G4VGU2_SCHMA Loading...

Putative chloride intracellular channel

AlphaFold DB , UniProt , Accession G4VGU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 264 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
1M57.3Low84.7Confident145 Ų14551 Ų5171%0.71429%0.287SS*.  0132.50-85.316714700108
2A62.8Low85.7Confident59 Ų5946.8 Ų46.849%0.48826%0.263SS..  trans-58.5144.8166.300000108.2S4 D5A2-S4 PolarHBondContact O-N 2.79Å; A2-S4 VanDerWaalsContact O-N 3.08Å; A2-D5 PolarHBondContact O-N 3.07Å
3D68.8Low86.6Confident89 Ų8943.3 Ų43.348%0.47624%0.244SC..G310 helixtrans-61.3-23.2-174.5-166.161.7000112.5D5 K6 K46D3-D5 PolarHBondContact O-N 3.49Å; D3-K6 WeakPolarHBondContact OD1-CE 3.41Å; D3-K6 IonicContact OD1-NZ 3.03Å; D3-K6 PolarHBondContact OD1-NZ 3.33Å; D3-K46 WeakPolarHBondContact O-CE 3.06Å; D3-K46 PolarHBondContact O-NZ 2.94Å; D3-K46 VanDerWaalsContact OD2-CE 3.27Å; D3-K46 WeakPolarHBondContact OD2-CE 3.26Å; D3-K46 IonicContact OD2-NZ 2.83Å; D3-K46 PolarHBondContact OD2-NZ 2.96Å
4S70.2Confident87.2Confident90 Ų9047.7 Ų47.763%0.62926%0.259SS*.G310 helixtrans-61.6-26.5173.754.50000114.2A2A2-S4 PolarHBondContact O-N 2.79Å; A2-S4 VanDerWaalsContact O-N 3.08Å
5D88.3Confident87.8Confident71 Ų7145 Ų4538%0.3825%0.246SC..G310 helixtrans-98.6-9.9-167.7-60.2-9000113A2 D3 T79A2-D5 PolarHBondContact O-N 3.07Å; D3-D5 PolarHBondContact O-N 3.49Å; D5-T79 PolarHBondContact O-N 3.06Å; D5-T79 PolarHBondContact O-OG1 2.85Å
6K95.5Very high88.3Confident44 Ų4442.4 Ų42.419%0.19123%0.232CC..SBendtrans-64.1136.8-179.5-67.6180-171160.70110.2D3 F8 G43 K46D3-K6 WeakPolarHBondContact OD1-CE 3.41Å; D3-K6 IonicContact OD1-NZ 3.03Å; D3-K6 PolarHBondContact OD1-NZ 3.33Å; K6-F8 PolarHBondContact O-N 3.05Å; K6-G43 WeakPolarHBondContact CD-O 3.4Å; K6-G43 WeakPolarHBondContact CE-O 3.35Å; K6-K46 HydrophobicContact CB-CG 4.49Å
7P97.6Very high88.7Confident1 Ų144.9 Ų44.91%0.00625%0.245CC..  trans-53.2125.2172.1-25.634.4000111.1Y44 I45 K46 I75 S77 T79 I80 L103P7-Y44 WeakPolarHBondContact CD-O 3.07Å; P7-I45 HydrophobicContact CB-CG2 4.23Å; P7-I45 CarbonylContact O-C 3.58Å; P7-I45 WeakPolarHBondContact O-CA 3.37Å; P7-I45 WeakPolarHBondContact O-CB 3.41Å; P7-K46 PolarHBondContact O-N 2.67Å; P7-I75 HydrophobicContact CB-CD1 4.22Å; P7-I75 HydrophobicContact CB-CG2 4.06Å; P7-S77 CarbonylContact C-O 3.27Å; P7-S77 WeakPolarHBondContact CA-O 3.33Å; P7-T79 VanDerWaalsContact CD-O 3.31Å; P7-T79 WeakPolarHBondContact CD-O 3.49Å; P7-T79 VanDerWaalsContact CG-O 3.27Å; P7-T79 WeakPolarHBondContact CG-O 3.11Å; P7-I80 HydrophobicContact CB-CG1 4.47Å; P7-I80 HydrophobicContact CG-CD1 4.16Å; P7-I80 HydrophobicContact CG-CG1 3.49Å; P7-I80 VanDerWaalsContact CG-CG1 3.49Å; P7-L103 HydrophobicContact CG-CD2 4.3Å
8F97.6Very high89Confident58 Ų5845.2 Ų45.225%0.25425%0.251SS..EExtended strand (participates in β ladder)trans-95.4101.8172.2-176.8-158.1000109.1K6 K46 Q48 I75 K76 S77K6-F8 PolarHBondContact O-N 3.05Å; F8-K46 HydrophobicContact CB-CB 4.4Å; F8-K46 HydrophobicContact CD2-CB 3.71Å; F8-K46 HydrophobicContact CE2-CB 4.41Å; F8-K46 HydrophobicContact CG-CB 4.35Å; F8-Q48 HydrophobicContact CE2-CB 3.69Å; F8-Q48 HydrophobicContact CZ-CB 3.87Å; F8-I75 CarbonylContact O-C 3.56Å; F8-K76 HydrophobicContact CD1-CB 4.13Å; F8-K76 HydrophobicContact CD1-CD 4.11Å; F8-K76 HydrophobicContact CE1-CD 3.99Å; F8-K76 HydrophobicContact CG-CB 4.5Å; F8-K76 HydrophobicContact CZ-CD 4.42Å; F8-K76 PolarHBondContact O-N 2.99Å; F8-S77 PolarHBondContact N-O 3.21Å
9V97.8Very high89.3Confident0 Ų046 Ų460%025%0.254CS..EExtended strand (participates in β ladder)trans-90.2132.3-178-175.50000109.4L36 I45 K46 L47 Q48 W74 I75V9-L36 HydrophobicContact CG1-CD1 4.1Å; V9-I45 HydrophobicContact CB-CD1 4.3Å; V9-I45 HydrophobicContact CG2-CB 4.2Å; V9-I45 HydrophobicContact CG2-CD1 3.91Å; V9-I45 HydrophobicContact CG2-CG2 4.23Å; V9-K46 PolarHBondContact N-O 3.07Å; V9-L47 HydrophobicContact CB-CD1 4.22Å; V9-L47 HydrophobicContact CG1-CD1 4.25Å; V9-L47 CarbonylContact O-C 3.33Å; V9-L47 WeakPolarHBondContact O-CA 3.42Å; V9-Q48 PolarHBondContact O-N 3.13Å; V9-W74 WeakPolarHBondContact CA-O 3.44Å; V9-I75 HydrophobicContact CG2-CG1 4.25Å
10E97.7Very high89.4Confident4 Ų450.8 Ų50.82%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-108124.9163.5175.4177.1-157.500109.5F12 Q48 T50 S73 W74 K76E10-F12 VanDerWaalsContact CD-CZ 3.44Å; E10-F12 HydrophobicContact CG-CE1 4.31Å; E10-F12 HydrophobicContact CG-CE2 4.05Å; E10-F12 HydrophobicContact CG-CZ 3.85Å; E10-Q48 CarbonylContact C-O 3.51Å; E10-Q48 VanDerWaalsContact CA-O 3.3Å; E10-Q48 WeakPolarHBondContact CA-O 3.41Å; E10-Q48 HydrophobicContact CB-CB 4.25Å; E10-Q48 HydrophobicContact CG-CB 4.36Å; E10-Q48 HydrophobicContact CG-CG 4.31Å; E10-Q48 PolarHBondContact OE1-NE2 2.9Å; E10-Q48 VanDerWaalsContact OE1-NE2 3.07Å; E10-T50 PolarHBondContact OE1-OG1 3.33Å; E10-S73 CarbonylContact O-C 3.54Å; E10-S73 WeakPolarHBondContact O-CA 3.34Å; E10-S73 WeakPolarHBondContact O-CB 3.08Å; E10-W74 PolarHBondContact N-O 2.93Å; E10-W74 PolarHBondContact O-N 2.87Å; E10-W74 PolarHBondContact OE2-NE1 2.83Å; E10-W74 VanDerWaalsContact OE2-NE1 3.1Å; E10-K76 HydrophobicContact CB-CD 3.68Å; E10-K76 HydrophobicContact CB-CG 4.14Å; E10-K76 IonicContact OE2-NZ 2.63Å
11L97.9Very high89.6Confident0 Ų056.9 Ų56.90%029%0.293CS..EExtended strand (participates in β ladder)trans-105.9123.2177.8175.871.6000109.9V13 W32 L33 L36 L47 Q48 T50 P71L11-V13 HydrophobicContact CD1-CG1 4.4Å; L11-V13 HydrophobicContact CD2-CG1 3.54Å; L11-V13 HydrophobicContact CG-CG1 3.72Å; L11-W32 HydrophobicContact CD1-CB 4.36Å; L11-W32 HydrophobicContact CD1-CE3 3.82Å; L11-L33 HydrophobicContact CD2-CB 3.77Å; L11-L33 HydrophobicContact CD2-CD1 4.04Å; L11-L33 HydrophobicContact CD2-CG 4.43Å; L11-L36 HydrophobicContact CB-CD1 3.99Å; L11-L36 HydrophobicContact CD1-CD1 4.16Å; L11-L36 HydrophobicContact CD2-CD1 4.1Å; L11-L36 HydrophobicContact CG-CD1 4.29Å; L11-L47 HydrophobicContact CB-CD1 4.12Å; L11-Q48 PolarHBondContact N-O 2.75Å; L11-T50 PolarHBondContact O-N 3.19Å; L11-P71 HydrophobicContact CD1-CB 4.03Å
12F97Very high91.4Very high0 Ų052.9 Ų52.90%027%0.272CS..EExtended strand (participates in β ladder)trans-92.7125.8168.6-57.4-84.3000109.7E10 T50 M52 P58 S60 Y61 L64 L70 P71 I72 W74E10-F12 VanDerWaalsContact CD-CZ 3.44Å; E10-F12 HydrophobicContact CG-CE1 4.31Å; E10-F12 HydrophobicContact CG-CE2 4.05Å; E10-F12 HydrophobicContact CG-CZ 3.85Å; F12-T50 WeakPolarHBondContact CA-O 3.4Å; F12-T50 HydrophobicContact CD1-CG2 3.86Å; F12-T50 HydrophobicContact CE1-CG2 3.87Å; F12-M52 HydrophobicContact CB-CG 4.47Å; F12-M52 HydrophobicContact CB-SD 3.97Å; F12-M52 HydrophobicContact CD1-SD 3.74Å; F12-M52 HydrophobicContact CG-SD 4.15Å; F12-P58 HydrophobicContact CD1-CG 4.45Å; F12-P58 HydrophobicContact CE1-CB 4.23Å; F12-P58 HydrophobicContact CE1-CG 4.17Å; F12-S60 WeakPolarHBondContact CZ-OG 3.36Å; F12-Y61 HydrophobicContact CB-CD2 4.05Å; F12-Y61 HydrophobicContact CB-CE2 4.44Å; F12-Y61 HydrophobicContact CD1-CD2 4.09Å; F12-Y61 HydrophobicContact CD2-CD2 4.05Å; F12-Y61 AromaticContact CG-CD2 3.78Å; F12-Y61 HydrophobicContact CG-CD2 3.78Å; F12-L64 HydrophobicContact CD2-CD1 4.2Å; F12-L64 HydrophobicContact CE2-CD1 3.74Å; F12-L70 HydrophobicContact CB-CD2 3.72Å; F12-P71 VanDerWaalsContact O-CA 3.31Å; F12-P71 WeakPolarHBondContact O-CA 3.48Å; F12-I72 HydrophobicContact CB-CG2 3.99Å; F12-I72 HydrophobicContact CD2-CG2 3.98Å; F12-I72 HydrophobicContact CG-CG2 4.37Å; F12-I72 PolarHBondContact N-O 3.44Å; F12-I72 PolarHBondContact O-N 3.19Å; F12-W74 AromaticContact CE2-CD1 3.91Å
13V96.7Very high93Very high2 Ų252.5 Ų52.51%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-123.8156.6177-62.30000110.4L11 A15 K23 V49 T50 P51 M52L11-V13 HydrophobicContact CD1-CG1 4.4Å; L11-V13 HydrophobicContact CD2-CG1 3.54Å; L11-V13 HydrophobicContact CG-CG1 3.72Å; V13-A15 PolarHBondContact O-N 2.93Å; V13-K23 HydrophobicContact CG2-CB 4.08Å; V13-V49 HydrophobicContact CG2-CG1 4.05Å; V13-T50 PolarHBondContact N-O 3.35Å; V13-P51 HydrophobicContact CG2-CB 4.2Å; V13-P51 HydrophobicContact CG2-CG 4.12Å; V13-P51 WeakPolarHBondContact O-CA 3.23Å; V13-M52 PolarHBondContact O-N 2.92Å
14K95Very high94.3Very high105 Ų10548.7 Ų48.746%0.45724%0.241SC..EExtended strand (participates in β ladder)trans-62.6127.3171.3-170.5171.9-176.51750108.9G24 L70K14-G24 WeakPolarHBondContact O-CA 3.45Å; K14-G24 PolarHBondContact O-N 3.28Å; K14-L70 HydrophobicContact CB-CD1 4.16Å
15A96.3Very high95.6Very high7 Ų744.6 Ų44.66%0.05821%0.213CC..BIsolated β-bridgetrans-67158177.300000112.5V13 R20 E22 P51 M52 T53V13-A15 PolarHBondContact O-N 2.93Å; A15-R20 WeakPolarHBondContact CB-O 3.28Å; A15-E22 CarbonylContact C-O 3Å; A15-E22 VanDerWaalsContact CA-O 3.3Å; A15-E22 WeakPolarHBondContact CA-O 3.31Å; A15-P51 HydrophobicContact CB-CB 4.1Å; A15-M52 WeakPolarHBondContact CB-O 3.49Å; A15-M52 PolarHBondContact N-O 3.28Å; A15-T53 HydrophobicContact CB-CG2 3.81Å
16A96.4Very high96Very high4 Ų442.6 Ų42.63%0.03320%0.204CC..PPolyproline II helixtrans-65.6154.1174.200000110.9D19 E22 D222A16-D19 WeakPolarHBondContact CB-O 3.33Å; A16-E22 HydrophobicContact CB-CB 3.83Å; A16-E22 PolarHBondContact N-O 2.69Å; A16-D222 HydrophobicContact CB-CB 4.31Å; A16-D222 WeakPolarHBondContact CB-OD1 3.5Å
17L94.2Very high96.1Very high84 Ų8442 Ų4244%0.4420%0.203SC..SBendtrans-80.1-26.8-179.1-67.8169.4000111.2D222 M225 L229L17-D222 PolarHBondContact N-OD1 3.48Å; L17-M225 HydrophobicContact CB-CB 4.12Å; L17-M225 HydrophobicContact CB-CE 3.68Å; L17-M225 HydrophobicContact CB-SD 4.1Å; L17-M225 HydrophobicContact CD1-CB 3.63Å; L17-L229 HydrophobicContact CD1-CD1 3.67Å; L17-L229 HydrophobicContact CD1-CG 4.15Å; L17-L229 HydrophobicContact CD2-CD1 4.22Å
18S94.8Very high96.1Very high51 Ų5144.5 Ų44.536%0.35722%0.216SC..SBendtrans-82.4-41.4177.961.70000113.3R221 D222S18-R221 PolarHBondContact OG-NE 3.45Å; S18-D222 WeakPolarHBondContact CB-OD1 3.31Å; S18-D222 PolarHBondContact N-OD1 2.91Å; S18-D222 PolarHBondContact OG-OD1 3.33Å; S18-D222 PolarHBondContact OG-OD2 2.92Å
19D94.1Very high96.1Very high60 Ų6042 Ų4232%0.32121%0.205SC..  trans-137.8120.1177.4-172-15.5000110.9A16 K21 E22A16-D19 WeakPolarHBondContact CB-O 3.33Å; D19-K21 PolarHBondContact O-N 2.89Å; D19-K21 VanDerWaalsContact O-N 3.12Å; D19-K21 WeakPolarHBondContact OD1-CB 3.13Å; D19-K21 PolarHBondContact OD1-N 3.12Å; D19-E22 HydrophobicContact CB-CB 4.31Å; D19-E22 HydrophobicContact CB-CG 3.99Å; D19-E22 PolarHBondContact O-N 2.62Å
20R92.7Very high96.2Very high142 Ų14242.1 Ų42.154%0.53621%0.206SC..THydrogen-bonded Turntrans-67.3-12.2-178.8-61.5-175.5-177.1-160.4-3.4113.7A15 T53 D55A15-R20 WeakPolarHBondContact CB-O 3.28Å; R20-T53 HydrophobicContact CB-CG2 4.49Å; R20-T53 HydrophobicContact CG-CG2 4.1Å; R20-D55 IonicContact CZ-OD2 3.47Å; R20-D55 IonicContact NH1-OD1 3.12Å; R20-D55 IonicContact NH1-OD2 3.85Å; R20-D55 PolarHBondContact NH1-OD2 3.19Å; R20-D55 IonicContact NH2-OD2 2.88Å; R20-D55 PolarHBondContact NH2-OD2 3.42Å
21K92.8Very high96.2Very high178 Ų17843 Ų4377%0.77421%0.21SC*.THydrogen-bonded Turntrans-87.2-12.7174.6-60.5176.7-177.7175.90112.8D19 P51D19-K21 PolarHBondContact O-N 2.89Å; D19-K21 VanDerWaalsContact O-N 3.12Å; D19-K21 WeakPolarHBondContact OD1-CB 3.13Å; D19-K21 PolarHBondContact OD1-N 3.12Å; K21-P51 WeakPolarHBondContact O-CG 3.18Å
22E95Very high96.2Very high61 Ų6143.2 Ų43.229%0.28521%0.211SC..SBendtrans-98.8156.2-179.5-65.9-174.7160.700111.2A15 A16 D19 P51 R221A15-E22 CarbonylContact C-O 3Å; A15-E22 VanDerWaalsContact CA-O 3.3Å; A15-E22 WeakPolarHBondContact CA-O 3.31Å; A16-E22 HydrophobicContact CB-CB 3.83Å; A16-E22 PolarHBondContact N-O 2.69Å; D19-E22 HydrophobicContact CB-CB 4.31Å; D19-E22 HydrophobicContact CB-CG 3.99Å; D19-E22 PolarHBondContact O-N 2.62Å; E22-P51 VanDerWaalsContact O-CB 3.26Å; E22-P51 WeakPolarHBondContact O-CB 3.29Å; E22-R221 IonicContact OE1-NH2 2.83Å; E22-R221 IonicContact OE2-NH2 2.87Å; E22-R221 PolarHBondContact OE2-NH2 3.28Å
23K96Very high96.3Very high52 Ų5243.4 Ų43.423%0.22621%0.212CC..BIsolated β-bridgetrans-71.2134.4173.860.7-171.5-175-920111.1V13 L33 D215 S216 C217V13-K23 HydrophobicContact CG2-CB 4.08Å; K23-L33 HydrophobicContact CD-CD2 3.59Å; K23-D215 WeakPolarHBondContact CD-O 3.13Å; K23-D215 WeakPolarHBondContact CE-O 3.31Å; K23-D215 PolarHBondContact NZ-O 3.24Å; K23-S216 WeakPolarHBondContact CD-O 3.2Å; K23-S216 WeakPolarHBondContact CE-O 3.35Å; K23-C217 WeakPolarHBondContact CE-O 3.48Å; K23-C217 PolarHBondContact NZ-O 3.47Å
24G96.6Very high96.4Very high9 Ų943.3 Ų43.39%0.09321%0.211CC..PPolyproline II helixtrans-86.5172.9179.100000114K14 C26K14-G24 WeakPolarHBondContact O-CA 3.45Å; K14-G24 PolarHBondContact O-N 3.28Å; G24-C26 PolarHBondContact O-N 3.01Å
25A97.9Very high96.6Very high4 Ų438.3 Ų38.33%0.03319%0.19CC..  trans-85.640.8-175.100000114.8H180 P218 I223 H226A25-H180 PolarHBondContact O-CE1 2.95Å; A25-H180 VanDerWaalsContact O-CE1 3.28Å; A25-P218 HydrophobicContact CB-CB 4.18Å; A25-P218 HydrophobicContact CB-CG 3.89Å; A25-I223 HydrophobicContact CB-CB 4.22Å; A25-I223 HydrophobicContact CB-CG1 3.79Å; A25-H226 HydrophobicContact CB-CB 3.88Å
26C97.2Very high96.7Very high29 Ų2938 Ų3820%0.19619%0.187CC..  trans-82.9117.2172.9177.80000109.7G24 I28 S29 Q30G24-C26 PolarHBondContact O-N 3.01Å; C26-I28 PolarHBondContact O-N 3.14Å; C26-I28 WeakPolarHBondContact SG-CG2 3.37Å; C26-S29 WeakPolarHBondContact CB-OG 3.35Å; C26-S29 WeakPolarHBondContact O-CB 3.24Å; C26-S29 PolarHBondContact O-N 3.01Å; C26-S29 PolarHBondContact SG-OG 3.4Å; C26-Q30 PolarHBondContact O-N 3.4Å
27L97.9Very high96.8Very high32 Ų3238.6 Ų38.617%0.16819%0.191CC..Hα-helixtrans-53.9-48-177.1-73.9172.1000113S29 Q30 Q31 Y128 P176 K177 H180L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.25Å; L27-Q30 PolarHBondContact O-N 3.27Å; L27-Q31 PolarHBondContact O-N 2.86Å; L27-Y128 HydrophobicContact CD1-CD2 3.34Å; L27-Y128 HydrophobicContact CD1-CE2 3.83Å; L27-Y128 HydrophobicContact CD1-CG 3.9Å; L27-P176 HydrophobicContact CD2-CB 3.69Å; L27-K177 HydrophobicContact CD1-CG 4.41Å; L27-K177 HydrophobicContact CD2-CG 4.42Å; L27-H180 HydrophobicContact CD2-CB 4.37Å
28I97.2Very high97Very high53 Ų5334.7 Ų34.727%0.27217%0.17SC..Hα-helixtrans-67.6-33179.7-172.363.2000111.8C26 Q31 W32 P71C26-I28 PolarHBondContact O-N 3.14Å; C26-I28 WeakPolarHBondContact SG-CG2 3.37Å; I28-Q31 VanDerWaalsContact CD1-OE1 3.27Å; I28-Q31 PolarHBondContact O-N 3.11Å; I28-W32 PolarHBondContact O-N 3.48Å; I28-P71 HydrophobicContact CG1-CG 4.23Å; I28-P71 HydrophobicContact CG2-CG 4.45Å
29S97.6Very high97.1Very high4 Ų432.3 Ų32.33%0.02815%0.153CC..Hα-helixtrans-66.5-42.4173-61.50000111.8C26 L27 W32 L33C26-S29 WeakPolarHBondContact CB-OG 3.35Å; C26-S29 WeakPolarHBondContact O-CB 3.24Å; C26-S29 PolarHBondContact O-N 3.01Å; C26-S29 PolarHBondContact SG-OG 3.4Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.25Å; S29-W32 PolarHBondContact O-N 3.23Å; S29-L33 WeakPolarHBondContact O-CB 3.38Å; S29-L33 PolarHBondContact O-N 3.1Å
30Q98.4Very high97.3Very high3 Ų332.4 Ų32.41%0.01416%0.156CC..Hα-helixtrans-64.9-42.1175.8-175.8177.7-1.400111.2C26 L27 W32 L33 M34 P176 S216C26-Q30 PolarHBondContact O-N 3.4Å; L27-Q30 PolarHBondContact O-N 3.27Å; Q30-W32 VanDerWaalsContact C-N 3.35Å; Q30-W32 PolarHBondContact O-N 3.47Å; Q30-L33 PolarHBondContact O-N 2.67Å; Q30-M34 VanDerWaalsContact O-CB 3.26Å; Q30-M34 WeakPolarHBondContact O-CB 3.36Å; Q30-M34 PolarHBondContact O-N 3.41Å; Q30-P176 HydrophobicContact CB-CB 4.27Å; Q30-P176 HydrophobicContact CB-CG 4.18Å; Q30-P176 HydrophobicContact CG-CB 4.1Å; Q30-P176 HydrophobicContact CG-CG 3.74Å; Q30-S216 WeakPolarHBondContact CG-O 3.38Å
31Q98.4Very high97.5Very high23 Ų2330.4 Ų30.411%0.10715%0.153CC..Hα-helixtrans-56.1-49.4175.1173-172.6-17.200111.4L27 I28 T35 Y169 C172 Q173L27-Q31 PolarHBondContact O-N 2.86Å; I28-Q31 VanDerWaalsContact CD1-OE1 3.27Å; I28-Q31 PolarHBondContact O-N 3.11Å; Q31-T35 WeakPolarHBondContact O-CB 3.35Å; Q31-T35 PolarHBondContact O-N 2.86Å; Q31-T35 PolarHBondContact O-OG1 2.63Å; Q31-Y169 VanDerWaalsContact NE2-CZ 3.29Å; Q31-Y169 PolarHBondContact NE2-OH 2.83Å; Q31-C172 VanDerWaalsContact CA-O 3.29Å; Q31-C172 WeakPolarHBondContact CA-O 3.47Å; Q31-C172 WeakPolarHBondContact CB-O 3.47Å; Q31-C172 HydrophobicContact CG-CB 4.4Å; Q31-Q173 VanDerWaalsContact CD-CG 3.45Å; Q31-Q173 HydrophobicContact CG-CG 4.03Å; Q31-Q173 VanDerWaalsContact NE2-CG 3.34Å
32W98.5Very high97.6Very high4 Ų425.6 Ų25.62%0.01513%0.132CC..Hα-helixtrans-62.4-47.8178.1-78.640.8000111.5L11 I28 S29 Q30 M34 T35 L36 P71 I90 S92 L96L11-W32 HydrophobicContact CD1-CB 4.36Å; L11-W32 HydrophobicContact CD1-CE3 3.82Å; I28-W32 PolarHBondContact O-N 3.48Å; S29-W32 PolarHBondContact O-N 3.23Å; Q30-W32 VanDerWaalsContact C-N 3.35Å; Q30-W32 PolarHBondContact O-N 3.47Å; W32-M34 PolarHBondContact O-N 2.96Å; W32-T35 WeakPolarHBondContact O-CB 3Å; W32-T35 PolarHBondContact O-N 3.31Å; W32-L36 WeakPolarHBondContact O-CG 3.49Å; W32-L36 PolarHBondContact O-N 3.49Å; W32-P71 HydrophobicContact CB-CB 4.41Å; W32-P71 HydrophobicContact CB-CG 4.27Å; W32-P71 HydrophobicContact CD2-CB 3.95Å; W32-P71 HydrophobicContact CD2-CG 3.49Å; W32-P71 VanDerWaalsContact CD2-CG 3.49Å; W32-P71 HydrophobicContact CE3-CB 3.85Å; W32-P71 HydrophobicContact CE3-CG 3.88Å; W32-P71 HydrophobicContact CG-CB 4.23Å; W32-P71 HydrophobicContact CG-CG 3.69Å; W32-P71 HydrophobicContact CH2-CG 4.49Å; W32-P71 HydrophobicContact CZ2-CG 4.17Å; W32-P71 HydrophobicContact CZ3-CB 4.36Å; W32-P71 HydrophobicContact CZ3-CG 4.36Å; W32-I90 HydrophobicContact CH2-CG2 3.91Å; W32-I90 HydrophobicContact CZ3-CB 4.49Å; W32-I90 HydrophobicContact CZ3-CG2 3.74Å; W32-I90 WeakPolarHBondContact CZ3-O 3.36Å; W32-S92 WeakPolarHBondContact CZ2-O 3.29Å; W32-L96 HydrophobicContact CB-CD2 4.3Å; W32-L96 HydrophobicContact CD2-CD2 3.83Å; W32-L96 HydrophobicContact CE3-CD2 4.46Å; W32-L96 HydrophobicContact CG-CD2 3.71Å
33L98.6Very high97.6Very high5 Ų524.2 Ų24.23%0.02613%0.134CC..Hα-helixtrans-61.2-46.1179.9178.551.2000111.7L11 K23 S29 Q30 T35 L36 C37 L47 V49L11-L33 HydrophobicContact CD2-CB 3.77Å; L11-L33 HydrophobicContact CD2-CD1 4.04Å; L11-L33 HydrophobicContact CD2-CG 4.43Å; K23-L33 HydrophobicContact CD-CD2 3.59Å; S29-L33 WeakPolarHBondContact O-CB 3.38Å; S29-L33 PolarHBondContact O-N 3.1Å; Q30-L33 PolarHBondContact O-N 2.67Å; L33-T35 VanDerWaalsContact C-N 3.31Å; L33-T35 PolarHBondContact O-N 3.3Å; L33-L36 PolarHBondContact O-N 3.34Å; L33-C37 WeakPolarHBondContact O-CB 3.48Å; L33-C37 PolarHBondContact O-N 3.23Å; L33-C37 PolarHBondContact O-SG 3.41Å; L33-L47 HydrophobicContact CD1-CD2 3.87Å; L33-V49 HydrophobicContact CD1-CG1 4.31Å; L33-V49 HydrophobicContact CD1-CG2 3.43Å; L33-V49 VanDerWaalsContact CD1-CG2 3.43Å; L33-V49 HydrophobicContact CD2-CG1 4.29Å
34M98.7Very high97.6Very high0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-60.1-43.4176.4-169167.8166.100111.2Q30 W32 C37 C38 I167 C172 A175 I207 F213 S216Q30-M34 VanDerWaalsContact O-CB 3.26Å; Q30-M34 WeakPolarHBondContact O-CB 3.36Å; Q30-M34 PolarHBondContact O-N 3.41Å; W32-M34 PolarHBondContact O-N 2.96Å; M34-C37 PolarHBondContact O-N 2.91Å; M34-C38 PolarHBondContact O-N 3.27Å; M34-C38 PolarHBondContact O-SG 3.12Å; M34-I167 HydrophobicContact CE-CD1 3.4Å; M34-I167 VanDerWaalsContact CE-CD1 3.4Å; M34-C172 HydrophobicContact CB-CB 4.29Å; M34-C172 HydrophobicContact CG-CB 4.31Å; M34-C172 HydrophobicContact SD-CB 4.48Å; M34-A175 HydrophobicContact CE-CB 4.2Å; M34-A175 HydrophobicContact SD-CB 4.35Å; M34-I207 HydrophobicContact CE-CD1 4.41Å; M34-F213 HydrophobicContact CE-CB 4.05Å; M34-F213 HydrophobicContact CE-CD2 4.17Å; M34-F213 HydrophobicContact SD-CB 4.34Å; M34-F213 HydrophobicContact SD-CD2 3.91Å; M34-S216 WeakPolarHBondContact CB-OG 3.33Å
35T98.8Very high97.7Very high0 Ų024.2 Ų24.20%013%0.13CC..Hα-helixtrans-59.9-48.3176.4-57.50000111.6Q31 W32 L33 C38 L39 L96 L100 L108 Y169 C172Q31-T35 WeakPolarHBondContact O-CB 3.35Å; Q31-T35 PolarHBondContact O-N 2.86Å; Q31-T35 PolarHBondContact O-OG1 2.63Å; W32-T35 WeakPolarHBondContact O-CB 3Å; W32-T35 PolarHBondContact O-N 3.31Å; L33-T35 VanDerWaalsContact C-N 3.31Å; L33-T35 PolarHBondContact O-N 3.3Å; T35-C38 WeakPolarHBondContact O-CB 3.49Å; T35-C38 PolarHBondContact O-N 3.31Å; T35-L39 PolarHBondContact O-N 3.2Å; T35-L39 VanDerWaalsContact O-N 3.15Å; T35-L96 HydrophobicContact CG2-CD2 4.31Å; T35-L100 HydrophobicContact CG2-CD1 4.13Å; T35-L100 HydrophobicContact CG2-CD2 4.01Å; T35-L108 HydrophobicContact CG2-CD1 4.25Å; T35-L108 HydrophobicContact CG2-CD2 4.11Å; T35-L108 HydrophobicContact CG2-CG 4.33Å; T35-Y169 HydrophobicContact CG2-CD2 3.95Å; T35-Y169 HydrophobicContact CG2-CE2 4.17Å; T35-C172 WeakPolarHBondContact OG1-CB 3.5Å
36L98.6Very high97.7Very high0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-68.2-36179.3-64.9177.8000111.8V9 L11 W32 L33 L39 V40 I45 L47 L96 L99V9-L36 HydrophobicContact CG1-CD1 4.1Å; L11-L36 HydrophobicContact CB-CD1 3.99Å; L11-L36 HydrophobicContact CD1-CD1 4.16Å; L11-L36 HydrophobicContact CD2-CD1 4.1Å; L11-L36 HydrophobicContact CG-CD1 4.29Å; W32-L36 WeakPolarHBondContact O-CG 3.49Å; W32-L36 PolarHBondContact O-N 3.49Å; L33-L36 PolarHBondContact O-N 3.34Å; L36-L39 HydrophobicContact CD2-CD1 4.03Å; L36-L39 WeakPolarHBondContact O-CB 3.19Å; L36-L39 PolarHBondContact O-N 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 3.06Å; L36-I45 HydrophobicContact CB-CD1 4.1Å; L36-I45 HydrophobicContact CD2-CD1 3.77Å; L36-I45 HydrophobicContact CG-CD1 4.49Å; L36-L47 HydrophobicContact CB-CD1 3.99Å; L36-L47 HydrophobicContact CB-CD2 3.74Å; L36-L47 HydrophobicContact CB-CG 4.48Å; L36-L47 HydrophobicContact CD1-CD1 3.76Å; L36-L47 HydrophobicContact CG-CD1 4.48Å; L36-L96 HydrophobicContact CD2-CD1 3.95Å; L36-L99 HydrophobicContact CD2-CD2 4.48Å
37C98.5Very high97.7Very high17 Ų1727.8 Ų27.812%0.11514%0.144CC..Hα-helixtrans-61-43.2172-72.20000111.6L33 M34 L39 V40 E41L33-C37 WeakPolarHBondContact O-CB 3.48Å; L33-C37 PolarHBondContact O-N 3.23Å; L33-C37 PolarHBondContact O-SG 3.41Å; M34-C37 PolarHBondContact O-N 2.91Å; C37-L39 VanDerWaalsContact C-N 3.26Å; C37-L39 PolarHBondContact O-N 3.34Å; C37-V40 WeakPolarHBondContact O-CB 3.39Å; C37-V40 PolarHBondContact O-N 3.21Å; C37-V40 VanDerWaalsContact O-N 3.1Å; C37-E41 WeakPolarHBondContact O-CG 3.46Å; C37-E41 PolarHBondContact O-N 3.13Å
38C98.3Very high97.7Very high2 Ų229.3 Ų29.31%0.01415%0.15CC..Hα-helixtrans-59.2-37.3174.2-690000112.2M34 T35 E41 K42 L108 I167 S212M34-C38 PolarHBondContact O-N 3.27Å; M34-C38 PolarHBondContact O-SG 3.12Å; T35-C38 WeakPolarHBondContact O-CB 3.49Å; T35-C38 PolarHBondContact O-N 3.31Å; C38-E41 PolarHBondContact O-N 2.96Å; C38-K42 WeakPolarHBondContact O-CB 3.25Å; C38-K42 WeakPolarHBondContact O-CG 3.42Å; C38-K42 PolarHBondContact O-N 3.39Å; C38-L108 HydrophobicContact CB-CD1 3.72Å; C38-L108 HydrophobicContact CB-CD2 4.04Å; C38-L108 HydrophobicContact CB-CG 4.49Å; C38-I167 VanDerWaalsContact SG-CD1 3.6Å; C38-S212 VanDerWaalsContact SG-CB 3.56Å; C38-S212 PolarHBondContact SG-OG 3.29Å
39L97.9Very high97.7Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-68.4-36.3174.8-67.5176.3000112.6T35 L36 C37 K42 G43 Y44 I45 L100 L103 C105 L108T35-L39 PolarHBondContact O-N 3.2Å; T35-L39 VanDerWaalsContact O-N 3.15Å; L36-L39 HydrophobicContact CD2-CD1 4.03Å; L36-L39 WeakPolarHBondContact O-CB 3.19Å; L36-L39 PolarHBondContact O-N 3.27Å; C37-L39 VanDerWaalsContact C-N 3.26Å; C37-L39 PolarHBondContact O-N 3.34Å; L39-K42 PolarHBondContact O-N 3Å; L39-G43 PolarHBondContact O-N 3.13Å; L39-G43 VanDerWaalsContact O-N 3.1Å; L39-Y44 HydrophobicContact CD2-CD2 4.04Å; L39-Y44 HydrophobicContact CD2-CG 4.34Å; L39-Y44 PolarHBondContact O-N 2.91Å; L39-I45 HydrophobicContact CB-CD1 3.81Å; L39-I45 HydrophobicContact CB-CG1 3.77Å; L39-I45 HydrophobicContact CD1-CD1 4.02Å; L39-L100 HydrophobicContact CD1-CD2 3.74Å; L39-L100 HydrophobicContact CD2-CD2 3.82Å; L39-L100 HydrophobicContact CG-CD2 4.07Å; L39-L103 HydrophobicContact CD1-CD1 3.82Å; L39-L103 HydrophobicContact CD2-CD1 4.35Å; L39-C105 HydrophobicContact CD2-CB 4.44Å; L39-L108 HydrophobicContact CD2-CD2 3.72Å; L39-L108 HydrophobicContact CG-CD2 3.96Å
40V97.6Very high97.7Very high62 Ų6230.2 Ų30.238%0.37616%0.158SC..Hα-helixtrans-62.2-49.1172.9172.90000110.2L36 C37 K42 G43 I45 L47L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 3.06Å; C37-V40 WeakPolarHBondContact O-CB 3.39Å; C37-V40 PolarHBondContact O-N 3.21Å; C37-V40 VanDerWaalsContact O-N 3.1Å; V40-K42 VanDerWaalsContact C-N 3.29Å; V40-K42 PolarHBondContact O-N 2.96Å; V40-G43 WeakPolarHBondContact O-CA 3.46Å; V40-G43 PolarHBondContact O-N 2.94Å; V40-I45 HydrophobicContact CG2-CD1 4.33Å; V40-I45 HydrophobicContact CG2-CG1 3.79Å; V40-L47 HydrophobicContact CG2-CB 3.53Å; V40-L47 HydrophobicContact CG2-CD2 4.45Å
41E96.6Very high97.6Very high101 Ų10131.6 Ų31.647%0.47217%0.167SC..Hα-helixtrans-60.3-38.4178.6-70.8176.6177.200112.1C37 C38 G43 N211 S212C37-E41 WeakPolarHBondContact O-CG 3.46Å; C37-E41 PolarHBondContact O-N 3.13Å; C38-E41 PolarHBondContact O-N 2.96Å; E41-G43 PolarHBondContact O-N 3.41Å; E41-N211 WeakPolarHBondContact OE1-CB 3.45Å; E41-S212 PolarHBondContact OE1-N 2.92Å
42K95.2Very high97.3Very high77 Ų7730.7 Ų30.734%0.33516%0.163SC..THydrogen-bonded Turntrans-76.9-3.1174-70.2174.4-175.3-79.30113.5C38 L39 V40 Y44 L108C38-K42 WeakPolarHBondContact O-CB 3.25Å; C38-K42 WeakPolarHBondContact O-CG 3.42Å; C38-K42 PolarHBondContact O-N 3.39Å; L39-K42 PolarHBondContact O-N 3Å; V40-K42 VanDerWaalsContact C-N 3.29Å; V40-K42 PolarHBondContact O-N 2.96Å; K42-Y44 HydrophobicContact CB-CD2 3.53Å; K42-Y44 HydrophobicContact CB-CE2 3.7Å; K42-Y44 HydrophobicContact CD-CE2 4.23Å; K42-L108 WeakPolarHBondContact CE-O 3.44Å; K42-L108 PolarHBondContact NZ-O 3.25Å
43G95.4Very high96.9Very high31 Ų3132 Ų3232%0.3217%0.171SC..THydrogen-bonded Turntrans78.217.6175.500000115.6K6 L39 V40 E41K6-G43 WeakPolarHBondContact CD-O 3.4Å; K6-G43 WeakPolarHBondContact CE-O 3.35Å; L39-G43 PolarHBondContact O-N 3.13Å; L39-G43 VanDerWaalsContact O-N 3.1Å; V40-G43 WeakPolarHBondContact O-CA 3.46Å; V40-G43 PolarHBondContact O-N 2.94Å; E41-G43 PolarHBondContact O-N 3.41Å
44Y96.2Very high96.3Very high57 Ų5734.1 Ų34.122%0.22418%0.181CC..SBendtrans-81.7-35.5-178.2-76.3-75.8000113.8P7 L39 K42 L103 C105 R110P7-Y44 WeakPolarHBondContact CD-O 3.07Å; L39-Y44 HydrophobicContact CD2-CD2 4.04Å; L39-Y44 HydrophobicContact CD2-CG 4.34Å; L39-Y44 PolarHBondContact O-N 2.91Å; K42-Y44 HydrophobicContact CB-CD2 3.53Å; K42-Y44 HydrophobicContact CB-CE2 3.7Å; K42-Y44 HydrophobicContact CD-CE2 4.23Å; Y44-L103 HydrophobicContact CD1-CB 4.25Å; Y44-L103 WeakPolarHBondContact CE1-O 2.85Å; Y44-C105 HydrophobicContact CE1-CB 4.47Å; Y44-C105 HydrophobicContact CE2-CB 3.95Å; Y44-R110 PolarHBondContact OH-NH2 3.32Å
45I97.9Very high95.8Very high4 Ų439.3 Ų39.32%0.02121%0.209CC..  trans-138.4167-173.869.3174.5000111.3P7 V9 L36 L39 V40 L103P7-I45 HydrophobicContact CB-CG2 4.23Å; P7-I45 CarbonylContact O-C 3.58Å; P7-I45 WeakPolarHBondContact O-CA 3.37Å; P7-I45 WeakPolarHBondContact O-CB 3.41Å; V9-I45 HydrophobicContact CB-CD1 4.3Å; V9-I45 HydrophobicContact CG2-CB 4.2Å; V9-I45 HydrophobicContact CG2-CD1 3.91Å; V9-I45 HydrophobicContact CG2-CG2 4.23Å; L36-I45 HydrophobicContact CB-CD1 4.1Å; L36-I45 HydrophobicContact CD2-CD1 3.77Å; L36-I45 HydrophobicContact CG-CD1 4.49Å; L39-I45 HydrophobicContact CB-CD1 3.81Å; L39-I45 HydrophobicContact CB-CG1 3.77Å; L39-I45 HydrophobicContact CD1-CD1 4.02Å; V40-I45 HydrophobicContact CG2-CD1 4.33Å; V40-I45 HydrophobicContact CG2-CG1 3.79Å; I45-L103 HydrophobicContact CG2-CD1 3.87Å; I45-L103 HydrophobicContact CG2-CD2 4.4Å
46K97.9Very high95.2Very high68 Ų6845.2 Ų45.230%0.29624%0.24SC..EExtended strand (participates in β ladder)trans-103.5149.4157.1-57.2179.1-164.4-173.60108.1D3 K6 P7 F8 V9D3-K46 WeakPolarHBondContact O-CE 3.06Å; D3-K46 PolarHBondContact O-NZ 2.94Å; D3-K46 VanDerWaalsContact OD2-CE 3.27Å; D3-K46 WeakPolarHBondContact OD2-CE 3.26Å; D3-K46 IonicContact OD2-NZ 2.83Å; D3-K46 PolarHBondContact OD2-NZ 2.96Å; K6-K46 HydrophobicContact CB-CG 4.49Å; P7-K46 PolarHBondContact O-N 2.67Å; F8-K46 HydrophobicContact CB-CB 4.4Å; F8-K46 HydrophobicContact CD2-CB 3.71Å; F8-K46 HydrophobicContact CE2-CB 4.41Å; F8-K46 HydrophobicContact CG-CB 4.35Å; V9-K46 PolarHBondContact N-O 3.07Å
47L98.2Very high94.7Very high41 Ų4148.8 Ų48.822%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-130130.7-176.4-176.362.8000111.5V9 L11 L33 L36 V40 V49V9-L47 HydrophobicContact CB-CD1 4.22Å; V9-L47 HydrophobicContact CG1-CD1 4.25Å; V9-L47 CarbonylContact O-C 3.33Å; V9-L47 WeakPolarHBondContact O-CA 3.42Å; L11-L47 HydrophobicContact CB-CD1 4.12Å; L33-L47 HydrophobicContact CD1-CD2 3.87Å; L36-L47 HydrophobicContact CB-CD1 3.99Å; L36-L47 HydrophobicContact CB-CD2 3.74Å; L36-L47 HydrophobicContact CB-CG 4.48Å; L36-L47 HydrophobicContact CD1-CD1 3.76Å; L36-L47 HydrophobicContact CG-CD1 4.48Å; V40-L47 HydrophobicContact CG2-CB 3.53Å; V40-L47 HydrophobicContact CG2-CD2 4.45Å; L47-V49 HydrophobicContact CD2-CG2 3.99Å; L47-V49 HydrophobicContact CG-CG2 3.98Å
48Q97.5Very high94.3Very high63 Ų6349.6 Ų49.629%0.29426%0.262SS..EExtended strand (participates in β ladder)trans-111.4133.3161.7179.3-173.1-20.400107.8F8 V9 E10 L11 T50F8-Q48 HydrophobicContact CE2-CB 3.69Å; F8-Q48 HydrophobicContact CZ-CB 3.87Å; V9-Q48 PolarHBondContact O-N 3.13Å; E10-Q48 CarbonylContact C-O 3.51Å; E10-Q48 VanDerWaalsContact CA-O 3.3Å; E10-Q48 WeakPolarHBondContact CA-O 3.41Å; E10-Q48 HydrophobicContact CB-CB 4.25Å; E10-Q48 HydrophobicContact CG-CB 4.36Å; E10-Q48 HydrophobicContact CG-CG 4.31Å; E10-Q48 PolarHBondContact OE1-NE2 2.9Å; E10-Q48 VanDerWaalsContact OE1-NE2 3.07Å; L11-Q48 PolarHBondContact N-O 2.75Å; Q48-T50 PolarHBondContact NE2-OG1 3.09Å
49V97.6Very high93.9Very high55 Ų5552.9 Ų52.933%0.33329%0.289SS..EExtended strand (participates in β ladder)trans-111.1127.1175.3-171.90000108.2V13 L33 L47 P51V13-V49 HydrophobicContact CG2-CG1 4.05Å; L33-V49 HydrophobicContact CD1-CG1 4.31Å; L33-V49 HydrophobicContact CD1-CG2 3.43Å; L33-V49 VanDerWaalsContact CD1-CG2 3.43Å; L33-V49 HydrophobicContact CD2-CG1 4.29Å; L47-V49 HydrophobicContact CD2-CG2 3.99Å; L47-V49 HydrophobicContact CG-CG2 3.98Å; V49-P51 WeakPolarHBondContact O-CD 3.25Å
50T96.3Very high93.5Very high22 Ų2254.2 Ų54.214%0.13530%0.298CS..EExtended strand (participates in β ladder)trans-121.890.7-178.3-57.60000108.9E10 L11 F12 V13 Q48 M52 P58E10-T50 PolarHBondContact OE1-OG1 3.33Å; L11-T50 PolarHBondContact O-N 3.19Å; F12-T50 WeakPolarHBondContact CA-O 3.4Å; F12-T50 HydrophobicContact CD1-CG2 3.86Å; F12-T50 HydrophobicContact CE1-CG2 3.87Å; V13-T50 PolarHBondContact N-O 3.35Å; Q48-T50 PolarHBondContact NE2-OG1 3.09Å; T50-M52 PolarHBondContact O-N 2.91Å; T50-P58 HydrophobicContact CG2-CB 4.49Å; T50-P58 HydrophobicContact CG2-CG 3.74Å
51P96.3Very high93.2Very high31 Ų3151.4 Ų51.420%0.20128%0.281CS..EExtended strand (participates in β ladder)trans-61.7135.4168.5-22.836.5000110.4V13 A15 K21 E22 V49V13-P51 HydrophobicContact CG2-CB 4.2Å; V13-P51 HydrophobicContact CG2-CG 4.12Å; V13-P51 WeakPolarHBondContact O-CA 3.23Å; A15-P51 HydrophobicContact CB-CB 4.1Å; K21-P51 WeakPolarHBondContact O-CG 3.18Å; E22-P51 VanDerWaalsContact O-CB 3.26Å; E22-P51 WeakPolarHBondContact O-CB 3.29Å; V49-P51 WeakPolarHBondContact O-CD 3.25Å
52M93.4Very high92.8Very high5 Ų550.6 Ų50.63%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-148.3159.5-178.562.5171.6-76.500113.4F12 V13 A15 T50 Q57 P58 Y61 L70F12-M52 HydrophobicContact CB-CG 4.47Å; F12-M52 HydrophobicContact CB-SD 3.97Å; F12-M52 HydrophobicContact CD1-SD 3.74Å; F12-M52 HydrophobicContact CG-SD 4.15Å; V13-M52 PolarHBondContact O-N 2.92Å; A15-M52 WeakPolarHBondContact CB-O 3.49Å; A15-M52 PolarHBondContact N-O 3.28Å; T50-M52 PolarHBondContact O-N 2.91Å; M52-Q57 HydrophobicContact CE-CB 4.02Å; M52-Q57 HydrophobicContact CE-CG 3.76Å; M52-P58 HydrophobicContact CB-CG 4.26Å; M52-P58 HydrophobicContact SD-CG 4.37Å; M52-Y61 HydrophobicContact CE-CD1 3.57Å; M52-Y61 HydrophobicContact CE-CD2 3.93Å; M52-Y61 HydrophobicContact CE-CE1 3.75Å; M52-Y61 HydrophobicContact CE-CE2 4.08Å; M52-Y61 HydrophobicContact CE-CG 3.65Å; M52-Y61 HydrophobicContact SD-CD1 4.14Å; M52-Y61 HydrophobicContact SD-CD2 3.42Å; M52-Y61 WeakPolarHBondContact SD-CD2 3.47Å; M52-Y61 HydrophobicContact SD-CE2 3.85Å; M52-Y61 HydrophobicContact SD-CG 3.56Å; M52-Y61 VanDerWaalsContact SD-CG 3.56Å; M52-L70 HydrophobicContact CG-CD1 4.33Å; M52-L70 HydrophobicContact CG-CD2 4.24Å; M52-L70 HydrophobicContact SD-CD2 4.16Å
53T90.1Very high92.4Very high30 Ų3054 Ų5418%0.18430%0.3CS..BIsolated β-bridgetrans-116.4155.6170.962.90000109.6A15 R20 D55 L56A15-T53 HydrophobicContact CB-CG2 3.81Å; R20-T53 HydrophobicContact CB-CG2 4.49Å; R20-T53 HydrophobicContact CG-CG2 4.1Å; T53-D55 WeakPolarHBondContact CB-OD1 3.45Å; T53-D55 PolarHBondContact O-N 3.4Å; T53-D55 PolarHBondContact OG1-OD1 3.01Å; T53-L56 CarbonylContact O-C 3.55Å; T53-L56 PolarHBondContact O-N 2.84Å
54M86.3Confident92.1Very high51 Ų5153.9 Ų53.925%0.25129%0.292SS..THydrogen-bonded Turntrans-69.7-20.8-175.3-70.7-68.7164.900113.6Q57 R68 L70M54-Q57 WeakPolarHBondContact O-CG 3.37Å; M54-Q57 PolarHBondContact O-NE2 2.93Å; M54-R68 HydrophobicContact CE-CB 3.76Å; M54-R68 WeakPolarHBondContact CE-O 3.39Å; M54-R68 HydrophobicContact SD-CB 3.66Å; M54-R68 HydrophobicContact SD-CG 3.85Å; M54-L70 HydrophobicContact CE-CD1 3.67Å; M54-L70 HydrophobicContact CE-CG 3.88Å
55D86.9Confident91.5Very high109 Ų10958.1 Ų58.158%0.58332%0.318SS*.THydrogen-bonded Turntrans-81.4-17.4175.158.8-46.2000113.2R20 T53R20-D55 IonicContact CZ-OD2 3.47Å; R20-D55 IonicContact NH1-OD1 3.12Å; R20-D55 IonicContact NH1-OD2 3.85Å; R20-D55 PolarHBondContact NH1-OD2 3.19Å; R20-D55 IonicContact NH2-OD2 2.88Å; R20-D55 PolarHBondContact NH2-OD2 3.42Å; T53-D55 WeakPolarHBondContact CB-OD1 3.45Å; T53-D55 PolarHBondContact O-N 3.4Å; T53-D55 PolarHBondContact OG1-OD1 3.01Å
56L85.6Confident90.6Very high123 Ų12358.5 Ų58.564%0.64432%0.322SS*.BIsolated β-bridgetrans-136.177.4178.5-171.564.5000110.1T53T53-L56 CarbonylContact O-C 3.55Å; T53-L56 PolarHBondContact O-N 2.84Å
57Q88.8Confident89.9Confident75 Ų7558.7 Ų58.735%0.3534%0.336SS..  trans-83.8129-176.6-58179.712.500110.8M52 M54 Y61 V62M52-Q57 HydrophobicContact CE-CB 4.02Å; M52-Q57 HydrophobicContact CE-CG 3.76Å; M54-Q57 WeakPolarHBondContact O-CG 3.37Å; M54-Q57 PolarHBondContact O-NE2 2.93Å; Q57-Y61 HydrophobicContact CB-CD1 4.17Å; Q57-Y61 HydrophobicContact CG-CD1 4.29Å; Q57-V62 HydrophobicContact CB-CG2 3.85Å
58P90.1Very high89.2Confident34 Ų3464.8 Ų64.822%0.22136%0.356CS..  trans-60.9148170.5-21.332.4000111.7F12 T50 M52 S60 Y61 V62F12-P58 HydrophobicContact CD1-CG 4.45Å; F12-P58 HydrophobicContact CE1-CB 4.23Å; F12-P58 HydrophobicContact CE1-CG 4.17Å; T50-P58 HydrophobicContact CG2-CB 4.49Å; T50-P58 HydrophobicContact CG2-CG 3.74Å; M52-P58 HydrophobicContact CB-CG 4.26Å; M52-P58 HydrophobicContact SD-CG 4.37Å; P58-S60 VanDerWaalsContact C-N 3.26Å; P58-S60 PolarHBondContact O-N 2.86Å; P58-Y61 WeakPolarHBondContact O-CB 3.38Å; P58-Y61 PolarHBondContact O-N 3.39Å; P58-V62 PolarHBondContact O-N 3.45Å; P58-V62 VanDerWaalsContact O-N 3.15Å
59A90.4Very high88.7Confident72 Ų7267.3 Ų67.360%0.59537%0.368SS*.Hα-helixtrans-57.6-38.817900000112.6Y61 V62 Q63A59-Y61 VanDerWaalsContact C-N 3.3Å; A59-Y61 PolarHBondContact O-N 3.11Å; A59-V62 PolarHBondContact O-N 2.96Å; A59-Q63 WeakPolarHBondContact O-CG 3.48Å; A59-Q63 PolarHBondContact O-N 3.22Å; A59-Q63 VanDerWaalsContact O-N 3.14Å
60S89.5Confident88.6Confident27 Ų2766.6 Ų66.619%0.18936%0.362CS..Hα-helixtrans-61.1-36.8175.546.60000112.4F12 P58 L64F12-S60 WeakPolarHBondContact CZ-OG 3.36Å; P58-S60 VanDerWaalsContact C-N 3.26Å; P58-S60 PolarHBondContact O-N 2.86Å; S60-L64 WeakPolarHBondContact O-CG 3.21Å
61Y91Very high88.6Confident4 Ų465.9 Ų65.92%0.01636%0.358CS..Hα-helixtrans-67.8-44.4175.2-179.2-93.2000112.2F12 M52 Q57 P58 A59 Q63 L64 A66 R68 H69 L70 I72F12-Y61 HydrophobicContact CB-CD2 4.05Å; F12-Y61 HydrophobicContact CB-CE2 4.44Å; F12-Y61 HydrophobicContact CD1-CD2 4.09Å; F12-Y61 HydrophobicContact CD2-CD2 4.05Å; F12-Y61 AromaticContact CG-CD2 3.78Å; F12-Y61 HydrophobicContact CG-CD2 3.78Å; M52-Y61 HydrophobicContact CE-CD1 3.57Å; M52-Y61 HydrophobicContact CE-CD2 3.93Å; M52-Y61 HydrophobicContact CE-CE1 3.75Å; M52-Y61 HydrophobicContact CE-CE2 4.08Å; M52-Y61 HydrophobicContact CE-CG 3.65Å; M52-Y61 HydrophobicContact SD-CD1 4.14Å; M52-Y61 HydrophobicContact SD-CD2 3.42Å; M52-Y61 WeakPolarHBondContact SD-CD2 3.47Å; M52-Y61 HydrophobicContact SD-CE2 3.85Å; M52-Y61 HydrophobicContact SD-CG 3.56Å; M52-Y61 VanDerWaalsContact SD-CG 3.56Å; Q57-Y61 HydrophobicContact CB-CD1 4.17Å; Q57-Y61 HydrophobicContact CG-CD1 4.29Å; P58-Y61 WeakPolarHBondContact O-CB 3.38Å; P58-Y61 PolarHBondContact O-N 3.39Å; A59-Y61 VanDerWaalsContact C-N 3.3Å; A59-Y61 PolarHBondContact O-N 3.11Å; Y61-Q63 VanDerWaalsContact C-N 3.25Å; Y61-Q63 PolarHBondContact O-N 2.77Å; Y61-L64 WeakPolarHBondContact O-CB 3.24Å; Y61-L64 PolarHBondContact O-N 2.85Å; Y61-L64 VanDerWaalsContact O-N 3.11Å; Y61-A66 HydrophobicContact CE1-CB 4.31Å; Y61-A66 HydrophobicContact CE2-CB 3.85Å; Y61-R68 VanDerWaalsContact OH-C 3.22Å; Y61-R68 WeakPolarHBondContact OH-CA 3.26Å; Y61-H69 PolarHBondContact OH-N 3.41Å; Y61-H69 PolarHBondContact OH-O 3Å; Y61-L70 HydrophobicContact CE2-CD2 3.87Å; Y61-I72 HydrophobicContact CD2-CG2 3.97Å; Y61-I72 HydrophobicContact CE2-CG2 3.56Å
62V88.5Confident88.6Confident83 Ų8364.6 Ų64.650%0.50335%0.349SS..Hα-helixtrans-59.9-39.5-179.7176.30000110.9Q57 P58 A59 L64 N65Q57-V62 HydrophobicContact CB-CG2 3.85Å; P58-V62 PolarHBondContact O-N 3.45Å; P58-V62 VanDerWaalsContact O-N 3.15Å; A59-V62 PolarHBondContact O-N 2.96Å; V62-L64 PolarHBondContact O-N 3.16Å; V62-N65 PolarHBondContact O-N 3.46Å; V62-N65 VanDerWaalsContact O-N 3.15Å
63Q87.5Confident88.7Confident148 Ų14864.3 Ų64.369%0.69235%0.348SS*.Hα-helixtrans-62.5-27178.3-72.2171.39.500113.7A59 Y61 N65A59-Q63 WeakPolarHBondContact O-CG 3.48Å; A59-Q63 PolarHBondContact O-N 3.22Å; A59-Q63 VanDerWaalsContact O-N 3.14Å; Y61-Q63 VanDerWaalsContact C-N 3.25Å; Y61-Q63 PolarHBondContact O-N 2.77Å; Q63-N65 PolarHBondContact O-N 2.64Å
64L88.6Confident89Confident30 Ų3065.1 Ų65.116%0.15735%0.347CS..THydrogen-bonded Turntrans-73-11.3178.4-64.1175.3000113.4F12 S60 Y61 V62 A66 I72 W74 V89F12-L64 HydrophobicContact CD2-CD1 4.2Å; F12-L64 HydrophobicContact CE2-CD1 3.74Å; S60-L64 WeakPolarHBondContact O-CG 3.21Å; Y61-L64 WeakPolarHBondContact O-CB 3.24Å; Y61-L64 PolarHBondContact O-N 2.85Å; Y61-L64 VanDerWaalsContact O-N 3.11Å; V62-L64 PolarHBondContact O-N 3.16Å; L64-A66 HydrophobicContact CB-CB 4.23Å; L64-A66 PolarHBondContact O-N 3.33Å; L64-I72 HydrophobicContact CD1-CD1 4.44Å; L64-W74 HydrophobicContact CD1-CB 4.3Å; L64-W74 HydrophobicContact CD1-CG 4.17Å; L64-W74 HydrophobicContact CD2-CB 3.92Å; L64-W74 HydrophobicContact CD2-CD2 3.95Å; L64-W74 HydrophobicContact CD2-CE3 3.98Å; L64-W74 HydrophobicContact CD2-CG 3.95Å; L64-V89 HydrophobicContact CD2-CG2 3.8Å
65N83.9Confident89.5Confident146 Ų14662.7 Ų62.778%0.78134%0.335SS*.THydrogen-bonded Turntrans49.141.6-173.1-16726.7000112.6V62 Q63 A67V62-N65 PolarHBondContact O-N 3.46Å; V62-N65 VanDerWaalsContact O-N 3.15Å; Q63-N65 PolarHBondContact O-N 2.64Å; N65-A67 PolarHBondContact O-N 3.13Å
66A79.2Confident89.9Confident11 Ų1161 Ų619%0.09132%0.323CS..  trans-73.311.3-16500000115.7Y61 L64 R68 H69 I72Y61-A66 HydrophobicContact CE1-CB 4.31Å; Y61-A66 HydrophobicContact CE2-CB 3.85Å; L64-A66 HydrophobicContact CB-CB 4.23Å; L64-A66 PolarHBondContact O-N 3.33Å; A66-R68 PolarHBondContact O-N 3.36Å; A66-H69 WeakPolarHBondContact O-CB 3.36Å; A66-H69 PolarHBondContact O-CD2 3.46Å; A66-H69 PolarHBondContact O-N 3Å; A66-I72 HydrophobicContact CB-CD1 3.48Å; A66-I72 VanDerWaalsContact CB-CD1 3.48Å; A66-I72 HydrophobicContact CB-CG2 4.38Å
67A81.8Confident90.4Very high72 Ų7257.7 Ų57.760%0.59531%0.31SS*.THydrogen-bonded Turntrans44.334.2-179.800000115.4N65 H69N65-A67 PolarHBondContact O-N 3.13Å; A67-H69 VanDerWaalsContact C-N 3.26Å; A67-H69 PolarHBondContact O-N 2.99Å
68R84Confident90.7Very high170 Ų17054.7 Ų54.764%0.64230%0.3SS*.THydrogen-bonded Turntrans66.818.1-177.9-51.4-179.670.5-175.23.5114.8M54 Y61 A66M54-R68 HydrophobicContact CE-CB 3.76Å; M54-R68 WeakPolarHBondContact CE-O 3.39Å; M54-R68 HydrophobicContact SD-CB 3.66Å; M54-R68 HydrophobicContact SD-CG 3.85Å; Y61-R68 VanDerWaalsContact OH-C 3.22Å; Y61-R68 WeakPolarHBondContact OH-CA 3.26Å; A66-R68 PolarHBondContact O-N 3.36Å
69H87.5Confident91Very high115 Ų11554.8 Ų54.853%0.53230%0.299SS..  trans-74138.1173.3-66.1-64.3000111.6Y61 A66 A67Y61-H69 PolarHBondContact OH-N 3.41Å; Y61-H69 PolarHBondContact OH-O 3Å; A66-H69 WeakPolarHBondContact O-CB 3.36Å; A66-H69 PolarHBondContact O-CD2 3.46Å; A66-H69 PolarHBondContact O-N 3Å; A67-H69 VanDerWaalsContact C-N 3.26Å; A67-H69 PolarHBondContact O-N 2.99Å
70L94.2Very high91.3Very high40 Ų4052 Ų5221%0.20927%0.274CS..SBendtrans-145.3141.8170.3-69.5174.9000108.5F12 K14 M52 M54 Y61 I72F12-L70 HydrophobicContact CB-CD2 3.72Å; K14-L70 HydrophobicContact CB-CD1 4.16Å; M52-L70 HydrophobicContact CG-CD1 4.33Å; M52-L70 HydrophobicContact CG-CD2 4.24Å; M52-L70 HydrophobicContact SD-CD2 4.16Å; M54-L70 HydrophobicContact CE-CD1 3.67Å; M54-L70 HydrophobicContact CE-CG 3.88Å; Y61-L70 HydrophobicContact CE2-CD2 3.87Å; L70-I72 HydrophobicContact CD2-CG2 4.37Å
71P96.7Very high91.4Very high8 Ų856.7 Ų56.75%0.05230%0.297CS..SBendcis-66.2154.8-7.931.5-36.9000111.7L11 F12 I28 W32L11-P71 HydrophobicContact CD1-CB 4.03Å; F12-P71 VanDerWaalsContact O-CA 3.31Å; F12-P71 WeakPolarHBondContact O-CA 3.48Å; I28-P71 HydrophobicContact CG1-CG 4.23Å; I28-P71 HydrophobicContact CG2-CG 4.45Å; W32-P71 HydrophobicContact CB-CB 4.41Å; W32-P71 HydrophobicContact CB-CG 4.27Å; W32-P71 HydrophobicContact CD2-CB 3.95Å; W32-P71 HydrophobicContact CD2-CG 3.49Å; W32-P71 VanDerWaalsContact CD2-CG 3.49Å; W32-P71 HydrophobicContact CE3-CB 3.85Å; W32-P71 HydrophobicContact CE3-CG 3.88Å; W32-P71 HydrophobicContact CG-CB 4.23Å; W32-P71 HydrophobicContact CG-CG 3.69Å; W32-P71 HydrophobicContact CH2-CG 4.49Å; W32-P71 HydrophobicContact CZ2-CG 4.17Å; W32-P71 HydrophobicContact CZ3-CB 4.36Å; W32-P71 HydrophobicContact CZ3-CG 4.36Å
72I96.6Very high91.4Very high3 Ų359.6 Ų59.62%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-144144.9167.4-173.1169.5000107.4F12 Y61 L64 A66 L70 V89 I90F12-I72 HydrophobicContact CB-CG2 3.99Å; F12-I72 HydrophobicContact CD2-CG2 3.98Å; F12-I72 HydrophobicContact CG-CG2 4.37Å; F12-I72 PolarHBondContact N-O 3.44Å; F12-I72 PolarHBondContact O-N 3.19Å; Y61-I72 HydrophobicContact CD2-CG2 3.97Å; Y61-I72 HydrophobicContact CE2-CG2 3.56Å; L64-I72 HydrophobicContact CD1-CD1 4.44Å; A66-I72 HydrophobicContact CB-CD1 3.48Å; A66-I72 VanDerWaalsContact CB-CD1 3.48Å; A66-I72 HydrophobicContact CB-CG2 4.38Å; L70-I72 HydrophobicContact CD2-CG2 4.37Å; I72-V89 HydrophobicContact CD1-CG1 3.84Å; I72-V89 HydrophobicContact CG1-CG1 4.15Å; I72-I90 WeakPolarHBondContact CG1-O 3.31Å
73S96.5Very high91.7Very high0 Ų062.9 Ų62.90%034%0.338CS..EExtended strand (participates in β ladder)trans-134.5164.617457.10000111.6E10 I90E10-S73 CarbonylContact O-C 3.54Å; E10-S73 WeakPolarHBondContact O-CA 3.34Å; E10-S73 WeakPolarHBondContact O-CB 3.08Å; S73-I90 PolarHBondContact N-O 2.82Å; S73-I90 PolarHBondContact O-N 3.31Å; S73-I90 WeakPolarHBondContact OG-CB 3.49Å; S73-I90 WeakPolarHBondContact OG-CD1 3.4Å
74W96Very high92Very high46 Ų4661.6 Ų61.617%0.17434%0.336CS..EExtended strand (participates in β ladder)trans-148.1156.8173.674.9-47.9000110.7V9 E10 F12 L64 K76 L88V9-W74 WeakPolarHBondContact CA-O 3.44Å; E10-W74 PolarHBondContact N-O 2.93Å; E10-W74 PolarHBondContact O-N 2.87Å; E10-W74 PolarHBondContact OE2-NE1 2.83Å; E10-W74 VanDerWaalsContact OE2-NE1 3.1Å; F12-W74 AromaticContact CE2-CD1 3.91Å; L64-W74 HydrophobicContact CD1-CB 4.3Å; L64-W74 HydrophobicContact CD1-CG 4.17Å; L64-W74 HydrophobicContact CD2-CB 3.92Å; L64-W74 HydrophobicContact CD2-CD2 3.95Å; L64-W74 HydrophobicContact CD2-CE3 3.98Å; L64-W74 HydrophobicContact CD2-CG 3.95Å; W74-K76 HydrophobicContact CD2-CG 4.33Å; W74-K76 HydrophobicContact CH2-CG 4.45Å; W74-K76 HydrophobicContact CZ2-CD 4.49Å; W74-K76 HydrophobicContact CZ2-CG 3.71Å; W74-L88 CarbonylContact C-O 3.55Å; W74-L88 WeakPolarHBondContact CA-O 3.41Å
75I96.7Very high92.4Very high0 Ų060.7 Ų60.70%033%0.333CS..EExtended strand (participates in β ladder)trans-90.2112.6174-60.4178.5000108.2P7 F8 V9 S77 I80 A85 S86 G87 L88 I90 L99P7-I75 HydrophobicContact CB-CD1 4.22Å; P7-I75 HydrophobicContact CB-CG2 4.06Å; F8-I75 CarbonylContact O-C 3.56Å; V9-I75 HydrophobicContact CG2-CG1 4.25Å; I75-S77 WeakPolarHBondContact CG2-O 3.29Å; I75-I80 HydrophobicContact CD1-CD1 3.64Å; I75-A85 VanDerWaalsContact CB-O 3.32Å; I75-A85 WeakPolarHBondContact CB-O 3.34Å; I75-A85 HydrophobicContact CD1-CB 3.76Å; I75-A85 HydrophobicContact CG2-CB 4.12Å; I75-A85 WeakPolarHBondContact CG2-O 3.39Å; I75-S86 CarbonylContact O-C 3.55Å; I75-G87 PolarHBondContact O-N 3.45Å; I75-L88 HydrophobicContact CB-CB 4.42Å; I75-L88 HydrophobicContact CD1-CB 4.09Å; I75-L88 HydrophobicContact CD1-CD2 3.84Å; I75-L88 HydrophobicContact CD1-CG 4.5Å; I75-L88 HydrophobicContact CG1-CB 4.36Å; I75-L88 PolarHBondContact N-O 3.37Å; I75-I90 HydrophobicContact CG1-CD1 4.41Å; I75-L99 HydrophobicContact CD1-CD1 4.15Å
76K95.1Very high92.9Very high74 Ų7456.1 Ų56.132%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-71.1-37.6178.7-67.6176.864.4156.90112.3F8 E10 W74F8-K76 HydrophobicContact CD1-CB 4.13Å; F8-K76 HydrophobicContact CD1-CD 4.11Å; F8-K76 HydrophobicContact CE1-CD 3.99Å; F8-K76 HydrophobicContact CG-CB 4.5Å; F8-K76 HydrophobicContact CZ-CD 4.42Å; F8-K76 PolarHBondContact O-N 2.99Å; E10-K76 HydrophobicContact CB-CD 3.68Å; E10-K76 HydrophobicContact CB-CG 4.14Å; E10-K76 IonicContact OE2-NZ 2.63Å; W74-K76 HydrophobicContact CD2-CG 4.33Å; W74-K76 HydrophobicContact CH2-CG 4.45Å; W74-K76 HydrophobicContact CZ2-CD 4.49Å; W74-K76 HydrophobicContact CZ2-CG 3.71Å
77S96Very high93.6Very high53 Ų5357.6 Ų57.637%0.37133%0.329SS..EExtended strand (participates in β ladder)trans-162.8163.1-176.961.40000111P7 F8 I75 S86P7-S77 CarbonylContact C-O 3.27Å; P7-S77 WeakPolarHBondContact CA-O 3.33Å; F8-S77 PolarHBondContact N-O 3.21Å; I75-S77 WeakPolarHBondContact CG2-O 3.29Å; S77-S86 WeakPolarHBondContact CA-OG 3.19Å
78G95.9Very high94.2Very high13 Ų1357 Ų5713%0.13432%0.316CS..  trans107.8-177.3169.800000112.9A85G78-A85 PolarHBondContact O-N 2.89Å
79T96Very high94.8Very high35 Ų3551.6 Ų51.622%0.21530%0.301CS..EExtended strand (participates in β ladder)trans-124.2147.7-169.864.50000112.5D5 P7 E83D5-T79 PolarHBondContact O-N 3.06Å; D5-T79 PolarHBondContact O-OG1 2.85Å; P7-T79 VanDerWaalsContact CD-O 3.31Å; P7-T79 WeakPolarHBondContact CD-O 3.49Å; P7-T79 VanDerWaalsContact CG-O 3.27Å; P7-T79 WeakPolarHBondContact CG-O 3.11Å; T79-E83 CarbonylContact C-O 3.51Å; T79-E83 WeakPolarHBondContact CA-O 3.39Å; T79-E83 VanDerWaalsContact CB-O 3.29Å; T79-E83 WeakPolarHBondContact CB-O 3.29Å
80I95.5Very high95.2Very high13 Ų1346.2 Ų46.27%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-121.4123.3167.6-60.5174.5000107P7 I75 G82 E83 A85 L99 K102 L103P7-I80 HydrophobicContact CB-CG1 4.47Å; P7-I80 HydrophobicContact CG-CD1 4.16Å; P7-I80 HydrophobicContact CG-CG1 3.49Å; P7-I80 VanDerWaalsContact CG-CG1 3.49Å; I75-I80 HydrophobicContact CD1-CD1 3.64Å; I80-G82 PolarHBondContact O-N 3.33Å; I80-G82 VanDerWaalsContact O-N 3.16Å; I80-E83 PolarHBondContact N-O 2.86Å; I80-E83 PolarHBondContact O-N 2.97Å; I80-A85 HydrophobicContact CB-CB 4.29Å; I80-A85 HydrophobicContact CD1-CB 3.86Å; I80-A85 HydrophobicContact CG1-CB 3.76Å; I80-L99 HydrophobicContact CD1-CD1 3.54Å; I80-K102 HydrophobicContact CG2-CB 3.97Å; I80-K102 WeakPolarHBondContact CG2-O 3.35Å; I80-L103 HydrophobicContact CD1-CD2 4.22Å; I80-L103 HydrophobicContact CG1-CD2 4.06Å; I80-L103 HydrophobicContact CG2-CD2 4.3Å
81N91.9Very high95.2Very high127 Ų12747.7 Ų47.768%0.67929%0.29SS*.THydrogen-bonded Turntrans53.931.1-176.7-56.2-34.4000114.3E83 K102N81-E83 VanDerWaalsContact C-N 3.3Å; N81-E83 PolarHBondContact O-N 3.34Å; N81-K102 PolarHBondContact ND2-O 2.87Å
82G91.1Very high95.2Very high65 Ų6549.2 Ų49.267%0.6730%0.301SS*.THydrogen-bonded Turntrans84.4-4.5179.800000114.9I80I80-G82 PolarHBondContact O-N 3.33Å; I80-G82 VanDerWaalsContact O-N 3.16Å
83E94Very high95.1Very high151 Ų15151 Ų5171%0.70631%0.312SS*.EExtended strand (participates in β ladder)trans-94.5141173.8-62.8-177.9169.500110.4T79 I80 N81 A85T79-E83 CarbonylContact C-O 3.51Å; T79-E83 WeakPolarHBondContact CA-O 3.39Å; T79-E83 VanDerWaalsContact CB-O 3.29Å; T79-E83 WeakPolarHBondContact CB-O 3.29Å; I80-E83 PolarHBondContact N-O 2.86Å; I80-E83 PolarHBondContact O-N 2.97Å; N81-E83 VanDerWaalsContact C-N 3.3Å; N81-E83 PolarHBondContact O-N 3.34Å; E83-A85 PolarHBondContact O-N 3.26Å
84D95.6Very high95.1Very high121 Ų12156.9 Ų56.965%0.64734%0.34SS*.EExtended strand (participates in β ladder)trans-60.8122.8173.7-17821.4000110S86D84-S86 WeakPolarHBondContact OD1-CB 3.35Å; D84-S86 PolarHBondContact OD1-N 3.45Å; D84-S86 PolarHBondContact OD1-OG 2.84Å
85A96Very high95.1Very high11 Ų1156 Ų569%0.09134%0.34CS..  trans-104.91.2-17900000112.2I75 G78 I80 E83 G87 L88I75-A85 VanDerWaalsContact CB-O 3.32Å; I75-A85 WeakPolarHBondContact CB-O 3.34Å; I75-A85 HydrophobicContact CD1-CB 3.76Å; I75-A85 HydrophobicContact CG2-CB 4.12Å; I75-A85 WeakPolarHBondContact CG2-O 3.39Å; G78-A85 PolarHBondContact O-N 2.89Å; I80-A85 HydrophobicContact CB-CB 4.29Å; I80-A85 HydrophobicContact CD1-CB 3.86Å; I80-A85 HydrophobicContact CG1-CB 3.76Å; E83-A85 PolarHBondContact O-N 3.26Å; A85-G87 PolarHBondContact O-N 3.46Å; A85-L88 WeakPolarHBondContact O-CB 3.24Å; A85-L88 PolarHBondContact O-N 2.88Å; A85-L88 VanDerWaalsContact O-N 3.14Å
86S94.7Very high95.2Very high50 Ų5056 Ų5635%0.3534%0.34SS..THydrogen-bonded Turntrans-55.2135.5179.8-52.40000111.6I75 S77 D84 L88I75-S86 CarbonylContact O-C 3.55Å; S77-S86 WeakPolarHBondContact CA-OG 3.19Å; D84-S86 WeakPolarHBondContact OD1-CB 3.35Å; D84-S86 PolarHBondContact OD1-N 3.45Å; D84-S86 PolarHBondContact OD1-OG 2.84Å; S86-L88 VanDerWaalsContact C-N 3.28Å; S86-L88 PolarHBondContact O-N 3.39Å
87G93.7Very high95.3Very high43 Ų4355.6 Ų55.644%0.44334%0.34SS..THydrogen-bonded Turntrans81.6-5.6-177.900000115.1I75 A85 V89I75-G87 PolarHBondContact O-N 3.45Å; A85-G87 PolarHBondContact O-N 3.46Å; G87-V89 PolarHBondContact O-N 3.42Å
88L95Very high95.3Very high60 Ų6056.4 Ų56.431%0.31434%0.343SS..  trans-62.8119.9175.8-176.869.8000110.3W74 I75 A85 S86W74-L88 CarbonylContact C-O 3.55Å; W74-L88 WeakPolarHBondContact CA-O 3.41Å; I75-L88 HydrophobicContact CB-CB 4.42Å; I75-L88 HydrophobicContact CD1-CB 4.09Å; I75-L88 HydrophobicContact CD1-CD2 3.84Å; I75-L88 HydrophobicContact CD1-CG 4.5Å; I75-L88 HydrophobicContact CG1-CB 4.36Å; I75-L88 PolarHBondContact N-O 3.37Å; A85-L88 WeakPolarHBondContact O-CB 3.24Å; A85-L88 PolarHBondContact O-N 2.88Å; A85-L88 VanDerWaalsContact O-N 3.14Å; S86-L88 VanDerWaalsContact C-N 3.28Å; S86-L88 PolarHBondContact O-N 3.39Å
89V95.6Very high95.4Very high56 Ų5655.9 Ų55.934%0.33934%0.337SS..EExtended strand (participates in β ladder)trans-94.7135.5178.4-174.80000110.4L64 I72 G87L64-V89 HydrophobicContact CD2-CG2 3.8Å; I72-V89 HydrophobicContact CD1-CG1 3.84Å; I72-V89 HydrophobicContact CG1-CG1 4.15Å; G87-V89 PolarHBondContact O-N 3.42Å
90I96.4Very high95.5Very high2 Ų254.3 Ų54.31%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-116.598.3175.8-57.7126.2000106.7W32 I72 S73 I75 S95 L96 L99W32-I90 HydrophobicContact CH2-CG2 3.91Å; W32-I90 HydrophobicContact CZ3-CB 4.49Å; W32-I90 HydrophobicContact CZ3-CG2 3.74Å; W32-I90 WeakPolarHBondContact CZ3-O 3.36Å; I72-I90 WeakPolarHBondContact CG1-O 3.31Å; S73-I90 PolarHBondContact N-O 2.82Å; S73-I90 PolarHBondContact O-N 3.31Å; S73-I90 WeakPolarHBondContact OG-CB 3.49Å; S73-I90 WeakPolarHBondContact OG-CD1 3.4Å; I75-I90 HydrophobicContact CG1-CD1 4.41Å; I90-S95 WeakPolarHBondContact CA-OG 3.41Å; I90-S95 WeakPolarHBondContact CG2-OG 3.13Å; I90-L96 HydrophobicContact CG2-CB 3.86Å; I90-L96 HydrophobicContact CG2-CD1 4.35Å; I90-L99 HydrophobicContact CD1-CD2 3.8Å; I90-L99 HydrophobicContact CG1-CD2 4.3Å
91S94.3Very high95.6Very high71 Ų7158.9 Ų58.950%0.49735%0.35SS..  trans-109.9-6.3-169.756.20000114.6S95S91-S95 PolarHBondContact N-OG 3.31Å
92S95.8Very high95.8Very high40 Ų4057.4 Ų57.428%0.2834%0.338SS..SBendtrans-147.1166178.4840000112.5W32 E94 S95 L96W32-S92 WeakPolarHBondContact CZ2-O 3.29Å; S92-E94 VanDerWaalsContact C-N 3.25Å; S92-E94 WeakPolarHBondContact CB-OE2 3.46Å; S92-E94 PolarHBondContact O-N 2.99Å; S92-E94 PolarHBondContact OG-N 3.35Å; S92-E94 PolarHBondContact OG-OE2 2.95Å; S92-S95 PolarHBondContact N-OG 3.34Å; S92-S95 PolarHBondContact O-N 3.4Å; S92-S95 VanDerWaalsContact O-N 3.12Å; S92-S95 PolarHBondContact O-OG 2.79Å; S92-S95 PolarHBondContact OG-N 2.65Å; S92-L96 PolarHBondContact O-N 2.91Å
93T95.6Very high96Very high40 Ų4055.1 Ų55.125%0.24531%0.31CS..Hα-helixtrans-58.3-40.4177.6-55.60000111.1S95 L96 E97 Y169T93-S95 VanDerWaalsContact C-N 3.33Å; T93-S95 PolarHBondContact O-N 3.25Å; T93-L96 WeakPolarHBondContact O-CB 2.97Å; T93-L96 PolarHBondContact O-N 3.46Å; T93-L96 VanDerWaalsContact O-N 3.14Å; T93-E97 WeakPolarHBondContact O-CG 3.32Å; T93-E97 PolarHBondContact O-N 3.22Å; T93-Y169 WeakPolarHBondContact CG2-OH 3.32Å
94E96.5Very high96.1Very high124 Ų12449.5 Ų49.558%0.57929%0.293SS*.Hα-helixtrans-64-37.7177-55.480.1-177.200111.7S92 E97 T98S92-E94 VanDerWaalsContact C-N 3.25Å; S92-E94 WeakPolarHBondContact CB-OE2 3.46Å; S92-E94 PolarHBondContact O-N 2.99Å; S92-E94 PolarHBondContact OG-N 3.35Å; S92-E94 PolarHBondContact OG-OE2 2.95Å; E94-E97 PolarHBondContact O-N 2.83Å; E94-T98 WeakPolarHBondContact O-CB 3.1Å; E94-T98 PolarHBondContact O-N 3.18Å; E94-T98 PolarHBondContact O-OG1 3.23Å
95S96.1Very high96.1Very high27 Ų2744 Ų4419%0.18926%0.264CS..Hα-helixtrans-70.7-31.7175.271.40000112.5I90 S91 S92 T93 T98 L99I90-S95 WeakPolarHBondContact CA-OG 3.41Å; I90-S95 WeakPolarHBondContact CG2-OG 3.13Å; S91-S95 PolarHBondContact N-OG 3.31Å; S92-S95 PolarHBondContact N-OG 3.34Å; S92-S95 PolarHBondContact O-N 3.4Å; S92-S95 VanDerWaalsContact O-N 3.12Å; S92-S95 PolarHBondContact O-OG 2.79Å; S92-S95 PolarHBondContact OG-N 2.65Å; T93-S95 VanDerWaalsContact C-N 3.33Å; T93-S95 PolarHBondContact O-N 3.25Å; S95-T98 WeakPolarHBondContact O-CB 2.89Å; S95-T98 PolarHBondContact O-N 3.35Å; S95-L99 PolarHBondContact O-N 3.33Å
96L98Very high96.1Very high0 Ų045.4 Ų45.40%027%0.272CS..Hα-helixtrans-68.1-43.8173.3177.364.6000110.5W32 T35 L36 I90 S92 T93 T98 L99 L100 Y169W32-L96 HydrophobicContact CB-CD2 4.3Å; W32-L96 HydrophobicContact CD2-CD2 3.83Å; W32-L96 HydrophobicContact CE3-CD2 4.46Å; W32-L96 HydrophobicContact CG-CD2 3.71Å; T35-L96 HydrophobicContact CG2-CD2 4.31Å; L36-L96 HydrophobicContact CD2-CD1 3.95Å; I90-L96 HydrophobicContact CG2-CB 3.86Å; I90-L96 HydrophobicContact CG2-CD1 4.35Å; S92-L96 PolarHBondContact O-N 2.91Å; T93-L96 WeakPolarHBondContact O-CB 2.97Å; T93-L96 PolarHBondContact O-N 3.46Å; T93-L96 VanDerWaalsContact O-N 3.14Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 2.92Å; L96-L99 HydrophobicContact CD1-CD2 4.38Å; L96-L99 VanDerWaalsContact O-CB 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.47Å; L96-L99 PolarHBondContact O-N 2.68Å; L96-L99 VanDerWaalsContact O-N 3.12Å; L96-L100 WeakPolarHBondContact O-CG 3.33Å; L96-L100 PolarHBondContact O-N 3.07Å; L96-Y169 HydrophobicContact CD2-CE2 4.29Å
97E97.1Very high96.1Very high66 Ų6644.3 Ų44.331%0.30826%0.262SS..Hα-helixtrans-62.2-39.1173.9-72.2167.5-159.300111.7T93 E94 L99 L100 I101 Y169T93-E97 WeakPolarHBondContact O-CG 3.32Å; T93-E97 PolarHBondContact O-N 3.22Å; E94-E97 PolarHBondContact O-N 2.83Å; E97-L99 VanDerWaalsContact C-N 3.3Å; E97-L99 PolarHBondContact O-N 3.26Å; E97-L100 WeakPolarHBondContact O-CB 3.2Å; E97-L100 PolarHBondContact O-N 2.99Å; E97-L100 VanDerWaalsContact O-N 3.14Å; E97-I101 WeakPolarHBondContact O-CG1 3.38Å; E97-I101 PolarHBondContact O-N 3.47Å; E97-Y169 HydrophobicContact CG-CE1 4.06Å; E97-Y169 VanDerWaalsContact OE1-CE1 3.3Å; E97-Y169 WeakPolarHBondContact OE1-CE1 3.41Å; E97-Y169 PolarHBondContact OE1-OH 3.33Å
98T97.2Very high96.3Very high70 Ų7042.3 Ų42.343%0.42924%0.241SC..Hα-helixtrans-60.1-40.7172.5-59.10000111.4E94 S95 L96 I101 K102E94-T98 WeakPolarHBondContact O-CB 3.1Å; E94-T98 PolarHBondContact O-N 3.18Å; E94-T98 PolarHBondContact O-OG1 3.23Å; S95-T98 WeakPolarHBondContact O-CB 2.89Å; S95-T98 PolarHBondContact O-N 3.35Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 2.92Å; T98-I101 PolarHBondContact O-N 2.85Å; T98-K102 WeakPolarHBondContact O-CG 3.26Å; T98-K102 PolarHBondContact O-N 3.35Å
99L97.5Very high96.3Very high2 Ų240.3 Ų40.31%0.0123%0.231CC..Hα-helixtrans-61.4-45.5173.1174.666.5000111.4L36 I75 I80 I90 S95 L96 E97 I101 K102 L103L36-L99 HydrophobicContact CD2-CD2 4.48Å; I75-L99 HydrophobicContact CD1-CD1 4.15Å; I80-L99 HydrophobicContact CD1-CD1 3.54Å; I90-L99 HydrophobicContact CD1-CD2 3.8Å; I90-L99 HydrophobicContact CG1-CD2 4.3Å; S95-L99 PolarHBondContact O-N 3.33Å; L96-L99 HydrophobicContact CD1-CD2 4.38Å; L96-L99 VanDerWaalsContact O-CB 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.47Å; L96-L99 PolarHBondContact O-N 2.68Å; L96-L99 VanDerWaalsContact O-N 3.12Å; E97-L99 VanDerWaalsContact C-N 3.3Å; E97-L99 PolarHBondContact O-N 3.26Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.15Å; L99-K102 PolarHBondContact O-N 2.95Å; L99-L103 HydrophobicContact CD1-CD1 3.96Å; L99-L103 HydrophobicContact CD1-CG 4.08Å; L99-L103 HydrophobicContact CG-CD1 3.88Å; L99-L103 HydrophobicContact CG-CG 4.4Å; L99-L103 WeakPolarHBondContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.27Å
100L97.8Very high96.2Very high1 Ų145 Ų451%0.00524%0.243CC..Hα-helixtrans-57.1-44176.5-66.2179000111.9T35 L39 L96 E97 L103 G104 C105 L108 Y169T35-L100 HydrophobicContact CG2-CD1 4.13Å; T35-L100 HydrophobicContact CG2-CD2 4.01Å; L39-L100 HydrophobicContact CD1-CD2 3.74Å; L39-L100 HydrophobicContact CD2-CD2 3.82Å; L39-L100 HydrophobicContact CG-CD2 4.07Å; L96-L100 WeakPolarHBondContact O-CG 3.33Å; L96-L100 PolarHBondContact O-N 3.07Å; E97-L100 WeakPolarHBondContact O-CB 3.2Å; E97-L100 PolarHBondContact O-N 2.99Å; E97-L100 VanDerWaalsContact O-N 3.14Å; L100-L103 PolarHBondContact O-N 3.16Å; L100-G104 PolarHBondContact O-N 3.22Å; L100-C105 CarbonylContact O-C 3.58Å; L100-C105 VanDerWaalsContact O-C 3.27Å; L100-C105 PolarHBondContact O-N 2.65Å; L100-L108 HydrophobicContact CD2-CD2 3.89Å; L100-Y169 HydrophobicContact CD1-CD2 4.13Å; L100-Y169 HydrophobicContact CD1-CE2 4.48Å
101I96.8Very high96.1Very high110 Ų11051.3 Ų51.356%0.56428%0.276SS*.Hα-helixtrans-61.7-48.8175.4-67.3163000110.5E97 T98 L99 L103 G104 P106E97-I101 WeakPolarHBondContact O-CG1 3.38Å; E97-I101 PolarHBondContact O-N 3.47Å; T98-I101 PolarHBondContact O-N 2.85Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.15Å; I101-L103 VanDerWaalsContact C-N 3.27Å; I101-L103 PolarHBondContact O-N 3.17Å; I101-G104 PolarHBondContact O-N 2.55Å; I101-P106 HydrophobicContact CG1-CB 4Å
102K96.3Very high96.1Very high96 Ų9649.6 Ų49.642%0.41726%0.261SS..Hα-helixtrans-61.2-34.7179.8-74.6-175.8174.6-167.30112.7I80 N81 T98 L99 G104I80-K102 HydrophobicContact CG2-CB 3.97Å; I80-K102 WeakPolarHBondContact CG2-O 3.35Å; N81-K102 PolarHBondContact ND2-O 2.87Å; T98-K102 WeakPolarHBondContact O-CG 3.26Å; T98-K102 PolarHBondContact O-N 3.35Å; L99-K102 PolarHBondContact O-N 2.95Å; K102-G104 PolarHBondContact O-N 2.85Å
103L96.4Very high96Very high17 Ų1754.3 Ų54.39%0.08928%0.277CS..THydrogen-bonded Turntrans-75.3-3.1174.2-68.4171.2000113.5P7 L39 Y44 I45 I80 L99 L100 I101 C105P7-L103 HydrophobicContact CG-CD2 4.3Å; L39-L103 HydrophobicContact CD1-CD1 3.82Å; L39-L103 HydrophobicContact CD2-CD1 4.35Å; Y44-L103 HydrophobicContact CD1-CB 4.25Å; Y44-L103 WeakPolarHBondContact CE1-O 2.85Å; I45-L103 HydrophobicContact CG2-CD1 3.87Å; I45-L103 HydrophobicContact CG2-CD2 4.4Å; I80-L103 HydrophobicContact CD1-CD2 4.22Å; I80-L103 HydrophobicContact CG1-CD2 4.06Å; I80-L103 HydrophobicContact CG2-CD2 4.3Å; L99-L103 HydrophobicContact CD1-CD1 3.96Å; L99-L103 HydrophobicContact CD1-CG 4.08Å; L99-L103 HydrophobicContact CG-CD1 3.88Å; L99-L103 HydrophobicContact CG-CG 4.4Å; L99-L103 WeakPolarHBondContact O-CB 3.31Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.27Å; L100-L103 PolarHBondContact O-N 3.16Å; I101-L103 VanDerWaalsContact C-N 3.27Å; I101-L103 PolarHBondContact O-N 3.17Å; L103-C105 VanDerWaalsContact C-N 3.3Å; L103-C105 PolarHBondContact O-N 3.42Å
104G95Very high95.9Very high33 Ų3355 Ų5534%0.3429%0.286SS..THydrogen-bonded Turntrans70.526-177.400000113.4L100 I101 K102 R110L100-G104 PolarHBondContact O-N 3.22Å; I101-G104 PolarHBondContact O-N 2.55Å; K102-G104 PolarHBondContact O-N 2.85Å; G104-R110 PolarHBondContact O-NE 3.24Å; G104-R110 PolarHBondContact O-NH2 3.38Å
105C95.5Very high95.9Very high5 Ų551.9 Ų51.93%0.03428%0.278CS..  trans-136.253.7-178.7-160.80000111.5L39 Y44 L100 L103 L108L39-C105 HydrophobicContact CD2-CB 4.44Å; Y44-C105 HydrophobicContact CE1-CB 4.47Å; Y44-C105 HydrophobicContact CE2-CB 3.95Å; L100-C105 CarbonylContact O-C 3.58Å; L100-C105 VanDerWaalsContact O-C 3.27Å; L100-C105 PolarHBondContact O-N 2.65Å; L103-C105 VanDerWaalsContact C-N 3.3Å; L103-C105 PolarHBondContact O-N 3.42Å; C105-L108 PolarHBondContact O-N 3.48Å; C105-L108 VanDerWaalsContact SG-C 3.59Å
106P96.3Very high95.9Very high40 Ų4054.4 Ų54.426%0.2629%0.289SS..G310 helixtrans-57.6143.3177.128-34.6000110.1I101 L108 N109 R110I101-P106 HydrophobicContact CG1-CB 4Å; P106-L108 PolarHBondContact O-N 2.77Å; P106-N109 CarbonylContact O-C 3.58Å; P106-N109 PolarHBondContact O-N 2.81Å; P106-R110 HydrophobicContact CG-CB 4.38Å
107D96.2Very high95.8Very high28 Ų2854.6 Ų54.615%0.1529%0.291CS..G310 helixtrans52.221.2-178.1-59.9-58.1000115N109 L112 V117 S168 Y169D107-N109 PolarHBondContact O-N 3.24Å; D107-L112 HydrophobicContact CB-CD1 4.28Å; D107-V117 HydrophobicContact CB-CG2 4.31Å; D107-S168 CarbonylContact O-C 3.17Å; D107-S168 WeakPolarHBondContact O-CA 3.27Å; D107-Y169 PolarHBondContact O-N 3.37Å
108L97.2Very high95.8Very high0 Ų058.7 Ų58.70%030%0.303CS..G310 helixtrans602.1-168.5-57.8172.1000115.1T35 C38 L39 K42 L100 C105 P106 C172T35-L108 HydrophobicContact CG2-CD1 4.25Å; T35-L108 HydrophobicContact CG2-CD2 4.11Å; T35-L108 HydrophobicContact CG2-CG 4.33Å; C38-L108 HydrophobicContact CB-CD1 3.72Å; C38-L108 HydrophobicContact CB-CD2 4.04Å; C38-L108 HydrophobicContact CB-CG 4.49Å; L39-L108 HydrophobicContact CD2-CD2 3.72Å; L39-L108 HydrophobicContact CG-CD2 3.96Å; K42-L108 WeakPolarHBondContact CE-O 3.44Å; K42-L108 PolarHBondContact NZ-O 3.25Å; L100-L108 HydrophobicContact CD2-CD2 3.89Å; C105-L108 PolarHBondContact O-N 3.48Å; C105-L108 VanDerWaalsContact SG-C 3.59Å; P106-L108 PolarHBondContact O-N 2.77Å; L108-C172 VanDerWaalsContact CD1-SG 3.59Å
109N94.7Very high95.7Very high18 Ų1858.2 Ų58.210%0.09631%0.306CS..  trans-150.8102.9178.7-177.6-15.9000110.1P106 D107 N111 L112P106-N109 CarbonylContact O-C 3.58Å; P106-N109 PolarHBondContact O-N 2.81Å; D107-N109 PolarHBondContact O-N 3.24Å; N109-N111 PolarHBondContact O-N 3.15Å; N109-N111 WeakPolarHBondContact OD1-CB 3.21Å; N109-N111 PolarHBondContact OD1-N 2.92Å; N109-L112 HydrophobicContact CB-CD1 3.81Å; N109-L112 HydrophobicContact CB-CG 3.87Å; N109-L112 PolarHBondContact O-N 3.31Å; N109-L112 VanDerWaalsContact O-N 3.1Å
110R93.7Very high95.7Very high156 Ų15658.1 Ų58.159%0.58931%0.306SS*.THydrogen-bonded Turntrans-60.8-13.2-17771.9179.369.3176.43.8115.4Y44 G104 P106Y44-R110 PolarHBondContact OH-NH2 3.32Å; G104-R110 PolarHBondContact O-NE 3.24Å; G104-R110 PolarHBondContact O-NH2 3.38Å; P106-R110 HydrophobicContact CG-CB 4.38Å
111N93.8Very high95.6Very high133 Ų13360.4 Ų60.471%0.71132%0.316SS*.THydrogen-bonded Turntrans-91.5-6.8-177.9-57.2-45.3000112.5N109N109-N111 PolarHBondContact O-N 3.15Å; N109-N111 WeakPolarHBondContact OD1-CB 3.21Å; N109-N111 PolarHBondContact OD1-N 2.92Å
112L94.6Very high95.7Very high35 Ų3561.3 Ų61.318%0.18332%0.316CS..SBendtrans-77.1140.5177.3-62.4178.9000110.9D107 N109 V117 M163D107-L112 HydrophobicContact CB-CD1 4.28Å; N109-L112 HydrophobicContact CB-CD1 3.81Å; N109-L112 HydrophobicContact CB-CG 3.87Å; N109-L112 PolarHBondContact O-N 3.31Å; N109-L112 VanDerWaalsContact O-N 3.1Å; L112-V117 HydrophobicContact CB-CG2 4.03Å; L112-V117 HydrophobicContact CD1-CG2 4.37Å; L112-M163 HydrophobicContact CD1-CB 4.1Å; L112-M163 HydrophobicContact CD1-CE 4.29Å; L112-M163 HydrophobicContact CD1-SD 3.82Å; L112-M163 HydrophobicContact CD2-CB 4.06Å; L112-M163 HydrophobicContact CD2-CE 4.11Å
113K94.6Very high95.7Very high140 Ų14058.5 Ų58.561%0.60931%0.307SS*.  trans-86.4135.2172.4-62.4178.4-177.31740109.3S115 D116 V117K113-S115 PolarHBondContact O-N 2.87Å; K113-S115 VanDerWaalsContact O-N 3.11Å; K113-D116 HydrophobicContact CB-CB 4.4Å; K113-D116 PolarHBondContact O-N 2.85Å; K113-V117 PolarHBondContact O-N 3.49Å; K113-V117 VanDerWaalsContact O-N 3.08Å
114A93.7Very high95.8Very high53 Ų5357.9 Ų57.944%0.43830%0.304SS..Hα-helixtrans-57.3-29.3178.200000113.6R118A114-R118 WeakPolarHBondContact O-CG 3.45Å; A114-R118 PolarHBondContact O-N 2.88Å; A114-R118 VanDerWaalsContact O-N 3.16Å; A114-R118 PolarHBondContact O-NH1 3.37Å
115S96.1Very high95.9Very high59 Ų5960.6 Ų60.641%0.41331%0.307SS..Hα-helixtrans-64.8-40.8173.4530000112.7K113 A119K113-S115 PolarHBondContact O-N 2.87Å; K113-S115 VanDerWaalsContact O-N 3.11Å; S115-A119 WeakPolarHBondContact O-CB 3.44Å; S115-A119 PolarHBondContact O-N 2.79Å
116D95.3Very high96.1Very high80 Ų8064.4 Ų64.443%0.42833%0.327SS..Hα-helixtrans-76.1-35.3-175.3-56.7-8.6000109.7K113 A119 A120 M163K113-D116 HydrophobicContact CB-CB 4.4Å; K113-D116 PolarHBondContact O-N 2.85Å; D116-A119 PolarHBondContact O-N 3.01Å; D116-A120 WeakPolarHBondContact O-CB 3.45Å; D116-A120 PolarHBondContact O-N 3.08Å; D116-M163 HydrophobicContact CB-CE 4.04Å
117V95.9Very high96.2Very high5 Ų562.5 Ų62.53%0.0332%0.315CS..Hα-helixtrans-58.4-55.2171174.40000109.8D107 L112 K113 A119 A120 E121 M163 V170D107-V117 HydrophobicContact CB-CG2 4.31Å; L112-V117 HydrophobicContact CB-CG2 4.03Å; L112-V117 HydrophobicContact CD1-CG2 4.37Å; K113-V117 PolarHBondContact O-N 3.49Å; K113-V117 VanDerWaalsContact O-N 3.08Å; V117-A119 VanDerWaalsContact C-N 3.28Å; V117-A119 PolarHBondContact O-N 3.28Å; V117-A120 WeakPolarHBondContact O-CB 3.48Å; V117-A120 PolarHBondContact O-N 3.1Å; V117-E121 HydrophobicContact CG1-CG 4.45Å; V117-E121 WeakPolarHBondContact O-CG 3.39Å; V117-E121 PolarHBondContact O-N 3Å; V117-M163 HydrophobicContact CB-CE 4.34Å; V117-M163 HydrophobicContact CB-SD 4.37Å; V117-M163 HydrophobicContact CG2-CE 3.81Å; V117-M163 HydrophobicContact CG2-SD 3.85Å; V117-V170 HydrophobicContact CG1-CG2 3.81Å
118R96.6Very high96.3Very high152 Ų15265 Ų6557%0.57432%0.323SS*.Hα-helixtrans-58.5-38.9178.4-73.3-171.1-62.1-89.93.6113A114 A120 E121 K122A114-R118 WeakPolarHBondContact O-CG 3.45Å; A114-R118 PolarHBondContact O-N 2.88Å; A114-R118 VanDerWaalsContact O-N 3.16Å; A114-R118 PolarHBondContact O-NH1 3.37Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-E121 PolarHBondContact O-N 3.36Å; R118-K122 WeakPolarHBondContact O-CB 3.36Å; R118-K122 PolarHBondContact O-N 3.47Å; R118-K122 VanDerWaalsContact O-N 3.1Å
119A96.1Very high96.3Very high59 Ų5967.3 Ų67.349%0.48834%0.339SS..Hα-helixtrans-64.4-40176.600000111.7S115 D116 V117 K122S115-A119 WeakPolarHBondContact O-CB 3.44Å; S115-A119 PolarHBondContact O-N 2.79Å; D116-A119 PolarHBondContact O-N 3.01Å; V117-A119 VanDerWaalsContact C-N 3.28Å; V117-A119 PolarHBondContact O-N 3.28Å; A119-K122 WeakPolarHBondContact O-CB 3.49Å; A119-K122 PolarHBondContact O-N 3.03Å
120A96.3Very high96.5Very high0 Ų066.5 Ų66.50%034%0.335CS..Hα-helixtrans-64.3-47.5175.600000111.8D116 V117 R118 K122 V123 F124 Y153 M163 V170D116-A120 WeakPolarHBondContact O-CB 3.45Å; D116-A120 PolarHBondContact O-N 3.08Å; V117-A120 WeakPolarHBondContact O-CB 3.48Å; V117-A120 PolarHBondContact O-N 3.1Å; R118-A120 VanDerWaalsContact C-N 3.34Å; A120-K122 VanDerWaalsContact C-N 3.25Å; A120-K122 PolarHBondContact O-N 2.7Å; A120-V123 WeakPolarHBondContact O-CB 3.45Å; A120-V123 PolarHBondContact O-N 2.95Å; A120-V123 VanDerWaalsContact O-N 3.1Å; A120-F124 VanDerWaalsContact O-CD1 3.25Å; A120-F124 WeakPolarHBondContact O-CD1 3.38Å; A120-F124 VanDerWaalsContact O-CE1 3.22Å; A120-F124 WeakPolarHBondContact O-CE1 3.48Å; A120-Y153 HydrophobicContact CB-CE1 4.32Å; A120-Y153 HydrophobicContact CB-CE2 4.33Å; A120-Y153 WeakPolarHBondContact CB-OH 3.37Å; A120-M163 HydrophobicContact CB-CE 4.37Å; A120-M163 HydrophobicContact CB-CG 4.34Å; A120-M163 HydrophobicContact CB-SD 4.22Å; A120-V170 HydrophobicContact CB-CG1 4.02Å; A120-V170 HydrophobicContact CB-CG2 4.35Å
121E97.3Very high96.7Very high49 Ų4959.1 Ų59.123%0.22931%0.307CS..Hα-helixtrans-57.3-39.8178.2-66.7178.8142.400112.2V117 R118 V123 F124 E125 V170 Q173V117-E121 HydrophobicContact CG1-CG 4.45Å; V117-E121 WeakPolarHBondContact O-CG 3.39Å; V117-E121 PolarHBondContact O-N 3Å; R118-E121 PolarHBondContact O-N 3.36Å; E121-V123 PolarHBondContact O-N 2.97Å; E121-F124 PolarHBondContact O-N 3.26Å; E121-E125 PolarHBondContact O-N 3.49Å; E121-V170 HydrophobicContact CG-CG2 4.09Å; E121-Q173 PolarHBondContact OE1-NE2 2.95Å; E121-Q173 PolarHBondContact OE1-OE1 2.86Å; E121-Q173 VanDerWaalsContact OE1-OE1 3.14Å
122K97.8Very high96.9Very high130 Ų13054.3 Ų54.357%0.56528%0.281SS*.Hα-helixtrans-58.9-29.5178.6-16571.4-172.7168.40113.1R118 A119 A120 F124 E125R118-K122 WeakPolarHBondContact O-CB 3.36Å; R118-K122 PolarHBondContact O-N 3.47Å; R118-K122 VanDerWaalsContact O-N 3.1Å; A119-K122 WeakPolarHBondContact O-CB 3.49Å; A119-K122 PolarHBondContact O-N 3.03Å; A120-K122 VanDerWaalsContact C-N 3.25Å; A120-K122 PolarHBondContact O-N 2.7Å; K122-F124 PolarHBondContact O-N 3.27Å; K122-E125 WeakPolarHBondContact CD-OE2 3.26Å; K122-E125 WeakPolarHBondContact CE-OE1 3.45Å; K122-E125 IonicContact NZ-OE1 3.73Å; K122-E125 PolarHBondContact NZ-OE1 3.39Å; K122-E125 IonicContact NZ-OE2 2.6Å; K122-E125 PolarHBondContact NZ-OE2 2.92Å
123V97.5Very high97.1Very high36 Ų3657.4 Ų57.422%0.21829%0.294CS..Hα-helixtrans-64.6-29.9-178.7179.20000112A120 E121 L150 Y153A120-V123 WeakPolarHBondContact O-CB 3.45Å; A120-V123 PolarHBondContact O-N 2.95Å; A120-V123 VanDerWaalsContact O-N 3.1Å; E121-V123 PolarHBondContact O-N 2.97Å; V123-L150 HydrophobicContact CG1-CB 4.17Å; V123-L150 HydrophobicContact CG1-CD1 4.21Å; V123-Y153 HydrophobicContact CG1-CG 4.36Å; V123-Y153 HydrophobicContact CG2-CD2 3.86Å; V123-Y153 HydrophobicContact CG2-CE2 4.44Å; V123-Y153 HydrophobicContact CG2-CG 4.05Å
124F97.7Very high97.2Very high5 Ų551.2 Ų51.22%0.02227%0.267CS..Hα-helixtrans-131.414.8-172.266.6-91.1000113.9A120 E121 K122 D126 L127 V170 Q173 L174 K177A120-F124 VanDerWaalsContact O-CD1 3.25Å; A120-F124 WeakPolarHBondContact O-CD1 3.38Å; A120-F124 VanDerWaalsContact O-CE1 3.22Å; A120-F124 WeakPolarHBondContact O-CE1 3.48Å; E121-F124 PolarHBondContact O-N 3.26Å; K122-F124 PolarHBondContact O-N 3.27Å; F124-D126 PolarHBondContact O-N 2.92Å; F124-L127 HydrophobicContact CB-CB 4.32Å; F124-L127 VanDerWaalsContact O-CB 3.29Å; F124-L127 WeakPolarHBondContact O-CB 3.4Å; F124-L127 PolarHBondContact O-N 3.26Å; F124-L127 VanDerWaalsContact O-N 3.1Å; F124-V170 HydrophobicContact CE1-CG1 3.61Å; F124-V170 HydrophobicContact CZ-CG1 3.76Å; F124-Q173 HydrophobicContact CE2-CB 3.92Å; F124-Q173 HydrophobicContact CZ-CB 4.12Å; F124-L174 HydrophobicContact CB-CD1 4.04Å; F124-L174 HydrophobicContact CD1-CD1 4.19Å; F124-L174 HydrophobicContact CD2-CB 4.33Å; F124-L174 HydrophobicContact CD2-CD1 3.89Å; F124-L174 HydrophobicContact CE1-CB 4.33Å; F124-L174 HydrophobicContact CE2-CB 4.03Å; F124-L174 HydrophobicContact CE2-CD1 4.44Å; F124-L174 HydrophobicContact CG-CD1 3.77Å; F124-L174 HydrophobicContact CZ-CB 4.03Å; F124-K177 HydrophobicContact CD2-CD 3.94Å; F124-K177 HydrophobicContact CE2-CD 4.35Å; F124-K177 PolarHBondContact O-NZ 3.37Å
125E97.6Very high97.4Very high89 Ų8948.8 Ų48.842%0.41625%0.247SC..THydrogen-bonded Turntrans-54.4-41.9179.868-179.7-177.100111.4E121 K122 L127E121-E125 PolarHBondContact O-N 3.49Å; K122-E125 WeakPolarHBondContact CD-OE2 3.26Å; K122-E125 WeakPolarHBondContact CE-OE1 3.45Å; K122-E125 IonicContact NZ-OE1 3.73Å; K122-E125 PolarHBondContact NZ-OE1 3.39Å; K122-E125 IonicContact NZ-OE2 2.6Å; K122-E125 PolarHBondContact NZ-OE2 2.92Å; E125-L127 PolarHBondContact O-N 3.43Å
126D98.2Very high97.5Very high85 Ų8549.7 Ų49.746%0.45525%0.245SC..THydrogen-bonded Turntrans-88.57.5-178-73.1-41.8000114.6F124 Y128 S129 S130 I146F124-D126 PolarHBondContact O-N 2.92Å; D126-Y128 VanDerWaalsContact C-N 3.29Å; D126-Y128 PolarHBondContact O-N 2.67Å; D126-S129 VanDerWaalsContact CA-OG 3.3Å; D126-S129 WeakPolarHBondContact CA-OG 3.49Å; D126-S129 PolarHBondContact O-N 2.86Å; D126-S129 PolarHBondContact O-OG 3Å; D126-S129 PolarHBondContact OD1-OG 2.94Å; D126-S130 WeakPolarHBondContact O-CB 3.47Å; D126-S130 PolarHBondContact O-N 2.84Å; D126-S130 PolarHBondContact O-OG 2.93Å; D126-I146 HydrophobicContact CB-CD1 3.71Å; D126-I146 WeakPolarHBondContact O-CD1 3.28Å
127L98.6Very high97.5Very high0 Ų054.4 Ų54.40%026%0.258CS..Hα-helixtrans-62.4-37.2-177.6-177.958.7000112.3F124 E125 S130 L131 L143 I146 L147 L174 K177 L178 V181F124-L127 HydrophobicContact CB-CB 4.32Å; F124-L127 VanDerWaalsContact O-CB 3.29Å; F124-L127 WeakPolarHBondContact O-CB 3.4Å; F124-L127 PolarHBondContact O-N 3.26Å; F124-L127 VanDerWaalsContact O-N 3.1Å; E125-L127 PolarHBondContact O-N 3.43Å; L127-S130 WeakPolarHBondContact CA-OG 3.31Å; L127-S130 PolarHBondContact O-OG 2.88Å; L127-L131 WeakPolarHBondContact O-CB 3.14Å; L127-L131 PolarHBondContact O-N 3.36Å; L127-L143 HydrophobicContact CD1-CD1 3.62Å; L127-I146 HydrophobicContact CB-CG2 4.09Å; L127-I146 HydrophobicContact CD1-CG2 3.96Å; L127-L147 HydrophobicContact CD1-CD2 4.05Å; L127-L147 HydrophobicContact CD1-CG 4.39Å; L127-L174 HydrophobicContact CD2-CD1 4.18Å; L127-K177 HydrophobicContact CB-CD 4.35Å; L127-K177 HydrophobicContact CD2-CB 3.79Å; L127-K177 HydrophobicContact CG-CB 4.31Å; L127-L178 HydrophobicContact CD2-CD2 3.99Å; L127-L178 HydrophobicContact CD2-CG 4.28Å; L127-V181 HydrophobicContact CD1-CG2 3.95Å; L127-V181 HydrophobicContact CD2-CG2 4.48Å; L127-V181 HydrophobicContact CG-CG2 4.13Å
128Y98.2Very high97.6Very high80 Ų8058.9 Ų58.931%0.31428%0.282SS..Hα-helixtrans-73.4-42.1177.5173.6-102.2000112.5L27 D126 L131 M132 Y227 K230L27-Y128 HydrophobicContact CD1-CD2 3.34Å; L27-Y128 HydrophobicContact CD1-CE2 3.83Å; L27-Y128 HydrophobicContact CD1-CG 3.9Å; D126-Y128 VanDerWaalsContact C-N 3.29Å; D126-Y128 PolarHBondContact O-N 2.67Å; Y128-L131 PolarHBondContact O-N 3.35Å; Y128-M132 HydrophobicContact CD1-CG 4.3Å; Y128-M132 HydrophobicContact CD2-CG 4.39Å; Y128-M132 HydrophobicContact CE1-CG 3.8Å; Y128-M132 HydrophobicContact CE2-CG 3.92Å; Y128-M132 HydrophobicContact CE2-SD 4.01Å; Y128-M132 WeakPolarHBondContact O-CG 3.34Å; Y128-M132 PolarHBondContact O-N 2.91Å; Y128-Y227 HydrophobicContact CE2-CE1 4.39Å; Y128-K230 PolarHBondContact OH-NZ 2.86Å
129S98Very high97.6Very high50 Ų5055.7 Ų55.735%0.3528%0.277SS..Hα-helixtrans-64.6-41.7178.748.40000111D126 M132 Q133D126-S129 VanDerWaalsContact CA-OG 3.3Å; D126-S129 WeakPolarHBondContact CA-OG 3.49Å; D126-S129 PolarHBondContact O-N 2.86Å; D126-S129 PolarHBondContact O-OG 3Å; D126-S129 PolarHBondContact OD1-OG 2.94Å; S129-M132 PolarHBondContact O-N 3.02Å; S129-Q133 WeakPolarHBondContact O-CG 3.18Å; S129-Q133 PolarHBondContact O-N 3.41Å
130S98.4Very high97.6Very high0 Ų058.3 Ų58.30%028%0.277CS..Hα-helixtrans-65.4-39.3173.460.40000113.3D126 L127 M132 Q133 Y134 S142 I146D126-S130 WeakPolarHBondContact O-CB 3.47Å; D126-S130 PolarHBondContact O-N 2.84Å; D126-S130 PolarHBondContact O-OG 2.93Å; L127-S130 WeakPolarHBondContact CA-OG 3.31Å; L127-S130 PolarHBondContact O-OG 2.88Å; S130-M132 VanDerWaalsContact C-N 3.34Å; S130-M132 PolarHBondContact O-N 2.77Å; S130-Q133 PolarHBondContact O-N 3.24Å; S130-Y134 WeakPolarHBondContact O-CB 3.46Å; S130-Y134 PolarHBondContact O-N 3.03Å; S130-S142 WeakPolarHBondContact CB-OG 3.49Å; S130-I146 WeakPolarHBondContact OG-CD1 3.13Å
131L98.6Very high97.7Very high1 Ų162.6 Ų62.61%0.00530%0.303CS..Hα-helixtrans-59.8-44.8170.4174.662.1000111.3L127 Y128 Y134 I135 L143 H180 V181 Y227L127-L131 WeakPolarHBondContact O-CB 3.14Å; L127-L131 PolarHBondContact O-N 3.36Å; Y128-L131 PolarHBondContact O-N 3.35Å; L131-Y134 PolarHBondContact O-N 3.25Å; L131-I135 HydrophobicContact CD1-CD1 3.96Å; L131-I135 HydrophobicContact CD1-CG1 4.14Å; L131-I135 HydrophobicContact CG-CD1 3.88Å; L131-I135 HydrophobicContact CG-CG1 4.46Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 3.23Å; L131-L143 HydrophobicContact CD1-CD2 4.44Å; L131-H180 HydrophobicContact CD2-CB 4.1Å; L131-V181 HydrophobicContact CB-CG2 4.3Å; L131-V181 HydrophobicContact CD1-CG2 4.32Å; L131-V181 HydrophobicContact CD2-CG2 3.99Å; L131-V181 HydrophobicContact CG-CG2 4.43Å; L131-Y227 HydrophobicContact CD2-CE1 4.46Å; L131-Y227 WeakPolarHBondContact CD2-OH 3.49Å
132M98.1Very high97.7Very high32 Ų3262.3 Ų62.316%0.15831%0.307CS..Hα-helixtrans-63.1-42.7177.7-73.1-57.9-48.500111.7Y128 S129 S130 Y134 I135 M136 Y227 K230Y128-M132 HydrophobicContact CD1-CG 4.3Å; Y128-M132 HydrophobicContact CD2-CG 4.39Å; Y128-M132 HydrophobicContact CE1-CG 3.8Å; Y128-M132 HydrophobicContact CE2-CG 3.92Å; Y128-M132 HydrophobicContact CE2-SD 4.01Å; Y128-M132 WeakPolarHBondContact O-CG 3.34Å; Y128-M132 PolarHBondContact O-N 2.91Å; S129-M132 PolarHBondContact O-N 3.02Å; S130-M132 VanDerWaalsContact C-N 3.34Å; S130-M132 PolarHBondContact O-N 2.77Å; M132-Y134 VanDerWaalsContact C-N 3.32Å; M132-Y134 PolarHBondContact O-N 2.97Å; M132-I135 PolarHBondContact O-N 2.91Å; M132-M136 WeakPolarHBondContact O-CB 3.44Å; M132-M136 WeakPolarHBondContact O-CG 3.37Å; M132-M136 PolarHBondContact O-N 2.82Å; M132-Y227 HydrophobicContact SD-CD1 3.99Å; M132-Y227 HydrophobicContact SD-CE1 3.57Å; M132-Y227 VanDerWaalsContact SD-CE1 3.57Å; M132-K230 HydrophobicContact CE-CB 4.46Å; M132-K230 HydrophobicContact CE-CD 3.78Å; M132-K230 HydrophobicContact SD-CD 4.2Å
133Q97.6Very high97.7Very high100 Ų10056.1 Ų56.147%0.46728%0.28SS..Hα-helixtrans-59-45.1173.7-74.9179.2-17.400111.4S129 S130 M136 Y137S129-Q133 WeakPolarHBondContact O-CG 3.18Å; S129-Q133 PolarHBondContact O-N 3.41Å; S130-Q133 PolarHBondContact O-N 3.24Å; Q133-M136 PolarHBondContact O-N 2.7Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.43Å; Q133-Y137 PolarHBondContact O-N 3.03Å
134Y98Very high97.8Very high11 Ų1155.9 Ų55.94%0.04328%0.28CS..Hα-helixtrans-62.2-47.9177.7-179.4-135.4000111.8S130 L131 M132 M136 Y137 D138 D139 K140 L143 H189 F191S130-Y134 WeakPolarHBondContact O-CB 3.46Å; S130-Y134 PolarHBondContact O-N 3.03Å; L131-Y134 PolarHBondContact O-N 3.25Å; M132-Y134 VanDerWaalsContact C-N 3.32Å; M132-Y134 PolarHBondContact O-N 2.97Å; Y134-M136 VanDerWaalsContact C-N 3.28Å; Y134-M136 PolarHBondContact O-N 2.87Å; Y134-Y137 PolarHBondContact O-N 3.15Å; Y134-D138 VanDerWaalsContact CE2-OD1 3.23Å; Y134-D138 WeakPolarHBondContact CE2-OD1 3.38Å; Y134-D138 VanDerWaalsContact O-CA 3.32Å; Y134-D138 WeakPolarHBondContact O-CA 3.35Å; Y134-D138 PolarHBondContact O-N 2.91Å; Y134-D139 WeakPolarHBondContact CA-O 3.46Å; Y134-D139 VanDerWaalsContact CD2-C 3.43Å; Y134-D139 WeakPolarHBondContact CD2-O 3.48Å; Y134-K140 HydrophobicContact CD2-CB 3.78Å; Y134-K140 HydrophobicContact CE2-CB 3.64Å; Y134-K140 HydrophobicContact CG-CB 4.33Å; Y134-L143 HydrophobicContact CD1-CD2 3.62Å; Y134-L143 HydrophobicContact CE1-CD2 4.36Å; Y134-L143 HydrophobicContact CG-CD2 4.14Å; Y134-H189 AromaticContact CD2-CD2 3.94Å; Y134-H189 HydrophobicContact CE1-CB 4.03Å; Y134-H189 AromaticContact CE1-CD2 3.77Å; Y134-H189 HydrophobicContact CE2-CB 4.23Å; Y134-H189 AromaticContact CE2-CD2 3.61Å; Y134-H189 AromaticContact CZ-CD2 3.54Å; Y134-H189 AromaticContact CZ-CG 3.84Å; Y134-H189 PolarHBondContact O-CD2 2.93Å; Y134-H189 PolarHBondContact O-NE2 3.44Å; Y134-H189 WeakPolarHBondContact OH-CB 3.42Å; Y134-F191 HydrophobicContact CE1-CB 3.58Å; Y134-F191 HydrophobicContact CE1-CD1 4.03Å; Y134-F191 HydrophobicContact CE1-CD2 4.2Å; Y134-F191 AromaticContact CE1-CG 3.67Å; Y134-F191 HydrophobicContact CE1-CG 3.67Å; Y134-F191 WeakPolarHBondContact OH-CB 3.35Å
135I98Very high97.8Very high1 Ų159.1 Ų59.11%0.00530%0.3CS..Hα-helixtrans-55.8-45.5175.5-71.1168.8000110.2L131 M132 A184 Y188 H189 Y227 K231L131-I135 HydrophobicContact CD1-CD1 3.96Å; L131-I135 HydrophobicContact CD1-CG1 4.14Å; L131-I135 HydrophobicContact CG-CD1 3.88Å; L131-I135 HydrophobicContact CG-CG1 4.46Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 3.23Å; M132-I135 PolarHBondContact O-N 2.91Å; I135-A184 HydrophobicContact CD1-CB 3.75Å; I135-Y188 HydrophobicContact CD1-CD2 4.35Å; I135-Y188 HydrophobicContact CD1-CE2 4.45Å; I135-Y188 HydrophobicContact CG1-CD2 4.05Å; I135-Y188 HydrophobicContact CG1-CG 4.4Å; I135-Y188 HydrophobicContact CG2-CD1 4.02Å; I135-Y188 HydrophobicContact CG2-CD2 4.04Å; I135-Y188 HydrophobicContact CG2-CE1 4.02Å; I135-Y188 HydrophobicContact CG2-CE2 4.06Å; I135-Y188 HydrophobicContact CG2-CG 4.03Å; I135-H189 PolarHBondContact O-NE2 3.33Å; I135-Y227 HydrophobicContact CD1-CD1 3.48Å; I135-Y227 VanDerWaalsContact CD1-CD1 3.48Å; I135-Y227 HydrophobicContact CD1-CE1 3.53Å; I135-Y227 HydrophobicContact CD1-CG 4.22Å; I135-K231 HydrophobicContact CG2-CB 4.14Å; I135-K231 HydrophobicContact CG2-CD 3.81Å; I135-K231 WeakPolarHBondContact O-CD 3.38Å; I135-K231 WeakPolarHBondContact O-CE 3.13Å; I135-K231 PolarHBondContact O-NZ 3.3Å
136M97.2Very high97.9Very high79 Ų7955.7 Ų55.739%0.38928%0.284SS..Hα-helixtrans-71.2-44.7-175.5-68.5-56.1-67.700113.4M132 Q133 Y134 K231M132-M136 WeakPolarHBondContact O-CB 3.44Å; M132-M136 WeakPolarHBondContact O-CG 3.37Å; M132-M136 PolarHBondContact O-N 2.82Å; Q133-M136 PolarHBondContact O-N 2.7Å; Y134-M136 VanDerWaalsContact C-N 3.28Å; Y134-M136 PolarHBondContact O-N 2.87Å; M136-K231 PolarHBondContact O-NZ 3.38Å; M136-K231 HydrophobicContact SD-CB 3.95Å; M136-K231 HydrophobicContact SD-CD 4Å; M136-K231 HydrophobicContact SD-CG 4.38Å
137Y96.7Very high97.9Very high178 Ų17851.7 Ų51.770%0.69826%0.262SS*.Hα-helixtrans-118.6-2.3-164.6-53.5-64.9000115.2Q133 Y134 D139Q133-Y137 WeakPolarHBondContact O-CD2 3.43Å; Q133-Y137 PolarHBondContact O-N 3.03Å; Y134-Y137 PolarHBondContact O-N 3.15Å; Y137-D139 PolarHBondContact O-N 3.12Å
138D96.4Very high97.9Very high99 Ų9954.3 Ų54.353%0.52928%0.281SS..  trans57.429.1-174.5-16322.9000113.5Y134 H189Y134-D138 VanDerWaalsContact CE2-OD1 3.23Å; Y134-D138 WeakPolarHBondContact CE2-OD1 3.38Å; Y134-D138 VanDerWaalsContact O-CA 3.32Å; Y134-D138 WeakPolarHBondContact O-CA 3.35Å; Y134-D138 PolarHBondContact O-N 2.91Å; D138-H189 IonicContact OD1-CD2 2.69Å; D138-H189 IonicContact OD1-CE1 3.27Å; D138-H189 IonicContact OD1-CG 3.38Å; D138-H189 IonicContact OD1-ND1 3.81Å; D138-H189 PolarHBondContact OD1-ND1 3.05Å; D138-H189 IonicContact OD1-NE2 3.83Å
139D96.6Very high97.9Very high86 Ų8654.9 Ų54.946%0.4629%0.289SS..  trans-102.9106.7170.5-177.41.5000110.5Y134 Y137 T141Y134-D139 WeakPolarHBondContact CA-O 3.46Å; Y134-D139 VanDerWaalsContact CD2-C 3.43Å; Y134-D139 WeakPolarHBondContact CD2-O 3.48Å; Y137-D139 PolarHBondContact O-N 3.12Å; D139-T141 WeakPolarHBondContact OD1-CB 3.26Å; D139-T141 PolarHBondContact OD1-N 3.44Å; D139-T141 PolarHBondContact OD1-OG1 3.32Å
140K96.9Very high97.8Very high113 Ų11352.5 Ų52.549%0.49127%0.273SS..  trans-86.6-1.9-179.666.9-177.1178.5-176.60114Y134 S142 L143 C144 F191Y134-K140 HydrophobicContact CD2-CB 3.78Å; Y134-K140 HydrophobicContact CE2-CB 3.64Å; Y134-K140 HydrophobicContact CG-CB 4.33Å; K140-S142 PolarHBondContact O-N 2.8Å; K140-L143 PolarHBondContact O-N 3.3Å; K140-C144 WeakPolarHBondContact O-CB 3.3Å; K140-C144 PolarHBondContact O-N 3.19Å; K140-C144 PolarHBondContact O-SG 3.35Å; K140-F191 HydrophobicContact CD-CD2 4.47Å; K140-F191 HydrophobicContact CD-CE2 4.49Å
141T97.8Very high97.8Very high91 Ų9153.6 Ų53.656%0.55828%0.278SS*.Hα-helixtrans-59.4-50.7-169.1-53.50000112.2D139 T145D139-T141 WeakPolarHBondContact OD1-CB 3.26Å; D139-T141 PolarHBondContact OD1-N 3.44Å; D139-T141 PolarHBondContact OD1-OG1 3.32Å; T141-T145 WeakPolarHBondContact O-CB 3.48Å; T141-T145 PolarHBondContact O-N 3.06Å; T141-T145 PolarHBondContact O-OG1 2.94Å
142S97.9Very high97.7Very high43 Ų4356.9 Ų56.930%0.30130%0.302SS..Hα-helixtrans-62.9-45.3177.6-178.10000111.8S130 K140 T145 I146S130-S142 WeakPolarHBondContact CB-OG 3.49Å; K140-S142 PolarHBondContact O-N 2.8Å; S142-T145 PolarHBondContact O-N 2.8Å; S142-I146 WeakPolarHBondContact O-CG1 3.33Å; S142-I146 PolarHBondContact O-N 3.28Å
143L98.6Very high97.7Very high0 Ų058 Ų580%031%0.305CS..Hα-helixtrans-60.5-49.3179178.460.4000111.7L127 L131 Y134 K140 T145 I146 L147 V181 F191L127-L143 HydrophobicContact CD1-CD1 3.62Å; L131-L143 HydrophobicContact CD1-CD2 4.44Å; Y134-L143 HydrophobicContact CD1-CD2 3.62Å; Y134-L143 HydrophobicContact CE1-CD2 4.36Å; Y134-L143 HydrophobicContact CG-CD2 4.14Å; K140-L143 PolarHBondContact O-N 3.3Å; L143-T145 VanDerWaalsContact C-N 3.3Å; L143-T145 PolarHBondContact O-N 3.42Å; L143-I146 PolarHBondContact O-N 2.95Å; L143-L147 HydrophobicContact CD1-CD1 4.12Å; L143-L147 HydrophobicContact CD1-CG 4.25Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 VanDerWaalsContact O-CG 3.28Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.48Å; L143-V181 HydrophobicContact CD1-CG1 4.34Å; L143-V181 HydrophobicContact CD1-CG2 4.09Å; L143-V181 HydrophobicContact CD2-CG1 4.44Å; L143-F191 HydrophobicContact CD2-CD1 4.34Å; L143-F191 HydrophobicContact CD2-CE1 3.8Å; L143-F191 HydrophobicContact CD2-CZ 4.12Å
144C98.4Very high97.6Very high31 Ų3153.9 Ų53.921%0.20929%0.285CS..Hα-helixtrans-63.6-35.1177.9-73.70000112.4K140 S148K140-C144 WeakPolarHBondContact O-CB 3.3Å; K140-C144 PolarHBondContact O-N 3.19Å; K140-C144 PolarHBondContact O-SG 3.35Å; C144-S148 VanDerWaalsContact O-CB 3.31Å; C144-S148 WeakPolarHBondContact O-CB 3.36Å; C144-S148 PolarHBondContact O-N 2.83Å
145T98.4Very high97.5Very high72 Ų7255.4 Ų55.444%0.44230%0.3SS..Hα-helixtrans-64.8-47.7177.2-59.60000110.5T141 S142 L143 S148 N149T141-T145 WeakPolarHBondContact O-CB 3.48Å; T141-T145 PolarHBondContact O-N 3.06Å; T141-T145 PolarHBondContact O-OG1 2.94Å; S142-T145 PolarHBondContact O-N 2.8Å; L143-T145 VanDerWaalsContact C-N 3.3Å; L143-T145 PolarHBondContact O-N 3.42Å; T145-S148 PolarHBondContact O-N 3.48Å; T145-N149 VanDerWaalsContact O-CG 3.28Å; T145-N149 PolarHBondContact O-N 2.84Å
146I98.5Very high97.1Very high18 Ų1860.1 Ų60.19%0.09233%0.333CS..Hα-helixtrans-64.4-43.2177.8-67.5162.3000110.9D126 L127 S130 S142 L143 S148 N149 L150D126-I146 HydrophobicContact CB-CD1 3.71Å; D126-I146 WeakPolarHBondContact O-CD1 3.28Å; L127-I146 HydrophobicContact CB-CG2 4.09Å; L127-I146 HydrophobicContact CD1-CG2 3.96Å; S130-I146 WeakPolarHBondContact OG-CD1 3.13Å; S142-I146 WeakPolarHBondContact O-CG1 3.33Å; S142-I146 PolarHBondContact O-N 3.28Å; L143-I146 PolarHBondContact O-N 2.95Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 2.81Å; I146-N149 PolarHBondContact O-N 2.8Å; I146-L150 WeakPolarHBondContact O-CB 3.45Å; I146-L150 PolarHBondContact O-N 2.85Å
147L98.8Very high95.7Very high0 Ų057.1 Ų57.10%032%0.322CS..Hα-helixtrans-62.3-39.2175.3-69.3171.8000111.8L127 L143 L150 N151 L178 V181 F191 M197 I200L127-L147 HydrophobicContact CD1-CD2 4.05Å; L127-L147 HydrophobicContact CD1-CG 4.39Å; L143-L147 HydrophobicContact CD1-CD1 4.12Å; L143-L147 HydrophobicContact CD1-CG 4.25Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 VanDerWaalsContact O-CG 3.28Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.48Å; L147-L150 PolarHBondContact O-N 3.27Å; L147-N151 WeakPolarHBondContact O-CB 3.33Å; L147-N151 PolarHBondContact O-N 3.34Å; L147-L178 HydrophobicContact CD2-CD2 3.8Å; L147-V181 HydrophobicContact CD1-CG1 4.45Å; L147-F191 HydrophobicContact CD1-CE1 4.28Å; L147-F191 HydrophobicContact CD1-CZ 3.94Å; L147-M197 HydrophobicContact CB-CE 3.84Å; L147-M197 HydrophobicContact CB-SD 3.58Å; L147-M197 VanDerWaalsContact CB-SD 3.58Å; L147-I200 HydrophobicContact CB-CD1 4.2Å; L147-I200 HydrophobicContact CD2-CD1 4.01Å; L147-I200 VanDerWaalsContact O-CD1 3.26Å; L147-I200 WeakPolarHBondContact O-CD1 3.37Å
148S98.4Very high94.1Very high55 Ų5554 Ų5439%0.38533%0.332SS..Hα-helixtrans-67.1-41177.3-157.50000112.3C144 T145 I146 N151 S152C144-S148 VanDerWaalsContact O-CB 3.31Å; C144-S148 WeakPolarHBondContact O-CB 3.36Å; C144-S148 PolarHBondContact O-N 2.83Å; T145-S148 PolarHBondContact O-N 3.48Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 2.81Å; S148-N151 PolarHBondContact O-N 2.89Å; S148-S152 PolarHBondContact O-N 3.39Å; S148-S152 PolarHBondContact O-OG 3.29Å
149N97.6Very high93.5Very high92 Ų9254.2 Ų54.249%0.49233%0.328SS..Hα-helixtrans-63-43.9173.9-69-14.7000111.4T145 I146 S152 Y153T145-N149 VanDerWaalsContact O-CG 3.28Å; T145-N149 PolarHBondContact O-N 2.84Å; I146-N149 PolarHBondContact O-N 2.8Å; N149-S152 PolarHBondContact O-N 3.07Å; N149-Y153 PolarHBondContact O-N 3.42Å
150L97.9Very high93.3Very high1 Ų152.3 Ų52.31%0.00532%0.321CS..Hα-helixtrans-62.3-43.8175.2176.764.1000111.9V123 I146 L147 S152 Y153 L154 L174 L178 I200V123-L150 HydrophobicContact CG1-CB 4.17Å; V123-L150 HydrophobicContact CG1-CD1 4.21Å; I146-L150 WeakPolarHBondContact O-CB 3.45Å; I146-L150 PolarHBondContact O-N 2.85Å; L147-L150 PolarHBondContact O-N 3.27Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.34Å; L150-Y153 WeakPolarHBondContact O-CB 3.35Å; L150-Y153 PolarHBondContact O-N 3.47Å; L150-L154 HydrophobicContact CD1-CD1 4.18Å; L150-L154 HydrophobicContact CD1-CG 4.17Å; L150-L154 HydrophobicContact CG-CD1 4.07Å; L150-L154 HydrophobicContact CG-CG 4.46Å; L150-L154 WeakPolarHBondContact O-CG 3.22Å; L150-L154 PolarHBondContact O-N 3.06Å; L150-L174 HydrophobicContact CD1-CD1 4.31Å; L150-L174 HydrophobicContact CD1-CD2 3.87Å; L150-L174 HydrophobicContact CD2-CD1 3.71Å; L150-L174 HydrophobicContact CD2-CD2 4.29Å; L150-L178 HydrophobicContact CD2-CD1 4.27Å; L150-L178 HydrophobicContact CD2-CD2 4.03Å; L150-L178 HydrophobicContact CD2-CG 4.48Å; L150-I200 HydrophobicContact CB-CD1 4.31Å; L150-I200 HydrophobicContact CD2-CD1 4Å; L150-I200 HydrophobicContact CD2-CG1 4.29Å; L150-I200 HydrophobicContact CG-CD1 4.17Å; L150-I200 HydrophobicContact CG-CG1 4.28Å
151N97.8Very high93.3Very high22 Ų2248.8 Ų48.812%0.11831%0.305CS..Hα-helixtrans-59.7-42.7176.5-174.968.7000111.3L147 S148 L154 A155 M197 D198 H199 I200L147-N151 WeakPolarHBondContact O-CB 3.33Å; L147-N151 PolarHBondContact O-N 3.34Å; S148-N151 PolarHBondContact O-N 2.89Å; N151-L154 PolarHBondContact O-N 3.45Å; N151-A155 WeakPolarHBondContact O-CB 3.42Å; N151-A155 PolarHBondContact O-N 3.31Å; N151-M197 HydrophobicContact CB-CB 4.21Å; N151-M197 HydrophobicContact CB-CG 4.31Å; N151-M197 WeakPolarHBondContact OD1-CA 3.43Å; N151-M197 PolarHBondContact OD1-O 2.73Å; N151-D198 PolarHBondContact OD1-N 3.01Å; N151-H199 WeakPolarHBondContact OD1-CB 2.97Å; N151-H199 PolarHBondContact OD1-N 3.38Å; N151-I200 HydrophobicContact CB-CD1 4Å; N151-I200 HydrophobicContact CB-CG1 4Å; N151-I200 PolarHBondContact OD1-N 3.21Å
152S97Very high93.2Very high70 Ų7044.5 Ų44.549%0.4928%0.278SS..Hα-helixtrans-65.2-39.9176.4-56.80000112.3S148 N149 L150 A155 S156S148-S152 PolarHBondContact O-N 3.39Å; S148-S152 PolarHBondContact O-OG 3.29Å; N149-S152 PolarHBondContact O-N 3.07Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 3.34Å; S152-A155 WeakPolarHBondContact O-CB 3.43Å; S152-A155 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-N 3.49Å
153Y96.6Very high93.1Very high57 Ų5743 Ų4322%0.22427%0.267CS..Hα-helixtrans-60.9-49.8173.8173.5-95.2000111.5A120 V123 N149 L150 A155 S156 A162A120-Y153 HydrophobicContact CB-CE1 4.32Å; A120-Y153 HydrophobicContact CB-CE2 4.33Å; A120-Y153 WeakPolarHBondContact CB-OH 3.37Å; V123-Y153 HydrophobicContact CG1-CG 4.36Å; V123-Y153 HydrophobicContact CG2-CD2 3.86Å; V123-Y153 HydrophobicContact CG2-CE2 4.44Å; V123-Y153 HydrophobicContact CG2-CG 4.05Å; N149-Y153 PolarHBondContact O-N 3.42Å; L150-Y153 WeakPolarHBondContact O-CB 3.35Å; L150-Y153 PolarHBondContact O-N 3.47Å; Y153-A155 VanDerWaalsContact C-N 3.26Å; Y153-A155 PolarHBondContact O-N 3.35Å; Y153-S156 PolarHBondContact O-N 3.25Å; Y153-S156 PolarHBondContact O-OG 3.37Å; Y153-A162 WeakPolarHBondContact CE1-O 3.44Å
154L96.5Very high92.8Very high12 Ų1243.3 Ų43.36%0.06327%0.27CS..Hα-helixtrans-64.4-30.3178-67172.4000112.3L150 N151 A157 A162 H199 I200 Y203L150-L154 HydrophobicContact CD1-CD1 4.18Å; L150-L154 HydrophobicContact CD1-CG 4.17Å; L150-L154 HydrophobicContact CG-CD1 4.07Å; L150-L154 HydrophobicContact CG-CG 4.46Å; L150-L154 WeakPolarHBondContact O-CG 3.22Å; L150-L154 PolarHBondContact O-N 3.06Å; N151-L154 PolarHBondContact O-N 3.45Å; L154-A157 PolarHBondContact O-N 3.34Å; L154-A162 HydrophobicContact CD2-CB 4.28Å; L154-H199 HydrophobicContact CB-CB 3.76Å; L154-I200 HydrophobicContact CD1-CG1 3.93Å; L154-Y203 HydrophobicContact CD1-CG 4.21Å; L154-Y203 HydrophobicContact CD2-CD2 4.3Å
155A95Very high92.5Very high43 Ų4346.5 Ų46.536%0.35529%0.293SS..Hα-helixtrans-64.7-38.8174.600000112.8N151 S152 Y153 A157 H199N151-A155 WeakPolarHBondContact O-CB 3.42Å; N151-A155 PolarHBondContact O-N 3.31Å; S152-A155 WeakPolarHBondContact O-CB 3.43Å; S152-A155 PolarHBondContact O-N 2.91Å; Y153-A155 VanDerWaalsContact C-N 3.26Å; Y153-A155 PolarHBondContact O-N 3.35Å; A155-A157 PolarHBondContact O-N 2.9Å; A155-H199 WeakPolarHBondContact CB-CD2 3.41Å; A155-H199 WeakPolarHBondContact CB-NE2 3.45Å
156S90.1Very high92.3Very high100 Ų10047.4 Ų47.470%0.69929%0.292SS*.Hα-helixtrans-67.4-19.8-177.775.40000113.5S152 Y153S152-S156 PolarHBondContact O-N 3.49Å; Y153-S156 PolarHBondContact O-N 3.25Å; Y153-S156 PolarHBondContact O-OG 3.37Å
157A68.1Low92.2Very high17 Ų1747.2 Ų47.214%0.1429%0.291CS..SBendtrans-113.3100-178.300000108.2L154 A155 K159L154-A157 PolarHBondContact O-N 3.34Å; A155-A157 PolarHBondContact O-N 2.9Å; A157-K159 HydrophobicContact CB-CB 4.41Å; A157-K159 HydrophobicContact CB-CD 3.92Å; A157-K159 HydrophobicContact CB-CG 4.09Å; A157-K159 PolarHBondContact O-N 2.9Å
158A62.8Low92.1Very high112 Ų11247.2 Ų47.293%0.92629%0.291SS*.  trans-66.368.817700000111.8
159K84.1Confident92.1Very high103 Ų10344.6 Ų44.645%0.44827%0.273SS..SBendtrans-142.8143.6-162.8-62-174.9-171.7172.50110A157 Y161 M163A157-K159 HydrophobicContact CB-CB 4.41Å; A157-K159 HydrophobicContact CB-CD 3.92Å; A157-K159 HydrophobicContact CB-CG 4.09Å; A157-K159 PolarHBondContact O-N 2.9Å; K159-Y161 VanDerWaalsContact C-N 3.29Å; K159-Y161 PolarHBondContact O-N 3.1Å; K159-M163 PolarHBondContact NZ-O 3.37Å
160P93.2Very high92.1Very high46 Ų4640.3 Ų40.330%0.29925%0.25SC..SBendtrans-69.6-25.8178.526.4-34000113.7G164 N206P160-G164 WeakPolarHBondContact CD-O 3.43Å; P160-N206 WeakPolarHBondContact CA-ND2 3.3Å; P160-N206 HydrophobicContact CB-CB 4.28Å; P160-N206 WeakPolarHBondContact CB-ND2 3.16Å; P160-N206 PolarHBondContact O-ND2 3.03Å
161Y96.7Very high92.1Very high39 Ų3940.2 Ų40.215%0.15325%0.25CC..SBendtrans-123171-179.3-48.3-66.5000111.2K159 M163 G164 S165 D171 N206 I207 L210K159-Y161 VanDerWaalsContact C-N 3.29Å; K159-Y161 PolarHBondContact O-N 3.1Å; Y161-M163 VanDerWaalsContact C-N 3.26Å; Y161-M163 PolarHBondContact O-N 3.48Å; Y161-M163 VanDerWaalsContact O-N 3.15Å; Y161-G164 PolarHBondContact N-O 3Å; Y161-S165 VanDerWaalsContact CE2-O 3.31Å; Y161-S165 WeakPolarHBondContact CE2-O 3.41Å; Y161-D171 WeakPolarHBondContact CB-OD2 3.33Å; Y161-N206 HydrophobicContact CD1-CB 4.46Å; Y161-N206 HydrophobicContact CE1-CB 3.98Å; Y161-I207 HydrophobicContact CD1-CD1 3.98Å; Y161-I207 HydrophobicContact CE1-CD1 4.41Å; Y161-L210 HydrophobicContact CD1-CD1 4.43Å; Y161-L210 HydrophobicContact CE1-CD1 3.74Å; Y161-L210 HydrophobicContact CE1-CD2 4.35Å; Y161-L210 HydrophobicContact CE1-CG 4.21Å; Y161-L210 WeakPolarHBondContact OH-CD2 3.49Å
162A96Very high92.2Very high1 Ų139.2 Ų39.21%0.00824%0.244CC..SBendtrans-59.5-35.9-167.600000113.2Y153 L154 V170 D171 L174 Y203Y153-A162 WeakPolarHBondContact CE1-O 3.44Å; L154-A162 HydrophobicContact CD2-CB 4.28Å; A162-V170 HydrophobicContact CB-CG1 4.09Å; A162-D171 WeakPolarHBondContact CB-OD1 3.25Å; A162-D171 PolarHBondContact N-OD1 3.26Å; A162-L174 HydrophobicContact CB-CD2 4.38Å; A162-Y203 HydrophobicContact CB-CE2 4.24Å
163M94.5Very high92.2Very high12 Ų1237 Ų376%0.05923%0.226CC..SBendtrans-118.4-7.3-175.9-62.6-161.778.400114.6L112 D116 V117 A120 K159 Y161 V170L112-M163 HydrophobicContact CD1-CB 4.1Å; L112-M163 HydrophobicContact CD1-CE 4.29Å; L112-M163 HydrophobicContact CD1-SD 3.82Å; L112-M163 HydrophobicContact CD2-CB 4.06Å; L112-M163 HydrophobicContact CD2-CE 4.11Å; D116-M163 HydrophobicContact CB-CE 4.04Å; V117-M163 HydrophobicContact CB-CE 4.34Å; V117-M163 HydrophobicContact CB-SD 4.37Å; V117-M163 HydrophobicContact CG2-CE 3.81Å; V117-M163 HydrophobicContact CG2-SD 3.85Å; A120-M163 HydrophobicContact CB-CE 4.37Å; A120-M163 HydrophobicContact CB-CG 4.34Å; A120-M163 HydrophobicContact CB-SD 4.22Å; K159-M163 PolarHBondContact NZ-O 3.37Å; Y161-M163 VanDerWaalsContact C-N 3.26Å; Y161-M163 PolarHBondContact O-N 3.48Å; Y161-M163 VanDerWaalsContact O-N 3.15Å; M163-V170 HydrophobicContact CG-CB 4.14Å; M163-V170 HydrophobicContact CG-CG1 4.39Å; M163-V170 HydrophobicContact CG-CG2 4.22Å; M163-V170 HydrophobicContact SD-CB 3.95Å; M163-V170 HydrophobicContact SD-CG2 3.39Å; M163-V170 WeakPolarHBondContact SD-CG2 3.41Å
164G92.3Very high92.3Very high7 Ų734.3 Ų34.37%0.07222%0.216CC..SBendtrans-165.1169.9-160.900000115.9P160 Y161P160-G164 WeakPolarHBondContact CD-O 3.43Å; Y161-G164 PolarHBondContact N-O 3Å
165S93.3Very high92.4Very high98 Ų9833.8 Ų33.869%0.68521%0.213SC*.SBendtrans-69.1-13.2155.753.70000112.6Y161Y161-S165 VanDerWaalsContact CE2-O 3.31Å; Y161-S165 WeakPolarHBondContact CE2-O 3.41Å
166E93.4Very high92.6Very high91 Ų9131.8 Ų31.843%0.42520%0.196SC..SBendtrans-117.8150.1176.3-58.3-170.5141.300110.3
167I96.4Very high93Very high14 Ų1428.9 Ų28.97%0.07217%0.171CC..  trans-60.7136.4173-167.1168.7000110.6M34 C38 D171 L210M34-I167 HydrophobicContact CE-CD1 3.4Å; M34-I167 VanDerWaalsContact CE-CD1 3.4Å; C38-I167 VanDerWaalsContact SG-CD1 3.6Å; I167-D171 WeakPolarHBondContact CA-OD2 3.26Å; I167-D171 HydrophobicContact CD1-CB 4.29Å; I167-D171 HydrophobicContact CG1-CB 3.67Å; I167-L210 HydrophobicContact CB-CD1 4.43Å; I167-L210 HydrophobicContact CD1-CD1 3.47Å; I167-L210 VanDerWaalsContact CD1-CD1 3.47Å; I167-L210 HydrophobicContact CG1-CD1 4.29Å
168S96.9Very high94.5Very high0 Ų028.1 Ų28.10%016%0.164CC..  trans-116.4173.7174.177.60000111.9D107 V170 D171 C172D107-S168 CarbonylContact O-C 3.17Å; D107-S168 WeakPolarHBondContact O-CA 3.27Å; S168-V170 PolarHBondContact O-N 2.94Å; S168-V170 WeakPolarHBondContact OG-CB 3.44Å; S168-V170 PolarHBondContact OG-N 3.1Å; S168-D171 PolarHBondContact N-OD2 3.48Å; S168-D171 WeakPolarHBondContact O-CB 3.43Å; S168-D171 PolarHBondContact O-N 3.15Å; S168-D171 VanDerWaalsContact O-N 3.15Å; S168-D171 PolarHBondContact OG-OD2 3.21Å; S168-C172 PolarHBondContact O-N 3.19Å; S168-C172 PolarHBondContact O-SG 3.39Å
169Y97.8Very high96.2Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-61-31.9172.8-176-115.7000112.9Q31 T35 T93 L96 E97 L100 D107 D171 C172 Q173Q31-Y169 VanDerWaalsContact NE2-CZ 3.29Å; Q31-Y169 PolarHBondContact NE2-OH 2.83Å; T35-Y169 HydrophobicContact CG2-CD2 3.95Å; T35-Y169 HydrophobicContact CG2-CE2 4.17Å; T93-Y169 WeakPolarHBondContact CG2-OH 3.32Å; L96-Y169 HydrophobicContact CD2-CE2 4.29Å; E97-Y169 HydrophobicContact CG-CE1 4.06Å; E97-Y169 VanDerWaalsContact OE1-CE1 3.3Å; E97-Y169 WeakPolarHBondContact OE1-CE1 3.41Å; E97-Y169 PolarHBondContact OE1-OH 3.33Å; L100-Y169 HydrophobicContact CD1-CD2 4.13Å; L100-Y169 HydrophobicContact CD1-CE2 4.48Å; D107-Y169 PolarHBondContact O-N 3.37Å; Y169-D171 VanDerWaalsContact C-N 3.28Å; Y169-D171 PolarHBondContact O-N 3.3Å; Y169-C172 WeakPolarHBondContact O-CA 3.44Å; Y169-C172 WeakPolarHBondContact O-CB 3.43Å; Y169-C172 PolarHBondContact O-N 3.48Å; Y169-Q173 PolarHBondContact O-N 3.47Å
170V97.7Very high96.9Very high1 Ų117.9 Ų17.91%0.00610%0.099CC..Hα-helixtrans-60.9-37.5173.91760000111.3V117 A120 E121 F124 A162 M163 S168 C172 Q173 L174V117-V170 HydrophobicContact CG1-CG2 3.81Å; A120-V170 HydrophobicContact CB-CG1 4.02Å; A120-V170 HydrophobicContact CB-CG2 4.35Å; E121-V170 HydrophobicContact CG-CG2 4.09Å; F124-V170 HydrophobicContact CE1-CG1 3.61Å; F124-V170 HydrophobicContact CZ-CG1 3.76Å; A162-V170 HydrophobicContact CB-CG1 4.09Å; M163-V170 HydrophobicContact CG-CB 4.14Å; M163-V170 HydrophobicContact CG-CG1 4.39Å; M163-V170 HydrophobicContact CG-CG2 4.22Å; M163-V170 HydrophobicContact SD-CB 3.95Å; M163-V170 HydrophobicContact SD-CG2 3.39Å; M163-V170 WeakPolarHBondContact SD-CG2 3.41Å; S168-V170 PolarHBondContact O-N 2.94Å; S168-V170 WeakPolarHBondContact OG-CB 3.44Å; S168-V170 PolarHBondContact OG-N 3.1Å; V170-C172 VanDerWaalsContact C-N 3.31Å; V170-C172 PolarHBondContact O-N 3.07Å; V170-Q173 WeakPolarHBondContact O-CB 3.36Å; V170-Q173 PolarHBondContact O-N 3.29Å; V170-L174 WeakPolarHBondContact O-CB 3.48Å; V170-L174 PolarHBondContact O-N 3.31Å
171D98.4Very high97.2Very high0 Ų015.7 Ų15.70%09%0.085CC..Hα-helixtrans-65-38.2174.8-62.6-58.8000112Y161 A162 I167 S168 Y169 Q173 L174 A175 Y203 I207Y161-D171 WeakPolarHBondContact CB-OD2 3.33Å; A162-D171 WeakPolarHBondContact CB-OD1 3.25Å; A162-D171 PolarHBondContact N-OD1 3.26Å; I167-D171 WeakPolarHBondContact CA-OD2 3.26Å; I167-D171 HydrophobicContact CD1-CB 4.29Å; I167-D171 HydrophobicContact CG1-CB 3.67Å; S168-D171 PolarHBondContact N-OD2 3.48Å; S168-D171 WeakPolarHBondContact O-CB 3.43Å; S168-D171 PolarHBondContact O-N 3.15Å; S168-D171 VanDerWaalsContact O-N 3.15Å; S168-D171 PolarHBondContact OG-OD2 3.21Å; Y169-D171 VanDerWaalsContact C-N 3.28Å; Y169-D171 PolarHBondContact O-N 3.3Å; D171-Q173 PolarHBondContact O-N 2.92Å; D171-L174 PolarHBondContact O-N 2.97Å; D171-A175 VanDerWaalsContact O-CB 3.26Å; D171-A175 WeakPolarHBondContact O-CB 3.41Å; D171-A175 PolarHBondContact O-N 3.1Å; D171-Y203 WeakPolarHBondContact CA-OH 3.29Å; D171-Y203 WeakPolarHBondContact OD1-CE2 3.37Å; D171-Y203 PolarHBondContact OD1-OH 3.26Å; D171-I207 HydrophobicContact CB-CD1 4.29Å
172C98.7Very high97.3Very high0 Ų013.8 Ų13.80%08%0.077CC..Hα-helixtrans-65.3-22.6177.2-57.90000112.2Q31 M34 T35 L108 S168 Y169 V170 P176Q31-C172 VanDerWaalsContact CA-O 3.29Å; Q31-C172 WeakPolarHBondContact CA-O 3.47Å; Q31-C172 WeakPolarHBondContact CB-O 3.47Å; Q31-C172 HydrophobicContact CG-CB 4.4Å; M34-C172 HydrophobicContact CB-CB 4.29Å; M34-C172 HydrophobicContact CG-CB 4.31Å; M34-C172 HydrophobicContact SD-CB 4.48Å; T35-C172 WeakPolarHBondContact OG1-CB 3.5Å; L108-C172 VanDerWaalsContact CD1-SG 3.59Å; S168-C172 PolarHBondContact O-N 3.19Å; S168-C172 PolarHBondContact O-SG 3.39Å; Y169-C172 WeakPolarHBondContact O-CA 3.44Å; Y169-C172 WeakPolarHBondContact O-CB 3.43Å; Y169-C172 PolarHBondContact O-N 3.48Å; V170-C172 VanDerWaalsContact C-N 3.31Å; V170-C172 PolarHBondContact O-N 3.07Å; C172-P176 VanDerWaalsContact O-CD 3.25Å; C172-P176 WeakPolarHBondContact O-CD 3.44Å; C172-P176 VanDerWaalsContact O-CG 3.27Å; C172-P176 WeakPolarHBondContact O-CG 3.4Å
173Q98.4Very high97.4Very high24 Ų2414 Ų1411%0.1128%0.078CC..Hα-helixtrans-87.6-41.5172.8-65.4169.5-15.300112.7Q31 E121 F124 Y169 V170 D171 K177Q31-Q173 VanDerWaalsContact CD-CG 3.45Å; Q31-Q173 HydrophobicContact CG-CG 4.03Å; Q31-Q173 VanDerWaalsContact NE2-CG 3.34Å; E121-Q173 PolarHBondContact OE1-NE2 2.95Å; E121-Q173 PolarHBondContact OE1-OE1 2.86Å; E121-Q173 VanDerWaalsContact OE1-OE1 3.14Å; F124-Q173 HydrophobicContact CE2-CB 3.92Å; F124-Q173 HydrophobicContact CZ-CB 4.12Å; Y169-Q173 PolarHBondContact O-N 3.47Å; V170-Q173 WeakPolarHBondContact O-CB 3.36Å; V170-Q173 PolarHBondContact O-N 3.29Å; D171-Q173 PolarHBondContact O-N 2.92Å; Q173-K177 WeakPolarHBondContact O-CG 3.29Å
174L98.5Very high97.6Very high1 Ų113.4 Ų13.41%0.0058%0.076CC..Hα-helixtrans-76.4-47.3-172.8175.659.2000112.4F124 L127 L150 A162 V170 D171 K177 L178 Y203F124-L174 HydrophobicContact CB-CD1 4.04Å; F124-L174 HydrophobicContact CD1-CD1 4.19Å; F124-L174 HydrophobicContact CD2-CB 4.33Å; F124-L174 HydrophobicContact CD2-CD1 3.89Å; F124-L174 HydrophobicContact CE1-CB 4.33Å; F124-L174 HydrophobicContact CE2-CB 4.03Å; F124-L174 HydrophobicContact CE2-CD1 4.44Å; F124-L174 HydrophobicContact CG-CD1 3.77Å; F124-L174 HydrophobicContact CZ-CB 4.03Å; L127-L174 HydrophobicContact CD2-CD1 4.18Å; L150-L174 HydrophobicContact CD1-CD1 4.31Å; L150-L174 HydrophobicContact CD1-CD2 3.87Å; L150-L174 HydrophobicContact CD2-CD1 3.71Å; L150-L174 HydrophobicContact CD2-CD2 4.29Å; A162-L174 HydrophobicContact CB-CD2 4.38Å; V170-L174 WeakPolarHBondContact O-CB 3.48Å; V170-L174 PolarHBondContact O-N 3.31Å; D171-L174 PolarHBondContact O-N 2.97Å; L174-K177 WeakPolarHBondContact O-CB 3.37Å; L174-K177 PolarHBondContact O-N 3.39Å; L174-K177 VanDerWaalsContact O-N 3.07Å; L174-L178 HydrophobicContact CD1-CD1 3.92Å; L174-L178 HydrophobicContact CD1-CG 3.9Å; L174-L178 HydrophobicContact CD2-CD1 4.34Å; L174-L178 HydrophobicContact CG-CD1 3.89Å; L174-L178 HydrophobicContact CG-CG 4.31Å; L174-L178 PolarHBondContact O-N 3.45Å; L174-Y203 HydrophobicContact CD2-CE1 3.86Å; L174-Y203 HydrophobicContact CG-CE1 4.08Å
175A98.7Very high97.8Very high0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-57.8-45.2-174.700000113.3M34 D171 K177 L178 Q179 I207 F213M34-A175 HydrophobicContact CE-CB 4.2Å; M34-A175 HydrophobicContact SD-CB 4.35Å; D171-A175 VanDerWaalsContact O-CB 3.26Å; D171-A175 WeakPolarHBondContact O-CB 3.41Å; D171-A175 PolarHBondContact O-N 3.1Å; A175-K177 VanDerWaalsContact C-N 3.33Å; A175-K177 PolarHBondContact O-N 2.79Å; A175-L178 PolarHBondContact O-N 2.91Å; A175-Q179 WeakPolarHBondContact O-CB 3.38Å; A175-Q179 PolarHBondContact O-N 3.28Å; A175-I207 HydrophobicContact CB-CD1 4.3Å; A175-I207 HydrophobicContact CB-CG1 4.33Å; A175-I207 HydrophobicContact CB-CG2 3.67Å; A175-F213 HydrophobicContact CB-CD2 3.8Å; A175-F213 HydrophobicContact CB-CE2 3.78Å
176P98.7Very high98.1Very high1 Ų112.4 Ų12.41%0.0066%0.055CC..Hα-helixtrans-58-42.1173.5-2838.1000113.3L27 Q30 C172 Q179 H180L27-P176 HydrophobicContact CD2-CB 3.69Å; Q30-P176 HydrophobicContact CB-CB 4.27Å; Q30-P176 HydrophobicContact CB-CG 4.18Å; Q30-P176 HydrophobicContact CG-CB 4.1Å; Q30-P176 HydrophobicContact CG-CG 3.74Å; C172-P176 VanDerWaalsContact O-CD 3.25Å; C172-P176 WeakPolarHBondContact O-CD 3.44Å; C172-P176 VanDerWaalsContact O-CG 3.27Å; C172-P176 WeakPolarHBondContact O-CG 3.4Å; P176-Q179 PolarHBondContact O-N 3.37Å; P176-H180 PolarHBondContact O-CD2 3.32Å; P176-H180 PolarHBondContact O-N 2.93Å
177K98.8Very high98.3Very high40 Ų408.7 Ų8.717%0.1744%0.039CC..Hα-helixtrans-64.5-46.7-179.7-67.6175178.5-175.90111.1L27 F124 L127 Q173 L174 A175 Q179 H180 V181L27-K177 HydrophobicContact CD1-CG 4.41Å; L27-K177 HydrophobicContact CD2-CG 4.42Å; F124-K177 HydrophobicContact CD2-CD 3.94Å; F124-K177 HydrophobicContact CE2-CD 4.35Å; F124-K177 PolarHBondContact O-NZ 3.37Å; L127-K177 HydrophobicContact CB-CD 4.35Å; L127-K177 HydrophobicContact CD2-CB 3.79Å; L127-K177 HydrophobicContact CG-CB 4.31Å; Q173-K177 WeakPolarHBondContact O-CG 3.29Å; L174-K177 WeakPolarHBondContact O-CB 3.37Å; L174-K177 PolarHBondContact O-N 3.39Å; L174-K177 VanDerWaalsContact O-N 3.07Å; A175-K177 VanDerWaalsContact C-N 3.33Å; A175-K177 PolarHBondContact O-N 2.79Å; K177-Q179 VanDerWaalsContact C-N 3.33Å; K177-Q179 PolarHBondContact O-N 3.24Å; K177-H180 WeakPolarHBondContact O-CB 3.49Å; K177-H180 PolarHBondContact O-N 3.18Å; K177-V181 WeakPolarHBondContact O-CG2 3.36Å; K177-V181 PolarHBondContact O-N 3.05Å
178L98.8Very high98.4Very high0 Ų08.9 Ų8.90%04%0.039CC..Hα-helixtrans-62.9-40.6176.7-73.7173.6000111.8L127 L147 L150 L174 A175 H180 V181 R182 I193 I200 Y203 L204L127-L178 HydrophobicContact CD2-CD2 3.99Å; L127-L178 HydrophobicContact CD2-CG 4.28Å; L147-L178 HydrophobicContact CD2-CD2 3.8Å; L150-L178 HydrophobicContact CD2-CD1 4.27Å; L150-L178 HydrophobicContact CD2-CD2 4.03Å; L150-L178 HydrophobicContact CD2-CG 4.48Å; L174-L178 HydrophobicContact CD1-CD1 3.92Å; L174-L178 HydrophobicContact CD1-CG 3.9Å; L174-L178 HydrophobicContact CD2-CD1 4.34Å; L174-L178 HydrophobicContact CG-CD1 3.89Å; L174-L178 HydrophobicContact CG-CG 4.31Å; L174-L178 PolarHBondContact O-N 3.45Å; A175-L178 PolarHBondContact O-N 2.91Å; L178-H180 VanDerWaalsContact C-N 3.28Å; L178-H180 PolarHBondContact O-N 3.15Å; L178-V181 WeakPolarHBondContact O-CB 3.43Å; L178-V181 PolarHBondContact O-N 3.37Å; L178-V181 VanDerWaalsContact O-N 3.13Å; L178-R182 WeakPolarHBondContact O-CG 3.38Å; L178-R182 PolarHBondContact O-N 3.1Å; L178-I193 HydrophobicContact CD2-CD1 4.21Å; L178-I200 HydrophobicContact CD1-CG2 4.18Å; L178-I200 HydrophobicContact CD2-CG2 4.19Å; L178-Y203 HydrophobicContact CD1-CD1 3.79Å; L178-Y203 HydrophobicContact CD1-CE1 3.74Å; L178-L204 HydrophobicContact CB-CD2 3.98Å; L178-L204 HydrophobicContact CD1-CD2 4.11Å; L178-L204 HydrophobicContact CD1-CG 4.41Å
179Q98.8Very high98.4Very high0 Ų011 Ų110%05%0.049CC..Hα-helixtrans-58.5-43.3175.9-172.863.87.100111.9A175 P176 K177 R182 V183 Y208 F213 I223 L247A175-Q179 WeakPolarHBondContact O-CB 3.38Å; A175-Q179 PolarHBondContact O-N 3.28Å; P176-Q179 PolarHBondContact O-N 3.37Å; K177-Q179 VanDerWaalsContact C-N 3.33Å; K177-Q179 PolarHBondContact O-N 3.24Å; Q179-R182 PolarHBondContact O-N 3.31Å; Q179-V183 WeakPolarHBondContact O-CG2 3.22Å; Q179-V183 PolarHBondContact O-N 2.55Å; Q179-Y208 VanDerWaalsContact OE1-CE1 3.31Å; Q179-Y208 PolarHBondContact OE1-OH 3.08Å; Q179-F213 HydrophobicContact CB-CZ 4.05Å; Q179-F213 HydrophobicContact CG-CZ 4.05Å; Q179-I223 HydrophobicContact CG-CD1 4.06Å; Q179-L247 PolarHBondContact NE2-O 3.02Å
180H98.8Very high98.3Very high0 Ų019.9 Ų19.90%09%0.088CC..Hα-helixtrans-65.1-39175.3-83.1-127.8000112.8A25 L27 L131 P176 K177 L178 R182 A184 Y227A25-H180 PolarHBondContact O-CE1 2.95Å; A25-H180 VanDerWaalsContact O-CE1 3.28Å; L27-H180 HydrophobicContact CD2-CB 4.37Å; L131-H180 HydrophobicContact CD2-CB 4.1Å; P176-H180 PolarHBondContact O-CD2 3.32Å; P176-H180 PolarHBondContact O-N 2.93Å; K177-H180 WeakPolarHBondContact O-CB 3.49Å; K177-H180 PolarHBondContact O-N 3.18Å; L178-H180 VanDerWaalsContact C-N 3.28Å; L178-H180 PolarHBondContact O-N 3.15Å; H180-R182 VanDerWaalsContact C-N 3.32Å; H180-R182 PolarHBondContact O-N 2.7Å; H180-A184 VanDerWaalsContact O-CB 3.26Å; H180-A184 WeakPolarHBondContact O-CB 3.25Å; H180-A184 PolarHBondContact O-N 2.96Å; H180-Y227 HydrophobicContact CB-CE2 4.32Å; H180-Y227 WeakPolarHBondContact CB-OH 3.5Å; H180-Y227 AromaticContact ND1-CE2 3.38Å; H180-Y227 WeakPolarHBondContact ND1-CE2 3.03Å; H180-Y227 AromaticContact ND1-CZ 3.55Å; H180-Y227 PolarHBondContact ND1-OH 3.15Å
181V98.8Very high98.3Very high0 Ų020.7 Ų20.70%09%0.091CC..Hα-helixtrans-57.3-46.6173.4168.90000110.7L127 L131 L143 L147 K177 L178 G185 F191 I193L127-V181 HydrophobicContact CD1-CG2 3.95Å; L127-V181 HydrophobicContact CD2-CG2 4.48Å; L127-V181 HydrophobicContact CG-CG2 4.13Å; L131-V181 HydrophobicContact CB-CG2 4.3Å; L131-V181 HydrophobicContact CD1-CG2 4.32Å; L131-V181 HydrophobicContact CD2-CG2 3.99Å; L131-V181 HydrophobicContact CG-CG2 4.43Å; L143-V181 HydrophobicContact CD1-CG1 4.34Å; L143-V181 HydrophobicContact CD1-CG2 4.09Å; L143-V181 HydrophobicContact CD2-CG1 4.44Å; L147-V181 HydrophobicContact CD1-CG1 4.45Å; K177-V181 WeakPolarHBondContact O-CG2 3.36Å; K177-V181 PolarHBondContact O-N 3.05Å; L178-V181 WeakPolarHBondContact O-CB 3.43Å; L178-V181 PolarHBondContact O-N 3.37Å; L178-V181 VanDerWaalsContact O-N 3.13Å; V181-G185 VanDerWaalsContact O-CA 3.25Å; V181-G185 WeakPolarHBondContact O-CA 3.13Å; V181-G185 PolarHBondContact O-N 3.5Å; V181-F191 HydrophobicContact CG1-CE1 4.02Å; V181-I193 HydrophobicContact CG1-CG1 4.37Å
182R98.7Very high98.3Very high0 Ų022.4 Ų22.40%010%0.1CC..Hα-helixtrans-65.3-50.7179.9-63.6-169.570.7-147.1-3.1112.3L178 Q179 H180 R186 D192 I193 Y208 L247 D249L178-R182 WeakPolarHBondContact O-CG 3.38Å; L178-R182 PolarHBondContact O-N 3.1Å; Q179-R182 PolarHBondContact O-N 3.31Å; H180-R182 VanDerWaalsContact C-N 3.32Å; H180-R182 PolarHBondContact O-N 2.7Å; R182-R186 VanDerWaalsContact O-CB 3.29Å; R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 WeakPolarHBondContact O-CG 2.96Å; R182-R186 PolarHBondContact O-N 3.07Å; R182-R186 VanDerWaalsContact O-N 3.11Å; R182-D192 WeakPolarHBondContact CG-OD1 3.3Å; R182-D192 IonicContact NE-OD1 2.7Å; R182-D192 PolarHBondContact NE-OD1 3.32Å; R182-D192 IonicContact NE-OD2 3.47Å; R182-D192 IonicContact NH2-OD2 3.95Å; R182-D192 PolarHBondContact NH2-OD2 2.73Å; R182-I193 HydrophobicContact CG-CD1 3.68Å; R182-I193 HydrophobicContact CG-CG1 4.27Å; R182-Y208 WeakPolarHBondContact CD-OH 3.08Å; R182-Y208 VanDerWaalsContact NH1-CE2 3.32Å; R182-Y208 PolarHBondContact NH1-OH 3.47Å; R182-L247 HydrophobicContact CB-CD2 4.01Å; R182-D249 IonicContact CZ-OD1 2.94Å; R182-D249 PolarHBondContact NH1-O 3.07Å; R182-D249 IonicContact NH1-OD1 3.76Å; R182-D249 PolarHBondContact NH1-OD1 2.92Å; R182-D249 PolarHBondContact NH2-O 3.16Å; R182-D249 VanDerWaalsContact NH2-O 3.11Å; R182-D249 IonicContact NH2-OD1 3.66Å; R182-D249 PolarHBondContact NH2-OD1 3Å; R182-D249 IonicContact NH2-OD2 3.31Å
183V98.6Very high98.3Very high5 Ų522.5 Ų22.53%0.0310%0.101CC..Hα-helixtrans-67.8-50.7-175.3173.20000111.5Q179 A187 T220 I223 L224 L247Q179-V183 WeakPolarHBondContact O-CG2 3.22Å; Q179-V183 PolarHBondContact O-N 2.55Å; V183-A187 WeakPolarHBondContact O-CB 3.47Å; V183-A187 PolarHBondContact O-N 2.93Å; V183-T220 HydrophobicContact CB-CG2 4.46Å; V183-T220 HydrophobicContact CG1-CG2 3.64Å; V183-T220 HydrophobicContact CG2-CG2 3.99Å; V183-I223 HydrophobicContact CB-CB 4.44Å; V183-I223 HydrophobicContact CB-CD1 4.34Å; V183-I223 HydrophobicContact CB-CG2 3.95Å; V183-I223 HydrophobicContact CG1-CB 3.87Å; V183-I223 HydrophobicContact CG1-CD1 4.49Å; V183-I223 HydrophobicContact CG1-CG2 3.69Å; V183-I223 HydrophobicContact CG2-CD1 4.01Å; V183-L224 HydrophobicContact CG1-CD2 3.63Å; V183-L224 HydrophobicContact CG1-CG 3.79Å; V183-L247 HydrophobicContact CG2-CB 3.98Å; V183-L247 HydrophobicContact CG2-CD2 3.76Å
184A98.3Very high98.2Very high0 Ų023.1 Ų23.10%011%0.107CC..Hα-helixtrans-74.1-39-178.400000111.9I135 H180 R186 A187 Y188 Y227I135-A184 HydrophobicContact CD1-CB 3.75Å; H180-A184 VanDerWaalsContact O-CB 3.26Å; H180-A184 WeakPolarHBondContact O-CB 3.25Å; H180-A184 PolarHBondContact O-N 2.96Å; A184-R186 VanDerWaalsContact C-N 3.34Å; A184-R186 PolarHBondContact O-N 3.27Å; A184-A187 PolarHBondContact O-N 2.84Å; A184-Y188 HydrophobicContact CB-CD2 4.36Å; A184-Y188 WeakPolarHBondContact O-CD2 3.4Å; A184-Y188 PolarHBondContact O-N 3.25Å; A184-Y227 HydrophobicContact CB-CD2 3.78Å; A184-Y227 HydrophobicContact CB-CE2 3.79Å; A184-Y227 HydrophobicContact CB-CG 4.21Å
185G98.3Very high98.2Very high0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-57.3-46.3176.100000112.2V181 A187 H189 K190 F191V181-G185 VanDerWaalsContact O-CA 3.25Å; V181-G185 WeakPolarHBondContact O-CA 3.13Å; V181-G185 PolarHBondContact O-N 3.5Å; G185-A187 VanDerWaalsContact C-N 3.29Å; G185-A187 PolarHBondContact O-N 2.83Å; G185-H189 PolarHBondContact O-N 3.24Å; G185-K190 PolarHBondContact O-N 2.88Å; G185-F191 CarbonylContact C-O 3.59Å; G185-F191 PolarHBondContact O-N 2.77Å
186R98Very high98.1Very high84 Ų8433.4 Ų33.432%0.31716%0.161SC..Hα-helixtrans-63.4-38.8178.5-75.8178.3175.8-157.9-0.1111.3R182 A184 K190 F191 D192 D249R182-R186 VanDerWaalsContact O-CB 3.29Å; R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 WeakPolarHBondContact O-CG 2.96Å; R182-R186 PolarHBondContact O-N 3.07Å; R182-R186 VanDerWaalsContact O-N 3.11Å; A184-R186 VanDerWaalsContact C-N 3.34Å; A184-R186 PolarHBondContact O-N 3.27Å; R186-K190 VanDerWaalsContact O-CA 3.31Å; R186-K190 WeakPolarHBondContact O-CA 3.34Å; R186-K190 PolarHBondContact O-N 3.29Å; R186-F191 WeakPolarHBondContact CA-O 3.34Å; R186-F191 VanDerWaalsContact CG-O 3.28Å; R186-F191 WeakPolarHBondContact CG-O 3.47Å; R186-F191 PolarHBondContact N-O 2.81Å; R186-D192 HydrophobicContact CG-CB 4.26Å; R186-D192 IonicContact CZ-OD2 3.45Å; R186-D192 IonicContact NE-OD2 3.98Å; R186-D192 PolarHBondContact NE-OD2 2.83Å; R186-D192 IonicContact NH2-OD2 2.79Å; R186-D192 PolarHBondContact NH2-OD2 2.86Å; R186-D249 IonicContact CZ-OD1 3.83Å; R186-D249 IonicContact CZ-OD2 2.83Å; R186-D249 IonicContact NH1-OD1 3.42Å; R186-D249 IonicContact NH1-OD2 3.85Å; R186-D249 PolarHBondContact NH1-OD2 3.43Å; R186-D249 IonicContact NH2-OD1 3.7Å; R186-D249 PolarHBondContact NH2-OD1 3.4Å; R186-D249 IonicContact NH2-OD2 3.48Å; R186-D249 PolarHBondContact NH2-OD2 2.82Å
187A97.9Very high98.1Very high12 Ų1234 Ų3410%0.09916%0.164CC..Hα-helixtrans-75.6-47.4-175.800000114V183 A184 G185 L224 L233 P234 I237V183-A187 WeakPolarHBondContact O-CB 3.47Å; V183-A187 PolarHBondContact O-N 2.93Å; A184-A187 PolarHBondContact O-N 2.84Å; G185-A187 VanDerWaalsContact C-N 3.29Å; G185-A187 PolarHBondContact O-N 2.83Å; A187-L224 HydrophobicContact CB-CD2 3.33Å; A187-L233 HydrophobicContact CB-CD2 4.06Å; A187-P234 WeakPolarHBondContact O-CG 3.49Å; A187-I237 VanDerWaalsContact CA-CD1 3.44Å; A187-I237 HydrophobicContact CB-CD1 3.58Å; A187-I237 WeakPolarHBondContact O-CD1 3.39Å
188Y97.9Very high98Very high19 Ų1935.1 Ų35.18%0.07517%0.172CC..Hα-helixtrans-78.1-41.4-175.1-77.3-86.1000112.7I135 A184 Y227 D228 K231 L233I135-Y188 HydrophobicContact CD1-CD2 4.35Å; I135-Y188 HydrophobicContact CD1-CE2 4.45Å; I135-Y188 HydrophobicContact CG1-CD2 4.05Å; I135-Y188 HydrophobicContact CG1-CG 4.4Å; I135-Y188 HydrophobicContact CG2-CD1 4.02Å; I135-Y188 HydrophobicContact CG2-CD2 4.04Å; I135-Y188 HydrophobicContact CG2-CE1 4.02Å; I135-Y188 HydrophobicContact CG2-CE2 4.06Å; I135-Y188 HydrophobicContact CG2-CG 4.03Å; A184-Y188 HydrophobicContact CB-CD2 4.36Å; A184-Y188 WeakPolarHBondContact O-CD2 3.4Å; A184-Y188 PolarHBondContact O-N 3.25Å; Y188-Y227 HydrophobicContact CE2-CG 4.5Å; Y188-Y227 WeakPolarHBondContact OH-CB 3.43Å; Y188-Y227 PolarHBondContact OH-O 2.91Å; Y188-D228 PolarHBondContact OH-N 3.01Å; Y188-K231 HydrophobicContact CD1-CD 4.23Å; Y188-K231 HydrophobicContact CD1-CG 4.49Å; Y188-K231 HydrophobicContact CE1-CB 4.05Å; Y188-K231 HydrophobicContact CE1-CD 4.08Å; Y188-K231 HydrophobicContact CE1-CG 3.88Å; Y188-K231 WeakPolarHBondContact CE1-O 3.44Å; Y188-K231 PolarHBondContact OH-O 3.45Å; Y188-L233 HydrophobicContact CD2-CD2 4.13Å; Y188-L233 HydrophobicContact CE1-CD2 4.06Å; Y188-L233 HydrophobicContact CE2-CD2 3.51Å; Y188-L233 VanDerWaalsContact CZ-CD2 3.47Å
189H97.1Very high97.9Very high43 Ų4338.5 Ų38.520%0.19919%0.188CC..Hα-helixtrans-137.115.3-166-58.4-53000113.6Y134 I135 D138 G185 F191Y134-H189 AromaticContact CD2-CD2 3.94Å; Y134-H189 HydrophobicContact CE1-CB 4.03Å; Y134-H189 AromaticContact CE1-CD2 3.77Å; Y134-H189 HydrophobicContact CE2-CB 4.23Å; Y134-H189 AromaticContact CE2-CD2 3.61Å; Y134-H189 AromaticContact CZ-CD2 3.54Å; Y134-H189 AromaticContact CZ-CG 3.84Å; Y134-H189 PolarHBondContact O-CD2 2.93Å; Y134-H189 PolarHBondContact O-NE2 3.44Å; Y134-H189 WeakPolarHBondContact OH-CB 3.42Å; I135-H189 PolarHBondContact O-NE2 3.33Å; D138-H189 IonicContact OD1-CD2 2.69Å; D138-H189 IonicContact OD1-CE1 3.27Å; D138-H189 IonicContact OD1-CG 3.38Å; D138-H189 IonicContact OD1-ND1 3.81Å; D138-H189 PolarHBondContact OD1-ND1 3.05Å; D138-H189 IonicContact OD1-NE2 3.83Å; G185-H189 PolarHBondContact O-N 3.24Å; H189-F191 PolarHBondContact O-N 3.44Å; H189-F191 VanDerWaalsContact O-N 3.1Å
190K96.6Very high97.8Very high188 Ų18838.5 Ų38.582%0.81719%0.188SC*.SBendtrans54.130.1-177.9-54.6177.7-176.8176.90113G185 R186G185-K190 PolarHBondContact O-N 2.88Å; R186-K190 VanDerWaalsContact O-CA 3.31Å; R186-K190 WeakPolarHBondContact O-CA 3.34Å; R186-K190 PolarHBondContact O-N 3.29Å
191F97.8Very high97.8Very high17 Ų1738.5 Ų38.58%0.07519%0.188CC..  trans-91.4143.7179.1173.2-91.1000110.9Y134 K140 L143 L147 V181 G185 R186 H189Y134-F191 HydrophobicContact CE1-CB 3.58Å; Y134-F191 HydrophobicContact CE1-CD1 4.03Å; Y134-F191 HydrophobicContact CE1-CD2 4.2Å; Y134-F191 AromaticContact CE1-CG 3.67Å; Y134-F191 HydrophobicContact CE1-CG 3.67Å; Y134-F191 WeakPolarHBondContact OH-CB 3.35Å; K140-F191 HydrophobicContact CD-CD2 4.47Å; K140-F191 HydrophobicContact CD-CE2 4.49Å; L143-F191 HydrophobicContact CD2-CD1 4.34Å; L143-F191 HydrophobicContact CD2-CE1 3.8Å; L143-F191 HydrophobicContact CD2-CZ 4.12Å; L147-F191 HydrophobicContact CD1-CE1 4.28Å; L147-F191 HydrophobicContact CD1-CZ 3.94Å; V181-F191 HydrophobicContact CG1-CE1 4.02Å; G185-F191 CarbonylContact C-O 3.59Å; G185-F191 PolarHBondContact O-N 2.77Å; R186-F191 WeakPolarHBondContact CA-O 3.34Å; R186-F191 VanDerWaalsContact CG-O 3.28Å; R186-F191 WeakPolarHBondContact CG-O 3.47Å; R186-F191 PolarHBondContact N-O 2.81Å; H189-F191 PolarHBondContact O-N 3.44Å; H189-F191 VanDerWaalsContact O-N 3.1Å
192D97.5Very high97.7Very high36 Ų3641.2 Ų41.219%0.19320%0.201CC..  trans-137.5171162.7-158.5-3.7000108.4R182 R186 P194R182-D192 WeakPolarHBondContact CG-OD1 3.3Å; R182-D192 IonicContact NE-OD1 2.7Å; R182-D192 PolarHBondContact NE-OD1 3.32Å; R182-D192 IonicContact NE-OD2 3.47Å; R182-D192 IonicContact NH2-OD2 3.95Å; R182-D192 PolarHBondContact NH2-OD2 2.73Å; R186-D192 HydrophobicContact CG-CB 4.26Å; R186-D192 IonicContact CZ-OD2 3.45Å; R186-D192 IonicContact NE-OD2 3.98Å; R186-D192 PolarHBondContact NE-OD2 2.83Å; R186-D192 IonicContact NH2-OD2 2.79Å; R186-D192 PolarHBondContact NH2-OD2 2.86Å; D192-P194 WeakPolarHBondContact O-CD 3.48Å
193I98.4Very high97.6Very high3 Ų341.4 Ų41.42%0.01520%0.202CC..  trans-57122.8175.6-62.8162.1000108.3L178 V181 R182 L195 M197 I200 W201 L204L178-I193 HydrophobicContact CD2-CD1 4.21Å; V181-I193 HydrophobicContact CG1-CG1 4.37Å; R182-I193 HydrophobicContact CG-CD1 3.68Å; R182-I193 HydrophobicContact CG-CG1 4.27Å; I193-L195 PolarHBondContact O-N 2.99Å; I193-M197 HydrophobicContact CG2-CB 4.05Å; I193-M197 HydrophobicContact CG2-SD 4.08Å; I193-I200 HydrophobicContact CD1-CG2 3.84Å; I193-I200 HydrophobicContact CG2-CB 4.31Å; I193-I200 HydrophobicContact CG2-CG2 3.97Å; I193-W201 HydrophobicContact CB-CZ2 3.82Å; I193-W201 HydrophobicContact CG2-CZ2 4.45Å; I193-W201 VanDerWaalsContact O-CZ2 3.24Å; I193-W201 WeakPolarHBondContact O-CZ2 3.45Å; I193-W201 PolarHBondContact O-NE1 3.18Å; I193-L204 HydrophobicContact CD1-CD1 3.59Å
194P98Very high97.6Very high36 Ų3641.1 Ų41.123%0.23420%0.201CC..  trans-50140.9179.5-31.637000113D192 D196 M197 W201D192-P194 WeakPolarHBondContact O-CD 3.48Å; P194-D196 WeakPolarHBondContact CB-OD1 3.41Å; P194-D196 PolarHBondContact O-N 3.24Å; P194-M197 HydrophobicContact CB-CE 4.32Å; P194-M197 HydrophobicContact CB-CG 4.24Å; P194-M197 HydrophobicContact CB-SD 4.25Å; P194-M197 HydrophobicContact CG-CE 3.93Å; P194-M197 HydrophobicContact CG-SD 4.09Å; P194-M197 WeakPolarHBondContact O-CB 3.27Å; P194-M197 PolarHBondContact O-N 3.05Å; P194-M197 VanDerWaalsContact O-N 3.13Å; P194-W201 PolarHBondContact O-NE1 2.87Å; P194-W201 VanDerWaalsContact O-NE1 3.12Å
195L97.6Very high97.6Very high96 Ų9644.2 Ų44.250%0.50321%0.212SC..THydrogen-bonded Turntrans-68.5-22-174.3-69.3-179.7000112.6I193 M197 P251 K253 F254I193-L195 PolarHBondContact O-N 2.99Å; L195-M197 VanDerWaalsContact C-N 3.25Å; L195-M197 PolarHBondContact O-N 2.89Å; L195-P251 HydrophobicContact CD2-CB 3.76Å; L195-P251 HydrophobicContact CD2-CG 3.63Å; L195-K253 WeakPolarHBondContact O-CE 3.48Å; L195-K253 PolarHBondContact O-NZ 3.15Å; L195-F254 HydrophobicContact CD2-CE2 4.37Å; L195-F254 WeakPolarHBondContact O-CZ 3.19Å
196D97.3Very high97.5Very high122 Ų12245.6 Ų45.665%0.65222%0.22SC*.THydrogen-bonded Turntrans-75.4-8.9174.859.7-27000113.7P194 D198P194-D196 WeakPolarHBondContact CB-OD1 3.41Å; P194-D196 PolarHBondContact O-N 3.24Å; D196-D198 PolarHBondContact O-N 3.21Å
197M97.5Very high97.5Very high13 Ų1341.6 Ų41.66%0.06421%0.205CC..  trans-83.461.9173.2-63.5179.4178.700111.4L147 N151 I193 P194 L195 H199 I200 W201L147-M197 HydrophobicContact CB-CE 3.84Å; L147-M197 HydrophobicContact CB-SD 3.58Å; L147-M197 VanDerWaalsContact CB-SD 3.58Å; N151-M197 HydrophobicContact CB-CB 4.21Å; N151-M197 HydrophobicContact CB-CG 4.31Å; N151-M197 WeakPolarHBondContact OD1-CA 3.43Å; N151-M197 PolarHBondContact OD1-O 2.73Å; I193-M197 HydrophobicContact CG2-CB 4.05Å; I193-M197 HydrophobicContact CG2-SD 4.08Å; P194-M197 HydrophobicContact CB-CE 4.32Å; P194-M197 HydrophobicContact CB-CG 4.24Å; P194-M197 HydrophobicContact CB-SD 4.25Å; P194-M197 HydrophobicContact CG-CE 3.93Å; P194-M197 HydrophobicContact CG-SD 4.09Å; P194-M197 WeakPolarHBondContact O-CB 3.27Å; P194-M197 PolarHBondContact O-N 3.05Å; P194-M197 VanDerWaalsContact O-N 3.13Å; L195-M197 VanDerWaalsContact C-N 3.25Å; L195-M197 PolarHBondContact O-N 2.89Å; M197-H199 VanDerWaalsContact C-N 3.28Å; M197-H199 PolarHBondContact O-N 2.96Å; M197-I200 HydrophobicContact CB-CB 4.46Å; M197-I200 HydrophobicContact CB-CD1 4.31Å; M197-I200 PolarHBondContact O-N 2.86Å; M197-I200 HydrophobicContact SD-CD1 4.19Å; M197-W201 PolarHBondContact O-N 3.19Å
198D96.3Very high97.5Very high63 Ų6341.8 Ų41.834%0.33720%0.203SC..Hα-helixtrans-56.8-38.2-169.1-69.1-13.5000113.8N151 D196 W201 I202 K253 F254N151-D198 PolarHBondContact OD1-N 3.01Å; D196-D198 PolarHBondContact O-N 3.21Å; D198-W201 PolarHBondContact O-N 2.95Å; D198-I202 VanDerWaalsContact O-CG1 3.29Å; D198-I202 WeakPolarHBondContact O-CG1 3.35Å; D198-I202 PolarHBondContact O-N 3.14Å; D198-K253 WeakPolarHBondContact OD1-CE 3.46Å; D198-K253 IonicContact OD1-NZ 3.34Å; D198-K253 PolarHBondContact OD1-NZ 3.27Å; D198-F254 HydrophobicContact CB-CE1 3.77Å; D198-F254 HydrophobicContact CB-CZ 4.28Å; D198-F254 WeakPolarHBondContact OD1-CE1 3.38Å; D198-F254 VanDerWaalsContact OD1-CZ 3.26Å; D198-F254 WeakPolarHBondContact OD1-CZ 3.21Å
199H97.1Very high97.5Very high71 Ų7143.1 Ų43.133%0.32922%0.223SC..Hα-helixtrans-75-29.2-175.5-59.3-79.2000112.5N151 L154 A155 M197 Y203N151-H199 WeakPolarHBondContact OD1-CB 2.97Å; N151-H199 PolarHBondContact OD1-N 3.38Å; L154-H199 HydrophobicContact CB-CB 3.76Å; A155-H199 WeakPolarHBondContact CB-CD2 3.41Å; A155-H199 WeakPolarHBondContact CB-NE2 3.45Å; M197-H199 VanDerWaalsContact C-N 3.28Å; M197-H199 PolarHBondContact O-N 2.96Å; H199-Y203 VanDerWaalsContact O-CB 3.24Å; H199-Y203 WeakPolarHBondContact O-CB 3.45Å; H199-Y203 PolarHBondContact O-N 3.19Å
200I97.9Very high97.5Very high0 Ų042.3 Ų42.30%022%0.22CC..Hα-helixtrans-67.3-41.7170.2-65.4179.6000110.3L147 L150 N151 L154 L178 I193 M197 Y203 L204L147-I200 HydrophobicContact CB-CD1 4.2Å; L147-I200 HydrophobicContact CD2-CD1 4.01Å; L147-I200 VanDerWaalsContact O-CD1 3.26Å; L147-I200 WeakPolarHBondContact O-CD1 3.37Å; L150-I200 HydrophobicContact CB-CD1 4.31Å; L150-I200 HydrophobicContact CD2-CD1 4Å; L150-I200 HydrophobicContact CD2-CG1 4.29Å; L150-I200 HydrophobicContact CG-CD1 4.17Å; L150-I200 HydrophobicContact CG-CG1 4.28Å; N151-I200 HydrophobicContact CB-CD1 4Å; N151-I200 HydrophobicContact CB-CG1 4Å; N151-I200 PolarHBondContact OD1-N 3.21Å; L154-I200 HydrophobicContact CD1-CG1 3.93Å; L178-I200 HydrophobicContact CD1-CG2 4.18Å; L178-I200 HydrophobicContact CD2-CG2 4.19Å; I193-I200 HydrophobicContact CD1-CG2 3.84Å; I193-I200 HydrophobicContact CG2-CB 4.31Å; I193-I200 HydrophobicContact CG2-CG2 3.97Å; M197-I200 HydrophobicContact CB-CB 4.46Å; M197-I200 HydrophobicContact CB-CD1 4.31Å; M197-I200 PolarHBondContact O-N 2.86Å; M197-I200 HydrophobicContact SD-CD1 4.19Å; I200-Y203 WeakPolarHBondContact O-CB 3.38Å; I200-Y203 PolarHBondContact O-N 3.03Å; I200-L204 HydrophobicContact CG2-CD1 4.07Å; I200-L204 HydrophobicContact CG2-CG 4.38Å; I200-L204 WeakPolarHBondContact O-CB 3.12Å; I200-L204 WeakPolarHBondContact O-CG 3.43Å; I200-L204 PolarHBondContact O-N 2.6Å
201W97.9Very high97.6Very high1 Ų137.8 Ų37.80%0.00421%0.205CC..Hα-helixtrans-68.8-39.6178.9-76.1113.3000113I193 P194 M197 D198 Y203 L204 R205 I250 P251 F254I193-W201 HydrophobicContact CB-CZ2 3.82Å; I193-W201 HydrophobicContact CG2-CZ2 4.45Å; I193-W201 VanDerWaalsContact O-CZ2 3.24Å; I193-W201 WeakPolarHBondContact O-CZ2 3.45Å; I193-W201 PolarHBondContact O-NE1 3.18Å; P194-W201 PolarHBondContact O-NE1 2.87Å; P194-W201 VanDerWaalsContact O-NE1 3.12Å; M197-W201 PolarHBondContact O-N 3.19Å; D198-W201 PolarHBondContact O-N 2.95Å; W201-Y203 VanDerWaalsContact C-N 3.32Å; W201-L204 HydrophobicContact CE3-CD1 4.09Å; W201-L204 HydrophobicContact CZ3-CD1 4.2Å; W201-L204 PolarHBondContact O-N 3.04Å; W201-R205 WeakPolarHBondContact O-CB 3.49Å; W201-R205 PolarHBondContact O-N 3.49Å; W201-I250 HydrophobicContact CE3-CD1 4.18Å; W201-I250 HydrophobicContact CZ3-CD1 4.42Å; W201-P251 HydrophobicContact CD2-CG 3.89Å; W201-P251 HydrophobicContact CE3-CG 3.9Å; W201-P251 HydrophobicContact CH2-CG 3.76Å; W201-P251 HydrophobicContact CZ2-CG 3.75Å; W201-P251 HydrophobicContact CZ3-CG 3.85Å; W201-F254 HydrophobicContact CB-CB 4.33Å; W201-F254 HydrophobicContact CB-CD1 3.79Å; W201-F254 HydrophobicContact CB-CD2 3.37Å; W201-F254 HydrophobicContact CB-CE1 3.72Å; W201-F254 HydrophobicContact CB-CE2 3.3Å; W201-F254 HydrophobicContact CB-CG 3.58Å; W201-F254 HydrophobicContact CB-CZ 3.41Å; W201-F254 VanDerWaalsContact CB-CZ 3.41Å; W201-F254 AromaticContact CD1-CE2 3.17Å; W201-F254 AromaticContact CD1-CZ 3.36Å; W201-F254 HydrophobicContact CD2-CD2 4.14Å; W201-F254 AromaticContact CD2-CE2 3.94Å; W201-F254 HydrophobicContact CD2-CE2 3.94Å; W201-F254 AromaticContact CG-CD2 3.57Å; W201-F254 HydrophobicContact CG-CD2 3.57Å; W201-F254 HydrophobicContact CG-CE1 4.36Å; W201-F254 AromaticContact CG-CE2 3.15Å; W201-F254 HydrophobicContact CG-CE2 3.15Å; W201-F254 HydrophobicContact CG-CG 4.28Å; W201-F254 AromaticContact CG-CZ 3.56Å; W201-F254 HydrophobicContact CG-CZ 3.56Å; W201-F254 AromaticContact NE1-CE2 3.89Å
202I96.2Very high97.6Very high56 Ų5637 Ų3729%0.28720%0.201SC..Hα-helixtrans-59.8-45.5171.4-69.7164.4000110.2D198 R205 N206 F254D198-I202 VanDerWaalsContact O-CG1 3.29Å; D198-I202 WeakPolarHBondContact O-CG1 3.35Å; D198-I202 PolarHBondContact O-N 3.14Å; I202-R205 PolarHBondContact O-N 3.1Å; I202-N206 VanDerWaalsContact O-CG 3.24Å; I202-N206 PolarHBondContact O-N 2.77Å; I202-N206 PolarHBondContact O-ND2 3.04Å; I202-F254 HydrophobicContact CG1-CD1 4.39Å
203Y97.8Very high97.6Very high4 Ų435.3 Ų35.32%0.01619%0.192CC..Hα-helixtrans-57.2-53175.4172.6-101000112L154 A162 D171 L174 L178 H199 I200 W201 R205 N206 I207L154-Y203 HydrophobicContact CD1-CG 4.21Å; L154-Y203 HydrophobicContact CD2-CD2 4.3Å; A162-Y203 HydrophobicContact CB-CE2 4.24Å; D171-Y203 WeakPolarHBondContact CA-OH 3.29Å; D171-Y203 WeakPolarHBondContact OD1-CE2 3.37Å; D171-Y203 PolarHBondContact OD1-OH 3.26Å; L174-Y203 HydrophobicContact CD2-CE1 3.86Å; L174-Y203 HydrophobicContact CG-CE1 4.08Å; L178-Y203 HydrophobicContact CD1-CD1 3.79Å; L178-Y203 HydrophobicContact CD1-CE1 3.74Å; H199-Y203 VanDerWaalsContact O-CB 3.24Å; H199-Y203 WeakPolarHBondContact O-CB 3.45Å; H199-Y203 PolarHBondContact O-N 3.19Å; I200-Y203 WeakPolarHBondContact O-CB 3.38Å; I200-Y203 PolarHBondContact O-N 3.03Å; W201-Y203 VanDerWaalsContact C-N 3.32Å; Y203-R205 VanDerWaalsContact C-N 3.31Å; Y203-R205 PolarHBondContact O-N 2.97Å; Y203-N206 PolarHBondContact O-N 2.96Å; Y203-I207 HydrophobicContact CD1-CG1 4.07Å; Y203-I207 HydrophobicContact CD2-CG1 4.21Å; Y203-I207 HydrophobicContact CE1-CD1 4.33Å; Y203-I207 HydrophobicContact CE1-CG1 3.59Å; Y203-I207 HydrophobicContact CE2-CD1 3.89Å; Y203-I207 HydrophobicContact CE2-CG1 3.74Å; Y203-I207 HydrophobicContact CG-CG1 4.37Å; Y203-I207 VanDerWaalsContact CZ-CG1 3.42Å; Y203-I207 WeakPolarHBondContact O-CG1 3.39Å; Y203-I207 PolarHBondContact O-N 2.97Å
204L98.2Very high97.6Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-60-39.5-179.8-76.7173.9000112.5L178 I193 I200 W201 N206 I207 Y208 I250L178-L204 HydrophobicContact CB-CD2 3.98Å; L178-L204 HydrophobicContact CD1-CD2 4.11Å; L178-L204 HydrophobicContact CD1-CG 4.41Å; I193-L204 HydrophobicContact CD1-CD1 3.59Å; I200-L204 HydrophobicContact CG2-CD1 4.07Å; I200-L204 HydrophobicContact CG2-CG 4.38Å; I200-L204 WeakPolarHBondContact O-CB 3.12Å; I200-L204 WeakPolarHBondContact O-CG 3.43Å; I200-L204 PolarHBondContact O-N 2.6Å; W201-L204 HydrophobicContact CE3-CD1 4.09Å; W201-L204 HydrophobicContact CZ3-CD1 4.2Å; W201-L204 PolarHBondContact O-N 3.04Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 3.4Å; L204-I207 PolarHBondContact O-N 3.16Å; L204-Y208 HydrophobicContact CB-CE2 4.25Å; L204-Y208 HydrophobicContact CD2-CE1 4.13Å; L204-Y208 WeakPolarHBondContact O-CB 3.38Å; L204-Y208 WeakPolarHBondContact O-CD2 3.35Å; L204-Y208 PolarHBondContact O-N 3.26Å; L204-I250 HydrophobicContact CB-CD1 4.08Å
205R97.3Very high97.5Very high64 Ų6441.6 Ų41.624%0.24222%0.22CC..Hα-helixtrans-57.1-43.9174.5179.1-169.574.5-167.7-0.5111.7W201 I202 Y203 G209 I250 F254W201-R205 WeakPolarHBondContact O-CB 3.49Å; W201-R205 PolarHBondContact O-N 3.49Å; I202-R205 PolarHBondContact O-N 3.1Å; Y203-R205 VanDerWaalsContact C-N 3.31Å; Y203-R205 PolarHBondContact O-N 2.97Å; R205-G209 PolarHBondContact O-N 2.91Å; R205-I250 HydrophobicContact CB-CD1 4.05Å; R205-I250 HydrophobicContact CB-CG1 4.12Å; R205-I250 HydrophobicContact CB-CG2 4.37Å; R205-I250 HydrophobicContact CG-CG1 4.47Å; R205-F254 WeakPolarHBondContact CD-O 3.36Å; R205-F254 PolarHBondContact NH1-O 3.31Å
206N97.2Very high97.6Very high30 Ų3037.1 Ų37.116%0.1620%0.197CC..Hα-helixtrans-70.9-42.7-179.7-56.1-31.5000110.7P160 Y161 I202 Y203 L204 Y208 G209P160-N206 WeakPolarHBondContact CA-ND2 3.3Å; P160-N206 HydrophobicContact CB-CB 4.28Å; P160-N206 WeakPolarHBondContact CB-ND2 3.16Å; P160-N206 PolarHBondContact O-ND2 3.03Å; Y161-N206 HydrophobicContact CD1-CB 4.46Å; Y161-N206 HydrophobicContact CE1-CB 3.98Å; I202-N206 VanDerWaalsContact O-CG 3.24Å; I202-N206 PolarHBondContact O-N 2.77Å; I202-N206 PolarHBondContact O-ND2 3.04Å; Y203-N206 PolarHBondContact O-N 2.96Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 3.4Å; N206-Y208 VanDerWaalsContact C-N 3.35Å; N206-Y208 PolarHBondContact O-N 3.49Å; N206-G209 WeakPolarHBondContact O-CA 3.5Å; N206-G209 PolarHBondContact O-N 3.49Å
207I98.2Very high97.6Very high0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-58.7-43.8174.6-70.3-61.6000111.8M34 Y161 D171 A175 Y203 L204 G209 L210 F213M34-I207 HydrophobicContact CE-CD1 4.41Å; Y161-I207 HydrophobicContact CD1-CD1 3.98Å; Y161-I207 HydrophobicContact CE1-CD1 4.41Å; D171-I207 HydrophobicContact CB-CD1 4.29Å; A175-I207 HydrophobicContact CB-CD1 4.3Å; A175-I207 HydrophobicContact CB-CG1 4.33Å; A175-I207 HydrophobicContact CB-CG2 3.67Å; Y203-I207 HydrophobicContact CD1-CG1 4.07Å; Y203-I207 HydrophobicContact CD2-CG1 4.21Å; Y203-I207 HydrophobicContact CE1-CD1 4.33Å; Y203-I207 HydrophobicContact CE1-CG1 3.59Å; Y203-I207 HydrophobicContact CE2-CD1 3.89Å; Y203-I207 HydrophobicContact CE2-CG1 3.74Å; Y203-I207 HydrophobicContact CG-CG1 4.37Å; Y203-I207 VanDerWaalsContact CZ-CG1 3.42Å; Y203-I207 WeakPolarHBondContact O-CG1 3.39Å; Y203-I207 PolarHBondContact O-N 2.97Å; L204-I207 PolarHBondContact O-N 3.16Å; I207-G209 PolarHBondContact O-N 3.1Å; I207-L210 HydrophobicContact CD1-CD1 4.06Å; I207-L210 WeakPolarHBondContact O-CB 3.3Å; I207-L210 PolarHBondContact O-N 3.41Å; I207-F213 HydrophobicContact CG2-CB 3.98Å; I207-F213 HydrophobicContact CG2-CD1 3.99Å; I207-F213 HydrophobicContact CG2-CD2 3.43Å; I207-F213 VanDerWaalsContact CG2-CD2 3.43Å; I207-F213 HydrophobicContact CG2-CE1 4.37Å; I207-F213 HydrophobicContact CG2-CE2 3.86Å; I207-F213 HydrophobicContact CG2-CG 3.5Å; I207-F213 VanDerWaalsContact CG2-CG 3.5Å; I207-F213 HydrophobicContact CG2-CZ 4.31Å; I207-F213 WeakPolarHBondContact O-CB 3.42Å
208Y98.1Very high97.7Very high15 Ų1530.7 Ų30.76%0.05916%0.163CC..THydrogen-bonded Turntrans-69.2-10.3176.5-63.1-15.2000113.3Q179 R182 L204 N206 F213 K214 L248 I250Q179-Y208 VanDerWaalsContact OE1-CE1 3.31Å; Q179-Y208 PolarHBondContact OE1-OH 3.08Å; R182-Y208 WeakPolarHBondContact CD-OH 3.08Å; R182-Y208 VanDerWaalsContact NH1-CE2 3.32Å; R182-Y208 PolarHBondContact NH1-OH 3.47Å; L204-Y208 HydrophobicContact CB-CE2 4.25Å; L204-Y208 HydrophobicContact CD2-CE1 4.13Å; L204-Y208 WeakPolarHBondContact O-CB 3.38Å; L204-Y208 WeakPolarHBondContact O-CD2 3.35Å; L204-Y208 PolarHBondContact O-N 3.26Å; N206-Y208 VanDerWaalsContact C-N 3.35Å; N206-Y208 PolarHBondContact O-N 3.49Å; Y208-F213 AromaticContact CD1-CD1 3.88Å; Y208-F213 HydrophobicContact CD1-CD1 3.88Å; Y208-F213 AromaticContact CD1-CE1 3.45Å; Y208-F213 HydrophobicContact CD1-CE1 3.45Å; Y208-F213 VanDerWaalsContact CD1-CE1 3.45Å; Y208-F213 HydrophobicContact CD1-CZ 4.1Å; Y208-F213 HydrophobicContact CE1-CD1 4.39Å; Y208-F213 AromaticContact CE1-CE1 3.53Å; Y208-F213 HydrophobicContact CE1-CE1 3.53Å; Y208-F213 AromaticContact CE1-CZ 3.77Å; Y208-F213 HydrophobicContact CE1-CZ 3.77Å; Y208-K214 WeakPolarHBondContact O-CE 3.37Å; Y208-K214 PolarHBondContact O-NZ 2.92Å; Y208-L248 HydrophobicContact CD1-CD2 3.5Å; Y208-L248 VanDerWaalsContact CD1-CD2 3.5Å; Y208-L248 HydrophobicContact CD2-CB 4.14Å; Y208-L248 HydrophobicContact CD2-CD2 4.28Å; Y208-L248 WeakPolarHBondContact CD2-O 3.4Å; Y208-L248 HydrophobicContact CE1-CD2 3.8Å; Y208-L248 HydrophobicContact CG-CB 4.27Å; Y208-L248 HydrophobicContact CG-CD2 3.75Å; Y208-I250 HydrophobicContact CD2-CD1 3.56Å; Y208-I250 HydrophobicContact CD2-CG1 3.92Å; Y208-I250 HydrophobicContact CE2-CD1 3.65Å; Y208-I250 HydrophobicContact CE2-CG1 4.35Å
209G96.6Very high97.8Very high48 Ų4828.1 Ų28.150%0.49515%0.15SC..THydrogen-bonded Turntrans-76.1-24.816800000113.3R205 N206 I207 K214R205-G209 PolarHBondContact O-N 2.91Å; N206-G209 WeakPolarHBondContact O-CA 3.5Å; N206-G209 PolarHBondContact O-N 3.49Å; I207-G209 PolarHBondContact O-N 3.1Å; G209-K214 PolarHBondContact O-NZ 3.04Å
210L97.7Very high97.8Very high26 Ų2626.3 Ų26.314%0.13614%0.144CC..  trans-80.7136.8-171.1-62.4177000113.2Y161 I167 I207 F213 K214Y161-L210 HydrophobicContact CD1-CD1 4.43Å; Y161-L210 HydrophobicContact CE1-CD1 3.74Å; Y161-L210 HydrophobicContact CE1-CD2 4.35Å; Y161-L210 HydrophobicContact CE1-CG 4.21Å; Y161-L210 WeakPolarHBondContact OH-CD2 3.49Å; I167-L210 HydrophobicContact CB-CD1 4.43Å; I167-L210 HydrophobicContact CD1-CD1 3.47Å; I167-L210 VanDerWaalsContact CD1-CD1 3.47Å; I167-L210 HydrophobicContact CG1-CD1 4.29Å; I207-L210 HydrophobicContact CD1-CD1 4.06Å; I207-L210 WeakPolarHBondContact O-CB 3.3Å; I207-L210 PolarHBondContact O-N 3.41Å; L210-F213 HydrophobicContact CB-CB 4.23Å; L210-F213 PolarHBondContact O-N 3.03Å; L210-K214 WeakPolarHBondContact O-CG 3.01Å; L210-K214 PolarHBondContact O-N 3.11Å; L210-K214 VanDerWaalsContact O-N 3.16Å
211N97.9Very high97.8Very high93 Ų9328 Ų2850%0.49715%0.151SC..Hα-helixtrans-68.9-43.6172.9-66.4-23.5000110.7E41 F213 K214 D215E41-N211 WeakPolarHBondContact OE1-CB 3.45Å; N211-F213 PolarHBondContact O-N 3.1Å; N211-F213 VanDerWaalsContact O-N 3.1Å; N211-K214 PolarHBondContact O-N 2.77Å; N211-D215 WeakPolarHBondContact O-CB 3.18Å; N211-D215 VanDerWaalsContact O-CG 3.27Å; N211-D215 PolarHBondContact O-N 2.94Å
212S97.7Very high97.8Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-50.2-36.5173.162.90000114.5C38 E41 S216C38-S212 VanDerWaalsContact SG-CB 3.56Å; C38-S212 PolarHBondContact SG-OG 3.29Å; E41-S212 PolarHBondContact OE1-N 2.92Å; S212-S216 WeakPolarHBondContact O-CB 3.35Å; S212-S216 PolarHBondContact O-N 2.99Å; S212-S216 PolarHBondContact O-OG 3.18Å
213F98.6Very high97.9Very high0 Ų025.4 Ų25.40%014%0.137CC..Hα-helixtrans-74.3-50.1172.5-178.8-95.8000112.2M34 A175 Q179 I207 Y208 L210 N211 D215 S216 C217 L248M34-F213 HydrophobicContact CE-CB 4.05Å; M34-F213 HydrophobicContact CE-CD2 4.17Å; M34-F213 HydrophobicContact SD-CB 4.34Å; M34-F213 HydrophobicContact SD-CD2 3.91Å; A175-F213 HydrophobicContact CB-CD2 3.8Å; A175-F213 HydrophobicContact CB-CE2 3.78Å; Q179-F213 HydrophobicContact CB-CZ 4.05Å; Q179-F213 HydrophobicContact CG-CZ 4.05Å; I207-F213 HydrophobicContact CG2-CB 3.98Å; I207-F213 HydrophobicContact CG2-CD1 3.99Å; I207-F213 HydrophobicContact CG2-CD2 3.43Å; I207-F213 VanDerWaalsContact CG2-CD2 3.43Å; I207-F213 HydrophobicContact CG2-CE1 4.37Å; I207-F213 HydrophobicContact CG2-CE2 3.86Å; I207-F213 HydrophobicContact CG2-CG 3.5Å; I207-F213 VanDerWaalsContact CG2-CG 3.5Å; I207-F213 HydrophobicContact CG2-CZ 4.31Å; I207-F213 WeakPolarHBondContact O-CB 3.42Å; Y208-F213 AromaticContact CD1-CD1 3.88Å; Y208-F213 HydrophobicContact CD1-CD1 3.88Å; Y208-F213 AromaticContact CD1-CE1 3.45Å; Y208-F213 HydrophobicContact CD1-CE1 3.45Å; Y208-F213 VanDerWaalsContact CD1-CE1 3.45Å; Y208-F213 HydrophobicContact CD1-CZ 4.1Å; Y208-F213 HydrophobicContact CE1-CD1 4.39Å; Y208-F213 AromaticContact CE1-CE1 3.53Å; Y208-F213 HydrophobicContact CE1-CE1 3.53Å; Y208-F213 AromaticContact CE1-CZ 3.77Å; Y208-F213 HydrophobicContact CE1-CZ 3.77Å; L210-F213 HydrophobicContact CB-CB 4.23Å; L210-F213 PolarHBondContact O-N 3.03Å; N211-F213 PolarHBondContact O-N 3.1Å; N211-F213 VanDerWaalsContact O-N 3.1Å; F213-D215 VanDerWaalsContact C-N 3.31Å; F213-D215 PolarHBondContact O-N 2.81Å; F213-S216 PolarHBondContact O-N 3.08Å; F213-S216 PolarHBondContact O-OG 2.83Å; F213-S216 VanDerWaalsContact O-OG 3.08Å; F213-C217 HydrophobicContact CD1-CB 4.41Å; F213-C217 HydrophobicContact CE1-CB 4.04Å; F213-C217 HydrophobicContact CZ-CB 4.17Å; F213-C217 WeakPolarHBondContact O-CB 3.4Å; F213-C217 PolarHBondContact O-N 2.8Å; F213-L248 HydrophobicContact CD1-CD2 4.32Å; F213-L248 HydrophobicContact CE1-CD2 3.74Å
214K98.1Very high98Very high76 Ų7626 Ų2633%0.3314%0.141SC..Hα-helixtrans-58.8-42.9-179.2-69.4168.7-1731620112.2Y208 G209 L210 N211 S216 L248Y208-K214 WeakPolarHBondContact O-CE 3.37Å; Y208-K214 PolarHBondContact O-NZ 2.92Å; G209-K214 PolarHBondContact O-NZ 3.04Å; L210-K214 WeakPolarHBondContact O-CG 3.01Å; L210-K214 PolarHBondContact O-N 3.11Å; L210-K214 VanDerWaalsContact O-N 3.16Å; N211-K214 PolarHBondContact O-N 2.77Å; K214-S216 VanDerWaalsContact C-N 3.32Å; K214-S216 PolarHBondContact O-N 3.21Å; K214-L248 HydrophobicContact CG-CD1 4.32Å
215D97.1Very high97.9Very high95 Ų9528.2 Ų28.251%0.50815%0.151SC..Hα-helixtrans-73-27.7-177.3-65.3-18.4000111.9K23 N211 F213K23-D215 WeakPolarHBondContact CD-O 3.13Å; K23-D215 WeakPolarHBondContact CE-O 3.31Å; K23-D215 PolarHBondContact NZ-O 3.24Å; N211-D215 WeakPolarHBondContact O-CB 3.18Å; N211-D215 VanDerWaalsContact O-CG 3.27Å; N211-D215 PolarHBondContact O-N 2.94Å; F213-D215 VanDerWaalsContact C-N 3.31Å; F213-D215 PolarHBondContact O-N 2.81Å
216S98.3Very high97.9Very high2 Ų226.9 Ų26.91%0.01415%0.148CC..Hα-helixtrans-91.9-23177.667.30000114.1K23 Q30 M34 S212 F213 K214K23-S216 WeakPolarHBondContact CD-O 3.2Å; K23-S216 WeakPolarHBondContact CE-O 3.35Å; Q30-S216 WeakPolarHBondContact CG-O 3.38Å; M34-S216 WeakPolarHBondContact CB-OG 3.33Å; S212-S216 WeakPolarHBondContact O-CB 3.35Å; S212-S216 PolarHBondContact O-N 2.99Å; S212-S216 PolarHBondContact O-OG 3.18Å; F213-S216 PolarHBondContact O-N 3.08Å; F213-S216 PolarHBondContact O-OG 2.83Å; F213-S216 VanDerWaalsContact O-OG 3.08Å; K214-S216 VanDerWaalsContact C-N 3.32Å; K214-S216 PolarHBondContact O-N 3.21Å
217C98.6Very high98Very high0 Ų025.5 Ų25.50%014%0.141CC..PPolyproline II helixtrans-72.3126.3-177.5-171.30000112.4K23 F213 I246K23-C217 WeakPolarHBondContact CE-O 3.48Å; K23-C217 PolarHBondContact NZ-O 3.47Å; F213-C217 HydrophobicContact CD1-CB 4.41Å; F213-C217 HydrophobicContact CE1-CB 4.04Å; F213-C217 HydrophobicContact CZ-CB 4.17Å; F213-C217 WeakPolarHBondContact O-CB 3.4Å; F213-C217 PolarHBondContact O-N 2.8Å; C217-I246 HydrophobicContact CB-CD1 4.3Å; C217-I246 HydrophobicContact CB-CG2 4.22Å; C217-I246 VanDerWaalsContact SG-CG2 3.51Å
218P98.2Very high98Very high1 Ų127.3 Ų27.31%0.00615%0.15CC..PPolyproline II helixtrans-66.1160.8171.932.7-40000110.9A25 I223A25-P218 HydrophobicContact CB-CB 4.18Å; A25-P218 HydrophobicContact CB-CG 3.89Å; P218-I223 HydrophobicContact CB-CG1 4.39Å; P218-I223 HydrophobicContact CG-CD1 3.89Å; P218-I223 HydrophobicContact CG-CG1 3.56Å
219A98.1Very high97.9Very high8 Ų832.3 Ų32.37%0.06618%0.177CC..PPolyproline II helixtrans-61149.217100000111R221 D222 I223 S244A219-R221 HydrophobicContact CB-CG 4.09Å; A219-R221 PolarHBondContact O-N 3.12Å; A219-D222 PolarHBondContact O-N 3.42Å; A219-I223 PolarHBondContact O-N 3.36Å; A219-S244 WeakPolarHBondContact CB-O 3.11Å
220T98.3Very high97.8Very high33 Ų3334.1 Ų34.120%0.20217%0.171CC..Hα-helixtrans-54.6-40.5179.6-53.90000111V183 D222 I223 L224 D245 L247V183-T220 HydrophobicContact CB-CG2 4.46Å; V183-T220 HydrophobicContact CG1-CG2 3.64Å; V183-T220 HydrophobicContact CG2-CG2 3.99Å; T220-D222 VanDerWaalsContact C-N 3.3Å; T220-D222 PolarHBondContact O-N 3.21Å; T220-I223 PolarHBondContact O-N 3.47Å; T220-L224 HydrophobicContact CG2-CD1 4.48Å; T220-L224 WeakPolarHBondContact O-CG 3.37Å; T220-L224 PolarHBondContact O-N 2.94Å; T220-L224 VanDerWaalsContact O-N 3.09Å; T220-D245 VanDerWaalsContact CB-O 3.25Å; T220-D245 WeakPolarHBondContact CB-O 3.29Å; T220-D245 PolarHBondContact N-O 3.41Å; T220-D245 PolarHBondContact OG1-O 2.62Å; T220-L247 HydrophobicContact CG2-CB 4.41Å; T220-L247 PolarHBondContact OG1-N 3.37Å
221R97.8Very high97.7Very high37 Ų3735.7 Ų35.714%0.1418%0.177CC..Hα-helixtrans-58.1-39.1177.676.4-178.6171.1-152-3113S18 E22 A219 L224 M225 P239 T242 G243S18-R221 PolarHBondContact OG-NE 3.45Å; E22-R221 IonicContact OE1-NH2 2.83Å; E22-R221 IonicContact OE2-NH2 2.87Å; E22-R221 PolarHBondContact OE2-NH2 3.28Å; A219-R221 HydrophobicContact CB-CG 4.09Å; A219-R221 PolarHBondContact O-N 3.12Å; R221-L224 WeakPolarHBondContact O-CB 3.47Å; R221-L224 PolarHBondContact O-N 3.32Å; R221-M225 VanDerWaalsContact O-CG 3.29Å; R221-M225 WeakPolarHBondContact O-CG 3.31Å; R221-M225 PolarHBondContact O-N 3.18Å; R221-P239 HydrophobicContact CB-CB 4.15Å; R221-T242 WeakPolarHBondContact CB-OG1 3.32Å; R221-T242 WeakPolarHBondContact CD-O 3.46Å; R221-T242 PolarHBondContact NH1-O 2.98Å; R221-G243 WeakPolarHBondContact CD-O 3.38Å
222D98.2Very high97.7Very high2 Ų240.1 Ų40.11%0.01119%0.187CC..Hα-helixtrans-79.5-28.7-174.7-69-72.8000112A16 L17 S18 A219 T220 H226A16-D222 HydrophobicContact CB-CB 4.31Å; A16-D222 WeakPolarHBondContact CB-OD1 3.5Å; L17-D222 PolarHBondContact N-OD1 3.48Å; S18-D222 WeakPolarHBondContact CB-OD1 3.31Å; S18-D222 PolarHBondContact N-OD1 2.91Å; S18-D222 PolarHBondContact OG-OD1 3.33Å; S18-D222 PolarHBondContact OG-OD2 2.92Å; A219-D222 PolarHBondContact O-N 3.42Å; T220-D222 VanDerWaalsContact C-N 3.3Å; T220-D222 PolarHBondContact O-N 3.21Å; D222-H226 VanDerWaalsContact O-CB 3.24Å; D222-H226 WeakPolarHBondContact O-CB 3.34Å; D222-H226 PolarHBondContact O-N 3.14Å
223I98.6Very high97.7Very high0 Ų041 Ų410%019%0.191CC..Hα-helixtrans-61.4-49.5165.3-60.7173.3000109.1A25 Q179 V183 P218 A219 T220 M225 H226 Y227A25-I223 HydrophobicContact CB-CB 4.22Å; A25-I223 HydrophobicContact CB-CG1 3.79Å; Q179-I223 HydrophobicContact CG-CD1 4.06Å; V183-I223 HydrophobicContact CB-CB 4.44Å; V183-I223 HydrophobicContact CB-CD1 4.34Å; V183-I223 HydrophobicContact CB-CG2 3.95Å; V183-I223 HydrophobicContact CG1-CB 3.87Å; V183-I223 HydrophobicContact CG1-CD1 4.49Å; V183-I223 HydrophobicContact CG1-CG2 3.69Å; V183-I223 HydrophobicContact CG2-CD1 4.01Å; P218-I223 HydrophobicContact CB-CG1 4.39Å; P218-I223 HydrophobicContact CG-CD1 3.89Å; P218-I223 HydrophobicContact CG-CG1 3.56Å; A219-I223 PolarHBondContact O-N 3.36Å; T220-I223 PolarHBondContact O-N 3.47Å; I223-M225 PolarHBondContact O-N 3.14Å; I223-H226 WeakPolarHBondContact O-CB 3.27Å; I223-H226 PolarHBondContact O-N 3.4Å; I223-H226 VanDerWaalsContact O-N 3.17Å; I223-Y227 HydrophobicContact CG2-CD2 3.92Å; I223-Y227 HydrophobicContact CG2-CE2 3.69Å; I223-Y227 WeakPolarHBondContact O-CD2 3.34Å; I223-Y227 PolarHBondContact O-N 2.91Å; I223-Y227 VanDerWaalsContact O-N 3.16Å
224L98.4Very high97.6Very high16 Ų1642.5 Ų42.58%0.08420%0.201CC..Hα-helixtrans-60.7-47179.2-65.7177000112.2V183 A187 T220 R221 H226 Y227 D228 L233 I237 P239V183-L224 HydrophobicContact CG1-CD2 3.63Å; V183-L224 HydrophobicContact CG1-CG 3.79Å; A187-L224 HydrophobicContact CB-CD2 3.33Å; T220-L224 HydrophobicContact CG2-CD1 4.48Å; T220-L224 WeakPolarHBondContact O-CG 3.37Å; T220-L224 PolarHBondContact O-N 2.94Å; T220-L224 VanDerWaalsContact O-N 3.09Å; R221-L224 WeakPolarHBondContact O-CB 3.47Å; R221-L224 PolarHBondContact O-N 3.32Å; L224-H226 VanDerWaalsContact C-N 3.27Å; L224-H226 PolarHBondContact O-N 3.39Å; L224-Y227 PolarHBondContact O-N 3.39Å; L224-Y227 VanDerWaalsContact O-N 3.15Å; L224-D228 PolarHBondContact O-N 2.94Å; L224-L233 HydrophobicContact CB-CD1 4.01Å; L224-L233 HydrophobicContact CD2-CD2 4.28Å; L224-I237 HydrophobicContact CD1-CG2 4.08Å; L224-P239 HydrophobicContact CB-CB 4.05Å; L224-P239 HydrophobicContact CB-CG 3.53Å; L224-P239 HydrophobicContact CD1-CG 4.07Å; L224-P239 HydrophobicContact CG-CG 4.47Å
225M97.8Very high97.5Very high46 Ų4648 Ų4823%0.22723%0.225CC..Hα-helixtrans-61.4-35.6176.1-68178.478.200112L17 R221 I223 Y227 D228 L229 P239L17-M225 HydrophobicContact CB-CB 4.12Å; L17-M225 HydrophobicContact CB-CE 3.68Å; L17-M225 HydrophobicContact CB-SD 4.1Å; L17-M225 HydrophobicContact CD1-CB 3.63Å; R221-M225 VanDerWaalsContact O-CG 3.29Å; R221-M225 WeakPolarHBondContact O-CG 3.31Å; R221-M225 PolarHBondContact O-N 3.18Å; I223-M225 PolarHBondContact O-N 3.14Å; M225-Y227 VanDerWaalsContact C-N 3.32Å; M225-Y227 PolarHBondContact O-N 3.35Å; M225-D228 PolarHBondContact O-N 2.99Å; M225-L229 WeakPolarHBondContact O-CG 3.34Å; M225-L229 PolarHBondContact O-N 3.26Å; M225-P239 HydrophobicContact CG-CB 3.72Å; M225-P239 HydrophobicContact CG-CG 4.34Å
226H97.4Very high97.4Very high37 Ų3750.2 Ų50.217%0.17123%0.232CC..Hα-helixtrans-61.8-38.3175.5174.189000112.7A25 D222 I223 L224 K230A25-H226 HydrophobicContact CB-CB 3.88Å; D222-H226 VanDerWaalsContact O-CB 3.24Å; D222-H226 WeakPolarHBondContact O-CB 3.34Å; D222-H226 PolarHBondContact O-N 3.14Å; I223-H226 WeakPolarHBondContact O-CB 3.27Å; I223-H226 PolarHBondContact O-N 3.4Å; I223-H226 VanDerWaalsContact O-N 3.17Å; L224-H226 VanDerWaalsContact C-N 3.27Å; L224-H226 PolarHBondContact O-N 3.39Å; H226-K230 PolarHBondContact CD2-NZ 3.14Å; H226-K230 PolarHBondContact NE2-NZ 3.28Å
227Y98Very high97.3Very high1 Ų152.3 Ų52.30%0.00424%0.243CC..Hα-helixtrans-78.9-32.8174.6-72.7-79.2000112.8Y128 L131 M132 I135 H180 A184 Y188 I223 L224 M225 L229 K230 K231Y128-Y227 HydrophobicContact CE2-CE1 4.39Å; L131-Y227 HydrophobicContact CD2-CE1 4.46Å; L131-Y227 WeakPolarHBondContact CD2-OH 3.49Å; M132-Y227 HydrophobicContact SD-CD1 3.99Å; M132-Y227 HydrophobicContact SD-CE1 3.57Å; M132-Y227 VanDerWaalsContact SD-CE1 3.57Å; I135-Y227 HydrophobicContact CD1-CD1 3.48Å; I135-Y227 VanDerWaalsContact CD1-CD1 3.48Å; I135-Y227 HydrophobicContact CD1-CE1 3.53Å; I135-Y227 HydrophobicContact CD1-CG 4.22Å; H180-Y227 HydrophobicContact CB-CE2 4.32Å; H180-Y227 WeakPolarHBondContact CB-OH 3.5Å; H180-Y227 AromaticContact ND1-CE2 3.38Å; H180-Y227 WeakPolarHBondContact ND1-CE2 3.03Å; H180-Y227 AromaticContact ND1-CZ 3.55Å; H180-Y227 PolarHBondContact ND1-OH 3.15Å; A184-Y227 HydrophobicContact CB-CD2 3.78Å; A184-Y227 HydrophobicContact CB-CE2 3.79Å; A184-Y227 HydrophobicContact CB-CG 4.21Å; Y188-Y227 HydrophobicContact CE2-CG 4.5Å; Y188-Y227 WeakPolarHBondContact OH-CB 3.43Å; Y188-Y227 PolarHBondContact OH-O 2.91Å; I223-Y227 HydrophobicContact CG2-CD2 3.92Å; I223-Y227 HydrophobicContact CG2-CE2 3.69Å; I223-Y227 WeakPolarHBondContact O-CD2 3.34Å; I223-Y227 PolarHBondContact O-N 2.91Å; I223-Y227 VanDerWaalsContact O-N 3.16Å; L224-Y227 PolarHBondContact O-N 3.39Å; L224-Y227 VanDerWaalsContact O-N 3.15Å; M225-Y227 VanDerWaalsContact C-N 3.32Å; M225-Y227 PolarHBondContact O-N 3.35Å; Y227-L229 PolarHBondContact O-N 2.92Å; Y227-K230 WeakPolarHBondContact O-CA 3.37Å; Y227-K230 WeakPolarHBondContact O-CB 3.48Å; Y227-K230 PolarHBondContact O-N 3.19Å; Y227-K231 PolarHBondContact O-N 3.41Å
228D97.5Very high97.1Very high38 Ų3860 Ų6020%0.20327%0.272CS..Hα-helixtrans-58.7-30.3177.2-169.653.8000112.8Y188 L224 M225 K230 K231 R232 L233Y188-D228 PolarHBondContact OH-N 3.01Å; L224-D228 PolarHBondContact O-N 2.94Å; M225-D228 PolarHBondContact O-N 2.99Å; D228-K230 PolarHBondContact O-N 3.11Å; D228-K231 WeakPolarHBondContact CA-O 3.38Å; D228-R232 VanDerWaalsContact OD1-CA 3.29Å; D228-R232 WeakPolarHBondContact OD1-CA 3.41Å; D228-R232 WeakPolarHBondContact OD1-CD 3.44Å; D228-R232 IonicContact OD1-NH1 3.54Å; D228-R232 IonicContact OD2-CZ 2.67Å; D228-R232 IonicContact OD2-NH1 3.47Å; D228-R232 PolarHBondContact OD2-NH1 2.57Å; D228-L233 HydrophobicContact CB-CD1 3.81Å; D228-L233 HydrophobicContact CB-CG 3.99Å; D228-L233 PolarHBondContact OD1-N 2.92Å
229L96.1Very high97Very high119 Ų11960.4 Ų60.462%0.62328%0.275SS*.THydrogen-bonded Turntrans-65-23172.3-66.5-179.2000113.8L17 M225 Y227L17-L229 HydrophobicContact CD1-CD1 3.67Å; L17-L229 HydrophobicContact CD1-CG 4.15Å; L17-L229 HydrophobicContact CD2-CD1 4.22Å; M225-L229 WeakPolarHBondContact O-CG 3.34Å; M225-L229 PolarHBondContact O-N 3.26Å; Y227-L229 PolarHBondContact O-N 2.92Å
230K95.6Very high96.7Very high86 Ų8664.5 Ų64.537%0.37430%0.303SS..THydrogen-bonded Turntrans-101.7-44.6-177.1-57174.7-167.3158.30111.9Y128 M132 H226 Y227 D228Y128-K230 PolarHBondContact OH-NZ 2.86Å; M132-K230 HydrophobicContact CE-CB 4.46Å; M132-K230 HydrophobicContact CE-CD 3.78Å; M132-K230 HydrophobicContact SD-CD 4.2Å; H226-K230 PolarHBondContact CD2-NZ 3.14Å; H226-K230 PolarHBondContact NE2-NZ 3.28Å; Y227-K230 WeakPolarHBondContact O-CA 3.37Å; Y227-K230 WeakPolarHBondContact O-CB 3.48Å; Y227-K230 PolarHBondContact O-N 3.19Å; D228-K230 PolarHBondContact O-N 3.11Å
231K96.4Very high96.4Very high60 Ų6069.1 Ų69.126%0.26133%0.326SS..SBendtrans-138.9126.6174.7-179174-179.2168.80107.8I135 M136 Y188 Y227 D228 L233I135-K231 HydrophobicContact CG2-CB 4.14Å; I135-K231 HydrophobicContact CG2-CD 3.81Å; I135-K231 WeakPolarHBondContact O-CD 3.38Å; I135-K231 WeakPolarHBondContact O-CE 3.13Å; I135-K231 PolarHBondContact O-NZ 3.3Å; M136-K231 PolarHBondContact O-NZ 3.38Å; M136-K231 HydrophobicContact SD-CB 3.95Å; M136-K231 HydrophobicContact SD-CD 4Å; M136-K231 HydrophobicContact SD-CG 4.38Å; Y188-K231 HydrophobicContact CD1-CD 4.23Å; Y188-K231 HydrophobicContact CD1-CG 4.49Å; Y188-K231 HydrophobicContact CE1-CB 4.05Å; Y188-K231 HydrophobicContact CE1-CD 4.08Å; Y188-K231 HydrophobicContact CE1-CG 3.88Å; Y188-K231 WeakPolarHBondContact CE1-O 3.44Å; Y188-K231 PolarHBondContact OH-O 3.45Å; Y227-K231 PolarHBondContact O-N 3.41Å; D228-K231 WeakPolarHBondContact CA-O 3.38Å; K231-L233 PolarHBondContact O-N 2.77Å
232R97.3Very high96.1Very high186 Ų18670.6 Ų70.670%0.70234%0.339SS*.PPolyproline II helixtrans-58.7132.8179.9-70.9-61-171.2-175.3-1.5111.6D228D228-R232 VanDerWaalsContact OD1-CA 3.29Å; D228-R232 WeakPolarHBondContact OD1-CA 3.41Å; D228-R232 WeakPolarHBondContact OD1-CD 3.44Å; D228-R232 IonicContact OD1-NH1 3.54Å; D228-R232 IonicContact OD2-CZ 2.67Å; D228-R232 IonicContact OD2-NH1 3.47Å; D228-R232 PolarHBondContact OD2-NH1 2.57Å
233L97.8Very high95.9Very high17 Ų1772.4 Ų72.49%0.08936%0.358CS..PPolyproline II helixtrans-63.7156.6174-74.3165.4000111.1A187 Y188 L224 D228 K231 I237 P239A187-L233 HydrophobicContact CB-CD2 4.06Å; Y188-L233 HydrophobicContact CD2-CD2 4.13Å; Y188-L233 HydrophobicContact CE1-CD2 4.06Å; Y188-L233 HydrophobicContact CE2-CD2 3.51Å; Y188-L233 VanDerWaalsContact CZ-CD2 3.47Å; L224-L233 HydrophobicContact CB-CD1 4.01Å; L224-L233 HydrophobicContact CD2-CD2 4.28Å; D228-L233 HydrophobicContact CB-CD1 3.81Å; D228-L233 HydrophobicContact CB-CG 3.99Å; D228-L233 PolarHBondContact OD1-N 2.92Å; K231-L233 PolarHBondContact O-N 2.77Å; L233-I237 HydrophobicContact CD1-CG2 4.26Å; L233-P239 HydrophobicContact CD1-CG 3.46Å; L233-P239 VanDerWaalsContact CD1-CG 3.46Å
234P96.6Very high95.7Very high32 Ų3275.5 Ų75.521%0.20838%0.38CS..PPolyproline II helixtrans-52.9143.8166-25.836.3000111.8A187 E236 I237A187-P234 WeakPolarHBondContact O-CG 3.49Å; P234-E236 VanDerWaalsContact CB-CD 3.4Å; P234-E236 HydrophobicContact CB-CG 4.37Å; P234-E236 WeakPolarHBondContact CB-OE1 3.33Å; P234-E236 WeakPolarHBondContact CB-OE2 3.19Å; P234-E236 PolarHBondContact O-N 2.96Å; P234-E236 VanDerWaalsContact O-N 3.14Å; P234-I237 HydrophobicContact CB-CG1 4.47Å; P234-I237 HydrophobicContact CG-CD1 4.42Å; P234-I237 PolarHBondContact O-N 2.79Å
235K95Very high95.6Very high191 Ų19180.7 Ų80.783%0.8341%0.407SS*.THydrogen-bonded Turntrans-63.2-25.2-168.7-68.5-178.8179.31770113.9I237K235-I237 VanDerWaalsContact C-N 3.3Å
236E95.3Very high95.6Very high142 Ų14281 Ų8166%0.66441%0.409SS*.THydrogen-bonded Turntrans-73.2-21.7176.663.1-85.9-15500112.7P234P234-E236 VanDerWaalsContact CB-CD 3.4Å; P234-E236 HydrophobicContact CB-CG 4.37Å; P234-E236 WeakPolarHBondContact CB-OE1 3.33Å; P234-E236 WeakPolarHBondContact CB-OE2 3.19Å; P234-E236 PolarHBondContact O-N 2.96Å; P234-E236 VanDerWaalsContact O-N 3.14Å
237I96Very high95.6Very high47 Ų4780.7 Ų80.724%0.24141%0.409CS..  trans-94.6113.6179.5-53.4-173.3000108.9A187 L224 L233 P234 K235 P239A187-I237 VanDerWaalsContact CA-CD1 3.44Å; A187-I237 HydrophobicContact CB-CD1 3.58Å; A187-I237 WeakPolarHBondContact O-CD1 3.39Å; L224-I237 HydrophobicContact CD1-CG2 4.08Å; L233-I237 HydrophobicContact CD1-CG2 4.26Å; P234-I237 HydrophobicContact CB-CG1 4.47Å; P234-I237 HydrophobicContact CG-CD1 4.42Å; P234-I237 PolarHBondContact O-N 2.79Å; K235-I237 VanDerWaalsContact C-N 3.3Å; I237-P239 HydrophobicContact CG2-CG 4.3Å; I237-P239 WeakPolarHBondContact O-CD 3.35Å
238R95.2Very high95.6Very high160 Ų16083.3 Ų83.360%0.60442%0.423SS*.  trans-123.483.5-179.7-61.4-176.4-176.9-170.11.9110.2S240 L241R238-S240 PolarHBondContact O-N 2.86Å; R238-S240 VanDerWaalsContact O-N 3.13Å; R238-L241 HydrophobicContact CB-CB 4.43Å; R238-L241 HydrophobicContact CB-CD1 3.99Å; R238-L241 HydrophobicContact CB-CG 4.08Å; R238-L241 PolarHBondContact O-N 2.94Å
239P94.8Very high95.6Very high11 Ų1184.5 Ų84.57%0.07143%0.429CS..G310 helixtrans-57.9-29.9-176.3-25.335.3000113.5R221 L224 M225 L233 I237 L241 T242R221-P239 HydrophobicContact CB-CB 4.15Å; L224-P239 HydrophobicContact CB-CB 4.05Å; L224-P239 HydrophobicContact CB-CG 3.53Å; L224-P239 HydrophobicContact CD1-CG 4.07Å; L224-P239 HydrophobicContact CG-CG 4.47Å; M225-P239 HydrophobicContact CG-CB 3.72Å; M225-P239 HydrophobicContact CG-CG 4.34Å; L233-P239 HydrophobicContact CD1-CG 3.46Å; L233-P239 VanDerWaalsContact CD1-CG 3.46Å; I237-P239 HydrophobicContact CG2-CG 4.3Å; I237-P239 WeakPolarHBondContact O-CD 3.35Å; P239-L241 PolarHBondContact O-N 3.02Å; P239-L241 VanDerWaalsContact O-N 3.13Å; P239-T242 WeakPolarHBondContact CA-OG1 3.35Å; P239-T242 PolarHBondContact O-N 2.66Å; P239-T242 PolarHBondContact O-OG1 2.95Å
240S92Very high95.7Very high94 Ų9479.6 Ų79.666%0.65740%0.403SS*.G310 helixtrans-62.5-16.2175.956.90000114.6R238R238-S240 PolarHBondContact O-N 2.86Å; R238-S240 VanDerWaalsContact O-N 3.13Å
241L92.8Very high95.7Very high130 Ų13076.8 Ų76.868%0.68139%0.394SS*.G310 helixtrans-101.13.7176.4-55.8-177.1000112.7R238 P239R238-L241 HydrophobicContact CB-CB 4.43Å; R238-L241 HydrophobicContact CB-CD1 3.99Å; R238-L241 HydrophobicContact CB-CG 4.08Å; R238-L241 PolarHBondContact O-N 2.94Å; P239-L241 PolarHBondContact O-N 3.02Å; P239-L241 VanDerWaalsContact O-N 3.13Å
242T92Very high95.7Very high68 Ų6881.4 Ų81.442%0.41742%0.417SS..SBendtrans-103.3151.5-177.759.80000112R221 P239R221-T242 WeakPolarHBondContact CB-OG1 3.32Å; R221-T242 WeakPolarHBondContact CD-O 3.46Å; R221-T242 PolarHBondContact NH1-O 2.98Å; P239-T242 WeakPolarHBondContact CA-OG1 3.35Å; P239-T242 PolarHBondContact O-N 2.66Å; P239-T242 PolarHBondContact O-OG1 2.95Å
243G93.4Very high95.6Very high39 Ų3978.2 Ų78.240%0.40241%0.408SS..  trans-69.3-175.6176.600000113.5R221 D245R221-G243 WeakPolarHBondContact CD-O 3.38Å; G243-D245 PolarHBondContact O-N 3.27Å
244S94.8Very high95.5Very high66 Ų6678 Ų7846%0.46241%0.406SS..SBendtrans-85.217.8179.554.70000113.4A219A219-S244 WeakPolarHBondContact CB-O 3.11Å
245D96.4Very high95.3Very high124 Ų12483.5 Ų83.566%0.66342%0.423SS*.  trans-63.9143.5-175.7-58.6-63.1000112.2T220 G243T220-D245 VanDerWaalsContact CB-O 3.25Å; T220-D245 WeakPolarHBondContact CB-O 3.29Å; T220-D245 PolarHBondContact N-O 3.41Å; T220-D245 PolarHBondContact OG1-O 2.62Å; G243-D245 PolarHBondContact O-N 3.27Å
246I97.6Very high94.9Very high52 Ų5280.1 Ų80.127%0.26741%0.413SS..  trans-103.6129.3175.8-54.7174.5000108.6C217 L248C217-I246 HydrophobicContact CB-CD1 4.3Å; C217-I246 HydrophobicContact CB-CG2 4.22Å; C217-I246 VanDerWaalsContact SG-CG2 3.51Å; I246-L248 HydrophobicContact CB-CD1 4.45Å; I246-L248 HydrophobicContact CB-CG 4.2Å; I246-L248 HydrophobicContact CG2-CD1 4.41Å; I246-L248 HydrophobicContact CG2-CD2 3.73Å; I246-L248 HydrophobicContact CG2-CG 3.87Å; I246-L248 PolarHBondContact O-N 3.12Å
247L97.7Very high94.1Very high31 Ų3179 Ų7916%0.16242%0.418CS..  trans-67.8100175.5-178.469.2000110.6Q179 R182 V183 T220 D249Q179-L247 PolarHBondContact NE2-O 3.02Å; R182-L247 HydrophobicContact CB-CD2 4.01Å; V183-L247 HydrophobicContact CG2-CB 3.98Å; V183-L247 HydrophobicContact CG2-CD2 3.76Å; T220-L247 HydrophobicContact CG2-CB 4.41Å; T220-L247 PolarHBondContact OG1-N 3.37Å; L247-D249 WeakPolarHBondContact CD1-OD1 3.13Å
248L97.9Very high92.9Very high56 Ų5681.5 Ų81.529%0.29344%0.44SS..  trans-123.315.1179.8-58.1177.6000112.6Y208 F213 K214 I246Y208-L248 HydrophobicContact CD1-CD2 3.5Å; Y208-L248 VanDerWaalsContact CD1-CD2 3.5Å; Y208-L248 HydrophobicContact CD2-CB 4.14Å; Y208-L248 HydrophobicContact CD2-CD2 4.28Å; Y208-L248 WeakPolarHBondContact CD2-O 3.4Å; Y208-L248 HydrophobicContact CE1-CD2 3.8Å; Y208-L248 HydrophobicContact CG-CB 4.27Å; Y208-L248 HydrophobicContact CG-CD2 3.75Å; F213-L248 HydrophobicContact CD1-CD2 4.32Å; F213-L248 HydrophobicContact CE1-CD2 3.74Å; K214-L248 HydrophobicContact CG-CD1 4.32Å; I246-L248 HydrophobicContact CB-CD1 4.45Å; I246-L248 HydrophobicContact CB-CG 4.2Å; I246-L248 HydrophobicContact CG2-CD1 4.41Å; I246-L248 HydrophobicContact CG2-CD2 3.73Å; I246-L248 HydrophobicContact CG2-CG 3.87Å; I246-L248 PolarHBondContact O-N 3.12Å
249D97.1Very high90.9Very high63 Ų6379.4 Ų79.434%0.33745%0.449SS..  trans-65.5140.1179.665.9-22.6000111R182 R186 L247R182-D249 IonicContact CZ-OD1 2.94Å; R182-D249 PolarHBondContact NH1-O 3.07Å; R182-D249 IonicContact NH1-OD1 3.76Å; R182-D249 PolarHBondContact NH1-OD1 2.92Å; R182-D249 PolarHBondContact NH2-O 3.16Å; R182-D249 VanDerWaalsContact NH2-O 3.11Å; R182-D249 IonicContact NH2-OD1 3.66Å; R182-D249 PolarHBondContact NH2-OD1 3Å; R182-D249 IonicContact NH2-OD2 3.31Å; R186-D249 IonicContact CZ-OD1 3.83Å; R186-D249 IonicContact CZ-OD2 2.83Å; R186-D249 IonicContact NH1-OD1 3.42Å; R186-D249 IonicContact NH1-OD2 3.85Å; R186-D249 PolarHBondContact NH1-OD2 3.43Å; R186-D249 IonicContact NH2-OD1 3.7Å; R186-D249 PolarHBondContact NH2-OD1 3.4Å; R186-D249 IonicContact NH2-OD2 3.48Å; R186-D249 PolarHBondContact NH2-OD2 2.82Å; L247-D249 WeakPolarHBondContact CD1-OD1 3.13Å
250I97.6Very high88.5Confident16 Ų1685.6 Ų85.68%0.08248%0.482CS..  trans-119.1132.6173.4-65.4-63.8000107.5W201 L204 R205 Y208 F254 R255W201-I250 HydrophobicContact CE3-CD1 4.18Å; W201-I250 HydrophobicContact CZ3-CD1 4.42Å; L204-I250 HydrophobicContact CB-CD1 4.08Å; R205-I250 HydrophobicContact CB-CD1 4.05Å; R205-I250 HydrophobicContact CB-CG1 4.12Å; R205-I250 HydrophobicContact CB-CG2 4.37Å; R205-I250 HydrophobicContact CG-CG1 4.47Å; Y208-I250 HydrophobicContact CD2-CD1 3.56Å; Y208-I250 HydrophobicContact CD2-CG1 3.92Å; Y208-I250 HydrophobicContact CE2-CD1 3.65Å; Y208-I250 HydrophobicContact CE2-CG1 4.35Å; I250-F254 HydrophobicContact CG2-CB 3.56Å; I250-R255 HydrophobicContact CB-CG 4.39Å; I250-R255 HydrophobicContact CG2-CG 4.18Å; I250-R255 PolarHBondContact O-NE 3.2Å; I250-R255 PolarHBondContact O-NH2 2.95Å
251P97.2Very high86.2Confident28 Ų2883.9 Ų83.918%0.18248%0.479CS..  trans-56143.7175.2-2128.9000111L195 W201 K253 F254L195-P251 HydrophobicContact CD2-CB 3.76Å; L195-P251 HydrophobicContact CD2-CG 3.63Å; W201-P251 HydrophobicContact CD2-CG 3.89Å; W201-P251 HydrophobicContact CE3-CG 3.9Å; W201-P251 HydrophobicContact CH2-CG 3.76Å; W201-P251 HydrophobicContact CZ2-CG 3.75Å; W201-P251 HydrophobicContact CZ3-CG 3.85Å; P251-K253 PolarHBondContact O-N 2.91Å; P251-K253 VanDerWaalsContact O-N 3.12Å; P251-F254 HydrophobicContact CB-CD2 3.81Å; P251-F254 HydrophobicContact CB-CE2 4.23Å; P251-F254 HydrophobicContact CG-CD2 3.93Å; P251-F254 HydrophobicContact CG-CE2 4.2Å; P251-F254 PolarHBondContact O-N 2.9Å
252E95.8Very high83.6Confident157 Ų15784.5 Ų84.573%0.73448%0.483SS*.G310 helixtrans-50.6-43.4-170.4-173.9174.3-175.100113.3F254 R255E252-F254 PolarHBondContact O-N 2.94Å; E252-R255 PolarHBondContact O-N 3.34Å
253K95Very high81Confident119 Ų11990.3 Ų90.352%0.51751%0.505SS..G310 helixtrans-60.1-16.1-179.576.5173.9-158.2157.40115.1L195 D198 P251L195-K253 WeakPolarHBondContact O-CE 3.48Å; L195-K253 PolarHBondContact O-NZ 3.15Å; D198-K253 WeakPolarHBondContact OD1-CE 3.46Å; D198-K253 IonicContact OD1-NZ 3.34Å; D198-K253 PolarHBondContact OD1-NZ 3.27Å; P251-K253 PolarHBondContact O-N 2.91Å; P251-K253 VanDerWaalsContact O-N 3.12Å
254F94.9Very high78.6Confident12 Ų12101.9 Ų101.95%0.05354%0.539CS..G310 helixtrans-107.2-8.9-179.4-58.4-66.3000113.5L195 D198 W201 I202 R205 I250 P251 E252L195-F254 HydrophobicContact CD2-CE2 4.37Å; L195-F254 WeakPolarHBondContact O-CZ 3.19Å; D198-F254 HydrophobicContact CB-CE1 3.77Å; D198-F254 HydrophobicContact CB-CZ 4.28Å; D198-F254 WeakPolarHBondContact OD1-CE1 3.38Å; D198-F254 VanDerWaalsContact OD1-CZ 3.26Å; D198-F254 WeakPolarHBondContact OD1-CZ 3.21Å; W201-F254 HydrophobicContact CB-CB 4.33Å; W201-F254 HydrophobicContact CB-CD1 3.79Å; W201-F254 HydrophobicContact CB-CD2 3.37Å; W201-F254 HydrophobicContact CB-CE1 3.72Å; W201-F254 HydrophobicContact CB-CE2 3.3Å; W201-F254 HydrophobicContact CB-CG 3.58Å; W201-F254 HydrophobicContact CB-CZ 3.41Å; W201-F254 VanDerWaalsContact CB-CZ 3.41Å; W201-F254 AromaticContact CD1-CE2 3.17Å; W201-F254 AromaticContact CD1-CZ 3.36Å; W201-F254 HydrophobicContact CD2-CD2 4.14Å; W201-F254 AromaticContact CD2-CE2 3.94Å; W201-F254 HydrophobicContact CD2-CE2 3.94Å; W201-F254 AromaticContact CG-CD2 3.57Å; W201-F254 HydrophobicContact CG-CD2 3.57Å; W201-F254 HydrophobicContact CG-CE1 4.36Å; W201-F254 AromaticContact CG-CE2 3.15Å; W201-F254 HydrophobicContact CG-CE2 3.15Å; W201-F254 HydrophobicContact CG-CG 4.28Å; W201-F254 AromaticContact CG-CZ 3.56Å; W201-F254 HydrophobicContact CG-CZ 3.56Å; W201-F254 AromaticContact NE1-CE2 3.89Å; I202-F254 HydrophobicContact CG1-CD1 4.39Å; R205-F254 WeakPolarHBondContact CD-O 3.36Å; R205-F254 PolarHBondContact NH1-O 3.31Å; I250-F254 HydrophobicContact CG2-CB 3.56Å; P251-F254 HydrophobicContact CB-CD2 3.81Å; P251-F254 HydrophobicContact CB-CE2 4.23Å; P251-F254 HydrophobicContact CG-CD2 3.93Å; P251-F254 HydrophobicContact CG-CE2 4.2Å; P251-F254 PolarHBondContact O-N 2.9Å; E252-F254 PolarHBondContact O-N 2.94Å
255R92.8Very high77.8Confident147 Ų147103.7 Ų103.756%0.55554%0.543SS*.SBendtrans-65.4145.8179-63.3179.8-170.1158.81.8109.8I250 E252I250-R255 HydrophobicContact CB-CG 4.39Å; I250-R255 HydrophobicContact CG2-CG 4.18Å; I250-R255 PolarHBondContact O-NE 3.2Å; I250-R255 PolarHBondContact O-NH2 2.95Å; E252-R255 PolarHBondContact O-N 3.34Å
256L86.5Confident76.8Confident120 Ų120102.6 Ų102.663%0.62854%0.536SS*.PPolyproline II helixtrans-66.5141.3168.5-67.5172.8000108.1S258L256-S258 PolarHBondContact O-N 3.48Å
257P79.7Confident75.7Confident119 Ų119105.4 Ų105.477%0.77355%0.551SS**PPolyproline II helixtrans-56128.6171.817.1-23.2000108.3S259P257-S259 PolarHBondContact O-N 3.17Å
258S70.1Confident74.4Confident99 Ų99109.8 Ų109.869%0.69257%0.574SS**PPolyproline II helixtrans-54.1117.8168.219.80000106.9L256 N260L256-S258 PolarHBondContact O-N 3.48Å; S258-N260 PolarHBondContact O-N 2.99Å
259S53.1Low72.9Confident116 Ų116113.2 Ų113.281%0.81159%0.592SS**  trans-57.896.7163.149.50000105.9P257 G261P257-S259 PolarHBondContact O-N 3.17Å; S259-G261 PolarHBondContact O-N 3.41Å
260N45Very low71.3Confident142 Ų142116.5 Ų116.576%0.75961%0.609SS**  trans-54112.1169.8-78.9-17.5000105.8S258 D262S258-N260 PolarHBondContact O-N 2.99Å; N260-D262 PolarHBondContact O-N 3.14Å
261G42.5Very low69.4Low58 Ų58123.7 Ų123.760%0.59865%0.646SS**  trans-55.6130.617700000109S259 H263S259-G261 PolarHBondContact O-N 3.41Å; G261-H263 PolarHBondContact O-N 3.26Å
262D38Very low67.3Low142 Ų142131.1 Ų131.176%0.75968%0.682SS**  trans-53.8103.6167.1-72-50.6000108.9N260 Y264N260-D262 PolarHBondContact O-N 3.14Å; D262-Y264 HydrophobicContact CB-CD2 4.3Å; D262-Y264 PolarHBondContact O-N 3.48Å
263H38.8Very low64.9Low190 Ų190128.9 Ų128.988%0.8868%0.678SS**  trans-84.294.3154-75.5-65000106.8G261G261-H263 PolarHBondContact O-N 3.26Å
264Y42.6Very low62.2Low283 Ų283129.8 Ų129.8100%1.1169%0.693SS**  trans-117.30157.8-83.8-78.6000108.9D262D262-Y264 HydrophobicContact CB-CD2 4.3Å; D262-Y264 PolarHBondContact O-N 3.48Å

Retrieved 264 of 264 residues in 102.8 ms (Link to these results)

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