 Ų1364.4 Ų64.48%0.08436%0.357CS..Hα-helixtrans-56.9-41.4176.1-26.232.8000113.5S455 I457 W507 A517 I518 C524 L525S455-P521 WeakPolarHBondContact O-CA 3.45Å; S455-P521 WeakPolarHBondContact O-CG 3.2Å; I457-P521 HydrophobicContact CD1-CB 3.91Å; I457-P521 HydrophobicContact CG1-CB 4.23Å; W507-P521 HydrophobicContact CE3-CB 4.36Å; W507-P521 HydrophobicContact CH2-CB 3.69Å; W507-P521 HydrophobicContact CH2-CG 3.8Å; W507-P521 HydrophobicContact CZ2-CB 4.05Å; W507-P521 HydrophobicContact CZ2-CG 4.3Å; W507-P521 HydrophobicContact CZ3-CB 3.85Å; W507-P521 HydrophobicContact CZ3-CG 4.3Å; A517-P521 WeakPolarHBondContact O-CD 3.36Å; I518-P521 WeakPolarHBondContact O-CD 2.91Å; P521-C524 PolarHBondContact O-N 2.9Å; P521-L525 WeakPolarHBondContact O-CB 3.38Å; P521-L525 WeakPolarHBondContact O-CG 3.22Å; P521-L525 PolarHBondContact O-N 3.13Å
522V91.9Very high82.4Confident36 Ų3657.5 Ų57.522%0.21832%0.32CS..Hα-helixtrans-65.2-43178.4172.20000111.3T360 I362 W507 I518 S519 R520 L525 T526T360-V522 HydrophobicContact CG2-CG2 3.92Å; I362-V522 HydrophobicContact CD1-CG1 4.3Å; I362-V522 HydrophobicContact CD1-CG2 4.28Å; W507-V522 HydrophobicContact CE3-CG2 4.08Å; W507-V522 HydrophobicContact CZ3-CG2 4.2Å; I518-V522 HydrophobicContact CG2-CG2 3.67Å; I518-V522 VanDerWaalsContact O-CG2 3.28Å; I518-V522 WeakPolarHBondContact O-CG2 3.43Å; I518-V522 PolarHBondContact O-N 3.42Å; S519-V522 PolarHBondContact O-N 2.65Å; R520-V522 VanDerWaalsContact C-N 3.31Å; R520-V522 PolarHBondContact O-N 3.36Å; V522-L525 PolarHBondContact O-N 2.65Å; V522-T526 WeakPolarHBondContact O-CB 3.24Å; V522-T526 PolarHBondContact O-N 2.86Å; V522-T526 PolarHBondContact O-OG1 3.32Å
523T92.7Very high83.8Confident57 Ų5756.7 Ų56.735%0.3531%0.313SS..Hα-helixtrans-60.5-49.4175.1-590000110.9S519 R520 L525 T526 E527S519-T523 PolarHBondContact O-N 2.65Å; S519-T523 PolarHBondContact O-OG1 3.5Å; S519-T523 VanDerWaalsContact O-OG1 3.08Å; R520-T523 PolarHBondContact O-N 2.91Å; T523-L525 PolarHBondContact O-N 3.18Å; T523-T526 PolarHBondContact O-N 2.7Å; T523-E527 WeakPolarHBondContact CG2-OE1 3.22Å; T523-E527 WeakPolarHBondContact O-CG 3.36Å; T523-E527 PolarHBondContact O-N 3.14Å
524C94Very high85.4Confident0 Ų055.5 Ų55.50%029%0.294CS..Hα-helixtrans-60.3-42.3178.5-68.90000112.6L451 P452 R520 P521 E527 A528L451-C524 HydrophobicContact CD2-CB 4.22Å; P452-C524 HydrophobicContact CG-CB 4.06Å; R520-C524 PolarHBondContact NE-SG 3.36Å; R520-C524 PolarHBondContact O-N 3Å; R520-C524 PolarHBondContact O-SG 3.44Å; R520-C524 VanDerWaalsContact O-SG 3.36Å; P521-C524 PolarHBondContact O-N 2.9Å; C524-E527 PolarHBondContact O-N 2.91Å; C524-A528 VanDerWaalsContact O-CB 3.29Å; C524-A528 WeakPolarHBondContact O-CB 3.29Å; C524-A528 PolarHBondContact O-N 2.91Å
525L94.6Very high86.7Confident0 Ų053.2 Ų53.20%028%0.283CS..Hα-helixtrans-64.2-42.3175.4-81.8168.5000112.2I362 L451 I457 L463 L505 W507 P521 V522 T523 A528 F529I362-L525 HydrophobicContact CD1-CB 4.02Å; I362-L525 HydrophobicContact CD1-CD1 3.67Å; I362-L525 HydrophobicContact CG1-CB 4.17Å; I362-L525 HydrophobicContact CG1-CD1 3.95Å; I362-L525 HydrophobicContact CG2-CB 4.01Å; L451-L525 HydrophobicContact CD1-CD2 4.02Å; L451-L525 HydrophobicContact CD2-CD2 3.82Å; L451-L525 HydrophobicContact CD2-CG 4.07Å; L451-L525 HydrophobicContact CG-CD2 4.38Å; I457-L525 HydrophobicContact CD1-CD1 3.27Å; I457-L525 HydrophobicContact CD1-CD2 3.94Å; I457-L525 HydrophobicContact CD1-CG 3.44Å; I457-L525 VanDerWaalsContact CD1-CG 3.44Å; L463-L525 HydrophobicContact CD1-CD2 3.9Å; L463-L525 HydrophobicContact CD2-CD1 3.97Å; L463-L525 HydrophobicContact CD2-CD2 3.56Å; L463-L525 HydrophobicContact CD2-CG 4.41Å; L463-L525 HydrophobicContact CG-CD2 4.4Å; L505-L525 HydrophobicContact CD2-CD2 4.38Å; W507-L525 HydrophobicContact CB-CD1 3.82Å; W507-L525 HydrophobicContact CD2-CD1 4.44Å; W507-L525 HydrophobicContact CG-CD1 4.01Å; P521-L525 WeakPolarHBondContact O-CB 3.38Å; P521-L525 WeakPolarHBondContact O-CG 3.22Å; P521-L525 PolarHBondContact O-N 3.13Å; V522-L525 PolarHBondContact O-N 2.65Å; T523-L525 PolarHBondContact O-N 3.18Å; L525-A528 PolarHBondContact O-N 2.74Å; L525-F529 VanDerWaalsContact O-CB 3.29Å; L525-F529 WeakPolarHBondContact O-CB 3.42Å; L525-F529 PolarHBondContact O-N 3.39Å
526T93.9Very high87.7Confident41 Ų4148.8 Ų48.825%0.25227%0.265SS..Hα-helixtrans-63.9-42.9177.7-55.70000110.9V522 T523 F529 N530V522-T526 WeakPolarHBondContact O-CB 3.24Å; V522-T526 PolarHBondContact O-N 2.86Å; V522-T526 PolarHBondContact O-OG1 3.32Å; T523-T526 PolarHBondContact O-N 2.7Å; T526-F529 PolarHBondContact O-N 2.86Å; T526-N530 WeakPolarHBondContact O-CB 3.29Å; T526-N530 PolarHBondContact O-N 3.28Å; T526-N530 PolarHBondContact O-ND2 3.44Å
527E94.8Very high88.6Confident87 Ų8746.3 Ų46.341%0.40724%0.243SC..Hα-helixtrans-66-40175.1-72.4171.5-17800112.7T523 C524 N530 R531T523-E527 WeakPolarHBondContact CG2-OE1 3.22Å; T523-E527 WeakPolarHBondContact O-CG 3.36Å; T523-E527 PolarHBondContact O-N 3.14Å; C524-E527 PolarHBondContact O-N 2.91Å; E527-N530 PolarHBondContact O-N 2.96Å; E527-R531 WeakPolarHBondContact O-CG 3.41Å; E527-R531 PolarHBondContact O-N 3.38Å; E527-R531 PolarHBondContact O-NE 2.97Å
528A95.4Very high88.4Confident0 Ų049.3 Ų49.30%025%0.247CC..Hα-helixtrans-66.5-41.6175.900000111.7I447 R450 L451 C524 L525 R531 W532I447-A528 HydrophobicContact CG2-CB 4.13Å; R450-A528 HydrophobicContact CB-CB 4.02Å; L451-A528 HydrophobicContact CD2-CB 3.85Å; L451-A528 HydrophobicContact CG-CB 4.15Å; C524-A528 VanDerWaalsContact O-CB 3.29Å; C524-A528 WeakPolarHBondContact O-CB 3.29Å; C524-A528 PolarHBondContact O-N 2.91Å; L525-A528 PolarHBondContact O-N 2.74Å; A528-R531 PolarHBondContact O-N 2.63Å; A528-W532 WeakPolarHBondContact O-CB 3.31Å; A528-W532 PolarHBondContact O-N 3.42Å
529F94.1Very high87.5Confident1 Ų153 Ų530%0.00427%0.267CS..Hα-helixtrans-60.4-46.9172.7-173.3-73.5000111D363 I365 I447 L505 L525 T526 R531 W532 H533D363-F529 HydrophobicContact CB-CD1 3.93Å; D363-F529 HydrophobicContact CB-CD2 4.12Å; D363-F529 HydrophobicContact CB-CE1 3.89Å; D363-F529 HydrophobicContact CB-CE2 4.06Å; D363-F529 HydrophobicContact CB-CG 4.08Å; D363-F529 HydrophobicContact CB-CZ 3.95Å; I365-F529 HydrophobicContact CB-CZ 4.12Å; I365-F529 HydrophobicContact CG2-CZ 4.48Å; I447-F529 HydrophobicContact CD1-CD2 3.59Å; I447-F529 HydrophobicContact CD1-CE2 4.06Å; I447-F529 HydrophobicContact CD1-CG 4.39Å; L505-F529 HydrophobicContact CB-CD2 4.25Å; L505-F529 HydrophobicContact CB-CE2 4.33Å; L505-F529 HydrophobicContact CD2-CD2 3.97Å; L525-F529 VanDerWaalsContact O-CB 3.29Å; L525-F529 WeakPolarHBondContact O-CB 3.42Å; L525-F529 PolarHBondContact O-N 3.39Å; T526-F529 PolarHBondContact O-N 2.86Å; F529-R531 PolarHBondContact O-N 2.88Å; F529-W532 HydrophobicContact CE2-CZ3 4.35Å; F529-W532 HydrophobicContact CZ-CZ3 4.2Å; F529-W532 PolarHBondContact O-N 3.1Å; F529-H533 HydrophobicContact CD1-CB 4.49Å; F529-H533 HydrophobicContact CE1-CB 4.33Å; F529-H533 VanDerWaalsContact O-CB 3.31Å; F529-H533 WeakPolarHBondContact O-CB 3.5Å; F529-H533 PolarHBondContact O-N 3.16Å
530N92.2Very high85.9Confident52 Ų5253.1 Ų53.128%0.27825%0.253SS..Hα-helixtrans-57.6-49.4177.7-74.6-23.2000111.9R426 T526 E527 H533 Q534R426-N530 PolarHBondContact NH1-OD1 3.11Å; R426-N530 PolarHBondContact NH2-OD1 3.38Å; T526-N530 WeakPolarHBondContact O-CB 3.29Å; T526-N530 PolarHBondContact O-N 3.28Å; T526-N530 PolarHBondContact O-ND2 3.44Å; E527-N530 PolarHBondContact O-N 2.96Å; N530-H533 PolarHBondContact O-N 2.88Å; N530-Q534 WeakPolarHBondContact O-CG 3.38Å; N530-Q534 PolarHBondContact O-N 3.01Å
531R91.9Very high83.7Confident112 Ų11255 Ų5542%0.42327%0.267SS..Hα-helixtrans-62.4-46.9178.4-75.2-179.3-74.4159.9-1111.6R450 E527 A528 F529 H533 Q534 D535R450-R531 PolarHBondContact O-NH1 3.36Å; R450-R531 PolarHBondContact O-NH2 2.9Å; E527-R531 WeakPolarHBondContact O-CG 3.41Å; E527-R531 PolarHBondContact O-N 3.38Å; E527-R531 PolarHBondContact O-NE 2.97Å; A528-R531 PolarHBondContact O-N 2.63Å; F529-R531 PolarHBondContact O-N 2.88Å; R531-H533 VanDerWaalsContact C-N 3.28Å; R531-H533 PolarHBondContact O-N 3.28Å; R531-Q534 PolarHBondContact O-N 3.05Å; R531-D535 PolarHBondContact O-N 3Å
532W92.4Very high81.2Confident6 Ų657.9 Ų57.92%0.02330%0.298CS..Hα-helixtrans-56.1-44.7175171.773.6000112.1I365 F428 I443 I447 A528 F529 D535 M536I365-W532 HydrophobicContact CB-CZ3 4.49Å; I365-W532 HydrophobicContact CD1-CH2 3.89Å; I365-W532 HydrophobicContact CD1-CZ3 3.82Å; I365-W532 HydrophobicContact CG2-CH2 4.03Å; I365-W532 HydrophobicContact CG2-CZ3 4.09Å; F428-W532 AromaticContact CE1-CH2 3.62Å; F428-W532 HydrophobicContact CE1-CH2 3.62Å; F428-W532 AromaticContact CE1-CZ2 3.96Å; F428-W532 HydrophobicContact CE1-CZ2 3.96Å; F428-W532 AromaticContact CZ-CH2 3.96Å; F428-W532 HydrophobicContact CZ-CH2 3.96Å; I443-W532 HydrophobicContact CB-CH2 4.29Å; I443-W532 HydrophobicContact CB-CZ2 4.08Å; I443-W532 HydrophobicContact CD1-CH2 4.41Å; I443-W532 HydrophobicContact CG1-CH2 3.84Å; I443-W532 HydrophobicContact CG1-CZ2 3.68Å; I443-W532 HydrophobicContact CG2-CH2 3.75Å; I443-W532 HydrophobicContact CG2-CZ2 3.93Å; I443-W532 HydrophobicContact CG2-CZ3 4.17Å; I447-W532 HydrophobicContact CD1-CD2 4.18Å; I447-W532 HydrophobicContact CD1-CE3 3.95Å; I447-W532 HydrophobicContact CD1-CZ3 4.42Å; I447-W532 HydrophobicContact CG1-CB 3.83Å; I447-W532 HydrophobicContact CG1-CD2 3.75Å; I447-W532 HydrophobicContact CG1-CE3 3.96Å; I447-W532 HydrophobicContact CG1-CG 3.67Å; A528-W532 WeakPolarHBondContact O-CB 3.31Å; A528-W532 PolarHBondContact O-N 3.42Å; F529-W532 HydrophobicContact CE2-CZ3 4.35Å; F529-W532 HydrophobicContact CZ-CZ3 4.2Å; F529-W532 PolarHBondContact O-N 3.1Å; W532-D535 PolarHBondContact O-N 2.88Å; W532-M536 HydrophobicContact CD2-CG 4.36Å; W532-M536 HydrophobicContact CZ2-CG 3.94Å; W532-M536 VanDerWaalsContact O-CG 3.29Å; W532-M536 WeakPolarHBondContact O-CG 3.49Å; W532-M536 PolarHBondContact O-N 3.19Å; W532-M536 VanDerWaalsContact O-N 3.09Å
533H88.8Confident78.5Confident11 Ų1159.6 Ų59.65%0.05132%0.324CS..Hα-helixtrans-66.5-41-179.9-180-129.2000112.5I365 T427 F529 N530 R531 M536 I537I365-H533 VanDerWaalsContact CD1-CD2 3.42Å; I365-H533 WeakPolarHBondContact CD1-CD2 3.2Å; T427-H533 PolarHBondContact O-NE2 3.02Å; F529-H533 HydrophobicContact CD1-CB 4.49Å; F529-H533 HydrophobicContact CE1-CB 4.33Å; F529-H533 VanDerWaalsContact O-CB 3.31Å; F529-H533 WeakPolarHBondContact O-CB 3.5Å; F529-H533 PolarHBondContact O-N 3.16Å; N530-H533 PolarHBondContact O-N 2.88Å; R531-H533 VanDerWaalsContact C-N 3.28Å; R531-H533 PolarHBondContact O-N 3.28Å; H533-M536 PolarHBondContact O-N 3.35Å; H533-I537 VanDerWaalsContact CE1-CD1 3.46Å; H533-I537 WeakPolarHBondContact CE1-CD1 3.22Å; H533-I537 WeakPolarHBondContact NE2-CD1 3.27Å; H533-I537 WeakPolarHBondContact O-CG1 3.32Å; H533-I537 PolarHBondContact O-N 2.82Å
534Q86.9Confident75.6Confident93 Ų9366.2 Ų66.244%0.43535%0.351SS..Hα-helixtrans-62.6-46.6174.2-70.6-60.7-11.800111.4N530 R531 M536 I537 E538N530-Q534 WeakPolarHBondContact O-CG 3.38Å; N530-Q534 PolarHBondContact O-N 3.01Å; R531-Q534 PolarHBondContact O-N 3.05Å; Q534-M536 PolarHBondContact O-N 2.86Å; Q534-I537 CarbonylContact O-C 3.57Å; Q534-I537 WeakPolarHBondContact O-CA 3.12Å; Q534-I537 PolarHBondContact O-N 3.28Å; Q534-E538 WeakPolarHBondContact O-CG 3.32Å; Q534-E538 PolarHBondContact O-N 3.14Å
535D85.6Confident72.6Confident59 Ų5970.9 Ų70.932%0.31638%0.384SS..Hα-helixtrans-58.2-37.1177.6-60.2-16.8000111.5R450 R531 W532 I537 E538 D539R450-D535 IonicContact CZ-OD2 3.08Å; R450-D535 IonicContact NE-OD2 3.45Å; R450-D535 PolarHBondContact NE-OD2 3.47Å; R450-D535 IonicContact NH2-OD2 3.47Å; R450-D535 PolarHBondContact NH2-OD2 3.12Å; R531-D535 PolarHBondContact O-N 3Å; W532-D535 PolarHBondContact O-N 2.88Å; D535-I537 VanDerWaalsContact C-N 3.31Å; D535-I537 PolarHBondContact O-N 3.38Å; D535-E538 PolarHBondContact O-N 3.3Å; D535-D539 WeakPolarHBondContact O-CB 3.29Å; D535-D539 PolarHBondContact O-N 2.89Å
536M80.5Confident69.6Low52 Ų5282.5 Ų82.526%0.25645%0.446SS..Hα-helixtrans-69.8-24.6175.7-67.5-64.195.400113.9W532 H533 Q534W532-M536 HydrophobicContact CD2-CG 4.36Å; W532-M536 HydrophobicContact CZ2-CG 3.94Å; W532-M536 VanDerWaalsContact O-CG 3.29Å; W532-M536 WeakPolarHBondContact O-CG 3.49Å; W532-M536 PolarHBondContact O-N 3.19Å; W532-M536 VanDerWaalsContact O-N 3.09Å; H533-M536 PolarHBondContact O-N 3.35Å; Q534-M536 PolarHBondContact O-N 2.86Å
537I76.4Confident68.4Low51 Ų5184.6 Ų84.626%0.26246%0.455SS..Hα-helixtrans-83.8-40173.1-65.8169.3000110.1H533 Q534 D535 R540H533-I537 VanDerWaalsContact CE1-CD1 3.46Å; H533-I537 WeakPolarHBondContact CE1-CD1 3.22Å; H533-I537 WeakPolarHBondContact NE2-CD1 3.27Å; H533-I537 WeakPolarHBondContact O-CG1 3.32Å; H533-I537 PolarHBondContact O-N 2.82Å; Q534-I537 CarbonylContact O-C 3.57Å; Q534-I537 WeakPolarHBondContact O-CA 3.12Å; Q534-I537 PolarHBondContact O-N 3.28Å; D535-I537 VanDerWaalsContact C-N 3.31Å; D535-I537 PolarHBondContact O-N 3.38Å; I537-R540 WeakPolarHBondContact O-CB 3.41Å; I537-R540 WeakPolarHBondContact O-CD 3.24Å; I537-R540 WeakPolarHBondContact O-CG 3.41Å; I537-R540 PolarHBondContact O-N 2.71Å
538E67Low67Low120 Ų12084.5 Ų84.556%0.56146%0.458SS*.Hα-helixtrans-73.4-30.1-176.9-71.6179.1-176.300113.5Q534 D535 R540 H541Q534-E538 WeakPolarHBondContact O-CG 3.32Å; Q534-E538 PolarHBondContact O-N 3.14Å; D535-E538 PolarHBondContact O-N 3.3Å; E538-R540 PolarHBondContact O-N 3.23Å; E538-H541 PolarHBondContact O-N 2.93Å
539D59.6Low65.5Low115 Ų11589.2 Ų89.262%0.61548%0.483SS*.THydrogen-bonded Turntrans-56.3-6.8171.9-129.121.9000112.9D535D535-D539 WeakPolarHBondContact O-CB 3.29Å; D535-D539 PolarHBondContact O-N 2.89Å
540R51.5Low63.8Low94 Ų9494.4 Ų94.436%0.35551%0.512SS..THydrogen-bonded Turntrans-81.5-22174.3-60.7172.9172.3-118.3-22.5114.7F428 G429 V430 I537 E538F428-R540 VanDerWaalsContact O-CZ 3.25Å; F428-R540 PolarHBondContact O-NE 3.48Å; F428-R540 PolarHBondContact O-NH2 3.11Å; G429-R540 VanDerWaalsContact CA-CZ 3.46Å; G429-R540 PolarHBondContact O-NH2 3.22Å; V430-R540 PolarHBondContact O-NH1 3.1Å; V430-R540 PolarHBondContact O-NH2 2.88Å; I537-R540 WeakPolarHBondContact O-CB 3.41Å; I537-R540 WeakPolarHBondContact O-CD 3.24Å; I537-R540 WeakPolarHBondContact O-CG 3.41Å; I537-R540 PolarHBondContact O-N 2.71Å; E538-R540 PolarHBondContact O-N 3.23Å
541H43.3Very low62Low156 Ų15697 Ų9772%0.72253%0.526SS*.SBendtrans-109-1.7-170.7-69.1-60.4000114.1E538 G543E538-H541 PolarHBondContact O-N 2.93Å; H541-G543 PolarHBondContact O-N 2.84Å
542G37Very low60Low72 Ų7296 Ų9674%0.74253%0.533SS*.THydrogen-bonded Turntrans-89.526.7-175.400000116.7
543G36.2Very low57.7Low73 Ų73102.4 Ų102.475%0.75357%0.57SS**THydrogen-bonded Turntrans-120.7-2.6-178.500000116.1H541H541-G543 PolarHBondContact O-N 2.84Å
544E31.3Very low55.3Low195 Ų195109.5 Ų109.591%0.91161%0.61SS**  trans-133.873.2179.1-73.3-176.616700109.6
545S30.3Very low52.7Low99 Ų99110.8 Ų110.869%0.69262%0.624SS**  trans-158.371.3164.2630000109.7
546D33Very low49.7Very low244 Ų244115.5 Ų115.5100%1.30565%0.652SS**  trans174.80134.8-94.2-9.3000110.2

Retrieved 546 of 546 residues in 144.3 ms (Link to these results)

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