G4LXR4_SCHMA Loading...

Pol-related

AlphaFold DB , UniProt , Accession G4LXR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 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
1M83.1Confident95.8Very high90 Ų9071.4 Ų71.444%0.44339%0.393SS..  0138.80-177.5166-172.400108.9P13 V15 R40 F268M1-P13 HydrophobicContact CE-CB 3.82Å; M1-P13 HydrophobicContact CG-CB 4.13Å; M1-P13 HydrophobicContact SD-CB 3.63Å; M1-V15 HydrophobicContact CE-CB 3.71Å; M1-V15 WeakPolarHBondContact CE-O 3.47Å; M1-R40 HydrophobicContact SD-CB 3.93Å; M1-R40 HydrophobicContact SD-CG 4.28Å; M1-R40 PolarHBondContact SD-N 3.47Å; M1-R40 VanDerWaalsContact SD-N 3.4Å; M1-F268 HydrophobicContact CE-CE2 3.77Å; M1-F268 HydrophobicContact SD-CE2 4.11Å
2K92Very high96Very high120 Ų12065.4 Ų65.452%0.52236%0.36SS..  trans-64.6136.3175.9-172.6176.6179.3-175.70109.6V14 F271K2-V14 HydrophobicContact CB-CG2 4.03Å; K2-V14 HydrophobicContact CD-CG2 4.5Å; K2-V14 HydrophobicContact CG-CG1 4.37Å; K2-V14 HydrophobicContact CG-CG2 4.28Å; K2-V14 PolarHBondContact O-N 2.92Å; K2-F271 HydrophobicContact CB-CD1 4.33Å; K2-F271 HydrophobicContact CB-CE1 3.99Å
3S97Very high96.2Very high62 Ų6261.5 Ų61.543%0.43434%0.34SS..EExtended strand (participates in β ladder)trans-131.1159.4178.959.70000111.1I12S3-I12 CarbonylContact C-O 3.54Å; S3-I12 WeakPolarHBondContact CA-O 3.24Å; S3-I12 WeakPolarHBondContact CB-O 3.49Å
4M96.8Very high96.4Very high30 Ų3057.4 Ų57.415%0.14832%0.317CS..EExtended strand (participates in β ladder)trans-112.7137.8173.2-83.1159.835.900109.2S11 I12 V14 T203 D251 T253M4-S11 CarbonylContact O-C 3.53Å; M4-S11 VanDerWaalsContact O-CA 3.25Å; M4-S11 WeakPolarHBondContact O-CA 3.41Å; M4-I12 HydrophobicContact CB-CG2 4.08Å; M4-I12 PolarHBondContact N-O 3.47Å; M4-I12 PolarHBondContact O-N 3.38Å; M4-V14 HydrophobicContact CB-CG1 4.24Å; M4-V14 HydrophobicContact CG-CG1 3.64Å; M4-V14 HydrophobicContact SD-CB 4.49Å; M4-V14 HydrophobicContact SD-CG1 3.68Å; M4-T203 HydrophobicContact CE-CG2 4.06Å; M4-D251 WeakPolarHBondContact CE-O 3.14Å; M4-T253 HydrophobicContact CE-CG2 3.39Å; M4-T253 HydrophobicContact SD-CG2 3.67Å
5K98.1Very high96.5Very high160 Ų16053.5 Ų53.570%0.69630%0.296SS*.EExtended strand (participates in β ladder)trans-77.1127.8177.4-169.6173-177.6179.40109.9
6M98.5Very high96.7Very high4 Ų450.2 Ų50.22%0.0228%0.277CS..  trans-87.4160.3172-63.7-170.9-58.100110.4N8 G9 H10 I12 F73 S155 V178 T203M6-N8 PolarHBondContact O-N 3.48Å; M6-N8 VanDerWaalsContact O-N 3.16Å; M6-G9 PolarHBondContact O-N 3.33Å; M6-H10 HydrophobicContact CE-CB 3.61Å; M6-H10 PolarHBondContact N-O 3.38Å; M6-I12 HydrophobicContact CG-CB 4.29Å; M6-I12 HydrophobicContact CG-CG2 3.89Å; M6-I12 HydrophobicContact SD-CB 4.01Å; M6-I12 HydrophobicContact SD-CG2 4.14Å; M6-F73 HydrophobicContact CE-CE2 3.67Å; M6-F73 HydrophobicContact CE-CZ 3.81Å; M6-F73 HydrophobicContact SD-CE2 4.43Å; M6-F73 HydrophobicContact SD-CZ 4.1Å; M6-S155 WeakPolarHBondContact CE-OG 3.49Å; M6-V178 HydrophobicContact CB-CB 4.1Å; M6-V178 HydrophobicContact CB-CG2 4.17Å; M6-V178 HydrophobicContact CE-CG2 4.14Å; M6-V178 HydrophobicContact CG-CG2 4.36Å; M6-V178 HydrophobicContact SD-CB 4.45Å; M6-V178 HydrophobicContact SD-CG2 3.58Å; M6-V178 VanDerWaalsContact SD-CG2 3.58Å; M6-T203 HydrophobicContact CG-CG2 3.94Å
7S97.5Very high96.8Very high66 Ų6647.4 Ų47.446%0.46226%0.262SS..THydrogen-bonded Turntrans-64.4-20.1-174.351.20000114.6G9 V178 G201S7-G9 VanDerWaalsContact C-N 3.32Å; S7-V178 WeakPolarHBondContact OG-CG1 3.46Å; S7-G201 WeakPolarHBondContact CB-O 3.38Å; S7-G201 PolarHBondContact OG-O 2.9Å
8N97.6Very high96.9Very high65 Ų6545 Ų4535%0.34825%0.25SC..THydrogen-bonded Turntrans-86.64.917366.9-6.4000114.2M6 H10 S155 V178M6-N8 PolarHBondContact O-N 3.48Å; M6-N8 VanDerWaalsContact O-N 3.16Å; N8-H10 VanDerWaalsContact C-N 3.34Å; N8-H10 PolarHBondContact ND2-CD2 3.17Å; N8-H10 PolarHBondContact O-N 3.13Å; N8-H10 PolarHBondContact OD1-N 2.98Å; N8-S155 WeakPolarHBondContact ND2-CB 3.19Å; N8-S155 PolarHBondContact ND2-OG 2.93Å; N8-V178 HydrophobicContact CB-CG1 3.89Å
9G97.3Very high96.9Very high43 Ų4342.6 Ų42.644%0.44324%0.236SC..SBendtrans90-15.6177.600000115.3M6 S7M6-G9 PolarHBondContact O-N 3.33Å; S7-G9 VanDerWaalsContact C-N 3.32Å
10H98Very high96.9Very high88 Ų8845 Ų4541%0.40724%0.241SC..  trans-68.4165.9169.4-68.8-76000111M6 N8M6-H10 HydrophobicContact CE-CB 3.61Å; M6-H10 PolarHBondContact N-O 3.38Å; N8-H10 VanDerWaalsContact C-N 3.34Å; N8-H10 PolarHBondContact ND2-CD2 3.17Å; N8-H10 PolarHBondContact O-N 3.13Å; N8-H10 PolarHBondContact OD1-N 2.98Å
11S98.2Very high96.7Very high57 Ų5747.4 Ų47.440%0.39926%0.255SS..EExtended strand (participates in β ladder)trans-125.6134.7179.8-63.50000111.2M4 F73M4-S11 CarbonylContact O-C 3.53Å; M4-S11 VanDerWaalsContact O-CA 3.25Å; M4-S11 WeakPolarHBondContact O-CA 3.41Å; S11-F73 WeakPolarHBondContact O-CD2 3.41Å
12I98.7Very high97.3Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-101.7126.1177.2-176.9168.1000109.7S3 M4 M6 V14 F73 L106 T203 T253S3-I12 CarbonylContact C-O 3.54Å; S3-I12 WeakPolarHBondContact CA-O 3.24Å; S3-I12 WeakPolarHBondContact CB-O 3.49Å; M4-I12 HydrophobicContact CB-CG2 4.08Å; M4-I12 PolarHBondContact N-O 3.47Å; M4-I12 PolarHBondContact O-N 3.38Å; M6-I12 HydrophobicContact CG-CB 4.29Å; M6-I12 HydrophobicContact CG-CG2 3.89Å; M6-I12 HydrophobicContact SD-CB 4.01Å; M6-I12 HydrophobicContact SD-CG2 4.14Å; I12-V14 PolarHBondContact O-N 2.84Å; I12-F73 HydrophobicContact CB-CD2 4.47Å; I12-F73 HydrophobicContact CB-CE1 4.37Å; I12-F73 HydrophobicContact CB-CE2 3.96Å; I12-F73 HydrophobicContact CB-CZ 3.9Å; I12-F73 HydrophobicContact CD1-CD1 4.5Å; I12-F73 HydrophobicContact CD1-CE1 3.79Å; I12-F73 HydrophobicContact CD1-CZ 3.97Å; I12-F73 HydrophobicContact CG1-CD1 4.14Å; I12-F73 HydrophobicContact CG1-CE1 3.79Å; I12-F73 HydrophobicContact CG1-CE2 4.24Å; I12-F73 HydrophobicContact CG1-CG 4.5Å; I12-F73 HydrophobicContact CG1-CZ 3.84Å; I12-L106 HydrophobicContact CD1-CD2 4.38Å; I12-T203 HydrophobicContact CG2-CG2 4.48Å; I12-T253 HydrophobicContact CD1-CG2 4.44Å; I12-T253 HydrophobicContact CG1-CG2 4.4Å; I12-T253 HydrophobicContact CG2-CG2 3.93Å
13P98.7Very high97.5Very high15 Ų1540.8 Ų40.810%0.09723%0.231CC..EExtended strand (participates in β ladder)trans-62.7132.8172.5-20.231.7000111.1M1 V15 R40 H41 F73M1-P13 HydrophobicContact CE-CB 3.82Å; M1-P13 HydrophobicContact CG-CB 4.13Å; M1-P13 HydrophobicContact SD-CB 3.63Å; P13-V15 PolarHBondContact O-N 3.29Å; P13-V15 VanDerWaalsContact O-N 3.16Å; P13-R40 HydrophobicContact CG-CB 4.23Å; P13-H41 HydrophobicContact CB-CB 3.87Å; P13-H41 HydrophobicContact CG-CB 3.97Å; P13-H41 PolarHBondContact O-ND1 3.23Å; P13-F73 VanDerWaalsContact CD-CB 3.5Å; P13-F73 HydrophobicContact CG-CB 3.93Å
14V98.5Very high97.4Very high3 Ų340 Ų402%0.01823%0.226CC..SBendtrans-73.1-11.4-166.6-54.90000114.5K2 M4 I12 L248 T253 V254 F271K2-V14 HydrophobicContact CB-CG2 4.03Å; K2-V14 HydrophobicContact CD-CG2 4.5Å; K2-V14 HydrophobicContact CG-CG1 4.37Å; K2-V14 HydrophobicContact CG-CG2 4.28Å; K2-V14 PolarHBondContact O-N 2.92Å; M4-V14 HydrophobicContact CB-CG1 4.24Å; M4-V14 HydrophobicContact CG-CG1 3.64Å; M4-V14 HydrophobicContact SD-CB 4.49Å; M4-V14 HydrophobicContact SD-CG1 3.68Å; I12-V14 PolarHBondContact O-N 2.84Å; V14-L248 HydrophobicContact CB-CD2 3.86Å; V14-L248 HydrophobicContact CG2-CD1 4.09Å; V14-L248 HydrophobicContact CG2-CD2 3.88Å; V14-L248 WeakPolarHBondContact O-CD2 3.47Å; V14-T253 HydrophobicContact CB-CG2 4.31Å; V14-T253 HydrophobicContact CG1-CG2 4.38Å; V14-T253 CarbonylContact O-C 3.5Å; V14-T253 VanDerWaalsContact O-CA 3.24Å; V14-T253 WeakPolarHBondContact O-CA 3.37Å; V14-T253 WeakPolarHBondContact O-CB 3.18Å; V14-V254 PolarHBondContact O-N 3.33Å; V14-F271 HydrophobicContact CG2-CE1 3.71Å; V14-F271 HydrophobicContact CG2-CZ 4.21Å
15V98.6Very high97.3Very high0 Ų045.3 Ų45.30%025%0.254CS..BIsolated β-bridgetrans-125.7124.1174-172.70000108.2M1 P13 Y39 L248 V254 I270 F271M1-V15 HydrophobicContact CE-CB 3.71Å; M1-V15 WeakPolarHBondContact CE-O 3.47Å; P13-V15 PolarHBondContact O-N 3.29Å; P13-V15 VanDerWaalsContact O-N 3.16Å; V15-Y39 HydrophobicContact CB-CE1 4.45Å; V15-Y39 HydrophobicContact CG1-CD1 4.24Å; V15-Y39 HydrophobicContact CG1-CE1 3.48Å; V15-Y39 VanDerWaalsContact CG1-CE1 3.48Å; V15-L248 HydrophobicContact CG2-CD1 4.28Å; V15-V254 CarbonylContact C-O 3.53Å; V15-V254 WeakPolarHBondContact CA-O 3.39Å; V15-V254 HydrophobicContact CB-CG2 4.31Å; V15-V254 HydrophobicContact CG1-CG2 4.12Å; V15-V254 HydrophobicContact CG2-CG2 4Å; V15-I270 HydrophobicContact CG2-CD1 3.8Å; V15-I270 HydrophobicContact CG2-CG1 4.36Å; V15-F271 HydrophobicContact CG2-CE1 4.26Å; V15-F271 HydrophobicContact CG2-CZ 3.66Å
16G98.6Very high97.3Very high0 Ų039.9 Ų39.90%024%0.235CC..  trans-118160.3171.900000112H41 V254 V255 P256G16-H41 CarbonylContact C-O 3.58Å; G16-H41 WeakPolarHBondContact CA-O 3.41Å; G16-V254 PolarHBondContact N-O 3.12Å; G16-V255 WeakPolarHBondContact O-CA 3.37Å; G16-P256 WeakPolarHBondContact O-CD 3.38Å
17L98.7Very high97.3Very high3 Ų339.8 Ų39.82%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-86.6115.1167.1-177.873.1000108.4A30 V31 A34 Y39 H41 L42 D43 I264L17-A30 HydrophobicContact CD2-CB 4.45Å; L17-V31 HydrophobicContact CD2-CG2 4.1Å; L17-A34 HydrophobicContact CB-CB 4.2Å; L17-A34 HydrophobicContact CD1-CB 4.4Å; L17-A34 HydrophobicContact CD2-CB 3.81Å; L17-A34 HydrophobicContact CG-CB 4.36Å; L17-Y39 HydrophobicContact CB-CD1 4.31Å; L17-H41 PolarHBondContact N-O 2.98Å; L17-L42 HydrophobicContact CB-CD2 3.79Å; L17-L42 HydrophobicContact CD2-CD2 4.16Å; L17-D43 PolarHBondContact O-N 2.82Å; L17-I264 HydrophobicContact CD1-CG1 4.43Å
18G98.3Very high97.3Very high4 Ų437.4 Ų37.44%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-74.3130.3169.200000110.7P256 K257G18-P256 PolarHBondContact N-O 3.44Å; G18-K257 VanDerWaalsContact O-CA 3.31Å; G18-K257 WeakPolarHBondContact O-CA 3.5Å; G18-K257 VanDerWaalsContact O-CB 3.27Å; G18-K257 WeakPolarHBondContact O-CB 3.25Å; G18-K257 WeakPolarHBondContact O-CG 3.47Å
19T98.2Very high97.3Very high0 Ų037.2 Ų37.20%023%0.227CC..  trans-102.4-1.3-179.765.50000113.7N21 S22 V27 D43 N50 V54T19-N21 PolarHBondContact O-N 3.47Å; T19-S22 WeakPolarHBondContact O-CB 3.37Å; T19-S22 PolarHBondContact O-N 3.38Å; T19-S22 PolarHBondContact O-OG 3.43Å; T19-V27 HydrophobicContact CG2-CG2 4.27Å; T19-D43 PolarHBondContact N-O 2.89Å; T19-D43 PolarHBondContact OG1-O 3.34Å; T19-N50 PolarHBondContact O-ND2 3.14Å; T19-V54 HydrophobicContact CG2-CG2 4.06Å
20W96.5Very high97.4Very high89 Ų8935.2 Ų35.234%0.33721%0.207SC..THydrogen-bonded Turntrans-57.9132.7176.7-178.258.1000112.2S22 Y48 K257 F293W20-S22 PolarHBondContact O-N 3.43Å; W20-Y48 HydrophobicContact CB-CD1 4.15Å; W20-Y48 HydrophobicContact CB-CD2 3.96Å; W20-Y48 HydrophobicContact CB-CE1 3.83Å; W20-Y48 HydrophobicContact CB-CE2 3.64Å; W20-Y48 HydrophobicContact CB-CG 4.22Å; W20-Y48 AromaticContact CD1-CD1 3.36Å; W20-Y48 AromaticContact CD1-CE1 3.33Å; W20-Y48 HydrophobicContact CG-CD1 4.11Å; W20-Y48 AromaticContact CG-CE1 3.82Å; W20-Y48 HydrophobicContact CG-CE1 3.82Å; W20-K257 WeakPolarHBondContact O-CE 3.5Å; W20-K257 WeakPolarHBondContact O-CG 3.49Å; W20-F293 HydrophobicContact CH2-CE1 4.05Å; W20-F293 HydrophobicContact CZ3-CE1 4.14Å; W20-F293 HydrophobicContact CZ3-CZ 4.27Å
21N92.2Very high97.4Very high97 Ų9731 Ų3152%0.51919%0.188SC..THydrogen-bonded Turntrans59.428.5177.5-165.133.4000112.7T19 K257T19-N21 PolarHBondContact O-N 3.47Å; N21-K257 PolarHBondContact O-NZ 2.94Å
22S95Very high97.4Very high6 Ų631.6 Ų31.64%0.04218%0.184CC..  trans-94.5115.8164.9-66.30000107.8T19 W20 N50 K257T19-S22 WeakPolarHBondContact O-CB 3.37Å; T19-S22 PolarHBondContact O-N 3.38Å; T19-S22 PolarHBondContact O-OG 3.43Å; W20-S22 PolarHBondContact O-N 3.43Å; S22-N50 PolarHBondContact O-ND2 3.14Å; S22-K257 WeakPolarHBondContact OG-CG 3.31Å
23P95.9Very high97.4Very high64 Ų6433.9 Ų33.942%0.41619%0.194SC..  trans-56.9144.5177.9-24.533.9000111.9D25 V26 V27P23-D25 WeakPolarHBondContact CB-OD1 3.44Å; P23-D25 PolarHBondContact O-N 3.23Å; P23-V26 HydrophobicContact CB-CG2 3.96Å; P23-V26 HydrophobicContact CG-CG2 4.12Å; P23-V26 WeakPolarHBondContact O-CG2 3.42Å; P23-V26 PolarHBondContact O-N 2.95Å; P23-V27 PolarHBondContact O-N 3.27Å
24S94.9Very high97.4Very high47 Ų4733.2 Ų33.233%0.32919%0.189SC..Hα-helixtrans-57.4-34.8-174.5-61.60000113.2V26 K49 E53S24-V26 VanDerWaalsContact C-N 3.27Å; S24-V26 PolarHBondContact O-N 3Å; S24-K49 PolarHBondContact OG-O 3.37Å; S24-E53 WeakPolarHBondContact CB-OE1 3.41Å; S24-E53 WeakPolarHBondContact O-CG 3.08Å
25D96.1Very high97.5Very high140 Ų14033.1 Ų33.175%0.74919%0.189SC*.Hα-helixtrans-71.5-15.8179.763.9-37.6000114.2P23P23-D25 WeakPolarHBondContact CB-OD1 3.44Å; P23-D25 PolarHBondContact O-N 3.23Å
26V97.3Very high97.4Very high47 Ų4737 Ų3729%0.28521%0.207SC..Hα-helixtrans-122.5-16.4-177.8-58.50000114.4P23 S24 G28 A29 A30 I259P23-V26 HydrophobicContact CB-CG2 3.96Å; P23-V26 HydrophobicContact CG-CG2 4.12Å; P23-V26 WeakPolarHBondContact O-CG2 3.42Å; P23-V26 PolarHBondContact O-N 2.95Å; S24-V26 VanDerWaalsContact C-N 3.27Å; S24-V26 PolarHBondContact O-N 3Å; V26-G28 VanDerWaalsContact C-N 3.29Å; V26-G28 PolarHBondContact O-N 3.26Å; V26-A29 PolarHBondContact O-N 2.67Å; V26-A30 PolarHBondContact O-N 2.94Å; V26-I259 HydrophobicContact CG2-CB 4.27Å; V26-I259 HydrophobicContact CG2-CD1 3.82Å; V26-I259 HydrophobicContact CG2-CG2 3.96Å
27V98.2Very high97.4Very high1 Ų138.8 Ų38.81%0.00622%0.217CC..Hα-helixtrans-62.2-36.5-177.371.10000112.1T19 P23 A29 A30 V31 N50 E53 V54T19-V27 HydrophobicContact CG2-CG2 4.27Å; P23-V27 PolarHBondContact O-N 3.27Å; V27-A29 PolarHBondContact O-N 3.28Å; V27-A30 WeakPolarHBondContact O-CB 3.37Å; V27-A30 PolarHBondContact O-N 2.86Å; V27-V31 HydrophobicContact CG2-CG2 4.46Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.44Å; V27-N50 HydrophobicContact CG1-CB 4.15Å; V27-E53 HydrophobicContact CG1-CB 3.6Å; V27-V54 HydrophobicContact CG1-CG2 4.21Å; V27-V54 HydrophobicContact CG2-CG2 3.64Å
28G98.3Very high97.4Very high16 Ų1639.4 Ų39.417%0.16523%0.225CC..Hα-helixtrans-62-44.7-179.800000112.4V26 A30 V31 Q32 A57V26-G28 VanDerWaalsContact C-N 3.29Å; V26-G28 PolarHBondContact O-N 3.26Å; G28-A30 VanDerWaalsContact C-N 3.31Å; G28-A30 PolarHBondContact O-N 3.47Å; G28-V31 PolarHBondContact O-N 3.44Å; G28-Q32 PolarHBondContact O-N 3.29Å; G28-A57 VanDerWaalsContact CA-CB 3.46Å; G28-A57 WeakPolarHBondContact O-CB 3.37Å
29A98.3Very high97.4Very high61 Ų6139.2 Ų39.250%0.50422%0.223SC..Hα-helixtrans-63-37.7175.500000112.2V26 V27 K33V26-A29 PolarHBondContact O-N 2.67Å; V27-A29 PolarHBondContact O-N 3.28Å; A29-K33 WeakPolarHBondContact O-CB 3.25Å; A29-K33 PolarHBondContact O-N 3.38Å
30A98.5Very high97.4Very high2 Ų241.9 Ų41.92%0.01723%0.233CC..Hα-helixtrans-65.7-41.6175.600000112.2L17 V26 V27 G28 K33 A34 I259 I264L17-A30 HydrophobicContact CD2-CB 4.45Å; V26-A30 PolarHBondContact O-N 2.94Å; V27-A30 WeakPolarHBondContact O-CB 3.37Å; V27-A30 PolarHBondContact O-N 2.86Å; G28-A30 VanDerWaalsContact C-N 3.31Å; G28-A30 PolarHBondContact O-N 3.47Å; A30-K33 PolarHBondContact O-N 3.16Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 2.95Å; A30-I259 HydrophobicContact CB-CB 4.44Å; A30-I259 HydrophobicContact CB-CG2 4.18Å; A30-I264 HydrophobicContact CB-CD1 4.05Å
31V98.7Very high97.5Very high0 Ų037.7 Ų37.70%022%0.217CC..Hα-helixtrans-61.8-50.8175.2168.30000110.7L17 V27 G28 K33 A34 L35 L42 V54 A57L17-V31 HydrophobicContact CD2-CG2 4.1Å; V27-V31 HydrophobicContact CG2-CG2 4.46Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.44Å; G28-V31 PolarHBondContact O-N 3.44Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.26Å; V31-A34 PolarHBondContact O-N 2.94Å; V31-L35 HydrophobicContact CG1-CD1 4.06Å; V31-L35 WeakPolarHBondContact O-CG 3.16Å; V31-L35 PolarHBondContact O-N 2.91Å; V31-L42 HydrophobicContact CG1-CD1 3.78Å; V31-L42 HydrophobicContact CG2-CD1 4.38Å; V31-V54 HydrophobicContact CG2-CB 4.5Å; V31-V54 HydrophobicContact CG2-CG1 4.14Å; V31-V54 HydrophobicContact CG2-CG2 4.11Å; V31-A57 HydrophobicContact CB-CB 4.09Å; V31-A57 HydrophobicContact CG1-CB 4.08Å
32Q98.5Very high97.8Very high69 Ų6933.1 Ų33.132%0.32219%0.192SC..Hα-helixtrans-55.6-49.1177.1-178.2-174.7-16.400110.6G28 A34 L35 E36 S61G28-Q32 PolarHBondContact O-N 3.29Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 3.37Å; Q32-L35 PolarHBondContact O-N 2.77Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.43Å; Q32-E36 PolarHBondContact NE2-OE1 2.61Å; Q32-E36 WeakPolarHBondContact O-CG 3.27Å; Q32-E36 PolarHBondContact O-N 2.88Å; Q32-S61 WeakPolarHBondContact CA-OG 3.37Å
33K98.7Very high98Very high48 Ų4833 Ų3321%0.20919%0.191CC..Hα-helixtrans-61.5-41.1-179.7-175.462.3-172.9169.70112.5A29 A30 V31 E36 V37 N261 I264A29-K33 WeakPolarHBondContact O-CB 3.25Å; A29-K33 PolarHBondContact O-N 3.38Å; A30-K33 PolarHBondContact O-N 3.16Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.26Å; K33-E36 IonicContact NZ-OE2 3.97Å; K33-E36 WeakPolarHBondContact O-CB 3.18Å; K33-E36 PolarHBondContact O-N 3.2Å; K33-V37 HydrophobicContact CD-CG2 4.39Å; K33-V37 HydrophobicContact CG-CG2 4.47Å; K33-V37 WeakPolarHBondContact O-CB 3.34Å; K33-V37 VanDerWaalsContact O-CG2 3.25Å; K33-V37 WeakPolarHBondContact O-CG2 3.48Å; K33-V37 PolarHBondContact O-N 3.35Å; K33-N261 HydrophobicContact CG-CB 4.3Å; K33-I264 HydrophobicContact CB-CD1 4.15Å; K33-I264 HydrophobicContact CG-CB 4.46Å; K33-I264 HydrophobicContact CG-CD1 4.22Å; K33-I264 HydrophobicContact CG-CG2 4.22Å
34A98.7Very high98.1Very high0 Ų029.9 Ų29.90%017%0.171CC..Hα-helixtrans-62.8-44.5177.700000111.5L17 A30 V31 Q32 E36 V37 G38 Y39 I264L17-A34 HydrophobicContact CB-CB 4.2Å; L17-A34 HydrophobicContact CD1-CB 4.4Å; L17-A34 HydrophobicContact CD2-CB 3.81Å; L17-A34 HydrophobicContact CG-CB 4.36Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 2.95Å; V31-A34 PolarHBondContact O-N 2.94Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 3.37Å; A34-E36 PolarHBondContact O-N 3.33Å; A34-V37 PolarHBondContact O-N 3.25Å; A34-G38 PolarHBondContact O-N 3.08Å; A34-G38 VanDerWaalsContact O-N 3.09Å; A34-Y39 HydrophobicContact CB-CD2 3.8Å; A34-Y39 HydrophobicContact CB-CE2 4.44Å; A34-Y39 HydrophobicContact CB-CG 3.86Å; A34-Y39 WeakPolarHBondContact O-CB 3.45Å; A34-Y39 VanDerWaalsContact O-CD2 3.32Å; A34-Y39 WeakPolarHBondContact O-CD2 3.49Å; A34-Y39 PolarHBondContact O-N 3.39Å; A34-I264 HydrophobicContact CB-CG2 4Å
35L98.6Very high98.3Very high1 Ų127.7 Ų27.71%0.00516%0.156CC..Hα-helixtrans-64.4-40.2178-66.1175.4000112.2V31 Q32 G38 Y39 R40 L58 S61 L65 L72V31-L35 HydrophobicContact CG1-CD1 4.06Å; V31-L35 WeakPolarHBondContact O-CG 3.16Å; V31-L35 PolarHBondContact O-N 2.91Å; Q32-L35 PolarHBondContact O-N 2.77Å; L35-G38 PolarHBondContact O-N 2.96Å; L35-Y39 WeakPolarHBondContact CD2-O 3.36Å; L35-R40 PolarHBondContact O-NH1 3.05Å; L35-L58 HydrophobicContact CD1-CD1 4.08Å; L35-S61 VanDerWaalsContact CD1-CB 3.42Å; L35-L65 HydrophobicContact CB-CD1 3.71Å; L35-L72 HydrophobicContact CD2-CD2 3.8Å
36E98.3Very high98.5Very high83 Ų8322.9 Ų22.939%0.38813%0.128SC..Hα-helixtrans-58.8-43.7172.8-75.9173-172.500112.2Q32 K33 A34 G38 L65Q32-E36 WeakPolarHBondContact CG-OE1 3.43Å; Q32-E36 PolarHBondContact NE2-OE1 2.61Å; Q32-E36 WeakPolarHBondContact O-CG 3.27Å; Q32-E36 PolarHBondContact O-N 2.88Å; K33-E36 IonicContact NZ-OE2 3.97Å; K33-E36 WeakPolarHBondContact O-CB 3.18Å; K33-E36 PolarHBondContact O-N 3.2Å; A34-E36 PolarHBondContact O-N 3.33Å; E36-G38 VanDerWaalsContact C-N 3.28Å; E36-G38 PolarHBondContact O-N 3.45Å; E36-L65 HydrophobicContact CG-CD1 4.21Å; E36-L65 HydrophobicContact CG-CD2 4.06Å
37V97.9Very high98.5Very high36 Ų3621.9 Ų21.922%0.21812%0.12CC..Hα-helixtrans-68.2-29179.7167.50000112K33 A34 Y39 I264 I265 F268K33-V37 HydrophobicContact CD-CG2 4.39Å; K33-V37 HydrophobicContact CG-CG2 4.47Å; K33-V37 WeakPolarHBondContact O-CB 3.34Å; K33-V37 VanDerWaalsContact O-CG2 3.25Å; K33-V37 WeakPolarHBondContact O-CG2 3.48Å; K33-V37 PolarHBondContact O-N 3.35Å; A34-V37 PolarHBondContact O-N 3.25Å; V37-Y39 HydrophobicContact CB-CD2 4.41Å; V37-Y39 HydrophobicContact CG1-CD2 4.26Å; V37-Y39 HydrophobicContact CG1-CE2 4.2Å; V37-I264 HydrophobicContact CG2-CG2 4.42Å; V37-I265 HydrophobicContact CG2-CG1 3.6Å; V37-F268 HydrophobicContact CG1-CB 3.71Å; V37-F268 HydrophobicContact CG1-CD1 3.58Å; V37-F268 HydrophobicContact CG1-CE1 4.32Å; V37-F268 HydrophobicContact CG1-CG 3.7Å; V37-F268 WeakPolarHBondContact O-CE1 3.45Å
38G98Very high98.5Very high16 Ų1623.3 Ų23.317%0.16513%0.126CC..THydrogen-bonded Turntrans124.55.8177.900000115A34 L35 E36 F268A34-G38 PolarHBondContact O-N 3.08Å; A34-G38 VanDerWaalsContact O-N 3.09Å; L35-G38 PolarHBondContact O-N 2.96Å; E36-G38 VanDerWaalsContact C-N 3.28Å; E36-G38 PolarHBondContact O-N 3.45Å; G38-F268 VanDerWaalsContact C-CZ 3.43Å; G38-F268 WeakPolarHBondContact O-CZ 3.19Å
39Y98.6Very high98.5Very high1 Ų127.3 Ų27.30%0.00414%0.139CC..  trans-59.3140.7170.1-74.5-109.5000109.8V15 L17 A34 L35 V37 I264 N267 F268V15-Y39 HydrophobicContact CB-CE1 4.45Å; V15-Y39 HydrophobicContact CG1-CD1 4.24Å; V15-Y39 HydrophobicContact CG1-CE1 3.48Å; V15-Y39 VanDerWaalsContact CG1-CE1 3.48Å; L17-Y39 HydrophobicContact CB-CD1 4.31Å; A34-Y39 HydrophobicContact CB-CD2 3.8Å; A34-Y39 HydrophobicContact CB-CE2 4.44Å; A34-Y39 HydrophobicContact CB-CG 3.86Å; A34-Y39 WeakPolarHBondContact O-CB 3.45Å; A34-Y39 VanDerWaalsContact O-CD2 3.32Å; A34-Y39 WeakPolarHBondContact O-CD2 3.49Å; A34-Y39 PolarHBondContact O-N 3.39Å; L35-Y39 WeakPolarHBondContact CD2-O 3.36Å; V37-Y39 HydrophobicContact CB-CD2 4.41Å; V37-Y39 HydrophobicContact CG1-CD2 4.26Å; V37-Y39 HydrophobicContact CG1-CE2 4.2Å; Y39-I264 HydrophobicContact CD2-CG2 4.42Å; Y39-I264 HydrophobicContact CE2-CG2 3.88Å; Y39-I264 WeakPolarHBondContact CE2-O 3.49Å; Y39-I264 PolarHBondContact OH-O 3Å; Y39-N267 WeakPolarHBondContact OH-CB 3.38Å; Y39-F268 HydrophobicContact CD1-CD2 4.47Å; Y39-F268 HydrophobicContact CD2-CB 4.42Å; Y39-F268 AromaticContact CD2-CD2 3.61Å; Y39-F268 HydrophobicContact CD2-CD2 3.61Å; Y39-F268 HydrophobicContact CD2-CE2 4.12Å; Y39-F268 HydrophobicContact CD2-CG 4.18Å; Y39-F268 HydrophobicContact CE1-CD2 4.39Å; Y39-F268 HydrophobicContact CE2-CB 3.62Å; Y39-F268 AromaticContact CE2-CD2 3.52Å; Y39-F268 HydrophobicContact CE2-CD2 3.52Å; Y39-F268 HydrophobicContact CE2-CE2 4.46Å; Y39-F268 AromaticContact CE2-CG 3.85Å; Y39-F268 HydrophobicContact CE2-CG 3.85Å; Y39-F268 HydrophobicContact CG-CD2 4.09Å; Y39-F268 HydrophobicContact CG-CE2 4.32Å; Y39-F268 AromaticContact CZ-CD2 3.9Å; Y39-F268 PolarHBondContact OH-N 3.24Å
40R98.5Very high98.5Very high55 Ų5524.5 Ų24.521%0.20812%0.115CC..  trans-129.613.3174.1-63.3-64.4177.8-92.52.7112M1 P13 L35 E71 L72 F73M1-R40 HydrophobicContact SD-CB 3.93Å; M1-R40 HydrophobicContact SD-CG 4.28Å; M1-R40 PolarHBondContact SD-N 3.47Å; M1-R40 VanDerWaalsContact SD-N 3.4Å; P13-R40 HydrophobicContact CG-CB 4.23Å; L35-R40 PolarHBondContact O-NH1 3.05Å; R40-E71 WeakPolarHBondContact CB-O 3.27Å; R40-E71 WeakPolarHBondContact CD-O 3.41Å; R40-L72 CarbonylContact O-C 3.52Å; R40-F73 WeakPolarHBondContact O-CB 3.46Å; R40-F73 PolarHBondContact O-N 3.21Å
41H98.8Very high98.5Very high1 Ų124.6 Ų24.61%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-131.1125177.4175.6-167.6000109.7P13 G16 L17 F73 T75P13-H41 HydrophobicContact CB-CB 3.87Å; P13-H41 HydrophobicContact CG-CB 3.97Å; P13-H41 PolarHBondContact O-ND1 3.23Å; G16-H41 CarbonylContact C-O 3.58Å; G16-H41 WeakPolarHBondContact CA-O 3.41Å; L17-H41 PolarHBondContact N-O 2.98Å; H41-F73 CarbonylContact C-O 3.6Å; H41-F73 WeakPolarHBondContact CA-O 3.42Å; H41-F73 HydrophobicContact CB-CB 4.28Å; H41-F73 AromaticContact CD2-CD1 3.64Å; H41-F73 PolarHBondContact CD2-O 3.49Å; H41-F73 AromaticContact NE2-CD1 3.9Å; H41-T75 PolarHBondContact NE2-OG1 3.34Å; H41-T75 VanDerWaalsContact NE2-OG1 3.17Å
42L98.9Very high98.5Very high1 Ų128.7 Ų28.71%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-116.7127.8172.1-56.9-177.3000109.3L17 V31 V54 L58 F73 I74 T75L17-L42 HydrophobicContact CB-CD2 3.79Å; L17-L42 HydrophobicContact CD2-CD2 4.16Å; V31-L42 HydrophobicContact CG1-CD1 3.78Å; V31-L42 HydrophobicContact CG2-CD1 4.38Å; L42-V54 HydrophobicContact CD1-CG1 4.27Å; L42-L58 HydrophobicContact CD1-CD1 3.8Å; L42-F73 PolarHBondContact N-O 2.93Å; L42-I74 HydrophobicContact CB-CD1 3.93Å; L42-I74 HydrophobicContact CD1-CD1 3.91Å; L42-I74 HydrophobicContact CG-CD1 3.94Å; L42-T75 PolarHBondContact O-N 3.23Å
43D98.9Very high98.5Very high3 Ų328.1 Ų28.12%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-102.5108.2175.5178.478.1000110.2L17 T19 K77 Q181 V255L17-D43 PolarHBondContact O-N 2.82Å; T19-D43 PolarHBondContact N-O 2.89Å; T19-D43 PolarHBondContact OG1-O 3.34Å; D43-K77 IonicContact OD1-NZ 2.75Å; D43-K77 PolarHBondContact OD1-NZ 3.07Å; D43-K77 IonicContact OD2-NZ 3.33Å; D43-K77 PolarHBondContact OD2-NZ 3.37Å; D43-Q181 PolarHBondContact OD1-NE2 2.95Å; D43-V255 HydrophobicContact CB-CB 3.95Å; D43-V255 HydrophobicContact CB-CG1 3.71Å; D43-V255 HydrophobicContact CB-CG2 4.36Å
44C98.9Very high98.5Very high0 Ų025.9 Ų25.90%012%0.124CC..  trans-114175.3-179.1-51.30000110.5E51 T75 S76 K77C44-E51 HydrophobicContact CB-CG 4.37Å; C44-T75 WeakPolarHBondContact CA-O 3.41Å; C44-T75 VanDerWaalsContact CB-O 3.25Å; C44-T75 WeakPolarHBondContact CB-O 3.41Å; C44-T75 PolarHBondContact N-O 3.25Å; C44-S76 WeakPolarHBondContact O-CA 3.41Å; C44-K77 PolarHBondContact O-NZ 2.96Å
45A98.8Very high98.5Very high0 Ų025.9 Ų25.90%012%0.124CC..  trans-162.2147.6165.400000108.8I47 Y48 S76 K77A45-I47 HydrophobicContact CB-CG2 4.23Å; A45-I47 PolarHBondContact O-N 3.19Å; A45-I47 VanDerWaalsContact O-N 3.11Å; A45-Y48 HydrophobicContact CB-CD1 3.71Å; A45-Y48 HydrophobicContact CB-CD2 3.91Å; A45-Y48 HydrophobicContact CB-CE1 3.61Å; A45-Y48 HydrophobicContact CB-CE2 3.8Å; A45-Y48 HydrophobicContact CB-CG 3.86Å; A45-Y48 WeakPolarHBondContact O-CB 3.32Å; A45-Y48 PolarHBondContact O-N 2.96Å; A45-S76 WeakPolarHBondContact CA-OG 3.38Å; A45-K77 HydrophobicContact CB-CB 3.91Å; A45-K77 HydrophobicContact CB-CD 3.94Å; A45-K77 HydrophobicContact CB-CG 3.84Å
46Y98.6Very high98.5Very high40 Ų4028.3 Ų28.316%0.15714%0.136CC..G310 helixtrans-46-44.9173165.4-93.3000112.8Y48 K49 E51 W79 F91 M94 D121Y46-Y48 PolarHBondContact O-N 3.46Å; Y46-K49 PolarHBondContact O-N 3.09Å; Y46-K49 PolarHBondContact OH-NZ 3.05Å; Y46-K49 VanDerWaalsContact OH-NZ 3.17Å; Y46-E51 PolarHBondContact N-OE1 3.07Å; Y46-W79 HydrophobicContact CD1-CB 3.73Å; Y46-W79 HydrophobicContact CD1-CG 4.11Å; Y46-W79 HydrophobicContact CE1-CB 4.32Å; Y46-W79 HydrophobicContact CE1-CG 4.43Å; Y46-F91 HydrophobicContact CD1-CD1 4.14Å; Y46-F91 AromaticContact CD1-CE1 3.93Å; Y46-F91 HydrophobicContact CD1-CE1 3.93Å; Y46-F91 HydrophobicContact CD2-CD1 4.31Å; Y46-F91 HydrophobicContact CE1-CD1 4.29Å; Y46-F91 AromaticContact CE1-CE1 3.67Å; Y46-F91 HydrophobicContact CE1-CE1 3.67Å; Y46-F91 HydrophobicContact CE2-CD1 4.46Å; Y46-F91 HydrophobicContact CE2-CE1 4.31Å; Y46-F91 HydrophobicContact CG-CD1 4.15Å; Y46-F91 HydrophobicContact CG-CE1 4.35Å; Y46-F91 AromaticContact CZ-CE1 3.88Å; Y46-M94 HydrophobicContact CD2-CG 4.45Å; Y46-M94 HydrophobicContact CE2-CG 4.32Å; Y46-D121 WeakPolarHBondContact CE1-OD1 3.32Å; Y46-D121 PolarHBondContact OH-OD1 3.41Å
47I98Very high98.5Very high25 Ų2524.6 Ų24.613%0.12812%0.12CC..G310 helixtrans-72.8-11.2-176.7-161.360.3000114.2A45 K49 W79 H110 D121 F122A45-I47 HydrophobicContact CB-CG2 4.23Å; A45-I47 PolarHBondContact O-N 3.19Å; A45-I47 VanDerWaalsContact O-N 3.11Å; I47-K49 PolarHBondContact O-N 2.97Å; I47-W79 HydrophobicContact CB-CD2 3.65Å; I47-W79 HydrophobicContact CB-CE3 3.57Å; I47-W79 HydrophobicContact CB-CG 4.27Å; I47-W79 HydrophobicContact CB-CH2 4.16Å; I47-W79 HydrophobicContact CB-CZ2 4.22Å; I47-W79 HydrophobicContact CB-CZ3 3.86Å; I47-W79 HydrophobicContact CD1-CD2 3.97Å; I47-W79 VanDerWaalsContact CD1-CE2 3.47Å; I47-W79 HydrophobicContact CD1-CG 4.36Å; I47-W79 HydrophobicContact CD1-CH2 4.42Å; I47-W79 HydrophobicContact CD1-CZ2 3.72Å; I47-W79 HydrophobicContact CG1-CD2 3.78Å; I47-W79 HydrophobicContact CG1-CE3 3.94Å; I47-W79 HydrophobicContact CG1-CH2 3.66Å; I47-W79 HydrophobicContact CG1-CZ2 3.46Å; I47-W79 VanDerWaalsContact CG1-CZ2 3.46Å; I47-W79 HydrophobicContact CG1-CZ3 3.9Å; I47-W79 HydrophobicContact CG2-CD2 4.21Å; I47-W79 HydrophobicContact CG2-CE3 3.59Å; I47-W79 HydrophobicContact CG2-CH2 4.08Å; I47-W79 HydrophobicContact CG2-CZ3 3.53Å; I47-H110 VanDerWaalsContact CG2-CE1 3.42Å; I47-H110 WeakPolarHBondContact CG2-CE1 3.29Å; I47-D121 HydrophobicContact CD1-CB 3.75Å; I47-F122 HydrophobicContact CD1-CE2 3.79Å; I47-F122 HydrophobicContact CD1-CZ 4.06Å; I47-F122 HydrophobicContact CG1-CE2 4.37Å; I47-F122 HydrophobicContact CG1-CZ 4.2Å
48Y98.1Very high98.6Very high32 Ų3223 Ų2313%0.12511%0.11CC..G310 helixtrans-71.9-12178.1-62-6.2000111.7W20 A45 Y46 N50 K77 H110W20-Y48 HydrophobicContact CB-CD1 4.15Å; W20-Y48 HydrophobicContact CB-CD2 3.96Å; W20-Y48 HydrophobicContact CB-CE1 3.83Å; W20-Y48 HydrophobicContact CB-CE2 3.64Å; W20-Y48 HydrophobicContact CB-CG 4.22Å; W20-Y48 AromaticContact CD1-CD1 3.36Å; W20-Y48 AromaticContact CD1-CE1 3.33Å; W20-Y48 HydrophobicContact CG-CD1 4.11Å; W20-Y48 AromaticContact CG-CE1 3.82Å; W20-Y48 HydrophobicContact CG-CE1 3.82Å; A45-Y48 HydrophobicContact CB-CD1 3.71Å; A45-Y48 HydrophobicContact CB-CD2 3.91Å; A45-Y48 HydrophobicContact CB-CE1 3.61Å; A45-Y48 HydrophobicContact CB-CE2 3.8Å; A45-Y48 HydrophobicContact CB-CG 3.86Å; A45-Y48 WeakPolarHBondContact O-CB 3.32Å; A45-Y48 PolarHBondContact O-N 2.96Å; Y46-Y48 PolarHBondContact O-N 3.46Å; Y48-N50 WeakPolarHBondContact CB-OD1 3.19Å; Y48-N50 PolarHBondContact O-N 3.28Å; Y48-K77 PolarHBondContact OH-NZ 3.47Å; Y48-H110 AromaticContact CE1-CE1 3.79Å
49K97.8Very high98.6Very high100 Ų10025.1 Ų25.144%0.43512%0.115SC..SBendtrans54.731.6174.9-58.2-54.6-174.3-1770113.6S24 Y46 I47 D121S24-K49 PolarHBondContact OG-O 3.37Å; Y46-K49 PolarHBondContact O-N 3.09Å; Y46-K49 PolarHBondContact OH-NZ 3.05Å; Y46-K49 VanDerWaalsContact OH-NZ 3.17Å; I47-K49 PolarHBondContact O-N 2.97Å; K49-D121 WeakPolarHBondContact CE-OD2 3.46Å; K49-D121 IonicContact NZ-OD1 3.72Å; K49-D121 PolarHBondContact NZ-OD1 3.35Å; K49-D121 IonicContact NZ-OD2 3.36Å; K49-D121 PolarHBondContact NZ-OD2 3.17Å
50N98.4Very high98.6Very high1 Ų130.6 Ų30.61%0.00514%0.141CC..  trans-140.812.8-179.467.84.1000113.5T19 S22 V27 Y48 I52 E53 V54T19-N50 PolarHBondContact O-ND2 3.14Å; S22-N50 PolarHBondContact O-ND2 3.14Å; V27-N50 HydrophobicContact CG1-CB 4.15Å; Y48-N50 WeakPolarHBondContact CB-OD1 3.19Å; Y48-N50 PolarHBondContact O-N 3.28Å; N50-I52 VanDerWaalsContact C-N 3.25Å; N50-I52 PolarHBondContact O-N 3.02Å; N50-E53 VanDerWaalsContact C-OE2 3.32Å; N50-E53 VanDerWaalsContact CA-OE2 3.25Å; N50-E53 WeakPolarHBondContact CA-OE2 3.22Å; N50-E53 PolarHBondContact O-N 2.95Å; N50-V54 VanDerWaalsContact O-CG2 3.3Å; N50-V54 WeakPolarHBondContact O-CG2 3.39Å; N50-V54 PolarHBondContact O-N 2.93Å; N50-V54 VanDerWaalsContact O-N 3.08Å
51E98.8Very high98.6Very high4 Ų428 Ų282%0.01913%0.132CC..Hα-helixtrans-64.9-28.2-179.3-73.9-174.3140.400112.8C44 Y46 G55 S76 S95 N98 L99C44-E51 HydrophobicContact CB-CG 4.37Å; Y46-E51 PolarHBondContact N-OE1 3.07Å; E51-G55 PolarHBondContact O-N 3.45Å; E51-S76 PolarHBondContact OE1-OG 3.28Å; E51-S95 WeakPolarHBondContact OE2-CA 3.31Å; E51-N98 HydrophobicContact CB-CB 3.62Å; E51-N98 CarbonylContact O-C 3.56Å; E51-N98 VanDerWaalsContact O-O 3.13Å; E51-L99 HydrophobicContact CB-CD2 4.05Å; E51-L99 HydrophobicContact CB-CG 4.11Å; E51-L99 HydrophobicContact CG-CD2 4.2Å; E51-L99 HydrophobicContact CG-CG 4.28Å
52I98.8Very high98.6Very high86 Ų8629.4 Ų29.444%0.44114%0.139SC..Hα-helixtrans-64.5-48178.3-66.2172.8000110N50 G55 I56 N98N50-I52 VanDerWaalsContact C-N 3.25Å; N50-I52 PolarHBondContact O-N 3.02Å; I52-G55 PolarHBondContact O-N 3.06Å; I52-I56 HydrophobicContact CG2-CD1 4.14Å; I52-I56 WeakPolarHBondContact O-CG1 3.46Å; I52-I56 PolarHBondContact O-N 3.21Å; I52-N98 WeakPolarHBondContact CA-O 3.24Å; I52-N98 HydrophobicContact CG1-CB 3.89Å
53E98.8Very high98.5Very high58 Ų5836.2 Ų36.227%0.27117%0.168SC..Hα-helixtrans-71.5-36.1-179.1-61.382.4-178.800111.3S24 V27 N50 G55 A57S24-E53 WeakPolarHBondContact CB-OE1 3.41Å; S24-E53 WeakPolarHBondContact O-CG 3.08Å; V27-E53 HydrophobicContact CG1-CB 3.6Å; N50-E53 VanDerWaalsContact C-OE2 3.32Å; N50-E53 VanDerWaalsContact CA-OE2 3.25Å; N50-E53 WeakPolarHBondContact CA-OE2 3.22Å; N50-E53 PolarHBondContact O-N 2.95Å; E53-G55 VanDerWaalsContact C-N 3.35Å; E53-A57 WeakPolarHBondContact O-CB 3.38Å; E53-A57 PolarHBondContact O-N 3.25Å
54V98.8Very high98.5Very high0 Ų041.2 Ų41.20%019%0.194CC..Hα-helixtrans-60.7-44.9169.3172.90000110.6T19 V27 V31 L42 N50 A57 L58 L99T19-V54 HydrophobicContact CG2-CG2 4.06Å; V27-V54 HydrophobicContact CG1-CG2 4.21Å; V27-V54 HydrophobicContact CG2-CG2 3.64Å; V31-V54 HydrophobicContact CG2-CB 4.5Å; V31-V54 HydrophobicContact CG2-CG1 4.14Å; V31-V54 HydrophobicContact CG2-CG2 4.11Å; L42-V54 HydrophobicContact CD1-CG1 4.27Å; N50-V54 VanDerWaalsContact O-CG2 3.3Å; N50-V54 WeakPolarHBondContact O-CG2 3.39Å; N50-V54 PolarHBondContact O-N 2.93Å; N50-V54 VanDerWaalsContact O-N 3.08Å; V54-A57 PolarHBondContact O-N 2.92Å; V54-L58 WeakPolarHBondContact O-CB 3.28Å; V54-L58 PolarHBondContact O-N 3Å; V54-L99 HydrophobicContact CB-CD2 4.03Å; V54-L99 HydrophobicContact CG1-CD2 3.65Å
55G98.8Very high98.5Very high0 Ų044 Ų440%021%0.209CC..Hα-helixtrans-63.8-41.5-179.800000113.7E51 I52 E53 L58 E59 L99E51-G55 PolarHBondContact O-N 3.45Å; I52-G55 PolarHBondContact O-N 3.06Å; E53-G55 VanDerWaalsContact C-N 3.35Å; G55-L58 PolarHBondContact O-N 3.34Å; G55-E59 PolarHBondContact O-N 3Å; G55-L99 VanDerWaalsContact CA-O 3.24Å; G55-L99 WeakPolarHBondContact CA-O 3.37Å
56I98.8Very high98.5Very high53 Ų5352.5 Ų52.527%0.27225%0.246SC..Hα-helixtrans-58.8-53.7172.2-69.1161.4000110.1I52 L58 E59 E60 R100I52-I56 HydrophobicContact CG2-CD1 4.14Å; I52-I56 WeakPolarHBondContact O-CG1 3.46Å; I52-I56 PolarHBondContact O-N 3.21Å; I56-L58 VanDerWaalsContact C-N 3.29Å; I56-L58 PolarHBondContact O-N 3.46Å; I56-E59 PolarHBondContact O-N 2.93Å; I56-E60 WeakPolarHBondContact O-CG 3.43Å; I56-E60 PolarHBondContact O-N 3.5Å; I56-R100 VanDerWaalsContact CG1-CZ 3.49Å; I56-R100 VanDerWaalsContact CG1-NH2 3.31Å
57A98.7Very high98.4Very high5 Ų551.6 Ų51.64%0.04124%0.243CC..Hα-helixtrans-63.7-35.1-17800000112.5G28 V31 E53 V54 S61G28-A57 VanDerWaalsContact CA-CB 3.46Å; G28-A57 WeakPolarHBondContact O-CB 3.37Å; V31-A57 HydrophobicContact CB-CB 4.09Å; V31-A57 HydrophobicContact CG1-CB 4.08Å; E53-A57 WeakPolarHBondContact O-CB 3.38Å; E53-A57 PolarHBondContact O-N 3.25Å; V54-A57 PolarHBondContact O-N 2.92Å; A57-S61 WeakPolarHBondContact O-CB 3.42Å; A57-S61 PolarHBondContact O-N 3.09Å; A57-S61 PolarHBondContact O-OG 3.26Å
58L98.5Very high98.4Very high1 Ų155.1 Ų55.11%0.00526%0.262CS..Hα-helixtrans-63.1-50.1175.9-171.466.4000110.9L35 L42 V54 G55 I56 S61 M62 L72 I74 L101L35-L58 HydrophobicContact CD1-CD1 4.08Å; L42-L58 HydrophobicContact CD1-CD1 3.8Å; V54-L58 WeakPolarHBondContact O-CB 3.28Å; V54-L58 PolarHBondContact O-N 3Å; G55-L58 PolarHBondContact O-N 3.34Å; I56-L58 VanDerWaalsContact C-N 3.29Å; I56-L58 PolarHBondContact O-N 3.46Å; L58-S61 PolarHBondContact O-N 3.33Å; L58-M62 HydrophobicContact CG-CE 4.17Å; L58-M62 WeakPolarHBondContact O-CB 3.45Å; L58-M62 VanDerWaalsContact O-CG 3.28Å; L58-M62 WeakPolarHBondContact O-CG 3.39Å; L58-M62 PolarHBondContact O-N 3.02Å; L58-L72 HydrophobicContact CD1-CD1 3.52Å; L58-L72 HydrophobicContact CG-CD1 4.38Å; L58-I74 HydrophobicContact CD1-CD1 4.12Å; L58-I74 HydrophobicContact CD2-CD1 4.13Å; L58-I74 HydrophobicContact CD2-CG1 4.27Å; L58-L101 HydrophobicContact CD2-CD1 4.03Å; L58-L101 HydrophobicContact CD2-CD2 3.73Å; L58-L101 HydrophobicContact CD2-CG 4.14Å
59E98.5Very high98.5Very high61 Ų6155.5 Ų55.529%0.28526%0.264SS..Hα-helixtrans-60.1-47.3178.5-173.6-174.3-170.300111.9G55 I56 K63 R100G55-E59 PolarHBondContact O-N 3Å; I56-E59 PolarHBondContact O-N 2.93Å; E59-K63 WeakPolarHBondContact O-CG 3.41Å; E59-K63 PolarHBondContact O-N 2.81Å; E59-K63 IonicContact OE1-NZ 3.95Å; E59-K63 PolarHBondContact OE1-NZ 3.1Å; E59-R100 WeakPolarHBondContact OE2-CD 3.21Å; E59-R100 IonicContact OE2-CZ 2.82Å; E59-R100 IonicContact OE2-NH1 2.89Å; E59-R100 PolarHBondContact OE2-NH1 3.05Å
60E98.5Very high98.4Very high116 Ų11656.6 Ų56.654%0.54227%0.274SS..Hα-helixtrans-65.4-44.3179.2-70.2176.9171.400111.7I56 K63 L64I56-E60 WeakPolarHBondContact O-CG 3.43Å; I56-E60 PolarHBondContact O-N 3.5Å; E60-K63 PolarHBondContact O-N 2.86Å; E60-L64 WeakPolarHBondContact O-CB 3.44Å; E60-L64 PolarHBondContact O-N 3.28Å
61S98.5Very high98.4Very high2 Ų260.5 Ų60.51%0.01429%0.293CS..Hα-helixtrans-67.5-38.2-179.9-61.10000112.3Q32 L35 A57 L58 K63 L64 L65Q32-S61 WeakPolarHBondContact CA-OG 3.37Å; L35-S61 VanDerWaalsContact CD1-CB 3.42Å; A57-S61 WeakPolarHBondContact O-CB 3.42Å; A57-S61 PolarHBondContact O-N 3.09Å; A57-S61 PolarHBondContact O-OG 3.26Å; L58-S61 PolarHBondContact O-N 3.33Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 2.84Å; S61-L64 PolarHBondContact O-N 3.02Å; S61-L65 VanDerWaalsContact O-CB 3.25Å; S61-L65 WeakPolarHBondContact O-CB 3.4Å; S61-L65 WeakPolarHBondContact O-CG 3.09Å; S61-L65 PolarHBondContact O-N 2.88Å
62M98.4Very high98.4Very high30 Ų3060.6 Ų60.615%0.14829%0.293CS..Hα-helixtrans-59.8-43.7174.1-77.3-170.8-64.400111.2L58 K66 L67 R69 L72L58-M62 HydrophobicContact CG-CE 4.17Å; L58-M62 WeakPolarHBondContact O-CB 3.45Å; L58-M62 VanDerWaalsContact O-CG 3.28Å; L58-M62 WeakPolarHBondContact O-CG 3.39Å; L58-M62 PolarHBondContact O-N 3.02Å; M62-K66 CarbonylContact O-C 3.55Å; M62-K66 VanDerWaalsContact O-CA 3.28Å; M62-K66 WeakPolarHBondContact O-CA 3.46Å; M62-K66 PolarHBondContact O-N 3.04Å; M62-L67 HydrophobicContact CG-CB 4.4Å; M62-L67 PolarHBondContact O-N 2.74Å; M62-R69 HydrophobicContact SD-CB 4.32Å; M62-L72 HydrophobicContact CG-CD1 3.69Å; M62-L72 HydrophobicContact SD-CD1 3.72Å
63K98.3Very high98.4Very high143 Ų14356.9 Ų56.962%0.62227%0.274SS*.Hα-helixtrans-65.1-47.5176.3-68.6170.9-170.9167.10111.5E59 E60 S61 K66E59-K63 WeakPolarHBondContact O-CG 3.41Å; E59-K63 PolarHBondContact O-N 2.81Å; E59-K63 IonicContact OE1-NZ 3.95Å; E59-K63 PolarHBondContact OE1-NZ 3.1Å; E60-K63 PolarHBondContact O-N 2.86Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 2.84Å; K63-K66 PolarHBondContact O-N 2.9Å
64L98.2Very high98.4Very high109 Ų10954.2 Ų54.257%0.57126%0.261SS*.Hα-helixtrans-62.5-46.8-178.5179.163.3000112.2E60 S61E60-L64 WeakPolarHBondContact O-CB 3.44Å; E60-L64 PolarHBondContact O-N 3.28Å; S61-L64 PolarHBondContact O-N 3.02Å
65L98.2Very high98.4Very high58 Ų5854.2 Ų54.230%0.30426%0.261SS..Hα-helixtrans-90.70.2-175.4-58.3175.9000113.1L35 E36 S61 L67L35-L65 HydrophobicContact CB-CD1 3.71Å; E36-L65 HydrophobicContact CG-CD1 4.21Å; E36-L65 HydrophobicContact CG-CD2 4.06Å; S61-L65 VanDerWaalsContact O-CB 3.25Å; S61-L65 WeakPolarHBondContact O-CB 3.4Å; S61-L65 WeakPolarHBondContact O-CG 3.09Å; S61-L65 PolarHBondContact O-N 2.88Å; L65-L67 VanDerWaalsContact C-N 3.27Å; L65-L67 HydrophobicContact CB-CD1 3.95Å; L65-L67 HydrophobicContact CB-CG 3.82Å; L65-L67 HydrophobicContact CD1-CD1 4.08Å; L65-L67 PolarHBondContact O-N 3.29Å
66K98.3Very high98.4Very high179 Ų17954.2 Ų54.278%0.77826%0.261SS*.THydrogen-bonded Turntrans53.642.2-176.6-55.4179.2-178.9178.30112.7M62 K63M62-K66 CarbonylContact O-C 3.55Å; M62-K66 VanDerWaalsContact O-CA 3.28Å; M62-K66 WeakPolarHBondContact O-CA 3.46Å; M62-K66 PolarHBondContact O-N 3.04Å; K63-K66 PolarHBondContact O-N 2.9Å
67L98.3Very high98.4Very high20 Ų2051.7 Ų51.711%0.10525%0.248CC..  trans-91.6137.7177.2-59.4173.7000110.1M62 L65 L72M62-L67 HydrophobicContact CG-CB 4.4Å; M62-L67 PolarHBondContact O-N 2.74Å; L65-L67 VanDerWaalsContact C-N 3.27Å; L65-L67 HydrophobicContact CB-CD1 3.95Å; L65-L67 HydrophobicContact CB-CG 3.82Å; L65-L67 HydrophobicContact CD1-CD1 4.08Å; L65-L67 PolarHBondContact O-N 3.29Å; L67-L72 HydrophobicContact CD1-CD2 4.32Å
68N98.2Very high98.4Very high99 Ų9951.4 Ų51.453%0.52925%0.246SC..  trans-83.6152.9170.1-56.8-68.8000110.5D70 E71N68-D70 VanDerWaalsContact C-N 3.25Å; N68-D70 WeakPolarHBondContact CB-OD1 3.46Å; N68-D70 PolarHBondContact O-N 3.16Å; N68-E71 HydrophobicContact CB-CG 4.26Å; N68-E71 WeakPolarHBondContact CB-OE2 3.39Å; N68-E71 PolarHBondContact N-OE2 3.42Å; N68-E71 PolarHBondContact ND2-OE2 2.92Å; N68-E71 WeakPolarHBondContact O-CB 3.41Å; N68-E71 PolarHBondContact O-N 3.42Å; N68-E71 VanDerWaalsContact O-N 3.1Å
69R98.3Very high98.4Very high41 Ų4152.2 Ų52.216%0.15525%0.249CC..G310 helixtrans-59.8-35.7-179171.858-170.990.1-2.2112.4M62 E71 L72 Y103 D105M62-R69 HydrophobicContact SD-CB 4.32Å; R69-E71 PolarHBondContact O-N 2.91Å; R69-L72 PolarHBondContact NH1-O 3.35Å; R69-L72 PolarHBondContact O-N 3.28Å; R69-Y103 HydrophobicContact CG-CE1 4.1Å; R69-Y103 PolarHBondContact NH2-O 2.9Å; R69-D105 IonicContact CZ-OD2 2.83Å; R69-D105 IonicContact NH1-OD1 3.05Å; R69-D105 IonicContact NH1-OD2 2.9Å; R69-D105 PolarHBondContact NH1-OD2 3.22Å; R69-D105 IonicContact NH2-OD2 3.68Å; R69-D105 PolarHBondContact NH2-OD2 2.94Å
70D97.5Very high98.4Very high122 Ų12249.5 Ų49.565%0.65224%0.236SC*.G310 helixtrans-74.4-7.2179.962.3-18.7000113.9N68 L72N68-D70 VanDerWaalsContact C-N 3.25Å; N68-D70 WeakPolarHBondContact CB-OD1 3.46Å; N68-D70 PolarHBondContact O-N 3.16Å; D70-L72 VanDerWaalsContact C-N 3.31Å
71E97.9Very high98.4Very high84 Ų8444.2 Ų44.239%0.39321%0.212SC..G310 helixtrans-83.7-8.7169-61.9177.968.900112.8R40 N68 R69R40-E71 WeakPolarHBondContact CB-O 3.27Å; R40-E71 WeakPolarHBondContact CD-O 3.41Å; N68-E71 HydrophobicContact CB-CG 4.26Å; N68-E71 WeakPolarHBondContact CB-OE2 3.39Å; N68-E71 PolarHBondContact N-OE2 3.42Å; N68-E71 PolarHBondContact ND2-OE2 2.92Å; N68-E71 WeakPolarHBondContact O-CB 3.41Å; N68-E71 PolarHBondContact O-N 3.42Å; N68-E71 VanDerWaalsContact O-N 3.1Å; R69-E71 PolarHBondContact O-N 2.91Å
72L98.6Very high98.4Very high5 Ų544.1 Ų44.13%0.02621%0.211CC..  trans-109.8145.2-177.4-54.9-177000111.1L35 R40 L58 M62 L67 R69 D70 I74 D105L35-L72 HydrophobicContact CD2-CD2 3.8Å; R40-L72 CarbonylContact O-C 3.52Å; L58-L72 HydrophobicContact CD1-CD1 3.52Å; L58-L72 HydrophobicContact CG-CD1 4.38Å; M62-L72 HydrophobicContact CG-CD1 3.69Å; M62-L72 HydrophobicContact SD-CD1 3.72Å; L67-L72 HydrophobicContact CD1-CD2 4.32Å; R69-L72 PolarHBondContact NH1-O 3.35Å; R69-L72 PolarHBondContact O-N 3.28Å; D70-L72 VanDerWaalsContact C-N 3.31Å; L72-I74 HydrophobicContact CB-CD1 4.12Å; L72-I74 HydrophobicContact CB-CG1 4.4Å; L72-D105 VanDerWaalsContact O-OD2 3.12Å
73F98.8Very high98.4Very high9 Ų942.8 Ų42.84%0.03921%0.205CC..EExtended strand (participates in β ladder)trans-114.6105174.6-165.9-77.4000109.2M6 S11 I12 P13 R40 H41 L42 T75 D105 L106M6-F73 HydrophobicContact CE-CE2 3.67Å; M6-F73 HydrophobicContact CE-CZ 3.81Å; M6-F73 HydrophobicContact SD-CE2 4.43Å; M6-F73 HydrophobicContact SD-CZ 4.1Å; S11-F73 WeakPolarHBondContact O-CD2 3.41Å; I12-F73 HydrophobicContact CB-CD2 4.47Å; I12-F73 HydrophobicContact CB-CE1 4.37Å; I12-F73 HydrophobicContact CB-CE2 3.96Å; I12-F73 HydrophobicContact CB-CZ 3.9Å; I12-F73 HydrophobicContact CD1-CD1 4.5Å; I12-F73 HydrophobicContact CD1-CE1 3.79Å; I12-F73 HydrophobicContact CD1-CZ 3.97Å; I12-F73 HydrophobicContact CG1-CD1 4.14Å; I12-F73 HydrophobicContact CG1-CE1 3.79Å; I12-F73 HydrophobicContact CG1-CE2 4.24Å; I12-F73 HydrophobicContact CG1-CG 4.5Å; I12-F73 HydrophobicContact CG1-CZ 3.84Å; P13-F73 VanDerWaalsContact CD-CB 3.5Å; P13-F73 HydrophobicContact CG-CB 3.93Å; R40-F73 WeakPolarHBondContact O-CB 3.46Å; R40-F73 PolarHBondContact O-N 3.21Å; H41-F73 CarbonylContact C-O 3.6Å; H41-F73 WeakPolarHBondContact CA-O 3.42Å; H41-F73 HydrophobicContact CB-CB 4.28Å; H41-F73 AromaticContact CD2-CD1 3.64Å; H41-F73 PolarHBondContact CD2-O 3.49Å; H41-F73 AromaticContact NE2-CD1 3.9Å; L42-F73 PolarHBondContact N-O 2.93Å; F73-T75 WeakPolarHBondContact CE1-OG1 3.46Å; F73-D105 WeakPolarHBondContact CA-OD2 3.47Å; F73-D105 HydrophobicContact CB-CB 4.44Å; F73-D105 HydrophobicContact CD1-CB 4.04Å; F73-D105 HydrophobicContact CD2-CB 3.69Å; F73-D105 HydrophobicContact CE1-CB 4.18Å; F73-D105 HydrophobicContact CE2-CB 3.84Å; F73-D105 HydrophobicContact CG-CB 3.8Å; F73-D105 HydrophobicContact CZ-CB 4.1Å; F73-L106 HydrophobicContact CE1-CB 3.56Å; F73-L106 HydrophobicContact CE1-CD2 4Å; F73-L106 HydrophobicContact CE1-CG 4.46Å; F73-L106 HydrophobicContact CZ-CB 3.68Å; F73-L106 HydrophobicContact CZ-CD2 4.2Å
74I98.9Very high98.4Very high1 Ų138.3 Ų38.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-108.7119.8-176-48.5-59.3000109.5L42 L58 L72 L99 L101 L104 D105 L106L42-I74 HydrophobicContact CB-CD1 3.93Å; L42-I74 HydrophobicContact CD1-CD1 3.91Å; L42-I74 HydrophobicContact CG-CD1 3.94Å; L58-I74 HydrophobicContact CD1-CD1 4.12Å; L58-I74 HydrophobicContact CD2-CD1 4.13Å; L58-I74 HydrophobicContact CD2-CG1 4.27Å; L72-I74 HydrophobicContact CB-CD1 4.12Å; L72-I74 HydrophobicContact CB-CG1 4.4Å; I74-L99 HydrophobicContact CG2-CD1 4.13Å; I74-L101 HydrophobicContact CB-CD1 3.94Å; I74-L101 HydrophobicContact CG1-CD1 3.9Å; I74-L101 HydrophobicContact CG2-CD1 3.79Å; I74-L104 HydrophobicContact CB-CD2 4.37Å; I74-L104 HydrophobicContact CG2-CD2 3.92Å; I74-D105 PolarHBondContact N-OD2 2.83Å; I74-D105 PolarHBondContact O-N 2.99Å; I74-L106 PolarHBondContact O-N 3.24Å
75T98.9Very high98.4Very high0 Ų035.5 Ų35.50%018%0.176CC..EExtended strand (participates in β ladder)trans-102.4133.2176.5-55.40000109.9H41 L42 C44 F73 L106 L108H41-T75 PolarHBondContact NE2-OG1 3.34Å; H41-T75 VanDerWaalsContact NE2-OG1 3.17Å; L42-T75 PolarHBondContact O-N 3.23Å; C44-T75 WeakPolarHBondContact CA-O 3.41Å; C44-T75 VanDerWaalsContact CB-O 3.25Å; C44-T75 WeakPolarHBondContact CB-O 3.41Å; C44-T75 PolarHBondContact N-O 3.25Å; F73-T75 WeakPolarHBondContact CE1-OG1 3.46Å; T75-L106 VanDerWaalsContact CA-O 3.27Å; T75-L106 WeakPolarHBondContact CA-O 3.33Å; T75-L106 HydrophobicContact CG2-CB 4.2Å; T75-L106 HydrophobicContact CG2-CD2 4.03Å; T75-L106 HydrophobicContact CG2-CG 4.07Å; T75-L108 HydrophobicContact CG2-CD1 3.87Å; T75-L108 HydrophobicContact CG2-CG 4.11Å
76S98.9Very high98.4Very high0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-133.2178.1161.6-168.20000110.6C44 A45 E51 L106 Y107 L108C44-S76 WeakPolarHBondContact O-CA 3.41Å; A45-S76 WeakPolarHBondContact CA-OG 3.38Å; E51-S76 PolarHBondContact OE1-OG 3.28Å; S76-L106 PolarHBondContact N-O 3.35Å; S76-L106 VanDerWaalsContact N-O 3.15Å; S76-Y107 VanDerWaalsContact C-CD2 3.46Å; S76-Y107 WeakPolarHBondContact O-CA 3.27Å; S76-Y107 WeakPolarHBondContact O-CD2 3.34Å; S76-L108 PolarHBondContact O-N 2.78Å
77K98.9Very high98.4Very high0 Ų034.4 Ų34.40%017%0.174CC..EExtended strand (participates in β ladder)trans-141.9132.8-167.9-41.3-178.1179.673.50112.8D43 C44 A45 Y48 W79 L108 H110D43-K77 IonicContact OD1-NZ 2.75Å; D43-K77 PolarHBondContact OD1-NZ 3.07Å; D43-K77 IonicContact OD2-NZ 3.33Å; D43-K77 PolarHBondContact OD2-NZ 3.37Å; C44-K77 PolarHBondContact O-NZ 2.96Å; A45-K77 HydrophobicContact CB-CB 3.91Å; A45-K77 HydrophobicContact CB-CD 3.94Å; A45-K77 HydrophobicContact CB-CG 3.84Å; Y48-K77 PolarHBondContact OH-NZ 3.47Å; K77-W79 PolarHBondContact O-N 3.19Å; K77-L108 CarbonylContact C-O 3.57Å; K77-L108 VanDerWaalsContact CA-O 3.22Å; K77-L108 WeakPolarHBondContact CA-O 3.18Å; K77-L108 HydrophobicContact CB-CB 4.37Å; K77-L108 HydrophobicContact CD-CD1 4.43Å; K77-L108 HydrophobicContact CG-CB 4.14Å; K77-L108 HydrophobicContact CG-CD1 4.34Å; K77-H110 HydrophobicContact CB-CB 3.68Å; K77-H110 HydrophobicContact CD-CB 4.38Å
78L98.9Very high98.4Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-68.2121.5172.4-178.869.9000110.2V88 F91 Y107 L108 H110 T140 M144L78-V88 HydrophobicContact CD2-CG1 4.41Å; L78-V88 HydrophobicContact CD2-CG2 3.87Å; L78-F91 HydrophobicContact CD1-CB 3.69Å; L78-F91 HydrophobicContact CD1-CG 4.17Å; L78-Y107 VanDerWaalsContact CA-OH 3.29Å; L78-Y107 WeakPolarHBondContact CA-OH 3.43Å; L78-Y107 HydrophobicContact CB-CE1 3.84Å; L78-Y107 HydrophobicContact CD1-CE1 4.39Å; L78-Y107 WeakPolarHBondContact CD1-OH 3.39Å; L78-L108 PolarHBondContact N-O 3.29Å; L78-H110 WeakPolarHBondContact O-CB 3.49Å; L78-H110 PolarHBondContact O-N 3.45Å; L78-T140 HydrophobicContact CD2-CG2 3.67Å; L78-M144 HydrophobicContact CB-SD 4.33Å; L78-M144 HydrophobicContact CD2-SD 3.94Å
79W98.5Very high98.5Very high18 Ų1832.5 Ų32.57%0.06816%0.16CC..  trans-81162.3-178.1-169.5-119.4000113.1Y46 I47 K77 T81 G82 F91 H110 D121 F122Y46-W79 HydrophobicContact CD1-CB 3.73Å; Y46-W79 HydrophobicContact CD1-CG 4.11Å; Y46-W79 HydrophobicContact CE1-CB 4.32Å; Y46-W79 HydrophobicContact CE1-CG 4.43Å; I47-W79 HydrophobicContact CB-CD2 3.65Å; I47-W79 HydrophobicContact CB-CE3 3.57Å; I47-W79 HydrophobicContact CB-CG 4.27Å; I47-W79 HydrophobicContact CB-CH2 4.16Å; I47-W79 HydrophobicContact CB-CZ2 4.22Å; I47-W79 HydrophobicContact CB-CZ3 3.86Å; I47-W79 HydrophobicContact CD1-CD2 3.97Å; I47-W79 VanDerWaalsContact CD1-CE2 3.47Å; I47-W79 HydrophobicContact CD1-CG 4.36Å; I47-W79 HydrophobicContact CD1-CH2 4.42Å; I47-W79 HydrophobicContact CD1-CZ2 3.72Å; I47-W79 HydrophobicContact CG1-CD2 3.78Å; I47-W79 HydrophobicContact CG1-CE3 3.94Å; I47-W79 HydrophobicContact CG1-CH2 3.66Å; I47-W79 HydrophobicContact CG1-CZ2 3.46Å; I47-W79 VanDerWaalsContact CG1-CZ2 3.46Å; I47-W79 HydrophobicContact CG1-CZ3 3.9Å; I47-W79 HydrophobicContact CG2-CD2 4.21Å; I47-W79 HydrophobicContact CG2-CE3 3.59Å; I47-W79 HydrophobicContact CG2-CH2 4.08Å; I47-W79 HydrophobicContact CG2-CZ3 3.53Å; K77-W79 PolarHBondContact O-N 3.19Å; W79-T81 PolarHBondContact O-N 3.4Å; W79-T81 VanDerWaalsContact O-N 3.11Å; W79-G82 PolarHBondContact O-N 3.09Å; W79-F91 HydrophobicContact CB-CD1 4.4Å; W79-F91 HydrophobicContact CB-CE1 4.16Å; W79-H110 HydrophobicContact CE3-CB 4.37Å; W79-H110 AromaticContact CE3-ND1 3.46Å; W79-H110 AromaticContact CZ3-CE1 3.87Å; W79-H110 AromaticContact CZ3-ND1 3.66Å; W79-D121 PolarHBondContact NE1-O 3.36Å; W79-F122 HydrophobicContact CH2-CE1 4.16Å; W79-F122 HydrophobicContact CH2-CZ 4.12Å; W79-F122 HydrophobicContact CZ2-CD1 4.3Å; W79-F122 AromaticContact CZ2-CE1 3.49Å; W79-F122 HydrophobicContact CZ2-CE1 3.49Å; W79-F122 VanDerWaalsContact CZ2-CE1 3.49Å; W79-F122 HydrophobicContact CZ2-CE2 4.27Å; W79-F122 AromaticContact CZ2-CZ 3.46Å; W79-F122 HydrophobicContact CZ2-CZ 3.46Å; W79-F122 VanDerWaalsContact CZ2-CZ 3.46Å
80H98.3Very high98.5Very high3 Ų333 Ų331%0.01417%0.17CC..G310 helixtrans-50.4-38-175.3-63.6-72.5000114.5G82 H83 F111 V113 F115 M298H80-G82 PolarHBondContact O-N 2.83Å; H80-H83 PolarHBondContact O-CD2 3.02Å; H80-H83 VanDerWaalsContact O-CD2 3.27Å; H80-F111 WeakPolarHBondContact CE1-CB 3.49Å; H80-F111 AromaticContact CE1-CD1 3.88Å; H80-F111 AromaticContact CE1-CG 3.63Å; H80-V113 PolarHBondContact ND1-O 2.83Å; H80-F115 HydrophobicContact CB-CB 3.76Å; H80-F115 HydrophobicContact CB-CD1 3.97Å; H80-F115 HydrophobicContact CB-CD2 3.57Å; H80-F115 HydrophobicContact CB-CE1 4.47Å; H80-F115 HydrophobicContact CB-CE2 4.14Å; H80-F115 HydrophobicContact CB-CG 3.49Å; H80-F115 VanDerWaalsContact CB-CG 3.49Å; H80-F115 AromaticContact CD2-CE2 3.8Å; H80-F115 PolarHBondContact O-N 3.25Å; H80-M298 VanDerWaalsContact CE1-CE 3.44Å; H80-M298 WeakPolarHBondContact CE1-CE 3.38Å; H80-M298 WeakPolarHBondContact NE2-CE 3.25Å
81T98.2Very high98.5Very high5 Ų528.5 Ų28.53%0.03114%0.144CC..G310 helixtrans-81.3-1.2-178.953.50000113.8W79 F91 F115 P123W79-T81 PolarHBondContact O-N 3.4Å; W79-T81 VanDerWaalsContact O-N 3.11Å; T81-F91 WeakPolarHBondContact OG1-CZ 3.35Å; T81-F115 HydrophobicContact CG2-CB 3.73Å; T81-P123 HydrophobicContact CG2-CG 4.33Å
82G98.3Very high98.6Very high0 Ų024.5 Ų24.50%013%0.126CC..G310 helixtrans-103.58.2178.500000114.1W79 H80 D84 V88W79-G82 PolarHBondContact O-N 3.09Å; H80-G82 PolarHBondContact O-N 2.83Å; G82-D84 VanDerWaalsContact C-N 3.35Å; G82-D84 PolarHBondContact O-N 3.05Å; G82-V88 VanDerWaalsContact O-CG2 3.26Å; G82-V88 WeakPolarHBondContact O-CG2 3.46Å
83H98.6Very high98.6Very high2 Ų227.9 Ų27.91%0.00914%0.141CC..  trans-67.5-31.2-174.7-85.7-123.6000114.2H80 F111 V135 T140H80-H83 PolarHBondContact O-CD2 3.02Å; H80-H83 VanDerWaalsContact O-CD2 3.27Å; H83-F111 PolarHBondContact CE1-O 3.46Å; H83-F111 PolarHBondContact NE2-O 2.9Å; H83-F111 VanDerWaalsContact NE2-O 3.11Å; H83-V135 HydrophobicContact CB-CB 4.26Å; H83-V135 HydrophobicContact CB-CG2 4.37Å; H83-T140 HydrophobicContact CB-CG2 4.39Å; H83-T140 WeakPolarHBondContact O-CB 3.37Å; H83-T140 PolarHBondContact O-OG1 3.1Å
84D97.9Very high98.6Very high50 Ų5031.1 Ų31.127%0.26716%0.158SC..SBendtrans-54.8127.5173.3-175.9-38.9000109.4G82 E86 N87 V88G82-D84 VanDerWaalsContact C-N 3.35Å; G82-D84 PolarHBondContact O-N 3.05Å; D84-E86 PolarHBondContact O-N 2.89Å; D84-E86 PolarHBondContact OD1-N 3.05Å; D84-N87 HydrophobicContact CB-CB 4.43Å; D84-N87 WeakPolarHBondContact O-CA 3.43Å; D84-N87 PolarHBondContact O-N 3.49Å; D84-V88 PolarHBondContact O-N 3.47Å
85P98.4Very high98.6Very high49 Ų4931.1 Ų31.132%0.31816%0.157SC..Hα-helixtrans-46.8-35.1178.7-31.637.4000115.1N87 E139 A143P85-N87 VanDerWaalsContact C-N 3.26Å; P85-N87 PolarHBondContact O-N 2.86Å; P85-E139 HydrophobicContact CG-CB 3.96Å; P85-A143 HydrophobicContact CB-CB 3.99Å
86E97.9Very high98.6Very high169 Ų16931.6 Ų31.679%0.7916%0.16SC*.Hα-helixtrans-69.7-24.5179.4-62.2-171168.100112.6D84D84-E86 PolarHBondContact O-N 2.89Å; D84-E86 PolarHBondContact OD1-N 3.05Å
87N98.4Very high98.6Very high46 Ų4639.7 Ų39.725%0.24619%0.19CC..Hα-helixtrans-94.7-22-178.1-68.4-45.9000113.5D84 P85 K89 S90 F91D84-N87 HydrophobicContact CB-CB 4.43Å; D84-N87 WeakPolarHBondContact O-CA 3.43Å; D84-N87 PolarHBondContact O-N 3.49Å; P85-N87 VanDerWaalsContact C-N 3.26Å; P85-N87 PolarHBondContact O-N 2.86Å; N87-K89 VanDerWaalsContact C-N 3.31Å; N87-K89 PolarHBondContact O-N 3.06Å; N87-S90 PolarHBondContact O-N 3.2Å; N87-S90 PolarHBondContact O-OG 3.39Å; N87-F91 HydrophobicContact CB-CD2 4.26Å; N87-F91 HydrophobicContact CB-CE2 4.35Å; N87-F91 WeakPolarHBondContact O-CD2 3.45Å; N87-F91 PolarHBondContact O-N 3.35Å; N87-F91 VanDerWaalsContact O-N 3.14Å
88V98.8Very high98.6Very high1 Ų141.3 Ų41.31%0.00620%0.199CC..Hα-helixtrans-53.1-46.9-175.3170.80000112.5L78 G82 D84 C92 T140 A143 M144 L147L78-V88 HydrophobicContact CD2-CG1 4.41Å; L78-V88 HydrophobicContact CD2-CG2 3.87Å; G82-V88 VanDerWaalsContact O-CG2 3.26Å; G82-V88 WeakPolarHBondContact O-CG2 3.46Å; D84-V88 PolarHBondContact O-N 3.47Å; V88-C92 PolarHBondContact O-N 2.78Å; V88-T140 HydrophobicContact CG2-CG2 4.19Å; V88-A143 HydrophobicContact CB-CB 3.82Å; V88-A143 HydrophobicContact CG1-CB 4.02Å; V88-A143 HydrophobicContact CG2-CB 3.72Å; V88-M144 HydrophobicContact CG1-CG 4.27Å; V88-M144 HydrophobicContact CG1-SD 3.82Å; V88-L147 HydrophobicContact CG1-CD1 3.79Å; V88-L147 HydrophobicContact CG1-CD2 4.4Å; V88-L147 HydrophobicContact CG1-CG 4.19Å
89K98.8Very high98.6Very high77 Ų7741.4 Ų41.434%0.33520%0.2SC..Hα-helixtrans-66.5-44.9-179.1-179.9173.2172.1173.50112.6N87 F91 C92 E93 L147 E150 L152N87-K89 VanDerWaalsContact C-N 3.31Å; N87-K89 PolarHBondContact O-N 3.06Å; K89-F91 VanDerWaalsContact C-N 3.32Å; K89-F91 PolarHBondContact O-N 3.08Å; K89-C92 WeakPolarHBondContact O-CB 3.11Å; K89-C92 PolarHBondContact O-N 3.16Å; K89-C92 VanDerWaalsContact O-N 3.13Å; K89-E93 WeakPolarHBondContact CE-OE1 3.24Å; K89-E93 HydrophobicContact CG-CG 4.29Å; K89-E93 IonicContact NZ-OE1 3.65Å; K89-E93 WeakPolarHBondContact O-CG 3.27Å; K89-E93 PolarHBondContact O-N 3.29Å; K89-L147 HydrophobicContact CB-CD2 3.94Å; K89-L147 HydrophobicContact CG-CD2 4.19Å; K89-E150 WeakPolarHBondContact CE-OE2 3.31Å; K89-E150 IonicContact NZ-OE1 3.89Å; K89-E150 IonicContact NZ-OE2 2.71Å; K89-E150 PolarHBondContact NZ-OE2 3.22Å; K89-L152 HydrophobicContact CG-CD1 4.13Å
90S98.4Very high98.6Very high52 Ų5246.7 Ų46.736%0.36422%0.22SC..Hα-helixtrans-64.7-36.4-177.766.40000112.1N87 M94N87-S90 PolarHBondContact O-N 3.2Å; N87-S90 PolarHBondContact O-OG 3.39Å; S90-M94 WeakPolarHBondContact O-CB 3.25Å; S90-M94 PolarHBondContact O-N 3.32Å
91F98.7Very high98.6Very high28 Ų2847.3 Ų47.312%0.12322%0.223CC..Hα-helixtrans-65.6-40.5172.2-88.4-98.1000112.7Y46 L78 W79 T81 N87 K89 M94 S95Y46-F91 HydrophobicContact CD1-CD1 4.14Å; Y46-F91 AromaticContact CD1-CE1 3.93Å; Y46-F91 HydrophobicContact CD1-CE1 3.93Å; Y46-F91 HydrophobicContact CD2-CD1 4.31Å; Y46-F91 HydrophobicContact CE1-CD1 4.29Å; Y46-F91 AromaticContact CE1-CE1 3.67Å; Y46-F91 HydrophobicContact CE1-CE1 3.67Å; Y46-F91 HydrophobicContact CE2-CD1 4.46Å; Y46-F91 HydrophobicContact CE2-CE1 4.31Å; Y46-F91 HydrophobicContact CG-CD1 4.15Å; Y46-F91 HydrophobicContact CG-CE1 4.35Å; Y46-F91 AromaticContact CZ-CE1 3.88Å; L78-F91 HydrophobicContact CD1-CB 3.69Å; L78-F91 HydrophobicContact CD1-CG 4.17Å; W79-F91 HydrophobicContact CB-CD1 4.4Å; W79-F91 HydrophobicContact CB-CE1 4.16Å; T81-F91 WeakPolarHBondContact OG1-CZ 3.35Å; N87-F91 HydrophobicContact CB-CD2 4.26Å; N87-F91 HydrophobicContact CB-CE2 4.35Å; N87-F91 WeakPolarHBondContact O-CD2 3.45Å; N87-F91 PolarHBondContact O-N 3.35Å; N87-F91 VanDerWaalsContact O-N 3.14Å; K89-F91 VanDerWaalsContact C-N 3.32Å; K89-F91 PolarHBondContact O-N 3.08Å; F91-M94 PolarHBondContact O-N 2.9Å; F91-S95 PolarHBondContact O-N 3.02Å; F91-S95 VanDerWaalsContact O-N 3.11Å; F91-S95 PolarHBondContact O-OG 2.89Å
92C98.9Very high98.6Very high0 Ų054.1 Ų54.10%026%0.259CS..Hα-helixtrans-63.3-48.3175.5-173.50000111.2V88 K89 M94 S95 L96 Y107 L147V88-C92 PolarHBondContact O-N 2.78Å; K89-C92 WeakPolarHBondContact O-CB 3.11Å; K89-C92 PolarHBondContact O-N 3.16Å; K89-C92 VanDerWaalsContact O-N 3.13Å; C92-M94 VanDerWaalsContact C-N 3.31Å; C92-M94 PolarHBondContact O-N 3.26Å; C92-S95 WeakPolarHBondContact O-CB 3.3Å; C92-S95 PolarHBondContact O-N 3.4Å; C92-S95 VanDerWaalsContact O-N 3.14Å; C92-L96 WeakPolarHBondContact O-CG 3.3Å; C92-L96 PolarHBondContact O-N 3.17Å; C92-Y107 HydrophobicContact CB-CD1 4.48Å; C92-Y107 HydrophobicContact CB-CE1 3.9Å; C92-Y107 PolarHBondContact N-OH 3.39Å; C92-L147 HydrophobicContact CB-CD1 3.84Å; C92-L147 HydrophobicContact CB-CD2 4.23Å
93E98.8Very high98.6Very high75 Ų7556.2 Ų56.235%0.3527%0.268SS..Hα-helixtrans-62.1-35.7177.4-72.1179.3159.700112.7K89 L96 R97 L152K89-E93 WeakPolarHBondContact CE-OE1 3.24Å; K89-E93 HydrophobicContact CG-CG 4.29Å; K89-E93 IonicContact NZ-OE1 3.65Å; K89-E93 WeakPolarHBondContact O-CG 3.27Å; K89-E93 PolarHBondContact O-N 3.29Å; E93-L96 PolarHBondContact O-N 2.96Å; E93-R97 WeakPolarHBondContact O-CB 3.41Å; E93-R97 PolarHBondContact O-N 2.9Å; E93-L152 HydrophobicContact CG-CD1 4.29Å
94M98.7Very high98.6Very high78 Ų7856.1 Ų56.138%0.38427%0.267SS..Hα-helixtrans-61.6-47.1173.2-167.675.37300111.1Y46 S90 F91 C92 R97 N98Y46-M94 HydrophobicContact CD2-CG 4.45Å; Y46-M94 HydrophobicContact CE2-CG 4.32Å; S90-M94 WeakPolarHBondContact O-CB 3.25Å; S90-M94 PolarHBondContact O-N 3.32Å; F91-M94 PolarHBondContact O-N 2.9Å; C92-M94 VanDerWaalsContact C-N 3.31Å; C92-M94 PolarHBondContact O-N 3.26Å; M94-R97 PolarHBondContact O-N 2.84Å; M94-N98 WeakPolarHBondContact O-CB 3.47Å; M94-N98 PolarHBondContact O-N 2.74Å; M94-N98 PolarHBondContact O-ND2 3.36Å
95S98.9Very high98.7Very high0 Ų054.6 Ų54.60%026%0.259CS..Hα-helixtrans-63-44.6178.6-51.70000110.9E51 F91 C92 R97 N98 L99E51-S95 WeakPolarHBondContact OE2-CA 3.31Å; F91-S95 PolarHBondContact O-N 3.02Å; F91-S95 VanDerWaalsContact O-N 3.11Å; F91-S95 PolarHBondContact O-OG 2.89Å; C92-S95 WeakPolarHBondContact O-CB 3.3Å; C92-S95 PolarHBondContact O-N 3.4Å; C92-S95 VanDerWaalsContact O-N 3.14Å; S95-R97 PolarHBondContact O-N 3.06Å; S95-N98 PolarHBondContact O-N 2.88Å; S95-L99 VanDerWaalsContact O-CB 3.29Å; S95-L99 WeakPolarHBondContact O-CB 3.42Å; S95-L99 VanDerWaalsContact O-CG 3.28Å; S95-L99 WeakPolarHBondContact O-CG 3.13Å; S95-L99 PolarHBondContact O-N 3.1Å
96L98.9Very high98.7Very high10 Ų1052.3 Ų52.35%0.05224%0.244CC..Hα-helixtrans-57.9-45.5174.9-75171.8000112.3C92 E93 L99 R100 L101 Y103 L104 L152C92-L96 WeakPolarHBondContact O-CG 3.3Å; C92-L96 PolarHBondContact O-N 3.17Å; E93-L96 PolarHBondContact O-N 2.96Å; L96-L99 PolarHBondContact O-N 3.19Å; L96-R100 PolarHBondContact O-N 3.07Å; L96-L101 HydrophobicContact CD2-CB 4.04Å; L96-L101 PolarHBondContact O-N 3.22Å; L96-Y103 VanDerWaalsContact CD2-CA 3.46Å; L96-L104 HydrophobicContact CD2-CD2 4.47Å; L96-L104 HydrophobicContact CD2-CG 3.82Å; L96-L104 HydrophobicContact CG-CG 4.47Å; L96-L152 HydrophobicContact CD1-CB 4.12Å; L96-L152 HydrophobicContact CD1-CD2 3.92Å
97R98.8Very high98.8Very high170 Ų17044.3 Ų44.364%0.64221%0.206SC*.Hα-helixtrans-63.2-47.6177.8-172.7-171.6-52.81735.6111.9E93 M94 S95 L99 R100E93-R97 WeakPolarHBondContact O-CB 3.41Å; E93-R97 PolarHBondContact O-N 2.9Å; M94-R97 PolarHBondContact O-N 2.84Å; S95-R97 PolarHBondContact O-N 3.06Å; R97-L99 VanDerWaalsContact C-N 3.34Å; R97-L99 PolarHBondContact O-N 3.19Å; R97-R100 PolarHBondContact O-N 3.2Å; R97-R100 VanDerWaalsContact O-N 3.17Å
98N98.8Very high98.8Very high35 Ų3542.1 Ų42.119%0.18720%0.195CC..Hα-helixtrans-61.5-44.9179.3-69.4-18.2000110.9E51 I52 M94 S95 R100E51-N98 HydrophobicContact CB-CB 3.62Å; E51-N98 CarbonylContact O-C 3.56Å; E51-N98 VanDerWaalsContact O-O 3.13Å; I52-N98 WeakPolarHBondContact CA-O 3.24Å; I52-N98 HydrophobicContact CG1-CB 3.89Å; M94-N98 WeakPolarHBondContact O-CB 3.47Å; M94-N98 PolarHBondContact O-N 2.74Å; M94-N98 PolarHBondContact O-ND2 3.36Å; S95-N98 PolarHBondContact O-N 2.88Å; N98-R100 PolarHBondContact O-N 3.17Å
99L98.9Very high98.8Very high1 Ų142 Ų421%0.00519%0.194CC..Hα-helixtrans-75.5-7.3178.7-67.2167000113.7E51 V54 G55 I74 S95 L96 R97 L101 L104E51-L99 HydrophobicContact CB-CD2 4.05Å; E51-L99 HydrophobicContact CB-CG 4.11Å; E51-L99 HydrophobicContact CG-CD2 4.2Å; E51-L99 HydrophobicContact CG-CG 4.28Å; V54-L99 HydrophobicContact CB-CD2 4.03Å; V54-L99 HydrophobicContact CG1-CD2 3.65Å; G55-L99 VanDerWaalsContact CA-O 3.24Å; G55-L99 WeakPolarHBondContact CA-O 3.37Å; I74-L99 HydrophobicContact CG2-CD1 4.13Å; S95-L99 VanDerWaalsContact O-CB 3.29Å; S95-L99 WeakPolarHBondContact O-CB 3.42Å; S95-L99 VanDerWaalsContact O-CG 3.28Å; S95-L99 WeakPolarHBondContact O-CG 3.13Å; S95-L99 PolarHBondContact O-N 3.1Å; L96-L99 PolarHBondContact O-N 3.19Å; R97-L99 VanDerWaalsContact C-N 3.34Å; R97-L99 PolarHBondContact O-N 3.19Å; L99-L101 HydrophobicContact CB-CD1 3.91Å; L99-L101 HydrophobicContact CB-CG 3.96Å; L99-L101 WeakPolarHBondContact O-CG 2.83Å; L99-L104 HydrophobicContact CD1-CD2 3.77Å
100R98.7Very high98.8Very high129 Ų12939.4 Ų39.449%0.48718%0.183SC..THydrogen-bonded Turntrans58.244.5-176-54.2-176.8174.8-164.7-2.9113I56 E59 L96 R97 N98I56-R100 VanDerWaalsContact CG1-CZ 3.49Å; I56-R100 VanDerWaalsContact CG1-NH2 3.31Å; E59-R100 WeakPolarHBondContact OE2-CD 3.21Å; E59-R100 IonicContact OE2-CZ 2.82Å; E59-R100 IonicContact OE2-NH1 2.89Å; E59-R100 PolarHBondContact OE2-NH1 3.05Å; L96-R100 PolarHBondContact O-N 3.07Å; R97-R100 PolarHBondContact O-N 3.2Å; R97-R100 VanDerWaalsContact O-N 3.17Å; N98-R100 PolarHBondContact O-N 3.17Å
101L98.8Very high98.8Very high16 Ų1637.1 Ų37.18%0.08417%0.167CC..  trans-121.8152.2-176.4-63.1-179.7000112.1L58 I74 L96 L99 L104L58-L101 HydrophobicContact CD2-CD1 4.03Å; L58-L101 HydrophobicContact CD2-CD2 3.73Å; L58-L101 HydrophobicContact CD2-CG 4.14Å; I74-L101 HydrophobicContact CB-CD1 3.94Å; I74-L101 HydrophobicContact CG1-CD1 3.9Å; I74-L101 HydrophobicContact CG2-CD1 3.79Å; L96-L101 HydrophobicContact CD2-CB 4.04Å; L96-L101 PolarHBondContact O-N 3.22Å; L99-L101 HydrophobicContact CB-CD1 3.91Å; L99-L101 HydrophobicContact CB-CG 3.96Å; L99-L101 WeakPolarHBondContact O-CG 2.83Å; L101-L104 HydrophobicContact CD1-CD2 4.36Å
102N98.4Very high98.8Very high149 Ų14935.8 Ų35.880%0.79716%0.161SC*.SBendtrans-88.8-21171.5-63.7-32.2000112.8
103Y98.9Very high98.8Very high44 Ų4435.8 Ų35.817%0.17316%0.161CC..  trans-152.7157.3175.867-93000111.7R69 L96 L152 K154R69-Y103 HydrophobicContact CG-CE1 4.1Å; R69-Y103 PolarHBondContact NH2-O 2.9Å; L96-Y103 VanDerWaalsContact CD2-CA 3.46Å; Y103-L152 CarbonylContact C-O 3.49Å; Y103-L152 WeakPolarHBondContact CA-O 3.48Å; Y103-K154 HydrophobicContact CD2-CD 4.27Å; Y103-K154 HydrophobicContact CD2-CG 3.71Å; Y103-K154 HydrophobicContact CE2-CG 3.98Å
104L98.9Very high98.7Very high0 Ų032.3 Ų32.30%015%0.145CC..BIsolated β-bridgetrans-100.3147.2166-66.7167.6000110.4I74 L96 L99 L101 Y107 L152 V153 K154I74-L104 HydrophobicContact CB-CD2 4.37Å; I74-L104 HydrophobicContact CG2-CD2 3.92Å; L96-L104 HydrophobicContact CD2-CD2 4.47Å; L96-L104 HydrophobicContact CD2-CG 3.82Å; L96-L104 HydrophobicContact CG-CG 4.47Å; L99-L104 HydrophobicContact CD1-CD2 3.77Å; L101-L104 HydrophobicContact CD1-CD2 4.36Å; L104-Y107 HydrophobicContact CD1-CD2 3.53Å; L104-Y107 HydrophobicContact CD1-CE2 4.16Å; L104-Y107 HydrophobicContact CD1-CG 4.16Å; L104-L152 PolarHBondContact N-O 3.03Å; L104-V153 HydrophobicContact CB-CG1 4.23Å; L104-V153 CarbonylContact O-C 3.46Å; L104-V153 VanDerWaalsContact O-CA 3.32Å; L104-V153 WeakPolarHBondContact O-CA 3.25Å; L104-K154 PolarHBondContact O-N 2.91Å
105D98.9Very high98.7Very high18 Ų1828.9 Ų28.910%0.09613%0.128CC..SBendtrans-77.8-34.1176-61.9-85000111.3R69 L72 F73 I74 S155R69-D105 IonicContact CZ-OD2 2.83Å; R69-D105 IonicContact NH1-OD1 3.05Å; R69-D105 IonicContact NH1-OD2 2.9Å; R69-D105 PolarHBondContact NH1-OD2 3.22Å; R69-D105 IonicContact NH2-OD2 3.68Å; R69-D105 PolarHBondContact NH2-OD2 2.94Å; L72-D105 VanDerWaalsContact O-OD2 3.12Å; F73-D105 WeakPolarHBondContact CA-OD2 3.47Å; F73-D105 HydrophobicContact CB-CB 4.44Å; F73-D105 HydrophobicContact CD1-CB 4.04Å; F73-D105 HydrophobicContact CD2-CB 3.69Å; F73-D105 HydrophobicContact CE1-CB 4.18Å; F73-D105 HydrophobicContact CE2-CB 3.84Å; F73-D105 HydrophobicContact CG-CB 3.8Å; F73-D105 HydrophobicContact CZ-CB 4.1Å; I74-D105 PolarHBondContact N-OD2 2.83Å; I74-D105 PolarHBondContact O-N 2.99Å; D105-S155 WeakPolarHBondContact O-CB 3.3Å; D105-S155 PolarHBondContact O-N 3.15Å; D105-S155 PolarHBondContact O-OG 3.07Å; D105-S155 VanDerWaalsContact O-OG 3.1Å
106L99Very high98.6Very high1 Ų134.2 Ų34.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-141.8129.6176.6-179.361.2000110.5I12 F73 I74 T75 S76 L108 S155 V178 N179I12-L106 HydrophobicContact CD1-CD2 4.38Å; F73-L106 HydrophobicContact CE1-CB 3.56Å; F73-L106 HydrophobicContact CE1-CD2 4Å; F73-L106 HydrophobicContact CE1-CG 4.46Å; F73-L106 HydrophobicContact CZ-CB 3.68Å; F73-L106 HydrophobicContact CZ-CD2 4.2Å; I74-L106 PolarHBondContact O-N 3.24Å; T75-L106 VanDerWaalsContact CA-O 3.27Å; T75-L106 WeakPolarHBondContact CA-O 3.33Å; T75-L106 HydrophobicContact CG2-CB 4.2Å; T75-L106 HydrophobicContact CG2-CD2 4.03Å; T75-L106 HydrophobicContact CG2-CG 4.07Å; S76-L106 PolarHBondContact N-O 3.35Å; S76-L106 VanDerWaalsContact N-O 3.15Å; L106-L108 HydrophobicContact CD1-CD2 3.8Å; L106-L108 HydrophobicContact CD2-CD2 3.93Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 3.76Å; L106-L108 HydrophobicContact CG-CG 4.13Å; L106-S155 CarbonylContact C-O 3.54Å; L106-S155 WeakPolarHBondContact CA-O 3.45Å; L106-V178 HydrophobicContact CD1-CG2 4.27Å; L106-N179 HydrophobicContact CD1-CB 4.16Å; L106-N179 HydrophobicContact CD2-CB 3.88Å
107Y99Very high98.5Very high0 Ų035.5 Ų35.50%016%0.163CC..EExtended strand (participates in β ladder)trans-122.8124.2171-166.5-125.8000110.3S76 L78 C92 L104 M144 L147 V153 S155 I156 G157S76-Y107 VanDerWaalsContact C-CD2 3.46Å; S76-Y107 WeakPolarHBondContact O-CA 3.27Å; S76-Y107 WeakPolarHBondContact O-CD2 3.34Å; L78-Y107 VanDerWaalsContact CA-OH 3.29Å; L78-Y107 WeakPolarHBondContact CA-OH 3.43Å; L78-Y107 HydrophobicContact CB-CE1 3.84Å; L78-Y107 HydrophobicContact CD1-CE1 4.39Å; L78-Y107 WeakPolarHBondContact CD1-OH 3.39Å; C92-Y107 HydrophobicContact CB-CD1 4.48Å; C92-Y107 HydrophobicContact CB-CE1 3.9Å; C92-Y107 PolarHBondContact N-OH 3.39Å; L104-Y107 HydrophobicContact CD1-CD2 3.53Å; L104-Y107 HydrophobicContact CD1-CE2 4.16Å; L104-Y107 HydrophobicContact CD1-CG 4.16Å; Y107-M144 HydrophobicContact CD1-CE 3.34Å; Y107-M144 HydrophobicContact CD1-SD 3.65Å; Y107-M144 HydrophobicContact CE1-CE 3.97Å; Y107-M144 HydrophobicContact CE1-SD 3.73Å; Y107-M144 HydrophobicContact CG-CE 4.08Å; Y107-M144 WeakPolarHBondContact O-CE 3.41Å; Y107-L147 HydrophobicContact CD1-CD1 3.62Å; Y107-L147 HydrophobicContact CE1-CD1 3.77Å; Y107-V153 HydrophobicContact CD1-CG1 4.37Å; Y107-V153 HydrophobicContact CG-CG1 4.15Å; Y107-S155 PolarHBondContact N-O 2.82Å; Y107-I156 VanDerWaalsContact O-CA 3.28Å; Y107-I156 WeakPolarHBondContact O-CA 3.45Å; Y107-G157 PolarHBondContact O-N 3.11Å
108L99Very high98.2Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-106.5142.6-173.2-56.9175.4000110.9T75 S76 K77 L78 L106 H110 G157 N179 Q181T75-L108 HydrophobicContact CG2-CD1 3.87Å; T75-L108 HydrophobicContact CG2-CG 4.11Å; S76-L108 PolarHBondContact O-N 2.78Å; K77-L108 CarbonylContact C-O 3.57Å; K77-L108 VanDerWaalsContact CA-O 3.22Å; K77-L108 WeakPolarHBondContact CA-O 3.18Å; K77-L108 HydrophobicContact CB-CB 4.37Å; K77-L108 HydrophobicContact CD-CD1 4.43Å; K77-L108 HydrophobicContact CG-CB 4.14Å; K77-L108 HydrophobicContact CG-CD1 4.34Å; L78-L108 PolarHBondContact N-O 3.29Å; L106-L108 HydrophobicContact CD1-CD2 3.8Å; L106-L108 HydrophobicContact CD2-CD2 3.93Å; L106-L108 HydrophobicContact CD2-CG 4.37Å; L106-L108 HydrophobicContact CG-CD2 3.76Å; L106-L108 HydrophobicContact CG-CG 4.13Å; L108-H110 PolarHBondContact O-N 3.42Å; L108-G157 WeakPolarHBondContact CA-O 3.44Å; L108-G157 VanDerWaalsContact CD2-C 3.42Å; L108-G157 VanDerWaalsContact CD2-CA 3.49Å; L108-N179 HydrophobicContact CD2-CB 4.47Å; L108-Q181 HydrophobicContact CD1-CB 3.67Å; L108-Q181 HydrophobicContact CD1-CG 4.42Å
109I98.9Very high97.8Very high0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-67.4114.1154.9-58.4179.3000106.5F111 T140 W141 M144 G157 L158 S159 F161I109-F111 VanDerWaalsContact C-N 3.27Å; I109-F111 WeakPolarHBondContact CG2-O 3.42Å; I109-F111 PolarHBondContact O-N 3.35Å; I109-T140 HydrophobicContact CD1-CG2 3.82Å; I109-T140 HydrophobicContact CG1-CG2 4.32Å; I109-W141 HydrophobicContact CD1-CE3 3.83Å; I109-W141 HydrophobicContact CD1-CZ3 4.41Å; I109-M144 HydrophobicContact CD1-CG 4.2Å; I109-M144 HydrophobicContact CG1-CE 4.09Å; I109-M144 HydrophobicContact CG1-CG 3.99Å; I109-M144 HydrophobicContact CG1-SD 4.24Å; I109-G157 PolarHBondContact N-O 2.96Å; I109-L158 HydrophobicContact CD1-CD2 4.46Å; I109-S159 WeakPolarHBondContact O-CB 3.29Å; I109-S159 PolarHBondContact O-N 3.44Å; I109-F161 HydrophobicContact CB-CE2 3.98Å; I109-F161 HydrophobicContact CB-CZ 4.12Å; I109-F161 HydrophobicContact CD1-CZ 4.19Å; I109-F161 HydrophobicContact CG2-CE2 3.79Å; I109-F161 HydrophobicContact CG2-CZ 3.89Å
110H98.8Very high97.7Very high21 Ų2138.7 Ų38.710%0.09722%0.217CC..SBendtrans-64.7-33.7-169.6-158.8153.9000112.2I47 Y48 K77 L78 W79 L108 S159 N160I47-H110 VanDerWaalsContact CG2-CE1 3.42Å; I47-H110 WeakPolarHBondContact CG2-CE1 3.29Å; Y48-H110 AromaticContact CE1-CE1 3.79Å; K77-H110 HydrophobicContact CB-CB 3.68Å; K77-H110 HydrophobicContact CD-CB 4.38Å; L78-H110 WeakPolarHBondContact O-CB 3.49Å; L78-H110 PolarHBondContact O-N 3.45Å; W79-H110 HydrophobicContact CE3-CB 4.37Å; W79-H110 AromaticContact CE3-ND1 3.46Å; W79-H110 AromaticContact CZ3-CE1 3.87Å; W79-H110 AromaticContact CZ3-ND1 3.66Å; L108-H110 PolarHBondContact O-N 3.42Å; H110-S159 CarbonylContact C-O 3.52Å; H110-S159 CarbonylContact O-C 3.51Å; H110-S159 VanDerWaalsContact O-CB 3.28Å; H110-S159 WeakPolarHBondContact O-CB 3.46Å; H110-S159 VanDerWaalsContact O-O 3.09Å; H110-S159 PolarHBondContact O-OG 2.9Å; H110-N160 PolarHBondContact O-ND2 3.2Å
111F98.6Very high97.6Very high4 Ų434 Ų342%0.01820%0.202CC..  trans-157.4148.6178.9-146.6-89.1000109H80 H83 I109 V113 S159 N160 M295 M298 P305 F306H80-F111 WeakPolarHBondContact CE1-CB 3.49Å; H80-F111 AromaticContact CE1-CD1 3.88Å; H80-F111 AromaticContact CE1-CG 3.63Å; H83-F111 PolarHBondContact CE1-O 3.46Å; H83-F111 PolarHBondContact NE2-O 2.9Å; H83-F111 VanDerWaalsContact NE2-O 3.11Å; I109-F111 VanDerWaalsContact C-N 3.27Å; I109-F111 WeakPolarHBondContact CG2-O 3.42Å; I109-F111 PolarHBondContact O-N 3.35Å; F111-V113 HydrophobicContact CD1-CB 3.79Å; F111-V113 HydrophobicContact CD1-CG2 3.65Å; F111-V113 HydrophobicContact CE1-CB 4.33Å; F111-V113 HydrophobicContact CE1-CG2 3.74Å; F111-V113 PolarHBondContact O-N 2.88Å; F111-V113 VanDerWaalsContact O-N 3.11Å; F111-S159 WeakPolarHBondContact CA-O 3.26Å; F111-N160 HydrophobicContact CD2-CB 3.38Å; F111-N160 WeakPolarHBondContact CD2-ND2 3.49Å; F111-N160 HydrophobicContact CE2-CB 3.39Å; F111-N160 HydrophobicContact CG-CB 4.06Å; F111-N160 HydrophobicContact CZ-CB 4.11Å; F111-M295 HydrophobicContact CE2-CG 3.95Å; F111-M295 HydrophobicContact CZ-CB 4.23Å; F111-M295 HydrophobicContact CZ-CG 4.14Å; F111-M298 HydrophobicContact CD1-SD 4.02Å; F111-M298 HydrophobicContact CE1-SD 3.87Å; F111-M298 HydrophobicContact CZ-SD 4.27Å; F111-P305 HydrophobicContact CD1-CG 4.44Å; F111-P305 HydrophobicContact CE1-CG 3.57Å; F111-P305 HydrophobicContact CZ-CG 3.66Å; F111-F306 AromaticContact CE2-CE2 3.96Å; F111-F306 HydrophobicContact CE2-CE2 3.96Å; F111-F306 AromaticContact CE2-CZ 3.93Å; F111-F306 HydrophobicContact CE2-CZ 3.93Å; F111-F306 HydrophobicContact CZ-CD2 4.35Å; F111-F306 AromaticContact CZ-CE2 3.56Å; F111-F306 HydrophobicContact CZ-CE2 3.56Å; F111-F306 AromaticContact CZ-CZ 3.78Å; F111-F306 HydrophobicContact CZ-CZ 3.78Å
112P98.2Very high97.5Very high1 Ų138.5 Ų38.51%0.00622%0.221CC..SBendtrans-74.77.7179.529.8-37.7000114.9L137 F161 E303 P305P112-L137 HydrophobicContact CB-CD1 4.1Å; P112-L137 HydrophobicContact CB-CD2 3.99Å; P112-L137 WeakPolarHBondContact O-CD2 3.44Å; P112-F161 HydrophobicContact CB-CD1 4.32Å; P112-F161 HydrophobicContact CB-CD2 3.97Å; P112-F161 HydrophobicContact CB-CE1 4.06Å; P112-F161 HydrophobicContact CB-CE2 3.7Å; P112-F161 HydrophobicContact CB-CG 4.25Å; P112-F161 HydrophobicContact CB-CZ 3.73Å; P112-F161 HydrophobicContact CG-CD2 4.11Å; P112-F161 HydrophobicContact CG-CE2 4.25Å; P112-F161 HydrophobicContact CG-CG 4.46Å; P112-E303 HydrophobicContact CB-CB 4.42Å; P112-E303 WeakPolarHBondContact CG-O 2.92Å; P112-E303 WeakPolarHBondContact O-CB 3.42Å; P112-P305 HydrophobicContact CG-CB 3.97Å; P112-P305 HydrophobicContact CG-CG 3.88Å
113V98.2Very high97.4Very high0 Ų032.1 Ų32.10%019%0.188CC..  trans-102.4125.6-176.2167.60000109.2H80 F111 F115 F132 M298 H301H80-V113 PolarHBondContact ND1-O 2.83Å; F111-V113 HydrophobicContact CD1-CB 3.79Å; F111-V113 HydrophobicContact CD1-CG2 3.65Å; F111-V113 HydrophobicContact CE1-CB 4.33Å; F111-V113 HydrophobicContact CE1-CG2 3.74Å; F111-V113 PolarHBondContact O-N 2.88Å; F111-V113 VanDerWaalsContact O-N 3.11Å; V113-F115 HydrophobicContact CG1-CD1 3.98Å; V113-F115 HydrophobicContact CG1-CE1 3.64Å; V113-F132 HydrophobicContact CG1-CD1 4.17Å; V113-F132 HydrophobicContact CG1-CE1 4.2Å; V113-M298 HydrophobicContact CB-SD 4.37Å; V113-M298 HydrophobicContact CG1-CB 4.19Å; V113-M298 HydrophobicContact CG1-CG 4.18Å; V113-M298 HydrophobicContact CG1-SD 4.34Å; V113-M298 HydrophobicContact CG2-CB 4.32Å; V113-H301 HydrophobicContact CG1-CB 3.89Å; V113-H301 HydrophobicContact CG2-CB 4.13Å
114S98.1Very high97.3Very high1 Ų133.2 Ų33.21%0.00720%0.199CC..  trans-93.5134.3176.746.40000111.5D133 V135 H301S114-D133 PolarHBondContact O-N 3.4Å; S114-D133 VanDerWaalsContact OG-C 3.26Å; S114-D133 PolarHBondContact OG-O 2.91Å; S114-V135 PolarHBondContact OG-N 3.11Å; S114-H301 PolarHBondContact N-NE2 3.04Å; S114-H301 PolarHBondContact O-NE2 3.33Å; S114-H301 PolarHBondContact OG-NE2 2.8Å
115F97.9Very high97.2Very high6 Ų636 Ų363%0.02621%0.214CC..BIsolated β-bridgetrans-104.2151.9170.7-71.7-0.5000109.2H80 T81 V113 A117 F122 P123 P130 F132 M298H80-F115 HydrophobicContact CB-CB 3.76Å; H80-F115 HydrophobicContact CB-CD1 3.97Å; H80-F115 HydrophobicContact CB-CD2 3.57Å; H80-F115 HydrophobicContact CB-CE1 4.47Å; H80-F115 HydrophobicContact CB-CE2 4.14Å; H80-F115 HydrophobicContact CB-CG 3.49Å; H80-F115 VanDerWaalsContact CB-CG 3.49Å; H80-F115 AromaticContact CD2-CE2 3.8Å; H80-F115 PolarHBondContact O-N 3.25Å; T81-F115 HydrophobicContact CG2-CB 3.73Å; V113-F115 HydrophobicContact CG1-CD1 3.98Å; V113-F115 HydrophobicContact CG1-CE1 3.64Å; F115-A117 PolarHBondContact O-N 3.24Å; F115-F122 HydrophobicContact CE2-CD1 4.07Å; F115-P123 HydrophobicContact CB-CG 3.89Å; F115-P123 HydrophobicContact CG-CG 4.49Å; F115-P130 HydrophobicContact CE1-CB 4.36Å; F115-P130 HydrophobicContact CZ-CB 4.29Å; F115-F132 AromaticContact CD1-CD1 3.8Å; F115-F132 HydrophobicContact CD1-CD1 3.8Å; F115-F132 HydrophobicContact CD1-CE1 4.12Å; F115-F132 AromaticContact CE1-CD1 3.83Å; F115-F132 HydrophobicContact CE1-CD1 3.83Å; F115-F132 AromaticContact CE1-CE1 3.66Å; F115-F132 HydrophobicContact CE1-CE1 3.66Å; F115-M298 HydrophobicContact CE1-CE 4.39Å; F115-M298 HydrophobicContact CE1-CG 3.98Å; F115-M298 HydrophobicContact CE2-CE 4.42Å; F115-M298 HydrophobicContact CZ-CE 3.68Å; F115-M298 HydrophobicContact CZ-CG 3.92Å; F115-M298 HydrophobicContact CZ-SD 4.36Å
116K97.5Very high97Very high113 Ų11343.8 Ų43.849%0.49125%0.25SC..  trans-52.2124.8176.7178.7174.7178.2179.20110.5P123 I131K116-P123 HydrophobicContact CB-CB 4.48Å; K116-P123 HydrophobicContact CB-CG 4.23Å; K116-P123 WeakPolarHBondContact O-CG 3.39Å; K116-I131 HydrophobicContact CB-CB 4.14Å; K116-I131 HydrophobicContact CB-CG2 3.75Å; K116-I131 HydrophobicContact CD-CB 4.49Å; K116-I131 HydrophobicContact CD-CG2 3.7Å; K116-I131 HydrophobicContact CG-CG2 4.36Å; K116-I131 PolarHBondContact N-O 2.88Å
117A95.8Very high96.8Very high37 Ų3749 Ų4931%0.30628%0.277SS..  trans-60.1147.3176.100000111.7F115F115-A117 PolarHBondContact O-N 3.24Å
118G93.1Very high96.5Very high60 Ų6055.2 Ų55.262%0.61931%0.311SS*.SBendtrans161.8-164.4-178.500000113
119T91.4Very high96.3Very high154 Ų15459.2 Ų59.295%0.94533%0.332SS*.SBendtrans-83.3-21.5-178.6530000114
120S96.2Very high96.1Very high58 Ų5861 Ų6141%0.40634%0.344SS..  trans-87.2132.2175.9-177.20000110.1F122S120-F122 PolarHBondContact O-N 2.99Å; S120-F122 PolarHBondContact OG-N 3.17Å; S120-F122 PolarHBondContact OG-O 3.09Å
121D96.7Very high96Very high31 Ų3162.6 Ų62.617%0.16635%0.353CS..SBendtrans-69.1-21.2171.7-56.6-55.3000112.7Y46 I47 K49 W79Y46-D121 WeakPolarHBondContact CE1-OD1 3.32Å; Y46-D121 PolarHBondContact OH-OD1 3.41Å; I47-D121 HydrophobicContact CD1-CB 3.75Å; K49-D121 WeakPolarHBondContact CE-OD2 3.46Å; K49-D121 IonicContact NZ-OD1 3.72Å; K49-D121 PolarHBondContact NZ-OD1 3.35Å; K49-D121 IonicContact NZ-OD2 3.36Å; K49-D121 PolarHBondContact NZ-OD2 3.17Å; W79-D121 PolarHBondContact NE1-O 3.36Å
122F96.2Very high96Very high110 Ų11065.1 Ų65.148%0.48236%0.364SS..SBendtrans-132.176.8178.8-62.4-86.8000108.3I47 W79 F115 S120 T124I47-F122 HydrophobicContact CD1-CE2 3.79Å; I47-F122 HydrophobicContact CD1-CZ 4.06Å; I47-F122 HydrophobicContact CG1-CE2 4.37Å; I47-F122 HydrophobicContact CG1-CZ 4.2Å; W79-F122 HydrophobicContact CH2-CE1 4.16Å; W79-F122 HydrophobicContact CH2-CZ 4.12Å; W79-F122 HydrophobicContact CZ2-CD1 4.3Å; W79-F122 AromaticContact CZ2-CE1 3.49Å; W79-F122 HydrophobicContact CZ2-CE1 3.49Å; W79-F122 VanDerWaalsContact CZ2-CE1 3.49Å; W79-F122 HydrophobicContact CZ2-CE2 4.27Å; W79-F122 AromaticContact CZ2-CZ 3.46Å; W79-F122 HydrophobicContact CZ2-CZ 3.46Å; W79-F122 VanDerWaalsContact CZ2-CZ 3.46Å; F115-F122 HydrophobicContact CE2-CD1 4.07Å; S120-F122 PolarHBondContact O-N 2.99Å; S120-F122 PolarHBondContact OG-N 3.17Å; S120-F122 PolarHBondContact OG-O 3.09Å; F122-T124 PolarHBondContact O-N 3.39Å
123P97.1Very high95.8Very high16 Ų1667.7 Ų67.710%0.10438%0.377CS..  trans-65.3131.7178.229.8-36.9000110T81 F115 K116 P130 I131T81-P123 HydrophobicContact CG2-CG 4.33Å; F115-P123 HydrophobicContact CB-CG 3.89Å; F115-P123 HydrophobicContact CG-CG 4.49Å; K116-P123 HydrophobicContact CB-CB 4.48Å; K116-P123 HydrophobicContact CB-CG 4.23Å; K116-P123 WeakPolarHBondContact O-CG 3.39Å; P123-P130 WeakPolarHBondContact O-CA 3.13Å; P123-I131 HydrophobicContact CB-CB 4.34Å; P123-I131 PolarHBondContact O-N 3.15Å
124T96.7Very high95.4Very high67 Ų6772.9 Ų72.941%0.41141%0.409SS..BIsolated β-bridgetrans-129.2152178.759.20000112.4F122 N129 I131F122-T124 PolarHBondContact O-N 3.39Å; T124-N129 CarbonylContact C-O 2.88Å; T124-N129 WeakPolarHBondContact CA-O 3.49Å; T124-N129 WeakPolarHBondContact CB-O 3.36Å; T124-I131 WeakPolarHBondContact O-CD1 3.46Å
125D95.2Very high95.4Very high57 Ų5773.6 Ų73.631%0.30541%0.413SS..  trans-75.6-177.4169.3736.3000111.6N127 N128 N129 I131D125-N127 PolarHBondContact O-N 3.37Å; D125-N127 VanDerWaalsContact OD1-C 3.29Å; D125-N127 VanDerWaalsContact OD1-CA 3.29Å; D125-N127 WeakPolarHBondContact OD1-CA 3.27Å; D125-N127 WeakPolarHBondContact OD1-CB 3.15Å; D125-N127 PolarHBondContact OD1-N 2.94Å; D125-N128 PolarHBondContact O-N 3.19Å; D125-N128 VanDerWaalsContact O-N 3.11Å; D125-N128 PolarHBondContact OD1-N 2.82Å; D125-N129 PolarHBondContact N-O 2.93Å; D125-N129 PolarHBondContact OD1-N 2.75Å; D125-N129 PolarHBondContact OD2-ND2 2.88Å; D125-N129 VanDerWaalsContact OD2-ND2 3.11Å; D125-I131 HydrophobicContact CB-CG1 4.27Å
126E95.6Very high95.4Very high183 Ų18375.5 Ų75.586%0.85543%0.427SS*.THydrogen-bonded Turntrans-62.1-17.1176.961.7-161.9-165.600114.6
127N94.8Very high95.4Very high109 Ų10970.4 Ų70.458%0.58341%0.405SS*.THydrogen-bonded Turntrans-100.98.8177.8-62.3-56.3000112.8D125 N129D125-N127 PolarHBondContact O-N 3.37Å; D125-N127 VanDerWaalsContact OD1-C 3.29Å; D125-N127 VanDerWaalsContact OD1-CA 3.29Å; D125-N127 WeakPolarHBondContact OD1-CA 3.27Å; D125-N127 WeakPolarHBondContact OD1-CB 3.15Å; D125-N127 PolarHBondContact OD1-N 2.94Å; N127-N129 VanDerWaalsContact C-N 3.27Å; N127-N129 PolarHBondContact O-N 2.91Å
128N92.3Very high95.5Very high131 Ų13172 Ų7270%0.70141%0.406SS*.SBendtrans65.517.6-173.6-56.1-67000115.2D125D125-N128 PolarHBondContact O-N 3.19Å; D125-N128 VanDerWaalsContact O-N 3.11Å; D125-N128 PolarHBondContact OD1-N 2.82Å
129N94.1Very high95.8Very high85 Ų8573.9 Ų73.946%0.45540%0.398SS..  trans-79.1142.2172.2-55.8-55000110T124 D125 N127 I131T124-N129 CarbonylContact C-O 2.88Å; T124-N129 WeakPolarHBondContact CA-O 3.49Å; T124-N129 WeakPolarHBondContact CB-O 3.36Å; D125-N129 PolarHBondContact N-O 2.93Å; D125-N129 PolarHBondContact OD1-N 2.75Å; D125-N129 PolarHBondContact OD2-ND2 2.88Å; D125-N129 VanDerWaalsContact OD2-ND2 3.11Å; N127-N129 VanDerWaalsContact C-N 3.27Å; N127-N129 PolarHBondContact O-N 2.91Å; N129-I131 PolarHBondContact O-N 3.24Å
130P95.7Very high96.1Very high38 Ų3866.5 Ų66.525%0.24735%0.353CS..BIsolated β-bridgetrans-58.2134.3174.7-26.237.3000112.2F115 P123 F132 G297F115-P130 HydrophobicContact CE1-CB 4.36Å; F115-P130 HydrophobicContact CZ-CB 4.29Å; P123-P130 WeakPolarHBondContact O-CA 3.13Å; P130-F132 HydrophobicContact CB-CD1 4.42Å; P130-F132 HydrophobicContact CB-CE1 3.79Å; P130-F132 HydrophobicContact CB-CZ 4.05Å; P130-F132 PolarHBondContact O-N 3.31Å; P130-G297 WeakPolarHBondContact CG-O 3.28Å
131I97.5Very high96.3Very high54 Ų5463.9 Ų63.928%0.27734%0.335SS..  trans-87.9109.7170.8-52.8175.8000108K116 P123 T124 D125 N129K116-I131 HydrophobicContact CB-CB 4.14Å; K116-I131 HydrophobicContact CB-CG2 3.75Å; K116-I131 HydrophobicContact CD-CB 4.49Å; K116-I131 HydrophobicContact CD-CG2 3.7Å; K116-I131 HydrophobicContact CG-CG2 4.36Å; K116-I131 PolarHBondContact N-O 2.88Å; P123-I131 HydrophobicContact CB-CB 4.34Å; P123-I131 PolarHBondContact O-N 3.15Å; T124-I131 WeakPolarHBondContact O-CD1 3.46Å; D125-I131 HydrophobicContact CB-CG1 4.27Å; N129-I131 PolarHBondContact O-N 3.24Å
132F97.2Very high96.4Very high57 Ų5769 Ų6925%0.2536%0.355CS..BIsolated β-bridgetrans-77.6157.1177-60.5-49.2000112.5V113 F115 P130 D300 H301V113-F132 HydrophobicContact CG1-CD1 4.17Å; V113-F132 HydrophobicContact CG1-CE1 4.2Å; F115-F132 AromaticContact CD1-CD1 3.8Å; F115-F132 HydrophobicContact CD1-CD1 3.8Å; F115-F132 HydrophobicContact CD1-CE1 4.12Å; F115-F132 AromaticContact CE1-CD1 3.83Å; F115-F132 HydrophobicContact CE1-CD1 3.83Å; F115-F132 AromaticContact CE1-CE1 3.66Å; F115-F132 HydrophobicContact CE1-CE1 3.66Å; P130-F132 HydrophobicContact CB-CD1 4.42Å; P130-F132 HydrophobicContact CB-CE1 3.79Å; P130-F132 HydrophobicContact CB-CZ 4.05Å; P130-F132 PolarHBondContact O-N 3.31Å; F132-D300 HydrophobicContact CE2-CB 4.15Å; F132-H301 HydrophobicContact CD1-CB 4.12Å; F132-H301 AromaticContact CD1-CD2 3.68Å; F132-H301 HydrophobicContact CD2-CB 4.33Å; F132-H301 HydrophobicContact CE1-CB 4.13Å; F132-H301 HydrophobicContact CE2-CB 4.33Å; F132-H301 HydrophobicContact CG-CB 4.24Å; F132-H301 AromaticContact CG-CD2 3.66Å; F132-H301 HydrophobicContact CZ-CB 4.25Å
133D95.4Very high96.5Very high54 Ų5464.2 Ų64.229%0.28934%0.336SS..  trans-110167.4158.8-153.8-18.7000108.8S114 V135 H301S114-D133 PolarHBondContact O-N 3.4Å; S114-D133 VanDerWaalsContact OG-C 3.26Å; S114-D133 PolarHBondContact OG-O 2.91Å; D133-V135 HydrophobicContact CB-CG2 4.3Å; D133-H301 PolarHBondContact O-NE2 3.43Å
134T89.7Confident96.6Very high110 Ų11063.4 Ų63.468%0.67533%0.331SS*.  trans-123.858.3176.7-450000110.2P136T134-P136 WeakPolarHBondContact O-CD 3.34Å
135V96.6Very high96.7Very high15 Ų1560.7 Ų60.79%0.09131%0.314CS..  trans-81.1122.9176.4-175.20000108.9H83 S114 D133 L137 E139H83-V135 HydrophobicContact CB-CB 4.26Å; H83-V135 HydrophobicContact CB-CG2 4.37Å; S114-V135 PolarHBondContact OG-N 3.11Å; D133-V135 HydrophobicContact CB-CG2 4.3Å; V135-L137 PolarHBondContact O-N 3.48Å; V135-E139 HydrophobicContact CG1-CB 4.45Å
136P98Very high96.9Very high47 Ų4761.4 Ų61.431%0.30532%0.317SS..  trans-59.6135.3175.4-21.332.5000111.5T134 E138 E139 T140T134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-E138 VanDerWaalsContact CB-CD 3.45Å; P136-E138 HydrophobicContact CB-CG 4.16Å; P136-E138 WeakPolarHBondContact CB-OE1 3.4Å; P136-E138 PolarHBondContact O-N 3.5Å; P136-E139 HydrophobicContact CB-CG 4.19Å; P136-E139 HydrophobicContact CG-CG 4.34Å; P136-E139 WeakPolarHBondContact O-CB 3.42Å; P136-E139 PolarHBondContact O-N 3.37Å; P136-T140 PolarHBondContact O-N 3.37Å
137L98.5Very high97Very high5 Ų552.7 Ų52.73%0.02628%0.277CS..Hα-helixtrans-60-32.8-175.2-71.5175.9000112.7P112 V135 E139 W141 F161 Q165 I169 E303P112-L137 HydrophobicContact CB-CD1 4.1Å; P112-L137 HydrophobicContact CB-CD2 3.99Å; P112-L137 WeakPolarHBondContact O-CD2 3.44Å; V135-L137 PolarHBondContact O-N 3.48Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 2.94Å; L137-W141 VanDerWaalsContact O-CB 3.32Å; L137-W141 WeakPolarHBondContact O-CB 3.25Å; L137-W141 PolarHBondContact O-N 3.45Å; L137-F161 HydrophobicContact CD1-CE1 3.9Å; L137-F161 HydrophobicContact CD1-CZ 4.5Å; L137-F161 HydrophobicContact CD2-CE1 4.15Å; L137-F161 HydrophobicContact CD2-CZ 3.97Å; L137-Q165 HydrophobicContact CD1-CB 4.17Å; L137-Q165 HydrophobicContact CD1-CG 3.99Å; L137-I169 HydrophobicContact CB-CD1 3.98Å; L137-E303 HydrophobicContact CD1-CG 4.08Å; L137-E303 WeakPolarHBondContact CD1-OE2 3.37Å; L137-E303 HydrophobicContact CG-CG 4.21Å
138E98.3Very high97.2Very high70 Ų7049.2 Ų49.233%0.32726%0.259SS..Hα-helixtrans-64.7-31.4175.859.4-87.6-157.500113.2P136 K142 N168 H172P136-E138 VanDerWaalsContact CB-CD 3.45Å; P136-E138 HydrophobicContact CB-CG 4.16Å; P136-E138 WeakPolarHBondContact CB-OE1 3.4Å; P136-E138 PolarHBondContact O-N 3.5Å; E138-K142 WeakPolarHBondContact O-CB 3.24Å; E138-K142 PolarHBondContact O-N 2.86Å; E138-N168 PolarHBondContact OE2-ND2 2.82Å; E138-N168 VanDerWaalsContact OE2-ND2 3.13Å; E138-H172 HydrophobicContact CB-CB 4.09Å
139E98.6Very high97.5Very high100 Ų10047.5 Ų47.547%0.46725%0.25SC..Hα-helixtrans-73.9-46.3177.1-66.7-174.2-170.100110.6P85 V135 P136 L137 W141 K142 A143P85-E139 HydrophobicContact CG-CB 3.96Å; V135-E139 HydrophobicContact CG1-CB 4.45Å; P136-E139 HydrophobicContact CB-CG 4.19Å; P136-E139 HydrophobicContact CG-CG 4.34Å; P136-E139 WeakPolarHBondContact O-CB 3.42Å; P136-E139 PolarHBondContact O-N 3.37Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-E139 PolarHBondContact O-N 2.94Å; E139-W141 VanDerWaalsContact C-N 3.28Å; E139-W141 PolarHBondContact O-N 3.31Å; E139-K142 PolarHBondContact O-N 2.6Å; E139-A143 PolarHBondContact O-N 2.91Å; E139-A143 VanDerWaalsContact O-N 3.13Å
140T98.8Very high97.7Very high0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-57.6-44.3171-52.60000110.5L78 H83 V88 I109 P136 A143 M144L78-T140 HydrophobicContact CD2-CG2 3.67Å; H83-T140 HydrophobicContact CB-CG2 4.39Å; H83-T140 WeakPolarHBondContact O-CB 3.37Å; H83-T140 PolarHBondContact O-OG1 3.1Å; V88-T140 HydrophobicContact CG2-CG2 4.19Å; I109-T140 HydrophobicContact CD1-CG2 3.82Å; I109-T140 HydrophobicContact CG1-CG2 4.32Å; P136-T140 PolarHBondContact O-N 3.37Å; T140-A143 PolarHBondContact O-N 2.93Å; T140-M144 VanDerWaalsContact O-CG 3.32Å; T140-M144 WeakPolarHBondContact O-CG 3.45Å; T140-M144 PolarHBondContact O-N 2.91Å
141W98.9Very high97.9Very high3 Ų348.1 Ų48.11%0.01126%0.256CS..Hα-helixtrans-61.8-47179.3-171.8-98000111.9I109 L137 E139 A143 M144 E145 I156 L158 I169 I175 P177I109-W141 HydrophobicContact CD1-CE3 3.83Å; I109-W141 HydrophobicContact CD1-CZ3 4.41Å; L137-W141 VanDerWaalsContact O-CB 3.32Å; L137-W141 WeakPolarHBondContact O-CB 3.25Å; L137-W141 PolarHBondContact O-N 3.45Å; E139-W141 VanDerWaalsContact C-N 3.28Å; E139-W141 PolarHBondContact O-N 3.31Å; W141-A143 PolarHBondContact O-N 3.39Å; W141-M144 CarbonylContact O-C 3.49Å; W141-M144 WeakPolarHBondContact O-CA 3.28Å; W141-M144 VanDerWaalsContact O-CB 3.25Å; W141-M144 WeakPolarHBondContact O-CB 3.29Å; W141-M144 PolarHBondContact O-N 3Å; W141-E145 PolarHBondContact NE1-OE1 3.22Å; W141-E145 WeakPolarHBondContact O-CG 3.37Å; W141-E145 PolarHBondContact O-N 3.17Å; W141-I156 HydrophobicContact CH2-CB 3.94Å; W141-I156 HydrophobicContact CH2-CD1 3.65Å; W141-I156 HydrophobicContact CH2-CG1 3.6Å; W141-I156 HydrophobicContact CZ2-CB 4.49Å; W141-I156 HydrophobicContact CZ2-CD1 3.36Å; W141-I156 HydrophobicContact CZ2-CG1 3.68Å; W141-I156 HydrophobicContact CZ3-CD1 4.42Å; W141-L158 HydrophobicContact CE3-CD2 3.75Å; W141-L158 HydrophobicContact CH2-CD2 4.32Å; W141-L158 HydrophobicContact CZ3-CD2 3.43Å; W141-L158 VanDerWaalsContact CZ3-CD2 3.43Å; W141-L158 HydrophobicContact CZ3-CG 4.24Å; W141-I169 HydrophobicContact CB-CD1 3.75Å; W141-I169 HydrophobicContact CD2-CD1 4.44Å; W141-I169 HydrophobicContact CD2-CG2 3.54Å; W141-I169 HydrophobicContact CE3-CG2 4.01Å; W141-I169 HydrophobicContact CG-CD1 4.07Å; W141-I169 HydrophobicContact CG-CG2 3.8Å; W141-I169 HydrophobicContact CZ2-CG2 4.24Å; W141-I175 VanDerWaalsContact CZ2-O 3.28Å; W141-I175 WeakPolarHBondContact CZ2-O 3.47Å; W141-I175 PolarHBondContact NE1-O 3.45Å; W141-P177 HydrophobicContact CH2-CB 3.42Å; W141-P177 VanDerWaalsContact CH2-CB 3.42Å; W141-P177 HydrophobicContact CH2-CG 4.18Å; W141-P177 HydrophobicContact CZ2-CB 3.81Å; W141-P177 VanDerWaalsContact CZ2-CD 3.45Å; W141-P177 HydrophobicContact CZ2-CG 4.15Å; W141-P177 VanDerWaalsContact CZ2-N 3.35Å; W141-P177 HydrophobicContact CZ3-CB 4.18Å
142K98.8Very high97.9Very high138 Ų13846.9 Ų46.960%0.625%0.25SC*.Hα-helixtrans-55.8-39.1176-175.3178.1178.4-176.90112.2E138 E139 E145 N146E138-K142 WeakPolarHBondContact O-CB 3.24Å; E138-K142 PolarHBondContact O-N 2.86Å; E139-K142 PolarHBondContact O-N 2.6Å; K142-E145 WeakPolarHBondContact O-CB 3.46Å; K142-E145 PolarHBondContact O-N 3Å; K142-N146 PolarHBondContact O-N 2.79Å
143A98.9Very high98Very high9 Ų944.2 Ų44.27%0.07424%0.238CC..Hα-helixtrans-67.9-35.9174.100000112.7P85 V88 E139 T140 W141 E145 N146 L147P85-A143 HydrophobicContact CB-CB 3.99Å; V88-A143 HydrophobicContact CB-CB 3.82Å; V88-A143 HydrophobicContact CG1-CB 4.02Å; V88-A143 HydrophobicContact CG2-CB 3.72Å; E139-A143 PolarHBondContact O-N 2.91Å; E139-A143 VanDerWaalsContact O-N 3.13Å; T140-A143 PolarHBondContact O-N 2.93Å; W141-A143 PolarHBondContact O-N 3.39Å; A143-E145 VanDerWaalsContact C-N 3.31Å; A143-E145 PolarHBondContact O-N 3.48Å; A143-N146 PolarHBondContact O-N 2.8Å; A143-L147 PolarHBondContact O-N 3.45Å
144M98.9Very high98.2Very high0 Ų045.5 Ų45.50%024%0.241CC..Hα-helixtrans-62.4-37.3171.5-64.3-75.9-69.500112.1L78 V88 Y107 I109 T140 W141 N146 L147 I156L78-M144 HydrophobicContact CB-SD 4.33Å; L78-M144 HydrophobicContact CD2-SD 3.94Å; V88-M144 HydrophobicContact CG1-CG 4.27Å; V88-M144 HydrophobicContact CG1-SD 3.82Å; Y107-M144 HydrophobicContact CD1-CE 3.34Å; Y107-M144 HydrophobicContact CD1-SD 3.65Å; Y107-M144 HydrophobicContact CE1-CE 3.97Å; Y107-M144 HydrophobicContact CE1-SD 3.73Å; Y107-M144 HydrophobicContact CG-CE 4.08Å; Y107-M144 WeakPolarHBondContact O-CE 3.41Å; I109-M144 HydrophobicContact CD1-CG 4.2Å; I109-M144 HydrophobicContact CG1-CE 4.09Å; I109-M144 HydrophobicContact CG1-CG 3.99Å; I109-M144 HydrophobicContact CG1-SD 4.24Å; T140-M144 VanDerWaalsContact O-CG 3.32Å; T140-M144 WeakPolarHBondContact O-CG 3.45Å; T140-M144 PolarHBondContact O-N 2.91Å; W141-M144 CarbonylContact O-C 3.49Å; W141-M144 WeakPolarHBondContact O-CA 3.28Å; W141-M144 VanDerWaalsContact O-CB 3.25Å; W141-M144 WeakPolarHBondContact O-CB 3.29Å; W141-M144 PolarHBondContact O-N 3Å; M144-N146 VanDerWaalsContact C-N 3.34Å; M144-N146 PolarHBondContact O-N 2.88Å; M144-L147 WeakPolarHBondContact O-CB 3.38Å; M144-L147 PolarHBondContact O-N 3.16Å; M144-L147 HydrophobicContact SD-CD1 4.1Å; M144-I156 HydrophobicContact CB-CD1 4.18Å; M144-I156 HydrophobicContact CB-CG2 4.35Å; M144-I156 HydrophobicContact CE-CB 4.43Å; M144-I156 HydrophobicContact CE-CG2 4.12Å
145E98.9Very high98.6Very high10 Ų1040.4 Ų40.45%0.04721%0.21CC..Hα-helixtrans-63.4-38.8176-58.3-179.814600112.1W141 K142 A143 L147 V148 D149 I156 C173 R174 I175W141-E145 PolarHBondContact NE1-OE1 3.22Å; W141-E145 WeakPolarHBondContact O-CG 3.37Å; W141-E145 PolarHBondContact O-N 3.17Å; K142-E145 WeakPolarHBondContact O-CB 3.46Å; K142-E145 PolarHBondContact O-N 3Å; A143-E145 VanDerWaalsContact C-N 3.31Å; A143-E145 PolarHBondContact O-N 3.48Å; E145-L147 PolarHBondContact O-N 2.75Å; E145-V148 WeakPolarHBondContact O-CB 3.41Å; E145-V148 PolarHBondContact O-N 3.5Å; E145-D149 PolarHBondContact O-N 3.34Å; E145-I156 HydrophobicContact CG-CD1 4.01Å; E145-C173 WeakPolarHBondContact OE1-CA 3.27Å; E145-R174 WeakPolarHBondContact OE1-CA 3.39Å; E145-R174 PolarHBondContact OE1-N 2.83Å; E145-R174 IonicContact OE2-NE 2.75Å; E145-I175 HydrophobicContact CB-CB 4.49Å; E145-I175 HydrophobicContact CB-CD1 4.15Å; E145-I175 HydrophobicContact CB-CG1 4.45Å; E145-I175 HydrophobicContact CG-CB 4.05Å; E145-I175 HydrophobicContact CG-CG1 4.46Å; E145-I175 PolarHBondContact OE1-N 2.71Å
146N98.9Very high98.7Very high71 Ų7139.7 Ų39.738%0.3821%0.206SC..Hα-helixtrans-61.6-32.7176.4-65.8-22.8000112K142 A143 M144 V148 D149 E150K142-N146 PolarHBondContact O-N 2.79Å; A143-N146 PolarHBondContact O-N 2.8Å; M144-N146 VanDerWaalsContact C-N 3.34Å; M144-N146 PolarHBondContact O-N 2.88Å; N146-V148 PolarHBondContact O-N 2.96Å; N146-D149 PolarHBondContact O-N 2.69Å; N146-E150 WeakPolarHBondContact O-CB 3.22Å; N146-E150 WeakPolarHBondContact O-CG 3.33Å; N146-E150 PolarHBondContact O-N 3.31Å
147L98.9Very high98.8Very high1 Ų137.5 Ų37.51%0.00519%0.191CC..Hα-helixtrans-61.4-31.9174.6-54-179.7000112.4V88 K89 C92 Y107 A143 M144 E145 G151 L152 V153V88-L147 HydrophobicContact CG1-CD1 3.79Å; V88-L147 HydrophobicContact CG1-CD2 4.4Å; V88-L147 HydrophobicContact CG1-CG 4.19Å; K89-L147 HydrophobicContact CB-CD2 3.94Å; K89-L147 HydrophobicContact CG-CD2 4.19Å; C92-L147 HydrophobicContact CB-CD1 3.84Å; C92-L147 HydrophobicContact CB-CD2 4.23Å; Y107-L147 HydrophobicContact CD1-CD1 3.62Å; Y107-L147 HydrophobicContact CE1-CD1 3.77Å; A143-L147 PolarHBondContact O-N 3.45Å; M144-L147 WeakPolarHBondContact O-CB 3.38Å; M144-L147 PolarHBondContact O-N 3.16Å; M144-L147 HydrophobicContact SD-CD1 4.1Å; E145-L147 PolarHBondContact O-N 2.75Å; L147-G151 PolarHBondContact O-N 3.07Å; L147-L152 HydrophobicContact CB-CB 4.48Å; L147-L152 HydrophobicContact CD2-CD1 4.05Å; L147-L152 PolarHBondContact O-N 3.45Å; L147-V153 HydrophobicContact CB-CG1 4.22Å; L147-V153 HydrophobicContact CB-CG2 3.73Å; L147-V153 HydrophobicContact CD1-CG1 4.44Å; L147-V153 PolarHBondContact O-N 3.42Å
148V98.9Very high98.8Very high35 Ų3537.2 Ų37.221%0.21219%0.19CC..Hα-helixtrans-71.3-47.1175.4-177.20000109.9E145 N146 E150 G151 V153 I156 I175E145-V148 WeakPolarHBondContact O-CB 3.41Å; E145-V148 PolarHBondContact O-N 3.5Å; N146-V148 PolarHBondContact O-N 2.96Å; V148-E150 PolarHBondContact O-N 3.1Å; V148-G151 PolarHBondContact O-N 3.27Å; V148-V153 HydrophobicContact CB-CG2 4.44Å; V148-V153 HydrophobicContact CG2-CG2 3.67Å; V148-I156 HydrophobicContact CG2-CD1 4.13Å; V148-I156 HydrophobicContact CG2-CG1 4.14Å; V148-I156 HydrophobicContact CG2-CG2 3.78Å; V148-I175 HydrophobicContact CB-CD1 3.83Å; V148-I175 HydrophobicContact CG1-CD1 3.95Å; V148-I175 HydrophobicContact CG2-CD1 4.23Å
149D98.8Very high98.8Very high95 Ų9534 Ų3451%0.50818%0.175SC..Hα-helixtrans-60.8-35.8179.1-62.2-31.5000111.7E145 N146 G151 R174E145-D149 PolarHBondContact O-N 3.34Å; N146-D149 PolarHBondContact O-N 2.69Å; D149-G151 VanDerWaalsContact C-N 3.27Å; D149-G151 PolarHBondContact O-N 3.12Å; D149-R174 IonicContact OD1-CZ 3.68Å; D149-R174 IonicContact OD1-NH1 4Å; D149-R174 PolarHBondContact OD1-NH1 3.41Å; D149-R174 IonicContact OD1-NH2 3.07Å; D149-R174 PolarHBondContact OD1-NH2 3.13Å; D149-R174 IonicContact OD2-CZ 3.39Å; D149-R174 IonicContact OD2-NH1 3.79Å; D149-R174 PolarHBondContact OD2-NH1 3.14Å; D149-R174 IonicContact OD2-NH2 2.8Å; D149-R174 PolarHBondContact OD2-NH2 2.93Å
150E98.7Very high98.8Very high103 Ų10329.5 Ų29.548%0.48115%0.154SC..THydrogen-bonded Turntrans-79-6.1175.8-67.5-173.1-115.900113.8K89 N146 V148 L152K89-E150 WeakPolarHBondContact CE-OE2 3.31Å; K89-E150 IonicContact NZ-OE1 3.89Å; K89-E150 IonicContact NZ-OE2 2.71Å; K89-E150 PolarHBondContact NZ-OE2 3.22Å; N146-E150 WeakPolarHBondContact O-CB 3.22Å; N146-E150 WeakPolarHBondContact O-CG 3.33Å; N146-E150 PolarHBondContact O-N 3.31Å; V148-E150 PolarHBondContact O-N 3.1Å; E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 HydrophobicContact CB-CG 4.26Å; E150-L152 PolarHBondContact O-N 3.38Å
151G98.6Very high98.8Very high34 Ų3429.5 Ų29.535%0.35115%0.154SC..THydrogen-bonded Turntrans75.19.1178.100000115.3L147 V148 D149 V153L147-G151 PolarHBondContact O-N 3.07Å; V148-G151 PolarHBondContact O-N 3.27Å; D149-G151 VanDerWaalsContact C-N 3.27Å; D149-G151 PolarHBondContact O-N 3.12Å; G151-V153 VanDerWaalsContact C-N 3.28Å
152L98.9Very high98.8Very high28 Ų2829.5 Ų29.515%0.14715%0.154CC..SBendtrans-70-27.3176.5-63.3-180000111.9K89 E93 L96 Y103 L104 L147 E150K89-L152 HydrophobicContact CG-CD1 4.13Å; E93-L152 HydrophobicContact CG-CD1 4.29Å; L96-L152 HydrophobicContact CD1-CB 4.12Å; L96-L152 HydrophobicContact CD1-CD2 3.92Å; Y103-L152 CarbonylContact C-O 3.49Å; Y103-L152 WeakPolarHBondContact CA-O 3.48Å; L104-L152 PolarHBondContact N-O 3.03Å; L147-L152 HydrophobicContact CB-CB 4.48Å; L147-L152 HydrophobicContact CD2-CD1 4.05Å; L147-L152 PolarHBondContact O-N 3.45Å; E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 HydrophobicContact CB-CG 4.26Å; E150-L152 PolarHBondContact O-N 3.38Å
153V98.9Very high98.8Very high1 Ų127.3 Ų27.31%0.00614%0.142CC..BIsolated β-bridgetrans-137143.5177.4-50.10000110.2L104 Y107 L147 V148 G151 I156L104-V153 HydrophobicContact CB-CG1 4.23Å; L104-V153 CarbonylContact O-C 3.46Å; L104-V153 VanDerWaalsContact O-CA 3.32Å; L104-V153 WeakPolarHBondContact O-CA 3.25Å; Y107-V153 HydrophobicContact CD1-CG1 4.37Å; Y107-V153 HydrophobicContact CG-CG1 4.15Å; L147-V153 HydrophobicContact CB-CG1 4.22Å; L147-V153 HydrophobicContact CB-CG2 3.73Å; L147-V153 HydrophobicContact CD1-CG1 4.44Å; L147-V153 PolarHBondContact O-N 3.42Å; V148-V153 HydrophobicContact CB-CG2 4.44Å; V148-V153 HydrophobicContact CG2-CG2 3.67Å; G151-V153 VanDerWaalsContact C-N 3.28Å; V153-I156 HydrophobicContact CG2-CG2 3.6Å
154K98.8Very high98.8Very high81 Ų8132 Ų3235%0.35216%0.158SC..SBendtrans-85.2-34.3176.6-58.8-58.3-177.9-171.30112.6Y103 L104Y103-K154 HydrophobicContact CD2-CD 4.27Å; Y103-K154 HydrophobicContact CD2-CG 3.71Å; Y103-K154 HydrophobicContact CE2-CG 3.98Å; L104-K154 PolarHBondContact O-N 2.91Å
155S98.9Very high98.8Very high2 Ų232 Ų321%0.01416%0.158CC..  trans-140.5151.8-179.1-44.10000110.4M6 N8 D105 L106 Y107M6-S155 WeakPolarHBondContact CE-OG 3.49Å; N8-S155 WeakPolarHBondContact ND2-CB 3.19Å; N8-S155 PolarHBondContact ND2-OG 2.93Å; D105-S155 WeakPolarHBondContact O-CB 3.3Å; D105-S155 PolarHBondContact O-N 3.15Å; D105-S155 PolarHBondContact O-OG 3.07Å; D105-S155 VanDerWaalsContact O-OG 3.1Å; L106-S155 CarbonylContact C-O 3.54Å; L106-S155 WeakPolarHBondContact CA-O 3.45Å; Y107-S155 PolarHBondContact N-O 2.82Å
156I98.9Very high98.7Very high1 Ų131.6 Ų31.61%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-125.5152.4174.753.4175.5000110.7Y107 W141 M144 E145 V148 V153 I175 V178Y107-I156 VanDerWaalsContact O-CA 3.28Å; Y107-I156 WeakPolarHBondContact O-CA 3.45Å; W141-I156 HydrophobicContact CH2-CB 3.94Å; W141-I156 HydrophobicContact CH2-CD1 3.65Å; W141-I156 HydrophobicContact CH2-CG1 3.6Å; W141-I156 HydrophobicContact CZ2-CB 4.49Å; W141-I156 HydrophobicContact CZ2-CD1 3.36Å; W141-I156 HydrophobicContact CZ2-CG1 3.68Å; W141-I156 HydrophobicContact CZ3-CD1 4.42Å; M144-I156 HydrophobicContact CB-CD1 4.18Å; M144-I156 HydrophobicContact CB-CG2 4.35Å; M144-I156 HydrophobicContact CE-CB 4.43Å; M144-I156 HydrophobicContact CE-CG2 4.12Å; E145-I156 HydrophobicContact CG-CD1 4.01Å; V148-I156 HydrophobicContact CG2-CD1 4.13Å; V148-I156 HydrophobicContact CG2-CG1 4.14Å; V148-I156 HydrophobicContact CG2-CG2 3.78Å; V153-I156 HydrophobicContact CG2-CG2 3.6Å; I156-I175 HydrophobicContact CD1-CB 4.38Å; I156-I175 HydrophobicContact CD1-CG2 4.11Å; I156-I175 HydrophobicContact CG1-CG2 4.24Å; I156-V178 PolarHBondContact O-N 3.28Å
157G98.9Very high98.7Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-159.1-170.8-178.100000113.4Y107 L108 I109 N179Y107-G157 PolarHBondContact O-N 3.11Å; L108-G157 WeakPolarHBondContact CA-O 3.44Å; L108-G157 VanDerWaalsContact CD2-C 3.42Å; L108-G157 VanDerWaalsContact CD2-CA 3.49Å; I109-G157 PolarHBondContact N-O 2.96Å; G157-N179 WeakPolarHBondContact CA-O 3.45Å
158L98.9Very high98.7Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-121.6148.5-171.3-55.7176000109.9I109 W141 F161 I166 I169 P177 N179 L180 Q181I109-L158 HydrophobicContact CD1-CD2 4.46Å; W141-L158 HydrophobicContact CE3-CD2 3.75Å; W141-L158 HydrophobicContact CH2-CD2 4.32Å; W141-L158 HydrophobicContact CZ3-CD2 3.43Å; W141-L158 VanDerWaalsContact CZ3-CD2 3.43Å; W141-L158 HydrophobicContact CZ3-CG 4.24Å; L158-F161 HydrophobicContact CB-CB 4.22Å; L158-F161 HydrophobicContact CB-CD1 4.39Å; L158-F161 HydrophobicContact CB-CD2 3.82Å; L158-F161 HydrophobicContact CB-CE2 4.31Å; L158-F161 HydrophobicContact CB-CG 3.89Å; L158-F161 HydrophobicContact CD1-CB 4.32Å; L158-F161 HydrophobicContact CD1-CD1 3.89Å; L158-F161 HydrophobicContact CD1-CE1 4.46Å; L158-F161 HydrophobicContact CD1-CG 4.1Å; L158-F161 HydrophobicContact CD2-CD1 3.94Å; L158-F161 HydrophobicContact CD2-CD2 4.26Å; L158-F161 HydrophobicContact CD2-CE1 3.72Å; L158-F161 HydrophobicContact CD2-CE2 4.05Å; L158-F161 HydrophobicContact CD2-CG 4.24Å; L158-F161 HydrophobicContact CD2-CZ 3.79Å; L158-F161 HydrophobicContact CG-CD1 4.29Å; L158-F161 HydrophobicContact CG-CD2 4.49Å; L158-F161 HydrophobicContact CG-CG 4.3Å; L158-I166 HydrophobicContact CD1-CG1 3.94Å; L158-I169 HydrophobicContact CD1-CG1 4.5Å; L158-I169 HydrophobicContact CD2-CG1 4.3Å; L158-P177 HydrophobicContact CD1-CB 4.05Å; L158-P177 HydrophobicContact CD1-CG 4.02Å; L158-P177 HydrophobicContact CG-CB 3.86Å; L158-P177 HydrophobicContact CG-CG 4.36Å; L158-N179 PolarHBondContact N-O 3.11Å; L158-L180 HydrophobicContact CB-CD1 3.93Å; L158-L180 CarbonylContact O-C 3.53Å; L158-L180 VanDerWaalsContact O-CA 3.32Å; L158-L180 WeakPolarHBondContact O-CA 3.16Å; L158-Q181 PolarHBondContact O-N 2.96Å
159S98.9Very high98.7Very high1 Ų132.5 Ų32.51%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-134.9133.8169-173.30000111.1I109 H110 F111 F161 Q181I109-S159 WeakPolarHBondContact O-CB 3.29Å; I109-S159 PolarHBondContact O-N 3.44Å; H110-S159 CarbonylContact C-O 3.52Å; H110-S159 CarbonylContact O-C 3.51Å; H110-S159 VanDerWaalsContact O-CB 3.28Å; H110-S159 WeakPolarHBondContact O-CB 3.46Å; H110-S159 VanDerWaalsContact O-O 3.09Å; H110-S159 PolarHBondContact O-OG 2.9Å; F111-S159 WeakPolarHBondContact CA-O 3.26Å; S159-F161 VanDerWaalsContact O-CD2 3.29Å; S159-F161 WeakPolarHBondContact O-CD2 3.4Å; S159-F161 PolarHBondContact O-N 3.37Å; S159-Q181 CarbonylContact C-O 3.52Å; S159-Q181 WeakPolarHBondContact CA-O 3.38Å; S159-Q181 WeakPolarHBondContact CB-O 3.34Å; S159-Q181 PolarHBondContact OG-O 3.15Å
160N98.6Very high98.7Very high6 Ų630.1 Ų30.13%0.03214%0.144CC..SBendtrans63.320.1-176.9-55.3-71.5000115.7H110 F111 Q181 Y207 P305 F306H110-N160 PolarHBondContact O-ND2 3.2Å; F111-N160 HydrophobicContact CD2-CB 3.38Å; F111-N160 WeakPolarHBondContact CD2-ND2 3.49Å; F111-N160 HydrophobicContact CE2-CB 3.39Å; F111-N160 HydrophobicContact CG-CB 4.06Å; F111-N160 HydrophobicContact CZ-CB 4.11Å; N160-Q181 PolarHBondContact N-O 3.03Å; N160-Q181 VanDerWaalsContact N-O 3.09Å; N160-Y207 VanDerWaalsContact OD1-CE1 3.27Å; N160-Y207 WeakPolarHBondContact OD1-CE1 3.27Å; N160-Y207 PolarHBondContact OD1-OH 3.06Å; N160-P305 WeakPolarHBondContact O-CB 3.3Å; N160-P305 WeakPolarHBondContact O-CG 3.46Å; N160-F306 HydrophobicContact CB-CE1 4.46Å; N160-F306 HydrophobicContact CB-CZ 4.03Å
161F98.7Very high98.7Very high1 Ų133.1 Ų33.10%0.00416%0.156CC..  trans-79.1143173.8-78.7-127.1000110.4I109 P112 L137 L158 S159 Q165 I166 I169 L180I109-F161 HydrophobicContact CB-CE2 3.98Å; I109-F161 HydrophobicContact CB-CZ 4.12Å; I109-F161 HydrophobicContact CD1-CZ 4.19Å; I109-F161 HydrophobicContact CG2-CE2 3.79Å; I109-F161 HydrophobicContact CG2-CZ 3.89Å; P112-F161 HydrophobicContact CB-CD1 4.32Å; P112-F161 HydrophobicContact CB-CD2 3.97Å; P112-F161 HydrophobicContact CB-CE1 4.06Å; P112-F161 HydrophobicContact CB-CE2 3.7Å; P112-F161 HydrophobicContact CB-CG 4.25Å; P112-F161 HydrophobicContact CB-CZ 3.73Å; P112-F161 HydrophobicContact CG-CD2 4.11Å; P112-F161 HydrophobicContact CG-CE2 4.25Å; P112-F161 HydrophobicContact CG-CG 4.46Å; L137-F161 HydrophobicContact CD1-CE1 3.9Å; L137-F161 HydrophobicContact CD1-CZ 4.5Å; L137-F161 HydrophobicContact CD2-CE1 4.15Å; L137-F161 HydrophobicContact CD2-CZ 3.97Å; L158-F161 HydrophobicContact CB-CB 4.22Å; L158-F161 HydrophobicContact CB-CD1 4.39Å; L158-F161 HydrophobicContact CB-CD2 3.82Å; L158-F161 HydrophobicContact CB-CE2 4.31Å; L158-F161 HydrophobicContact CB-CG 3.89Å; L158-F161 HydrophobicContact CD1-CB 4.32Å; L158-F161 HydrophobicContact CD1-CD1 3.89Å; L158-F161 HydrophobicContact CD1-CE1 4.46Å; L158-F161 HydrophobicContact CD1-CG 4.1Å; L158-F161 HydrophobicContact CD2-CD1 3.94Å; L158-F161 HydrophobicContact CD2-CD2 4.26Å; L158-F161 HydrophobicContact CD2-CE1 3.72Å; L158-F161 HydrophobicContact CD2-CE2 4.05Å; L158-F161 HydrophobicContact CD2-CG 4.24Å; L158-F161 HydrophobicContact CD2-CZ 3.79Å; L158-F161 HydrophobicContact CG-CD1 4.29Å; L158-F161 HydrophobicContact CG-CD2 4.49Å; L158-F161 HydrophobicContact CG-CG 4.3Å; S159-F161 VanDerWaalsContact O-CD2 3.29Å; S159-F161 WeakPolarHBondContact O-CD2 3.4Å; S159-F161 PolarHBondContact O-N 3.37Å; F161-Q165 HydrophobicContact CB-CB 4.24Å; F161-Q165 HydrophobicContact CD1-CB 3.57Å; F161-Q165 HydrophobicContact CE1-CB 4.31Å; F161-Q165 HydrophobicContact CG-CB 4.24Å; F161-I166 HydrophobicContact CB-CG1 3.91Å; F161-I169 HydrophobicContact CD1-CG1 4.46Å; F161-I169 HydrophobicContact CE1-CG1 4.04Å; F161-L180 HydrophobicContact CB-CD1 4.16Å
162N98.5Very high98.7Very high3 Ų336 Ų362%0.01616%0.16CC..  trans-89.5175.9169.776.516.1000111.5R164 Q165 I166 P305 E308 Y310N162-R164 PolarHBondContact O-N 3.02Å; N162-R164 WeakPolarHBondContact OD1-CB 3.35Å; N162-R164 PolarHBondContact OD1-N 3.09Å; N162-R164 VanDerWaalsContact OD1-N 3.14Å; N162-Q165 PolarHBondContact O-N 2.92Å; N162-Q165 VanDerWaalsContact OD1-CG 3.25Å; N162-Q165 WeakPolarHBondContact OD1-CG 3.5Å; N162-Q165 PolarHBondContact OD1-N 3.25Å; N162-Q165 PolarHBondContact OD1-OE1 3.19Å; N162-I166 WeakPolarHBondContact O-CD1 3.42Å; N162-I166 VanDerWaalsContact O-CG1 3.25Å; N162-I166 WeakPolarHBondContact O-CG1 2.98Å; N162-I166 PolarHBondContact O-N 3.17Å; N162-P305 HydrophobicContact CB-CB 4.19Å; N162-P305 PolarHBondContact ND2-O 3.13Å; N162-E308 VanDerWaalsContact ND2-CD 3.3Å; N162-E308 PolarHBondContact ND2-OE1 3.1Å; N162-Y310 WeakPolarHBondContact CA-OXT 3.34Å; N162-Y310 VanDerWaalsContact CB-OXT 3.22Å; N162-Y310 WeakPolarHBondContact CB-OXT 3.47Å
163R98.5Very high98.7Very high92 Ų9236.1 Ų36.135%0.34716%0.163SC..Hα-helixtrans-56.2-50.2-179.2176174.4176.1177.33.8112.7Q165 I166 E167 Y196 Y310R163-Q165 VanDerWaalsContact C-N 3.25Å; R163-Q165 PolarHBondContact O-N 2.85Å; R163-I166 PolarHBondContact O-N 2.91Å; R163-E167 HydrophobicContact CG-CG 4.34Å; R163-E167 IonicContact CZ-OE1 3.38Å; R163-E167 IonicContact NE-OE1 2.8Å; R163-E167 PolarHBondContact NE-OE1 2.69Å; R163-E167 IonicContact NH2-OE1 3.04Å; R163-E167 PolarHBondContact NH2-OE1 3.11Å; R163-E167 WeakPolarHBondContact O-CG 3.47Å; R163-E167 PolarHBondContact O-N 3.13Å; R163-Y196 HydrophobicContact CB-CD1 4.24Å; R163-Y196 HydrophobicContact CB-CE1 4.32Å; R163-Y196 HydrophobicContact CG-CD1 3.95Å; R163-Y196 HydrophobicContact CG-CD2 4.33Å; R163-Y196 HydrophobicContact CG-CE1 3.76Å; R163-Y196 HydrophobicContact CG-CE2 4.13Å; R163-Y196 HydrophobicContact CG-CG 4.25Å; R163-Y310 HydrophobicContact CB-CD2 4.03Å; R163-Y310 HydrophobicContact CB-CE2 4.27Å; R163-Y310 VanDerWaalsContact CB-O 3.24Å; R163-Y310 WeakPolarHBondContact CB-O 3.47Å; R163-Y310 HydrophobicContact CG-CE2 4.49Å; R163-Y310 VanDerWaalsContact N-C 3.32Å; R163-Y310 PolarHBondContact N-O 3.38Å; R163-Y310 VanDerWaalsContact N-O 3.12Å; R163-Y310 PolarHBondContact N-OXT 3.41Å; R163-Y310 PolarHBondContact NH1-OH 3Å; R163-Y310 VanDerWaalsContact NH1-OH 3.14Å
164R98.2Very high98.7Very high106 Ų10642.9 Ų42.940%0.419%0.188SC..Hα-helixtrans-55.4-43.6-179.1178.8-171.866.5122.817.7111.2N162 E167 N168 E303 E308N162-R164 PolarHBondContact O-N 3.02Å; N162-R164 WeakPolarHBondContact OD1-CB 3.35Å; N162-R164 PolarHBondContact OD1-N 3.09Å; N162-R164 VanDerWaalsContact OD1-N 3.14Å; R164-E167 PolarHBondContact O-N 3.04Å; R164-N168 PolarHBondContact O-N 2.62Å; R164-E303 IonicContact NH2-OE1 3.19Å; R164-E303 PolarHBondContact NH2-OE1 2.87Å; R164-E303 IonicContact NH2-OE2 2.65Å; R164-E303 PolarHBondContact NH2-OE2 3.39Å; R164-E303 VanDerWaalsContact NH2-OE2 3.08Å; R164-E308 WeakPolarHBondContact CB-OE2 3.43Å; R164-E308 IonicContact CZ-OE1 3.08Å; R164-E308 IonicContact NE-OE1 3.76Å; R164-E308 PolarHBondContact NE-OE1 2.81Å; R164-E308 IonicContact NE-OE2 2.88Å; R164-E308 IonicContact NH2-OE1 3.49Å
165Q98.6Very high98.7Very high2 Ų241 Ų411%0.00918%0.182CC..Hα-helixtrans-70.5-39.8180-66.4166.8-32.900112.1L137 F161 N162 R163 N168 I169 E303L137-Q165 HydrophobicContact CD1-CB 4.17Å; L137-Q165 HydrophobicContact CD1-CG 3.99Å; F161-Q165 HydrophobicContact CB-CB 4.24Å; F161-Q165 HydrophobicContact CD1-CB 3.57Å; F161-Q165 HydrophobicContact CE1-CB 4.31Å; F161-Q165 HydrophobicContact CG-CB 4.24Å; N162-Q165 PolarHBondContact O-N 2.92Å; N162-Q165 VanDerWaalsContact OD1-CG 3.25Å; N162-Q165 WeakPolarHBondContact OD1-CG 3.5Å; N162-Q165 PolarHBondContact OD1-N 3.25Å; N162-Q165 PolarHBondContact OD1-OE1 3.19Å; R163-Q165 VanDerWaalsContact C-N 3.25Å; R163-Q165 PolarHBondContact O-N 2.85Å; Q165-N168 WeakPolarHBondContact O-CB 3.46Å; Q165-N168 PolarHBondContact O-N 3.01Å; Q165-I169 WeakPolarHBondContact O-CG1 3.46Å; Q165-I169 PolarHBondContact O-N 3.48Å; Q165-E303 VanDerWaalsContact CG-OE2 3.32Å; Q165-E303 WeakPolarHBondContact CG-OE2 3.23Å; Q165-E303 PolarHBondContact NE2-O 2.98Å; Q165-E303 PolarHBondContact NE2-OE2 2.65Å
166I98.8Very high98.6Very high0 Ų045 Ų450%020%0.199CC..Hα-helixtrans-60.7-47.1172.8-65.6160.8000109.9L158 F161 N162 R163 N168 I169 L170 L180 L193 Y196L158-I166 HydrophobicContact CD1-CG1 3.94Å; F161-I166 HydrophobicContact CB-CG1 3.91Å; N162-I166 WeakPolarHBondContact O-CD1 3.42Å; N162-I166 VanDerWaalsContact O-CG1 3.25Å; N162-I166 WeakPolarHBondContact O-CG1 2.98Å; N162-I166 PolarHBondContact O-N 3.17Å; R163-I166 PolarHBondContact O-N 2.91Å; I166-N168 VanDerWaalsContact C-N 3.29Å; I166-N168 PolarHBondContact O-N 3.25Å; I166-I169 PolarHBondContact O-N 3.03Å; I166-L170 HydrophobicContact CG2-CD1 3.85Å; I166-L170 HydrophobicContact CG2-CG 4.16Å; I166-L170 WeakPolarHBondContact O-CB 3.43Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.36Å; I166-L170 PolarHBondContact O-N 3.08Å; I166-L180 HydrophobicContact CD1-CD1 4.26Å; I166-L180 HydrophobicContact CD1-CD2 3.68Å; I166-L193 HydrophobicContact CD1-CD1 3.83Å; I166-Y196 HydrophobicContact CB-CE1 4.13Å; I166-Y196 HydrophobicContact CD1-CD1 4.44Å; I166-Y196 HydrophobicContact CD1-CE1 4.31Å; I166-Y196 HydrophobicContact CG2-CE1 3.86Å
167E98.5Very high98.6Very high77 Ų7744.9 Ų44.936%0.3620%0.198SC..Hα-helixtrans-59.2-39.7176.5-72.4179.917300111.7R163 R164 L170 K171 Y196R163-E167 HydrophobicContact CG-CG 4.34Å; R163-E167 IonicContact CZ-OE1 3.38Å; R163-E167 IonicContact NE-OE1 2.8Å; R163-E167 PolarHBondContact NE-OE1 2.69Å; R163-E167 IonicContact NH2-OE1 3.04Å; R163-E167 PolarHBondContact NH2-OE1 3.11Å; R163-E167 WeakPolarHBondContact O-CG 3.47Å; R163-E167 PolarHBondContact O-N 3.13Å; R164-E167 PolarHBondContact O-N 3.04Å; E167-L170 PolarHBondContact O-N 3.39Å; E167-K171 WeakPolarHBondContact O-CB 3.35Å; E167-K171 PolarHBondContact O-N 3.37Å; E167-Y196 WeakPolarHBondContact CG-OH 3.11Å; E167-Y196 PolarHBondContact OE1-OH 3.39Å
168N98.5Very high98.6Very high48 Ų4845.1 Ų45.126%0.25720%0.199SC..Hα-helixtrans-61.1-47.1175.2-171.449.8000112E138 R164 Q165 I166 K171 H172E138-N168 PolarHBondContact OE2-ND2 2.82Å; E138-N168 VanDerWaalsContact OE2-ND2 3.13Å; R164-N168 PolarHBondContact O-N 2.62Å; Q165-N168 WeakPolarHBondContact O-CB 3.46Å; Q165-N168 PolarHBondContact O-N 3.01Å; I166-N168 VanDerWaalsContact C-N 3.29Å; I166-N168 PolarHBondContact O-N 3.25Å; N168-K171 PolarHBondContact O-N 2.78Å; N168-H172 PolarHBondContact O-N 2.88Å; N168-H172 PolarHBondContact O-ND1 2.74Å; N168-H172 PolarHBondContact OD1-CE1 2.78Å; N168-H172 PolarHBondContact OD1-ND1 3.41Å
169I98.8Very high98.6Very high1 Ų145.1 Ų45.11%0.00520%0.199CC..Hα-helixtrans-62.9-47.6176.6-64.6-51.8000110.8L137 W141 L158 F161 Q165 I166 K171 H172 C173 P177L137-I169 HydrophobicContact CB-CD1 3.98Å; W141-I169 HydrophobicContact CB-CD1 3.75Å; W141-I169 HydrophobicContact CD2-CD1 4.44Å; W141-I169 HydrophobicContact CD2-CG2 3.54Å; W141-I169 HydrophobicContact CE3-CG2 4.01Å; W141-I169 HydrophobicContact CG-CD1 4.07Å; W141-I169 HydrophobicContact CG-CG2 3.8Å; W141-I169 HydrophobicContact CZ2-CG2 4.24Å; L158-I169 HydrophobicContact CD1-CG1 4.5Å; L158-I169 HydrophobicContact CD2-CG1 4.3Å; F161-I169 HydrophobicContact CD1-CG1 4.46Å; F161-I169 HydrophobicContact CE1-CG1 4.04Å; Q165-I169 WeakPolarHBondContact O-CG1 3.46Å; Q165-I169 PolarHBondContact O-N 3.48Å; I166-I169 PolarHBondContact O-N 3.03Å; I169-K171 PolarHBondContact O-N 2.88Å; I169-H172 PolarHBondContact O-N 3.35Å; I169-C173 HydrophobicContact CG2-CB 4.33Å; I169-C173 VanDerWaalsContact O-CB 3.25Å; I169-C173 WeakPolarHBondContact O-CB 3.49Å; I169-C173 PolarHBondContact O-N 2.98Å; I169-C173 PolarHBondContact O-SG 2.87Å; I169-P177 HydrophobicContact CG2-CG 3.97Å
170L98.7Very high98.6Very high46 Ų4645 Ų4524%0.24120%0.199CC..Hα-helixtrans-60.7-29.4-179.2-69.6-179.9000113.4I166 E167 K176 P177 V200I166-L170 HydrophobicContact CG2-CD1 3.85Å; I166-L170 HydrophobicContact CG2-CG 4.16Å; I166-L170 WeakPolarHBondContact O-CB 3.43Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.36Å; I166-L170 PolarHBondContact O-N 3.08Å; E167-L170 PolarHBondContact O-N 3.39Å; L170-K176 HydrophobicContact CD2-CD 4.05Å; L170-K176 HydrophobicContact CD2-CG 3.6Å; L170-P177 HydrophobicContact CD2-CG 4.07Å; L170-V200 HydrophobicContact CD1-CB 4Å; L170-V200 HydrophobicContact CD1-CG1 4.27Å; L170-V200 HydrophobicContact CD1-CG2 4.02Å
171K98.4Very high98.6Very high166 Ų16644.8 Ų44.872%0.72220%0.198SC*.Hα-helixtrans-72.9-31176.8-177.1179.9173.5-169.90112.9E167 N168 I169E167-K171 WeakPolarHBondContact O-CB 3.35Å; E167-K171 PolarHBondContact O-N 3.37Å; N168-K171 PolarHBondContact O-N 2.78Å; I169-K171 PolarHBondContact O-N 2.88Å
172H98.5Very high98.7Very high95 Ų9544.9 Ų44.944%0.4420%0.198SC..Hα-helixtrans-111.6-13.1-171-59.4101.7000114.1E138 N168 I169E138-H172 HydrophobicContact CB-CB 4.09Å; N168-H172 PolarHBondContact O-N 2.88Å; N168-H172 PolarHBondContact O-ND1 2.74Å; N168-H172 PolarHBondContact OD1-CE1 2.78Å; N168-H172 PolarHBondContact OD1-ND1 3.41Å; I169-H172 PolarHBondContact O-N 3.35Å
173C98.5Very high98.6Very high30 Ų3044.7 Ų44.720%0.20320%0.197CC..  trans-72142.4-176.867.90000113.2E145 I169 I175E145-C173 WeakPolarHBondContact OE1-CA 3.27Å; I169-C173 HydrophobicContact CG2-CB 4.33Å; I169-C173 VanDerWaalsContact O-CB 3.25Å; I169-C173 WeakPolarHBondContact O-CB 3.49Å; I169-C173 PolarHBondContact O-N 2.98Å; I169-C173 PolarHBondContact O-SG 2.87Å; C173-I175 WeakPolarHBondContact CB-O 3.11Å
174R98.7Very high98.6Very high142 Ų14240.3 Ų40.354%0.53618%0.181SC..SBendtrans-86.8-42.1159.8174.2-175.356.5101.8-2.6110.9E145 D149E145-R174 WeakPolarHBondContact OE1-CA 3.39Å; E145-R174 PolarHBondContact OE1-N 2.83Å; E145-R174 IonicContact OE2-NE 2.75Å; D149-R174 IonicContact OD1-CZ 3.68Å; D149-R174 IonicContact OD1-NH1 4Å; D149-R174 PolarHBondContact OD1-NH1 3.41Å; D149-R174 IonicContact OD1-NH2 3.07Å; D149-R174 PolarHBondContact OD1-NH2 3.13Å; D149-R174 IonicContact OD2-CZ 3.39Å; D149-R174 IonicContact OD2-NH1 3.79Å; D149-R174 PolarHBondContact OD2-NH1 3.14Å; D149-R174 IonicContact OD2-NH2 2.8Å; D149-R174 PolarHBondContact OD2-NH2 2.93Å
175I98.7Very high98.6Very high43 Ų4335.5 Ų35.522%0.22116%0.163CC..SBendtrans-107117.1174.1-58.5177.3000107.7W141 E145 V148 I156 C173W141-I175 VanDerWaalsContact CZ2-O 3.28Å; W141-I175 WeakPolarHBondContact CZ2-O 3.47Å; W141-I175 PolarHBondContact NE1-O 3.45Å; E145-I175 HydrophobicContact CB-CB 4.49Å; E145-I175 HydrophobicContact CB-CD1 4.15Å; E145-I175 HydrophobicContact CB-CG1 4.45Å; E145-I175 HydrophobicContact CG-CB 4.05Å; E145-I175 HydrophobicContact CG-CG1 4.46Å; E145-I175 PolarHBondContact OE1-N 2.71Å; V148-I175 HydrophobicContact CB-CD1 3.83Å; V148-I175 HydrophobicContact CG1-CD1 3.95Å; V148-I175 HydrophobicContact CG2-CD1 4.23Å; I156-I175 HydrophobicContact CD1-CB 4.38Å; I156-I175 HydrophobicContact CD1-CG2 4.11Å; I156-I175 HydrophobicContact CG1-CG2 4.24Å; C173-I175 WeakPolarHBondContact CB-O 3.11Å
176K98.6Very high98.5Very high84 Ų8435.4 Ų35.437%0.36516%0.162SC..  trans-70.3140-176.5-169.7178176.6165.40111.9L170 V178 V200L170-K176 HydrophobicContact CD2-CD 4.05Å; L170-K176 HydrophobicContact CD2-CG 3.6Å; K176-V178 PolarHBondContact O-N 2.98Å; K176-V200 WeakPolarHBondContact CE-O 3.38Å; K176-V200 PolarHBondContact NZ-O 3.47Å
177P98.9Very high98.4Very high0 Ų036 Ų360%017%0.166CC..  trans-58.9136.1166.723.7-33.1000110.5W141 L158 I169 L170 L202W141-P177 HydrophobicContact CH2-CB 3.42Å; W141-P177 VanDerWaalsContact CH2-CB 3.42Å; W141-P177 HydrophobicContact CH2-CG 4.18Å; W141-P177 HydrophobicContact CZ2-CB 3.81Å; W141-P177 VanDerWaalsContact CZ2-CD 3.45Å; W141-P177 HydrophobicContact CZ2-CG 4.15Å; W141-P177 VanDerWaalsContact CZ2-N 3.35Å; W141-P177 HydrophobicContact CZ3-CB 4.18Å; L158-P177 HydrophobicContact CD1-CB 4.05Å; L158-P177 HydrophobicContact CD1-CG 4.02Å; L158-P177 HydrophobicContact CG-CB 3.86Å; L158-P177 HydrophobicContact CG-CG 4.36Å; I169-P177 HydrophobicContact CG2-CG 3.97Å; L170-P177 HydrophobicContact CD2-CG 4.07Å; P177-L202 HydrophobicContact CB-CD2 4.21Å; P177-L202 HydrophobicContact CG-CD2 4.26Å
178V98.8Very high98.3Very high4 Ų433.3 Ų33.32%0.02415%0.153CC..  trans-106-12.8-176.6-50.20000113.9M6 S7 N8 L106 I156 K176 T203M6-V178 HydrophobicContact CB-CB 4.1Å; M6-V178 HydrophobicContact CB-CG2 4.17Å; M6-V178 HydrophobicContact CE-CG2 4.14Å; M6-V178 HydrophobicContact CG-CG2 4.36Å; M6-V178 HydrophobicContact SD-CB 4.45Å; M6-V178 HydrophobicContact SD-CG2 3.58Å; M6-V178 VanDerWaalsContact SD-CG2 3.58Å; S7-V178 WeakPolarHBondContact OG-CG1 3.46Å; N8-V178 HydrophobicContact CB-CG1 3.89Å; L106-V178 HydrophobicContact CD1-CG2 4.27Å; I156-V178 PolarHBondContact O-N 3.28Å; K176-V178 PolarHBondContact O-N 2.98Å; V178-T203 PolarHBondContact O-N 3.41Å; V178-T203 PolarHBondContact O-OG1 2.76Å
179N98.9Very high98.2Very high0 Ų031.2 Ų31.20%014%0.142CC..EExtended strand (participates in β ladder)trans-141.2142.5-177.7-174.4-102000111.3L106 L108 G157 L158 T203 T205L106-N179 HydrophobicContact CD1-CB 4.16Å; L106-N179 HydrophobicContact CD2-CB 3.88Å; L108-N179 HydrophobicContact CD2-CB 4.47Å; G157-N179 WeakPolarHBondContact CA-O 3.45Å; L158-N179 PolarHBondContact N-O 3.11Å; N179-T203 CarbonylContact C-O 3.57Å; N179-T203 VanDerWaalsContact CA-O 3.27Å; N179-T203 WeakPolarHBondContact CA-O 3.13Å; N179-T203 PolarHBondContact ND2-O 3.14Å; N179-T203 PolarHBondContact ND2-OG1 3.44Å; N179-T205 PolarHBondContact ND2-OG1 2.84Å; N179-T205 PolarHBondContact OD1-OG1 3.46Å
180L98.9Very high98.1Very high0 Ų031.6 Ų31.60%014%0.144CC..EExtended strand (participates in β ladder)trans-118.3111.6166.3178.465.4000109.2L158 F161 I166 I182 L193 A197 L202 T203 V204 T205L158-L180 HydrophobicContact CB-CD1 3.93Å; L158-L180 CarbonylContact O-C 3.53Å; L158-L180 VanDerWaalsContact O-CA 3.32Å; L158-L180 WeakPolarHBondContact O-CA 3.16Å; F161-L180 HydrophobicContact CB-CD1 4.16Å; I166-L180 HydrophobicContact CD1-CD1 4.26Å; I166-L180 HydrophobicContact CD1-CD2 3.68Å; L180-I182 HydrophobicContact CD1-CG2 3.83Å; L180-I182 HydrophobicContact CD2-CD1 3.97Å; L180-I182 HydrophobicContact CD2-CG1 4.46Å; L180-I182 HydrophobicContact CD2-CG2 4.15Å; L180-I182 HydrophobicContact CG-CD1 4.34Å; L180-I182 HydrophobicContact CG-CG1 4.29Å; L180-I182 HydrophobicContact CG-CG2 3.76Å; L180-L193 HydrophobicContact CD2-CD1 4.07Å; L180-L193 HydrophobicContact CD2-CD2 4.34Å; L180-L193 HydrophobicContact CD2-CG 3.97Å; L180-A197 HydrophobicContact CB-CB 4.3Å; L180-A197 HydrophobicContact CD2-CB 3.59Å; L180-L202 HydrophobicContact CB-CD2 3.98Å; L180-T203 PolarHBondContact N-O 3.22Å; L180-V204 WeakPolarHBondContact O-CA 3.39Å; L180-T205 PolarHBondContact O-N 3.09Å
181Q98.9Very high98.1Very high1 Ų131.8 Ų31.81%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-96.3115.2175.2-169.7-176.4113.700111.2D43 L108 L158 S159 N160 T205 Y207D43-Q181 PolarHBondContact OD1-NE2 2.95Å; L108-Q181 HydrophobicContact CD1-CB 3.67Å; L108-Q181 HydrophobicContact CD1-CG 4.42Å; L158-Q181 PolarHBondContact O-N 2.96Å; S159-Q181 CarbonylContact C-O 3.52Å; S159-Q181 WeakPolarHBondContact CA-O 3.38Å; S159-Q181 WeakPolarHBondContact CB-O 3.34Å; S159-Q181 PolarHBondContact OG-O 3.15Å; N160-Q181 PolarHBondContact N-O 3.03Å; N160-Q181 VanDerWaalsContact N-O 3.09Å; Q181-T205 CarbonylContact C-O 3.59Å; Q181-T205 VanDerWaalsContact CA-O 3.28Å; Q181-T205 WeakPolarHBondContact CA-O 3.42Å; Q181-T205 HydrophobicContact CG-CG2 3.91Å; Q181-T205 WeakPolarHBondContact CG-O 3.41Å; Q181-Y207 HydrophobicContact CG-CD1 4.15Å
182I98.8Very high98.1Very high2 Ų229.7 Ų29.71%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-141.6164.3-171.847.5169.7000111.9L180 V184 L193 V194 V204 T205 A206 Y207L180-I182 HydrophobicContact CD1-CG2 3.83Å; L180-I182 HydrophobicContact CD2-CD1 3.97Å; L180-I182 HydrophobicContact CD2-CG1 4.46Å; L180-I182 HydrophobicContact CD2-CG2 4.15Å; L180-I182 HydrophobicContact CG-CD1 4.34Å; L180-I182 HydrophobicContact CG-CG1 4.29Å; L180-I182 HydrophobicContact CG-CG2 3.76Å; I182-V184 HydrophobicContact CD1-CG2 4.01Å; I182-V184 HydrophobicContact CG1-CG2 3.83Å; I182-V184 PolarHBondContact O-N 2.94Å; I182-L193 HydrophobicContact CD1-CB 4.38Å; I182-L193 HydrophobicContact CD1-CD2 3.84Å; I182-L193 HydrophobicContact CD1-CG 3.92Å; I182-L193 HydrophobicContact CG2-CD2 4.25Å; I182-V194 HydrophobicContact CD1-CG2 4.13Å; I182-V204 HydrophobicContact CD1-CG1 4.09Å; I182-V204 HydrophobicContact CG1-CG1 3.91Å; I182-T205 PolarHBondContact N-O 3.22Å; I182-A206 WeakPolarHBondContact O-CA 3.32Å; I182-Y207 VanDerWaalsContact C-CD1 3.45Å; I182-Y207 PolarHBondContact O-N 2.77Å; I182-Y207 VanDerWaalsContact O-N 3.08Å
183E97.9Very high98.1Very high0 Ų025.3 Ų25.30%012%0.118CC..EExtended strand (participates in β ladder)trans-66117.1170.4-168.5-177.1161.300109.4H185 F188 N190 Y207 R291 K292 F293E183-H185 IonicContact OE1-CD2 3.21Å; E183-H185 IonicContact OE1-CE1 3.51Å; E183-H185 IonicContact OE1-NE2 3.89Å; E183-H185 PolarHBondContact OE1-NE2 2.82Å; E183-F188 HydrophobicContact CB-CD1 4.09Å; E183-F188 HydrophobicContact CB-CE1 4.28Å; E183-F188 HydrophobicContact CG-CD1 3.93Å; E183-F188 WeakPolarHBondContact O-CD1 3.33Å; E183-N190 PolarHBondContact O-ND2 3.38Å; E183-N190 VanDerWaalsContact O-ND2 3.16Å; E183-Y207 HydrophobicContact CB-CD2 4.31Å; E183-Y207 HydrophobicContact CB-CE1 4.46Å; E183-Y207 HydrophobicContact CB-CE2 3.5Å; E183-Y207 HydrophobicContact CG-CE2 3.94Å; E183-Y207 VanDerWaalsContact N-CE1 3.25Å; E183-R291 WeakPolarHBondContact OE2-CG 3.37Å; E183-K292 WeakPolarHBondContact OE1-CA 3.24Å; E183-K292 WeakPolarHBondContact OE1-CB 3.27Å; E183-K292 PolarHBondContact OE1-N 3.18Å; E183-K292 PolarHBondContact OE2-N 2.77Å; E183-F293 HydrophobicContact CG-CD2 4.09Å; E183-F293 WeakPolarHBondContact OE2-CB 3.32Å; E183-F293 WeakPolarHBondContact OE2-CD2 3.45Å; E183-F293 PolarHBondContact OE2-N 3.29Å
184V98.4Very high98.1Very high0 Ų024 Ų240%011%0.108CC..  trans-145126172-166.60000109.3I182 P189 N190 V194 V204 A206 L247 I252I182-V184 HydrophobicContact CD1-CG2 4.01Å; I182-V184 HydrophobicContact CG1-CG2 3.83Å; I182-V184 PolarHBondContact O-N 2.94Å; V184-P189 VanDerWaalsContact CG1-O 3.32Å; V184-P189 WeakPolarHBondContact CG1-O 3.22Å; V184-N190 HydrophobicContact CG2-CB 4.33Å; V184-V194 HydrophobicContact CG1-CG2 4.44Å; V184-V194 HydrophobicContact CG2-CG2 3.94Å; V184-V204 HydrophobicContact CG2-CG1 4.49Å; V184-A206 HydrophobicContact CB-CB 3.87Å; V184-A206 HydrophobicContact CG2-CB 4.42Å; V184-L247 HydrophobicContact CB-CD2 4.29Å; V184-L247 HydrophobicContact CG1-CD2 3.66Å; V184-I252 HydrophobicContact CG1-CD1 4.03Å
185H97.6Very high98.1Very high4 Ų422.8 Ų22.82%0.01911%0.109CC..BIsolated β-bridgetrans-161.7173.3172.850.863.5000109.4E183 N187 F188 P189 A208 P209 L222E183-H185 IonicContact OE1-CD2 3.21Å; E183-H185 IonicContact OE1-CE1 3.51Å; E183-H185 IonicContact OE1-NE2 3.89Å; E183-H185 PolarHBondContact OE1-NE2 2.82Å; H185-N187 WeakPolarHBondContact ND1-CB 3.28Å; H185-N187 PolarHBondContact ND1-N 2.96Å; H185-N187 PolarHBondContact O-N 3.36Å; H185-N187 VanDerWaalsContact O-N 3.12Å; H185-F188 VanDerWaalsContact CE1-CB 3.46Å; H185-F188 WeakPolarHBondContact CE1-CB 3.38Å; H185-F188 PolarHBondContact CE1-N 3.02Å; H185-F188 PolarHBondContact N-O 2.89Å; H185-F188 VanDerWaalsContact N-O 3.13Å; H185-F188 PolarHBondContact ND1-N 3.1Å; H185-F188 VanDerWaalsContact ND1-N 3.1Å; H185-F188 CarbonylContact O-C 3.45Å; H185-F188 WeakPolarHBondContact O-CA 3.4Å; H185-F188 PolarHBondContact O-N 3.32Å; H185-P189 VanDerWaalsContact O-N 3.17Å; H185-A208 PolarHBondContact CD2-O 3.06Å; H185-A208 VanDerWaalsContact CD2-O 3.25Å; H185-P209 WeakPolarHBondContact CB-O 3.35Å; H185-L222 HydrophobicContact CB-CD1 3.97Å
186A97.3Very high98.1Very high0 Ų022.1 Ų22.10%010%0.104CC..THydrogen-bonded Turntrans-60.2-28.9-175.700000114F188 L222 W227 L243 Y246 L283 G287A186-F188 VanDerWaalsContact C-N 3.3Å; A186-F188 PolarHBondContact O-N 3Å; A186-L222 HydrophobicContact CB-CD1 4.25Å; A186-L222 HydrophobicContact CB-CD2 3.9Å; A186-W227 HydrophobicContact CB-CH2 3.67Å; A186-W227 HydrophobicContact CB-CZ3 4.06Å; A186-L243 HydrophobicContact CB-CD2 3.7Å; A186-Y246 HydrophobicContact CB-CE1 4.3Å; A186-L283 HydrophobicContact CB-CD2 4.11Å; A186-G287 WeakPolarHBondContact O-CA 3.35Å
187N95.6Very high98.1Very high14 Ų1418.1 Ų18.18%0.0759%0.086CC..THydrogen-bonded Turntrans-77-9.4171.5-89.2-16.3000115H185 A220 L222 G287 L288 N289 Q290H185-N187 WeakPolarHBondContact ND1-CB 3.28Å; H185-N187 PolarHBondContact ND1-N 2.96Å; H185-N187 PolarHBondContact O-N 3.36Å; H185-N187 VanDerWaalsContact O-N 3.12Å; N187-A220 PolarHBondContact ND2-O 3.46Å; N187-L222 HydrophobicContact CB-CD1 4.2Å; N187-L222 HydrophobicContact CB-CD2 4.04Å; N187-L222 HydrophobicContact CB-CG 4.24Å; N187-L222 VanDerWaalsContact CG-CD2 3.43Å; N187-G287 VanDerWaalsContact OD1-CA 3.29Å; N187-G287 WeakPolarHBondContact OD1-CA 3.5Å; N187-L288 PolarHBondContact OD1-N 2.85Å; N187-L288 VanDerWaalsContact OD1-N 3.16Å; N187-N289 CarbonylContact O-C 3.3Å; N187-N289 VanDerWaalsContact O-CA 3.22Å; N187-N289 WeakPolarHBondContact O-CA 3.06Å; N187-N289 PolarHBondContact O-N 3.2Å; N187-Q290 PolarHBondContact O-N 3.01Å
188F96.1Very high98.1Very high20 Ų2021.1 Ų21.19%0.08810%0.1CC..BIsolated β-bridgetrans-152.677.6177.3-174.5-125.5000108.7E183 H185 A186 N190 Q290 R291E183-F188 HydrophobicContact CB-CD1 4.09Å; E183-F188 HydrophobicContact CB-CE1 4.28Å; E183-F188 HydrophobicContact CG-CD1 3.93Å; E183-F188 WeakPolarHBondContact O-CD1 3.33Å; H185-F188 VanDerWaalsContact CE1-CB 3.46Å; H185-F188 WeakPolarHBondContact CE1-CB 3.38Å; H185-F188 PolarHBondContact CE1-N 3.02Å; H185-F188 PolarHBondContact N-O 2.89Å; H185-F188 VanDerWaalsContact N-O 3.13Å; H185-F188 PolarHBondContact ND1-N 3.1Å; H185-F188 VanDerWaalsContact ND1-N 3.1Å; H185-F188 CarbonylContact O-C 3.45Å; H185-F188 WeakPolarHBondContact O-CA 3.4Å; H185-F188 PolarHBondContact O-N 3.32Å; A186-F188 VanDerWaalsContact C-N 3.3Å; A186-F188 PolarHBondContact O-N 3Å; F188-N190 HydrophobicContact CD1-CB 4.04Å; F188-N190 HydrophobicContact CE1-CB 3.69Å; F188-N190 WeakPolarHBondContact CE1-ND2 3.48Å; F188-N190 HydrophobicContact CE2-CB 4.41Å; F188-N190 HydrophobicContact CZ-CB 3.88Å; F188-N190 PolarHBondContact O-N 3.45Å; F188-N190 VanDerWaalsContact O-N 3.16Å; F188-Q290 WeakPolarHBondContact CB-O 3.3Å; F188-R291 HydrophobicContact CD1-CB 4.34Å; F188-R291 HydrophobicContact CD2-CB 4.41Å; F188-R291 HydrophobicContact CE1-CB 4.06Å; F188-R291 HydrophobicContact CE1-CG 4.2Å; F188-R291 HydrophobicContact CE2-CB 4.14Å; F188-R291 HydrophobicContact CZ-CB 3.97Å; F188-R291 HydrophobicContact CZ-CG 4.47Å
189P97.5Very high98.1Very high4 Ų425.3 Ų25.33%0.02613%0.13CC..  trans-62.7-22.8-175.5-26.436.6000113.3V184 H185 T191 R250V184-P189 VanDerWaalsContact CG1-O 3.32Å; V184-P189 WeakPolarHBondContact CG1-O 3.22Å; H185-P189 VanDerWaalsContact O-N 3.17Å; P189-T191 PolarHBondContact O-N 2.89Å; P189-R250 PolarHBondContact O-NH1 3.47Å; P189-R250 PolarHBondContact O-NH2 3.28Å
190N97.3Very high98.1Very high9 Ų926.9 Ų26.95%0.04814%0.139CC..  trans50.434.1177-157.80.4000112.7E183 V184 F188 K192 L193 V194E183-N190 PolarHBondContact O-ND2 3.38Å; E183-N190 VanDerWaalsContact O-ND2 3.16Å; V184-N190 HydrophobicContact CG2-CB 4.33Å; F188-N190 HydrophobicContact CD1-CB 4.04Å; F188-N190 HydrophobicContact CE1-CB 3.69Å; F188-N190 WeakPolarHBondContact CE1-ND2 3.48Å; F188-N190 HydrophobicContact CE2-CB 4.41Å; F188-N190 HydrophobicContact CZ-CB 3.88Å; F188-N190 PolarHBondContact O-N 3.45Å; F188-N190 VanDerWaalsContact O-N 3.16Å; N190-K192 PolarHBondContact O-N 3.08Å; N190-L193 PolarHBondContact O-N 3.15Å; N190-L193 WeakPolarHBondContact OD1-CB 3.42Å; N190-V194 WeakPolarHBondContact O-CG2 3.44Å; N190-V194 PolarHBondContact O-N 2.72Å; N190-V194 VanDerWaalsContact O-N 3.09Å
191T98Very high98Very high50 Ų5028.5 Ų28.531%0.30716%0.156SC..Hα-helixtrans-56.5-45.8-164.5-56.90000112.8P189 L193 V194 E195P189-T191 PolarHBondContact O-N 2.89Å; T191-L193 PolarHBondContact O-N 3.26Å; T191-V194 PolarHBondContact O-N 3.42Å; T191-E195 VanDerWaalsContact CG2-CD 3.47Å; T191-E195 HydrophobicContact CG2-CG 4.09Å; T191-E195 WeakPolarHBondContact CG2-OE1 2.99Å; T191-E195 WeakPolarHBondContact O-CB 3.47Å; T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.44Å
192K98.1Very high98Very high122 Ų12228.6 Ų28.653%0.5316%0.157SC..Hα-helixtrans-58.5-44.7-178.9-64.8-176.8-179.7177.90112.7N190 Y196 Y310N190-K192 PolarHBondContact O-N 3.08Å; K192-Y196 VanDerWaalsContact O-CB 3.27Å; K192-Y196 WeakPolarHBondContact O-CB 3.42Å; K192-Y196 PolarHBondContact O-N 2.89Å; K192-Y310 HydrophobicContact CB-CD1 3.84Å; K192-Y310 HydrophobicContact CB-CD2 3.85Å; K192-Y310 HydrophobicContact CB-CE1 4.14Å; K192-Y310 HydrophobicContact CB-CE2 4.08Å; K192-Y310 HydrophobicContact CB-CG 3.71Å; K192-Y310 HydrophobicContact CD-CD1 3.72Å; K192-Y310 HydrophobicContact CD-CE1 3.75Å; K192-Y310 HydrophobicContact CD-CG 4.43Å; K192-Y310 HydrophobicContact CG-CD1 4.46Å
193L98.7Very high98Very high3 Ų329.2 Ų29.22%0.01616%0.16CC..Hα-helixtrans-70.7-41.8179.3-172.147.7000111.7I166 L180 I182 N190 T191 Y196 A197 Y310I166-L193 HydrophobicContact CD1-CD1 3.83Å; L180-L193 HydrophobicContact CD2-CD1 4.07Å; L180-L193 HydrophobicContact CD2-CD2 4.34Å; L180-L193 HydrophobicContact CD2-CG 3.97Å; I182-L193 HydrophobicContact CD1-CB 4.38Å; I182-L193 HydrophobicContact CD1-CD2 3.84Å; I182-L193 HydrophobicContact CD1-CG 3.92Å; I182-L193 HydrophobicContact CG2-CD2 4.25Å; N190-L193 PolarHBondContact O-N 3.15Å; N190-L193 WeakPolarHBondContact OD1-CB 3.42Å; T191-L193 PolarHBondContact O-N 3.26Å; L193-Y196 PolarHBondContact O-N 2.61Å; L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.44Å; L193-A197 PolarHBondContact O-N 3.05Å; L193-Y310 VanDerWaalsContact CD1-OXT 3.3Å; L193-Y310 WeakPolarHBondContact CD1-OXT 3.36Å
194V98.8Very high98.1Very high1 Ų129.2 Ų29.21%0.00616%0.16CC..Hα-helixtrans-59.4-53.3178.3171.10000110.4I182 V184 N190 T191 Y196 A197 Q198 V204 I252I182-V194 HydrophobicContact CD1-CG2 4.13Å; V184-V194 HydrophobicContact CG1-CG2 4.44Å; V184-V194 HydrophobicContact CG2-CG2 3.94Å; N190-V194 WeakPolarHBondContact O-CG2 3.44Å; N190-V194 PolarHBondContact O-N 2.72Å; N190-V194 VanDerWaalsContact O-N 3.09Å; T191-V194 PolarHBondContact O-N 3.42Å; V194-Y196 VanDerWaalsContact C-N 3.33Å; V194-Y196 PolarHBondContact O-N 3.25Å; V194-A197 PolarHBondContact O-N 2.82Å; V194-Q198 WeakPolarHBondContact O-CB 3.15Å; V194-Q198 WeakPolarHBondContact O-CG 3.41Å; V194-Q198 PolarHBondContact O-N 2.87Å; V194-V204 HydrophobicContact CG1-CG2 4.33Å; V194-V204 HydrophobicContact CG2-CG1 4.27Å; V194-I252 HydrophobicContact CG1-CD1 3.79Å; V194-I252 HydrophobicContact CG1-CG1 4.03Å; V194-I252 HydrophobicContact CG2-CD1 4.16Å
195E98.6Very high98.1Very high118 Ų11829.2 Ų29.255%0.55116%0.161SC*.Hα-helixtrans-62.1-42.3-179.4-72.2174.7171.800111.3T191 Q198 S199T191-E195 VanDerWaalsContact CG2-CD 3.47Å; T191-E195 HydrophobicContact CG2-CG 4.09Å; T191-E195 WeakPolarHBondContact CG2-OE1 2.99Å; T191-E195 WeakPolarHBondContact O-CB 3.47Å; T191-E195 WeakPolarHBondContact O-CG 3.45Å; T191-E195 PolarHBondContact O-N 3.44Å; E195-Q198 PolarHBondContact O-N 2.91Å; E195-S199 VanDerWaalsContact O-CB 3.31Å; E195-S199 WeakPolarHBondContact O-CB 3.34Å; E195-S199 PolarHBondContact O-N 2.8Å
196Y98.7Very high98.2Very high28 Ų2829 Ų2911%0.1116%0.16CC..Hα-helixtrans-59.6-53.3174.7173.5-100.4000111.4R163 I166 E167 K192 L193 V194 Q198 S199 V200R163-Y196 HydrophobicContact CB-CD1 4.24Å; R163-Y196 HydrophobicContact CB-CE1 4.32Å; R163-Y196 HydrophobicContact CG-CD1 3.95Å; R163-Y196 HydrophobicContact CG-CD2 4.33Å; R163-Y196 HydrophobicContact CG-CE1 3.76Å; R163-Y196 HydrophobicContact CG-CE2 4.13Å; R163-Y196 HydrophobicContact CG-CG 4.25Å; I166-Y196 HydrophobicContact CB-CE1 4.13Å; I166-Y196 HydrophobicContact CD1-CD1 4.44Å; I166-Y196 HydrophobicContact CD1-CE1 4.31Å; I166-Y196 HydrophobicContact CG2-CE1 3.86Å; E167-Y196 WeakPolarHBondContact CG-OH 3.11Å; E167-Y196 PolarHBondContact OE1-OH 3.39Å; K192-Y196 VanDerWaalsContact O-CB 3.27Å; K192-Y196 WeakPolarHBondContact O-CB 3.42Å; K192-Y196 PolarHBondContact O-N 2.89Å; L193-Y196 PolarHBondContact O-N 2.61Å; V194-Y196 VanDerWaalsContact C-N 3.33Å; V194-Y196 PolarHBondContact O-N 3.25Å; Y196-Q198 VanDerWaalsContact C-N 3.31Å; Y196-Q198 PolarHBondContact O-N 3.2Å; Y196-S199 WeakPolarHBondContact O-CB 3.32Å; Y196-S199 PolarHBondContact O-N 3.16Å; Y196-S199 PolarHBondContact O-OG 3.16Å; Y196-V200 HydrophobicContact CE1-CG2 4.18Å; Y196-V200 HydrophobicContact CE2-CG1 3.95Å; Y196-V200 WeakPolarHBondContact O-CG2 3.48Å; Y196-V200 PolarHBondContact O-N 2.86Å; Y196-V200 VanDerWaalsContact O-N 3.09Å
197A98.8Very high98.2Very high0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-57.3-44.2-179.400000111.7L180 L193 V194 V200 G201 L202 V204L180-A197 HydrophobicContact CB-CB 4.3Å; L180-A197 HydrophobicContact CD2-CB 3.59Å; L193-A197 VanDerWaalsContact O-CB 3.31Å; L193-A197 WeakPolarHBondContact O-CB 3.44Å; L193-A197 PolarHBondContact O-N 3.05Å; V194-A197 PolarHBondContact O-N 2.82Å; A197-V200 VanDerWaalsContact O-CG2 3.29Å; A197-V200 WeakPolarHBondContact O-CG2 3.43Å; A197-V200 PolarHBondContact O-N 2.98Å; A197-G201 PolarHBondContact O-N 2.93Å; A197-L202 HydrophobicContact CB-CB 4.22Å; A197-L202 WeakPolarHBondContact O-CB 3.42Å; A197-L202 PolarHBondContact O-N 3.03Å; A197-V204 HydrophobicContact CB-CG2 3.93Å
198Q98.7Very high98.3Very high63 Ų6330.3 Ų30.329%0.29417%0.167SC..Hα-helixtrans-63.7-40.8174.7-71.2170.2-26.700112.1V194 E195 Y196 V200 G201 L202 V204 R250 D251V194-Q198 WeakPolarHBondContact O-CB 3.15Å; V194-Q198 WeakPolarHBondContact O-CG 3.41Å; V194-Q198 PolarHBondContact O-N 2.87Å; E195-Q198 PolarHBondContact O-N 2.91Å; Y196-Q198 VanDerWaalsContact C-N 3.31Å; Y196-Q198 PolarHBondContact O-N 3.2Å; Q198-V200 PolarHBondContact O-N 2.96Å; Q198-G201 WeakPolarHBondContact O-CA 3.22Å; Q198-G201 PolarHBondContact O-N 3.38Å; Q198-L202 WeakPolarHBondContact CA-O 3.43Å; Q198-V204 HydrophobicContact CG-CG2 4.12Å; Q198-R250 PolarHBondContact NE2-O 3.3Å; Q198-D251 PolarHBondContact NE2-O 3.27Å; Q198-D251 VanDerWaalsContact NE2-O 3.13Å
199S98.5Very high98.4Very high92 Ų9229.5 Ų29.564%0.64316%0.164SC*.Hα-helixtrans-63.2-30.6179.378.70000113.2E195 Y196 G201E195-S199 VanDerWaalsContact O-CB 3.31Å; E195-S199 WeakPolarHBondContact O-CB 3.34Å; E195-S199 PolarHBondContact O-N 2.8Å; Y196-S199 WeakPolarHBondContact O-CB 3.32Å; Y196-S199 PolarHBondContact O-N 3.16Å; Y196-S199 PolarHBondContact O-OG 3.16Å; S199-G201 VanDerWaalsContact C-N 3.31Å
200V98.5Very high98.4Very high33 Ų3330.6 Ų30.620%0.217%0.169CC..THydrogen-bonded Turntrans-92.112.6173.6-63.30000112.2L170 K176 Y196 A197 Q198 L202L170-V200 HydrophobicContact CD1-CB 4Å; L170-V200 HydrophobicContact CD1-CG1 4.27Å; L170-V200 HydrophobicContact CD1-CG2 4.02Å; K176-V200 WeakPolarHBondContact CE-O 3.38Å; K176-V200 PolarHBondContact NZ-O 3.47Å; Y196-V200 HydrophobicContact CE1-CG2 4.18Å; Y196-V200 HydrophobicContact CE2-CG1 3.95Å; Y196-V200 WeakPolarHBondContact O-CG2 3.48Å; Y196-V200 PolarHBondContact O-N 2.86Å; Y196-V200 VanDerWaalsContact O-N 3.09Å; A197-V200 VanDerWaalsContact O-CG2 3.29Å; A197-V200 WeakPolarHBondContact O-CG2 3.43Å; A197-V200 PolarHBondContact O-N 2.98Å; Q198-V200 PolarHBondContact O-N 2.96Å; V200-L202 HydrophobicContact CB-CD1 4.4Å; V200-L202 HydrophobicContact CG2-CD1 3.54Å
201G98.2Very high98.2Very high34 Ų3430.5 Ų30.535%0.35117%0.17SC..THydrogen-bonded Turntrans80.820.9171.200000115.6S7 A197 Q198 S199S7-G201 WeakPolarHBondContact CB-O 3.38Å; S7-G201 PolarHBondContact OG-O 2.9Å; A197-G201 PolarHBondContact O-N 2.93Å; Q198-G201 WeakPolarHBondContact O-CA 3.22Å; Q198-G201 PolarHBondContact O-N 3.38Å; S199-G201 VanDerWaalsContact C-N 3.31Å
202L98.8Very high97.9Very high4 Ų429.2 Ų29.22%0.02116%0.163CC..  trans-90.5131.4169.6-75.176.2000108.9P177 L180 A197 Q198 V200P177-L202 HydrophobicContact CB-CD2 4.21Å; P177-L202 HydrophobicContact CG-CD2 4.26Å; L180-L202 HydrophobicContact CB-CD2 3.98Å; A197-L202 HydrophobicContact CB-CB 4.22Å; A197-L202 WeakPolarHBondContact O-CB 3.42Å; A197-L202 PolarHBondContact O-N 3.03Å; Q198-L202 WeakPolarHBondContact CA-O 3.43Å; V200-L202 HydrophobicContact CB-CD1 4.4Å; V200-L202 HydrophobicContact CG2-CD1 3.54Å
203T98.8Very high97.4Very high14 Ų1425.2 Ų25.29%0.08615%0.15CC..EExtended strand (participates in β ladder)trans-67.9149.5162.4560000109.4M4 M6 I12 V178 N179 L180M4-T203 HydrophobicContact CE-CG2 4.06Å; M6-T203 HydrophobicContact CG-CG2 3.94Å; I12-T203 HydrophobicContact CG2-CG2 4.48Å; V178-T203 PolarHBondContact O-N 3.41Å; V178-T203 PolarHBondContact O-OG1 2.76Å; N179-T203 CarbonylContact C-O 3.57Å; N179-T203 VanDerWaalsContact CA-O 3.27Å; N179-T203 WeakPolarHBondContact CA-O 3.13Å; N179-T203 PolarHBondContact ND2-O 3.14Å; N179-T203 PolarHBondContact ND2-OG1 3.44Å; L180-T203 PolarHBondContact N-O 3.22Å
204V98.9Very high96.7Very high0 Ų029.5 Ų29.50%019%0.186CC..EExtended strand (participates in β ladder)trans-110137.5176.4179.60000109.9L180 I182 V184 V194 A197 Q198 I252 T253L180-V204 WeakPolarHBondContact O-CA 3.39Å; I182-V204 HydrophobicContact CD1-CG1 4.09Å; I182-V204 HydrophobicContact CG1-CG1 3.91Å; V184-V204 HydrophobicContact CG2-CG1 4.49Å; V194-V204 HydrophobicContact CG1-CG2 4.33Å; V194-V204 HydrophobicContact CG2-CG1 4.27Å; A197-V204 HydrophobicContact CB-CG2 3.93Å; Q198-V204 HydrophobicContact CG-CG2 4.12Å; V204-I252 HydrophobicContact CB-CG1 4.35Å; V204-I252 HydrophobicContact CB-CG2 4.34Å; V204-I252 HydrophobicContact CG1-CG1 4.41Å; V204-I252 HydrophobicContact CG1-CG2 3.99Å; V204-T253 PolarHBondContact O-N 3.2Å; V204-T253 PolarHBondContact O-OG1 2.66Å
205T98.9Very high95.6Very high1 Ų134.8 Ų34.81%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-118120.9172.6-56.70000109.6N179 L180 Q181 I182 T253 V255N179-T205 PolarHBondContact ND2-OG1 2.84Å; N179-T205 PolarHBondContact OD1-OG1 3.46Å; L180-T205 PolarHBondContact O-N 3.09Å; Q181-T205 CarbonylContact C-O 3.59Å; Q181-T205 VanDerWaalsContact CA-O 3.28Å; Q181-T205 WeakPolarHBondContact CA-O 3.42Å; Q181-T205 HydrophobicContact CG-CG2 3.91Å; Q181-T205 WeakPolarHBondContact CG-O 3.41Å; I182-T205 PolarHBondContact N-O 3.22Å; T205-T253 CarbonylContact C-O 3.6Å; T205-T253 WeakPolarHBondContact CA-O 3.35Å; T205-T253 WeakPolarHBondContact CA-OG1 3.41Å; T205-T253 WeakPolarHBondContact CB-OG1 3.39Å; T205-T253 WeakPolarHBondContact CG2-OG1 3.29Å; T205-T253 PolarHBondContact OG1-OG1 3.46Å; T205-V255 HydrophobicContact CG2-CG1 3.78Å; T205-V255 HydrophobicContact CG2-CG2 3.99Å
206A98.8Very high94.5Very high0 Ų031 Ų310%019%0.192CC..EExtended strand (participates in β ladder)trans-84.5111.4176.500000110.9I182 V184 P209 L247 I252 T253 V254 V255I182-A206 WeakPolarHBondContact O-CA 3.32Å; V184-A206 HydrophobicContact CB-CB 3.87Å; V184-A206 HydrophobicContact CG2-CB 4.42Å; A206-P209 HydrophobicContact CB-CB 4.37Å; A206-L247 HydrophobicContact CB-CD1 3.81Å; A206-I252 HydrophobicContact CB-CG2 3.68Å; A206-T253 PolarHBondContact N-O 3.32Å; A206-V254 HydrophobicContact CB-CG1 4.45Å; A206-V255 WeakPolarHBondContact O-CG2 3.4Å; A206-V255 PolarHBondContact O-N 2.9Å; A206-V255 VanDerWaalsContact O-N 3.17Å
207Y98.6Very high93.2Very high27 Ų2734.8 Ų34.811%0.10622%0.22CC..EExtended strand (participates in β ladder)trans-83.4159.6158.972.5-112.9000110.4N160 Q181 I182 E183 P209 F293N160-Y207 VanDerWaalsContact OD1-CE1 3.27Å; N160-Y207 WeakPolarHBondContact OD1-CE1 3.27Å; N160-Y207 PolarHBondContact OD1-OH 3.06Å; Q181-Y207 HydrophobicContact CG-CD1 4.15Å; I182-Y207 VanDerWaalsContact C-CD1 3.45Å; I182-Y207 PolarHBondContact O-N 2.77Å; I182-Y207 VanDerWaalsContact O-N 3.08Å; E183-Y207 HydrophobicContact CB-CD2 4.31Å; E183-Y207 HydrophobicContact CB-CE1 4.46Å; E183-Y207 HydrophobicContact CB-CE2 3.5Å; E183-Y207 HydrophobicContact CG-CE2 3.94Å; E183-Y207 VanDerWaalsContact N-CE1 3.25Å; Y207-P209 VanDerWaalsContact C-N 3.3Å; Y207-F293 HydrophobicContact CE2-CB 4.41Å; Y207-F293 HydrophobicContact CE2-CD1 4.46Å; Y207-F293 AromaticContact CE2-CD2 3.86Å; Y207-F293 HydrophobicContact CE2-CD2 3.86Å; Y207-F293 HydrophobicContact CE2-CE2 4.19Å; Y207-F293 HydrophobicContact CE2-CG 4.01Å
208A96.9Very high91.9Very high14 Ų1443.3 Ų43.312%0.11627%0.265CS..SBendtrans50.840.6-173.300000114.3H185 L210 G211 S212 F293H185-A208 PolarHBondContact CD2-O 3.06Å; H185-A208 VanDerWaalsContact CD2-O 3.25Å; A208-L210 PolarHBondContact O-N 2.89Å; A208-G211 PolarHBondContact O-N 2.93Å; A208-S212 WeakPolarHBondContact CB-OG 3.03Å; A208-F293 HydrophobicContact CB-CD2 4.48Å; A208-F293 HydrophobicContact CB-CE2 3.51Å; A208-F293 HydrophobicContact CB-CZ 3.91Å
209P98.1Very high90.8Very high3 Ų342.7 Ų42.72%0.01927%0.267CS..THydrogen-bonded Turntrans-62.4-19.3-171.427.9-37.1000113.9H185 A206 Y207 L244 L247 V254 P256H185-P209 WeakPolarHBondContact CB-O 3.35Å; A206-P209 HydrophobicContact CB-CB 4.37Å; Y207-P209 VanDerWaalsContact C-N 3.3Å; P209-L244 HydrophobicContact CB-CD2 3.81Å; P209-L244 HydrophobicContact CG-CD2 3.74Å; P209-L247 HydrophobicContact CB-CD1 3.33Å; P209-V254 HydrophobicContact CB-CB 4.29Å; P209-V254 HydrophobicContact CB-CG1 4.27Å; P209-V254 HydrophobicContact CG-CB 4.34Å; P209-P256 HydrophobicContact CG-CB 4Å
210L96.9Very high90Very high26 Ų2640.1 Ų40.114%0.13625%0.252CS..THydrogen-bonded Turntrans-9712.4175.9-56-178.2000113.5A208 S212 L223 A240 L243 L244 P256A208-L210 PolarHBondContact O-N 2.89Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 2.84Å; L210-L223 HydrophobicContact CD2-CD2 4.44Å; L210-A240 HydrophobicContact CD1-CB 4.14Å; L210-A240 HydrophobicContact CD2-CB 3.99Å; L210-L243 HydrophobicContact CD2-CB 3.89Å; L210-L243 HydrophobicContact CD2-CD1 4.14Å; L210-L244 HydrophobicContact CD2-CD2 4.09Å; L210-L244 HydrophobicContact CD2-CG 3.97Å; L210-P256 HydrophobicContact CD1-CB 4.47Å
211G94.3Very high89.7Confident7 Ų740.8 Ų40.87%0.07225%0.254CS..  trans76.86.8178.700000115.7A208 K292A208-G211 PolarHBondContact O-N 2.93Å; G211-K292 VanDerWaalsContact O-CD 3.3Å; G211-K292 WeakPolarHBondContact O-CD 3.49Å; G211-K292 WeakPolarHBondContact O-CE 3.43Å; G211-K292 PolarHBondContact O-NZ 2.66Å
212S91.7Very high89.5Confident23 Ų2339.2 Ų39.216%0.16124%0.238CC..  trans47.758178.4-66.40000114.8A208 L210 A214 R215 K292 F293A208-S212 WeakPolarHBondContact CB-OG 3.03Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 2.84Å; S212-A214 VanDerWaalsContact C-N 3.28Å; S212-A214 PolarHBondContact O-N 3.18Å; S212-R215 PolarHBondContact O-N 3.38Å; S212-K292 WeakPolarHBondContact O-CE 3.42Å; S212-K292 PolarHBondContact O-NZ 2.99Å; S212-F293 WeakPolarHBondContact OG-CZ 3.28Å
213P86.5Confident89.4Confident39 Ų3941.6 Ų41.625%0.25325%0.25SC..G310 helixtrans-57.2-38.3-173.621.4-33000113.3R215 S216 N221 L223P213-R215 PolarHBondContact O-N 2.93Å; P213-S216 CarbonylContact O-C 3.49Å; P213-S216 VanDerWaalsContact O-C 3.3Å; P213-S216 PolarHBondContact O-N 3.13Å; P213-N221 HydrophobicContact CB-CB 4.48Å; P213-L223 HydrophobicContact CG-CD1 4.15Å
214A83.8Confident89.2Confident93 Ų9345 Ų4577%0.76927%0.271SS*.G310 helixtrans-61.6-26.1178.800000114.4S212S212-A214 VanDerWaalsContact C-N 3.28Å; S212-A214 PolarHBondContact O-N 3.18Å
215R77.2Confident89.1Confident111 Ų11147 Ų4742%0.41928%0.281SS..G310 helixtrans-78-27.5179.5-176.3178.9177.3128.8-1.8112.6S212 P213S212-R215 PolarHBondContact O-N 3.38Å; P213-R215 PolarHBondContact O-N 2.93Å
216S74.6Confident89Confident38 Ų3851.5 Ų51.527%0.26631%0.31SS..  trans-143.974.1-177.7-50.50000109P213 L218 S219 K292P213-S216 CarbonylContact O-C 3.49Å; P213-S216 VanDerWaalsContact O-C 3.3Å; P213-S216 PolarHBondContact O-N 3.13Å; S216-L218 PolarHBondContact O-N 3.14Å; S216-L218 VanDerWaalsContact O-N 3.1Å; S216-S219 VanDerWaalsContact CB-OG 3.3Å; S216-S219 WeakPolarHBondContact CB-OG 3.14Å; S216-S219 PolarHBondContact O-N 3.21Å; S216-S219 PolarHBondContact O-OG 3.23Å; S216-K292 VanDerWaalsContact CB-CE 3.44Å; S216-K292 WeakPolarHBondContact OG-CE 3.38Å
217P71.7Confident88.8Confident109 Ų10953 Ų5371%0.70832%0.315SS*.THydrogen-bonded Turntrans-62.9-17.4-176.124.9-34.4000113.3
218L71.8Confident88.8Confident179 Ų17951.8 Ų51.894%0.93731%0.31SS*.THydrogen-bonded Turntrans-87.4-6.6176.2-57174.2000113.6S216S216-L218 PolarHBondContact O-N 3.14Å; S216-L218 VanDerWaalsContact O-N 3.1Å
219S76Confident88.8Confident49 Ų4953.9 Ų53.934%0.34332%0.319SS..SBendtrans-92.6157.5176.5670000111.4S216 N221 K292S216-S219 VanDerWaalsContact CB-OG 3.3Å; S216-S219 WeakPolarHBondContact CB-OG 3.14Å; S216-S219 PolarHBondContact O-N 3.21Å; S216-S219 PolarHBondContact O-OG 3.23Å; S219-N221 PolarHBondContact O-N 3.45Å; S219-K292 PolarHBondContact OG-NZ 3.02Å
220A81.3Confident88.9Confident38 Ų3855.9 Ų55.931%0.31433%0.333SS..  trans-47.8121.9173.200000111.5N187 E225 L288N187-A220 PolarHBondContact ND2-O 3.46Å; A220-E225 WeakPolarHBondContact CB-OE1 3.37Å; A220-L288 HydrophobicContact CB-CD1 3.85Å
221N92Very high88.9Confident47 Ų4754.7 Ų54.725%0.25133%0.327SS..  trans-96.4107.6-179.5176.910000109.6P213 S219 L223 T224 E225P213-N221 HydrophobicContact CB-CB 4.48Å; S219-N221 PolarHBondContact O-N 3.45Å; N221-L223 PolarHBondContact O-N 2.63Å; N221-L223 WeakPolarHBondContact OD1-CB 3.37Å; N221-L223 PolarHBondContact OD1-N 3.28Å; N221-L223 VanDerWaalsContact OD1-N 3.07Å; N221-T224 WeakPolarHBondContact CB-OG1 3.29Å; N221-T224 PolarHBondContact O-N 2.91Å; N221-T224 PolarHBondContact O-OG1 3.28Å; N221-E225 PolarHBondContact O-N 3.02Å
222L94.4Very high89.1Confident1 Ų154.5 Ų54.51%0.00533%0.325CS..G310 helixtrans-51.3-31.3178.7-73.1175000113.6H185 A186 N187 T224 E225 W227 V228 L243H185-L222 HydrophobicContact CB-CD1 3.97Å; A186-L222 HydrophobicContact CB-CD1 4.25Å; A186-L222 HydrophobicContact CB-CD2 3.9Å; N187-L222 HydrophobicContact CB-CD1 4.2Å; N187-L222 HydrophobicContact CB-CD2 4.04Å; N187-L222 HydrophobicContact CB-CG 4.24Å; N187-L222 VanDerWaalsContact CG-CD2 3.43Å; L222-T224 PolarHBondContact O-N 3.19Å; L222-E225 HydrophobicContact CD2-CG 4.49Å; L222-W227 HydrophobicContact CD2-CH2 3.55Å; L222-W227 HydrophobicContact CD2-CZ2 3.7Å; L222-V228 WeakPolarHBondContact O-CB 3.32Å; L222-V228 WeakPolarHBondContact O-CG2 3.35Å; L222-L243 HydrophobicContact CB-CD1 3.67Å; L222-L243 HydrophobicContact CB-CD2 4.22Å; L222-L243 HydrophobicContact CD1-CD2 4.25Å; L222-L243 HydrophobicContact CD2-CD2 4.47Å
223L95.8Very high89.5Confident54 Ų5460.3 Ų60.328%0.28335%0.349SS..G310 helixtrans-70.4-16.2179.8-61.1173.8000113.4L210 P213 N221 P239 A240 L243L210-L223 HydrophobicContact CD2-CD2 4.44Å; P213-L223 HydrophobicContact CG-CD1 4.15Å; N221-L223 PolarHBondContact O-N 2.63Å; N221-L223 WeakPolarHBondContact OD1-CB 3.37Å; N221-L223 PolarHBondContact OD1-N 3.28Å; N221-L223 VanDerWaalsContact OD1-N 3.07Å; L223-P239 HydrophobicContact CD2-CB 4.21Å; L223-P239 WeakPolarHBondContact O-CB 3.36Å; L223-P239 WeakPolarHBondContact O-CG 3.38Å; L223-A240 HydrophobicContact CD2-CB 3.88Å; L223-L243 HydrophobicContact CD2-CD1 3.9Å
224T95.6Very high90Very high85 Ų8565 Ų6552%0.52137%0.366SS..G310 helixtrans-119.82.8-178.156.60000113.2N221 L222 I229N221-T224 WeakPolarHBondContact CB-OG1 3.29Å; N221-T224 PolarHBondContact O-N 2.91Å; N221-T224 PolarHBondContact O-OG1 3.28Å; L222-T224 PolarHBondContact O-N 3.19Å; T224-I229 WeakPolarHBondContact O-CD1 3.48Å
225E95.6Very high90.7Very high44 Ų4462.7 Ų62.721%0.20634%0.339CS..  trans-66.1129.7178-78-59.1144.800111A220 N221 L222 W227 V228 I229A220-E225 WeakPolarHBondContact CB-OE1 3.37Å; N221-E225 PolarHBondContact O-N 3.02Å; L222-E225 HydrophobicContact CD2-CG 4.49Å; E225-W227 HydrophobicContact CB-CD2 4.25Å; E225-W227 HydrophobicContact CB-CG 4.43Å; E225-W227 HydrophobicContact CB-CZ2 4.01Å; E225-W227 HydrophobicContact CG-CZ2 3.87Å; E225-W227 PolarHBondContact O-N 3.46Å; E225-W227 VanDerWaalsContact O-N 3.15Å; E225-W227 PolarHBondContact OE2-NE1 2.96Å; E225-V228 HydrophobicContact CB-CB 4.29Å; E225-V228 HydrophobicContact CB-CG2 3.92Å; E225-V228 PolarHBondContact O-N 2.97Å; E225-I229 WeakPolarHBondContact O-CG1 3.37Å; E225-I229 PolarHBondContact O-N 3.29Å
226P96.5Very high91.7Very high95 Ų9564 Ų6462%0.61735%0.354SS*.Hα-helixtrans-56.1-35.6-176.9-28.435.3000114S230P226-S230 VanDerWaalsContact O-CB 3.27Å; P226-S230 WeakPolarHBondContact O-CB 3.37Å; P226-S230 PolarHBondContact O-N 3.16Å
227W95.4Very high92.8Very high32 Ų3265.3 Ų65.312%0.12135%0.353CS..Hα-helixtrans-72.3-30.6178.753.4-90.1000112.5A186 L222 E225 I231 L283 N286A186-W227 HydrophobicContact CB-CH2 3.67Å; A186-W227 HydrophobicContact CB-CZ3 4.06Å; L222-W227 HydrophobicContact CD2-CH2 3.55Å; L222-W227 HydrophobicContact CD2-CZ2 3.7Å; E225-W227 HydrophobicContact CB-CD2 4.25Å; E225-W227 HydrophobicContact CB-CG 4.43Å; E225-W227 HydrophobicContact CB-CZ2 4.01Å; E225-W227 HydrophobicContact CG-CZ2 3.87Å; E225-W227 PolarHBondContact O-N 3.46Å; E225-W227 VanDerWaalsContact O-N 3.15Å; E225-W227 PolarHBondContact OE2-NE1 2.96Å; W227-I231 WeakPolarHBondContact O-CD1 3.45Å; W227-I231 VanDerWaalsContact O-CG1 3.29Å; W227-I231 WeakPolarHBondContact O-CG1 3.46Å; W227-I231 PolarHBondContact O-N 2.96Å; W227-L283 HydrophobicContact CE3-CD2 4.46Å; W227-L283 HydrophobicContact CZ3-CD2 3.75Å; W227-L283 HydrophobicContact CZ3-CG 4.35Å; W227-N286 HydrophobicContact CD2-CB 3.78Å; W227-N286 HydrophobicContact CE3-CB 4.11Å; W227-N286 HydrophobicContact CG-CB 4.04Å; W227-N286 HydrophobicContact CZ2-CB 4.46Å
228V98.2Very high94.1Very high0 Ų061.8 Ų61.80%033%0.33CS..Hα-helixtrans-74.3-44.5171.7-1770000110.5L222 E225 S230 I231 A232 P239 I242 L243L222-V228 WeakPolarHBondContact O-CB 3.32Å; L222-V228 WeakPolarHBondContact O-CG2 3.35Å; E225-V228 HydrophobicContact CB-CB 4.29Å; E225-V228 HydrophobicContact CB-CG2 3.92Å; E225-V228 PolarHBondContact O-N 2.97Å; V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.01Å; V228-I231 PolarHBondContact O-N 3.33Å; V228-A232 WeakPolarHBondContact O-CB 3.44Å; V228-A232 PolarHBondContact O-N 3.04Å; V228-P239 HydrophobicContact CG1-CB 3.73Å; V228-I242 HydrophobicContact CG1-CG2 4.48Å; V228-L243 HydrophobicContact CG1-CD1 4.33Å; V228-L243 HydrophobicContact CG1-CD2 4.2Å; V228-L243 HydrophobicContact CG1-CG 4.01Å; V228-L243 HydrophobicContact CG2-CD2 4.11Å
229I98.4Very high95.4Very high58 Ų5854.7 Ų54.730%0.29729%0.294SS..Hα-helixtrans-59.5-43.6178.5-67.6171.7000110.9T224 E225 I231 A232 Q233 P239T224-I229 WeakPolarHBondContact O-CD1 3.48Å; E225-I229 WeakPolarHBondContact O-CG1 3.37Å; E225-I229 PolarHBondContact O-N 3.29Å; I229-I231 VanDerWaalsContact C-N 3.33Å; I229-I231 PolarHBondContact O-N 2.73Å; I229-A232 WeakPolarHBondContact O-CB 3.28Å; I229-A232 PolarHBondContact O-N 3.44Å; I229-A232 VanDerWaalsContact O-N 3.16Å; I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 WeakPolarHBondContact O-CG 3.46Å; I229-Q233 PolarHBondContact O-N 2.87Å; I229-P239 HydrophobicContact CG1-CG 4.24Å
230S98.4Very high96.4Very high46 Ų4652.6 Ų52.632%0.32228%0.281SS..Hα-helixtrans-59-44178.8-1800000111.9P226 V228 K234P226-S230 VanDerWaalsContact O-CB 3.27Å; P226-S230 WeakPolarHBondContact O-CB 3.37Å; P226-S230 PolarHBondContact O-N 3.16Å; V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.01Å; S230-K234 WeakPolarHBondContact O-CG 3.27Å; S230-K234 PolarHBondContact O-N 2.88Å
231I98.7Very high97.3Very high0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-65.3-44.6175.1-61.6171000110.2W227 V228 I229 Q233 K234 H235 I242 L275 E279 Q282 L283W227-I231 WeakPolarHBondContact O-CD1 3.45Å; W227-I231 VanDerWaalsContact O-CG1 3.29Å; W227-I231 WeakPolarHBondContact O-CG1 3.46Å; W227-I231 PolarHBondContact O-N 2.96Å; V228-I231 PolarHBondContact O-N 3.33Å; I229-I231 VanDerWaalsContact C-N 3.33Å; I229-I231 PolarHBondContact O-N 2.73Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.29Å; I231-K234 PolarHBondContact O-N 3.11Å; I231-K234 VanDerWaalsContact O-N 3.16Å; I231-H235 PolarHBondContact O-CD2 3.09Å; I231-H235 PolarHBondContact O-N 2.7Å; I231-I242 HydrophobicContact CB-CG2 4.14Å; I231-I242 HydrophobicContact CG2-CD1 4.11Å; I231-I242 HydrophobicContact CG2-CG1 4.19Å; I231-I242 HydrophobicContact CG2-CG2 3.6Å; I231-L275 HydrophobicContact CG2-CD2 3.72Å; I231-E279 HydrophobicContact CD1-CB 4.07Å; I231-E279 HydrophobicContact CD1-CG 4.27Å; I231-E279 HydrophobicContact CG1-CB 4.38Å; I231-E279 HydrophobicContact CG1-CG 4.05Å; I231-E279 HydrophobicContact CG2-CB 4.26Å; I231-E279 HydrophobicContact CG2-CG 4.1Å; I231-Q282 HydrophobicContact CD1-CB 4.39Å; I231-L283 HydrophobicContact CD1-CD1 4.03Å; I231-L283 HydrophobicContact CD1-CG 3.99Å
232A98.6Very high97.6Very high3 Ų349.1 Ų49.13%0.02526%0.256CS..Hα-helixtrans-57.6-42.7179.600000112.5V228 I229 H235 N236 R237 P239 I242V228-A232 WeakPolarHBondContact O-CB 3.44Å; V228-A232 PolarHBondContact O-N 3.04Å; I229-A232 WeakPolarHBondContact O-CB 3.28Å; I229-A232 PolarHBondContact O-N 3.44Å; I229-A232 VanDerWaalsContact O-N 3.16Å; A232-H235 PolarHBondContact O-N 3.26Å; A232-N236 PolarHBondContact O-N 3.21Å; A232-N236 VanDerWaalsContact O-N 3.08Å; A232-R237 CarbonylContact C-O 3.48Å; A232-R237 WeakPolarHBondContact CB-O 3.43Å; A232-R237 PolarHBondContact O-N 3.37Å; A232-R237 VanDerWaalsContact O-O 3.13Å; A232-P239 HydrophobicContact CB-CG 4.17Å; A232-I242 VanDerWaalsContact CA-CG1 3.48Å; A232-I242 HydrophobicContact CB-CG1 3.69Å
233Q98.4Very high97.8Very high146 Ų14649.1 Ų49.168%0.68226%0.256SS*.Hα-helixtrans-63.4-43176.1-73.2172.8-16.200112.6I229 I231 H235 N236I229-Q233 HydrophobicContact CG2-CG 4.33Å; I229-Q233 WeakPolarHBondContact O-CG 3.46Å; I229-Q233 PolarHBondContact O-N 2.87Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.29Å; Q233-H235 VanDerWaalsContact C-N 3.27Å; Q233-H235 PolarHBondContact O-N 2.88Å; Q233-N236 PolarHBondContact O-N 3.41Å
234K98.3Very high97.9Very high138 Ų13846.5 Ų46.560%0.624%0.243SC*.Hα-helixtrans-61.4-35.2178.8-70.2176.2-173.1179.10112.8S230 I231S230-K234 WeakPolarHBondContact O-CG 3.27Å; S230-K234 PolarHBondContact O-N 2.88Å; I231-K234 PolarHBondContact O-N 3.11Å; I231-K234 VanDerWaalsContact O-N 3.16Å
235H98.4Very high98.1Very high43 Ų4343.8 Ų43.820%0.19922%0.223CC..Hα-helixtrans-90.7-4.6179.4-73.4-80.7000113.9I231 A232 Q233 R237 I242 F273 E274 E279I231-H235 PolarHBondContact O-CD2 3.09Å; I231-H235 PolarHBondContact O-N 2.7Å; A232-H235 PolarHBondContact O-N 3.26Å; Q233-H235 VanDerWaalsContact C-N 3.27Å; Q233-H235 PolarHBondContact O-N 2.88Å; H235-R237 VanDerWaalsContact C-N 3.32Å; H235-R237 HydrophobicContact CB-CB 4.26Å; H235-R237 HydrophobicContact CB-CG 3.95Å; H235-R237 PolarHBondContact O-N 3.31Å; H235-I242 HydrophobicContact CB-CD1 4.1Å; H235-F273 HydrophobicContact CB-CD2 4.33Å; H235-F273 AromaticContact ND1-CD2 3.86Å; H235-E274 PolarHBondContact CE1-O 3.27Å; H235-E279 IonicContact CD2-OE1 2.74Å; H235-E279 IonicContact CD2-OE2 3.77Å; H235-E279 IonicContact CE1-OE2 3.59Å; H235-E279 VanDerWaalsContact NE2-CD 3.26Å; H235-E279 IonicContact NE2-OE1 3.68Å; H235-E279 PolarHBondContact NE2-OE1 3.11Å; H235-E279 IonicContact NE2-OE2 2.77Å; H235-E279 PolarHBondContact NE2-OE2 3.09Å
236N97.9Very high98.2Very high139 Ų13941.7 Ų41.774%0.74321%0.213SC*.THydrogen-bonded Turntrans50.252.9-168.8-169.241.7000111.7A232 Q233A232-N236 PolarHBondContact O-N 3.21Å; A232-N236 VanDerWaalsContact O-N 3.08Å; Q233-N236 PolarHBondContact O-N 3.41Å
237R98.4Very high98.3Very high65 Ų6537.1 Ų37.125%0.24518%0.183CC..  trans-133.9169.5-178.6-68.2-64.7179.9-96.26.2109.9A232 H235 Q241 I242 D272 F273A232-R237 CarbonylContact C-O 3.48Å; A232-R237 WeakPolarHBondContact CB-O 3.43Å; A232-R237 PolarHBondContact O-N 3.37Å; A232-R237 VanDerWaalsContact O-O 3.13Å; H235-R237 VanDerWaalsContact C-N 3.32Å; H235-R237 HydrophobicContact CB-CB 4.26Å; H235-R237 HydrophobicContact CB-CG 3.95Å; H235-R237 PolarHBondContact O-N 3.31Å; R237-Q241 HydrophobicContact CB-CB 4.15Å; R237-Q241 VanDerWaalsContact CD-OE1 3.22Å; R237-I242 HydrophobicContact CB-CD1 3.93Å; R237-D272 IonicContact CZ-OD1 2.66Å; R237-D272 IonicContact CZ-OD2 3.8Å; R237-D272 IonicContact NE-OD1 3.46Å; R237-D272 IonicContact NH2-OD1 3.61Å; R237-D272 PolarHBondContact NH2-OD1 3.32Å; R237-D272 IonicContact NH2-OD2 2.63Å; R237-D272 PolarHBondContact NH2-OD2 3.39Å; R237-F273 HydrophobicContact CB-CZ 4.47Å; R237-F273 HydrophobicContact CG-CD1 3.99Å; R237-F273 HydrophobicContact CG-CD2 4.4Å; R237-F273 HydrophobicContact CG-CE1 3.81Å; R237-F273 HydrophobicContact CG-CE2 4.27Å; R237-F273 HydrophobicContact CG-CG 4.27Å; R237-F273 HydrophobicContact CG-CZ 3.97Å
238T98.4Very high98.5Very high36 Ų3636.1 Ų36.122%0.22118%0.18CC..  trans-85.3156.8173.674.80000111.8A240 Q241 I242 E266T238-A240 PolarHBondContact O-N 3.45Å; T238-A240 PolarHBondContact OG1-N 2.86Å; T238-Q241 WeakPolarHBondContact O-CB 3.45Å; T238-Q241 PolarHBondContact O-N 3.05Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.32Å; T238-Q241 PolarHBondContact OG1-N 3.29Å; T238-I242 WeakPolarHBondContact O-CG1 3.35Å; T238-I242 PolarHBondContact O-N 3.47Å; T238-I242 VanDerWaalsContact O-N 3.09Å; T238-E266 WeakPolarHBondContact CB-OE1 3.32Å; T238-E266 HydrophobicContact CG2-CG 4.03Å; T238-E266 WeakPolarHBondContact CG2-OE2 3.25Å; T238-E266 PolarHBondContact OG1-OE1 2.96Å
239P98.3Very high98.5Very high29 Ų2938.4 Ų38.419%0.18819%0.191CC..Hα-helixtrans-51.5-36.8171-31.538.7000113.5L223 V228 I229 A232 I242 L243L223-P239 HydrophobicContact CD2-CB 4.21Å; L223-P239 WeakPolarHBondContact O-CB 3.36Å; L223-P239 WeakPolarHBondContact O-CG 3.38Å; V228-P239 HydrophobicContact CG1-CB 3.73Å; I229-P239 HydrophobicContact CG1-CG 4.24Å; A232-P239 HydrophobicContact CB-CG 4.17Å; P239-I242 PolarHBondContact O-N 2.88Å; P239-L243 WeakPolarHBondContact O-CB 3.4Å; P239-L243 WeakPolarHBondContact O-CD1 3.39Å; P239-L243 WeakPolarHBondContact O-CG 3.36Å; P239-L243 PolarHBondContact O-N 3.44Å
240A98.3Very high98.5Very high6 Ų637.1 Ų37.15%0.0518%0.182CC..Hα-helixtrans-64.5-44.5177.300000111.8L210 L223 T238 I242 L243 L244L210-A240 HydrophobicContact CD1-CB 4.14Å; L210-A240 HydrophobicContact CD2-CB 3.99Å; L223-A240 HydrophobicContact CD2-CB 3.88Å; T238-A240 PolarHBondContact O-N 3.45Å; T238-A240 PolarHBondContact OG1-N 2.86Å; A240-I242 VanDerWaalsContact C-N 3.34Å; A240-I242 PolarHBondContact O-N 2.93Å; A240-L243 PolarHBondContact O-N 2.85Å; A240-L244 VanDerWaalsContact O-CG 3.27Å; A240-L244 WeakPolarHBondContact O-CG 3.34Å; A240-L244 PolarHBondContact O-N 3.49Å
241Q98.7Very high98.5Very high11 Ų1139.9 Ų39.95%0.05119%0.194CC..Hα-helixtrans-61.3-42.2176.5-69.9174.6-47.200111.9R237 T238 L244 R245 E266 Q269 I270 F273R237-Q241 HydrophobicContact CB-CB 4.15Å; R237-Q241 VanDerWaalsContact CD-OE1 3.22Å; T238-Q241 WeakPolarHBondContact O-CB 3.45Å; T238-Q241 PolarHBondContact O-N 3.05Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.32Å; T238-Q241 PolarHBondContact OG1-N 3.29Å; Q241-L244 PolarHBondContact O-N 3.09Å; Q241-R245 VanDerWaalsContact O-CB 3.24Å; Q241-R245 WeakPolarHBondContact O-CB 3.45Å; Q241-R245 PolarHBondContact O-N 3.24Å; Q241-E266 HydrophobicContact CG-CG 3.78Å; Q241-E266 WeakPolarHBondContact CG-O 3.44Å; Q241-E266 PolarHBondContact NE2-O 2.89Å; Q241-Q269 PolarHBondContact NE2-O 2.84Å; Q241-I270 HydrophobicContact CB-CG2 3.87Å; Q241-I270 HydrophobicContact CG-CG2 3.86Å; Q241-F273 HydrophobicContact CB-CE1 4.36Å; Q241-F273 HydrophobicContact CB-CZ 4.15Å
242I98.8Very high98.5Very high0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-60-48.9175.5-60.8-47.2000111.1V228 I231 A232 H235 R237 T238 P239 A240 L244 R245 Y246 F273 L275 L283V228-I242 HydrophobicContact CG1-CG2 4.48Å; I231-I242 HydrophobicContact CB-CG2 4.14Å; I231-I242 HydrophobicContact CG2-CD1 4.11Å; I231-I242 HydrophobicContact CG2-CG1 4.19Å; I231-I242 HydrophobicContact CG2-CG2 3.6Å; A232-I242 VanDerWaalsContact CA-CG1 3.48Å; A232-I242 HydrophobicContact CB-CG1 3.69Å; H235-I242 HydrophobicContact CB-CD1 4.1Å; R237-I242 HydrophobicContact CB-CD1 3.93Å; T238-I242 WeakPolarHBondContact O-CG1 3.35Å; T238-I242 PolarHBondContact O-N 3.47Å; T238-I242 VanDerWaalsContact O-N 3.09Å; P239-I242 PolarHBondContact O-N 2.88Å; A240-I242 VanDerWaalsContact C-N 3.34Å; A240-I242 PolarHBondContact O-N 2.93Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 3.29Å; I242-R245 PolarHBondContact O-N 2.88Å; I242-Y246 VanDerWaalsContact O-CB 3.27Å; I242-Y246 WeakPolarHBondContact O-CB 3.4Å; I242-Y246 PolarHBondContact O-N 3.36Å; I242-F273 HydrophobicContact CD1-CE2 3.67Å; I242-F273 HydrophobicContact CD1-CZ 4.1Å; I242-L275 HydrophobicContact CD1-CD2 4.03Å; I242-L275 HydrophobicContact CG2-CD1 4.45Å; I242-L275 HydrophobicContact CG2-CD2 4.11Å; I242-L283 HydrophobicContact CG2-CD1 4.1Å; I242-L283 HydrophobicContact CG2-CD2 4.26Å
243L98.7Very high98.5Very high1 Ų139.8 Ų39.81%0.00519%0.193CC..Hα-helixtrans-65.1-35.2-178.4-68166.5000112.7A186 L210 L222 L223 V228 P239 A240 Y246 L283A186-L243 HydrophobicContact CB-CD2 3.7Å; L210-L243 HydrophobicContact CD2-CB 3.89Å; L210-L243 HydrophobicContact CD2-CD1 4.14Å; L222-L243 HydrophobicContact CB-CD1 3.67Å; L222-L243 HydrophobicContact CB-CD2 4.22Å; L222-L243 HydrophobicContact CD1-CD2 4.25Å; L222-L243 HydrophobicContact CD2-CD2 4.47Å; L223-L243 HydrophobicContact CD2-CD1 3.9Å; V228-L243 HydrophobicContact CG1-CD1 4.33Å; V228-L243 HydrophobicContact CG1-CD2 4.2Å; V228-L243 HydrophobicContact CG1-CG 4.01Å; V228-L243 HydrophobicContact CG2-CD2 4.11Å; P239-L243 WeakPolarHBondContact O-CB 3.4Å; P239-L243 WeakPolarHBondContact O-CD1 3.39Å; P239-L243 WeakPolarHBondContact O-CG 3.36Å; P239-L243 PolarHBondContact O-N 3.44Å; A240-L243 PolarHBondContact O-N 2.85Å; L243-Y246 WeakPolarHBondContact O-CB 3.5Å; L243-L283 HydrophobicContact CD2-CD2 4.1Å
244L98.8Very high98.5Very high0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-74.4-43.8175.3-64.3171.9000111.4P209 L210 A240 Q241 I242 Y246 L247 L248 V254 P256 N267 I270P209-L244 HydrophobicContact CB-CD2 3.81Å; P209-L244 HydrophobicContact CG-CD2 3.74Å; L210-L244 HydrophobicContact CD2-CD2 4.09Å; L210-L244 HydrophobicContact CD2-CG 3.97Å; A240-L244 VanDerWaalsContact O-CG 3.27Å; A240-L244 WeakPolarHBondContact O-CG 3.34Å; A240-L244 PolarHBondContact O-N 3.49Å; Q241-L244 PolarHBondContact O-N 3.09Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 3.29Å; L244-Y246 VanDerWaalsContact C-N 3.28Å; L244-Y246 PolarHBondContact O-N 3.34Å; L244-L247 PolarHBondContact O-N 3.29Å; L244-L247 VanDerWaalsContact O-N 3.15Å; L244-L248 PolarHBondContact O-N 2.67Å; L244-L248 VanDerWaalsContact O-N 3.09Å; L244-V254 HydrophobicContact CD2-CB 3.93Å; L244-V254 HydrophobicContact CD2-CG1 4.27Å; L244-V254 HydrophobicContact CD2-CG2 3.87Å; L244-P256 HydrophobicContact CD1-CG 4.14Å; L244-P256 HydrophobicContact CD2-CB 4.09Å; L244-P256 HydrophobicContact CD2-CG 3.92Å; L244-N267 HydrophobicContact CD1-CB 3.7Å; L244-N267 WeakPolarHBondContact CD1-OD1 3.07Å; L244-I270 HydrophobicContact CB-CD1 3.58Å; L244-I270 HydrophobicContact CB-CG2 4.3Å; L244-I270 HydrophobicContact CD1-CD1 4.41Å
245R98.6Very high98.5Very high27 Ų2726.5 Ų26.510%0.10213%0.133CC..Hα-helixtrans-60.4-40.5177.5178.263.6-166.9-160.8-4.7111.9Q241 I242 L247 L248 Q249 I270 F273 L275Q241-R245 VanDerWaalsContact O-CB 3.24Å; Q241-R245 WeakPolarHBondContact O-CB 3.45Å; Q241-R245 PolarHBondContact O-N 3.24Å; I242-R245 PolarHBondContact O-N 2.88Å; R245-L247 VanDerWaalsContact C-N 3.31Å; R245-L247 PolarHBondContact O-N 3.23Å; R245-L248 PolarHBondContact O-N 2.93Å; R245-Q249 PolarHBondContact O-N 3.03Å; R245-I270 VanDerWaalsContact CD-O 3.3Å; R245-I270 WeakPolarHBondContact CD-O 3.14Å; R245-I270 PolarHBondContact NH1-O 2.77Å; R245-F273 HydrophobicContact CB-CE1 4.4Å; R245-F273 HydrophobicContact CB-CE2 3.74Å; R245-F273 HydrophobicContact CB-CZ 3.54Å; R245-F273 HydrophobicContact CG-CD2 4.21Å; R245-F273 HydrophobicContact CG-CE2 3.64Å; R245-F273 HydrophobicContact CG-CZ 3.86Å; R245-F273 PolarHBondContact NE-O 2.93Å; R245-F273 PolarHBondContact NH1-O 3.14Å; R245-F273 PolarHBondContact NH2-O 2.84Å; R245-L275 HydrophobicContact CB-CD1 4.39Å; R245-L275 HydrophobicContact CG-CD1 4.19Å; R245-L275 HydrophobicContact CG-CG 4Å
246Y98.7Very high98.5Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-49.3-49.4172.1163-115000112.6A186 I242 L243 L244 Q249 R250 M280 L283 N284A186-Y246 HydrophobicContact CB-CE1 4.3Å; I242-Y246 VanDerWaalsContact O-CB 3.27Å; I242-Y246 WeakPolarHBondContact O-CB 3.4Å; I242-Y246 PolarHBondContact O-N 3.36Å; L243-Y246 WeakPolarHBondContact O-CB 3.5Å; L244-Y246 VanDerWaalsContact C-N 3.28Å; L244-Y246 PolarHBondContact O-N 3.34Å; Y246-Q249 PolarHBondContact O-N 2.9Å; Y246-R250 HydrophobicContact CE2-CG 4.33Å; Y246-R250 VanDerWaalsContact CZ-CD 3.48Å; Y246-R250 PolarHBondContact O-N 3.4Å; Y246-R250 WeakPolarHBondContact OH-CD 3.44Å; Y246-R250 PolarHBondContact OH-NH1 2.98Å; Y246-M280 HydrophobicContact CD2-CE 3.7Å; Y246-M280 HydrophobicContact CD2-SD 3.85Å; Y246-M280 HydrophobicContact CE2-CE 4.08Å; Y246-L283 HydrophobicContact CD2-CB 3.52Å; Y246-L283 HydrophobicContact CD2-CD1 4Å; Y246-L283 HydrophobicContact CD2-CG 4.27Å; Y246-L283 HydrophobicContact CE2-CB 3.67Å; Y246-L283 HydrophobicContact CG-CB 4.01Å; Y246-L283 HydrophobicContact CG-CD1 4.16Å; Y246-L283 HydrophobicContact CG-CD2 4.36Å; Y246-L283 HydrophobicContact CG-CG 4.42Å; Y246-N284 VanDerWaalsContact CE2-OD1 3.23Å; Y246-N284 WeakPolarHBondContact CE2-OD1 3.07Å; Y246-N284 PolarHBondContact OH-OD1 2.93Å
247L98.8Very high98.4Very high0 Ų021.8 Ų21.80%011%0.106CC..Hα-helixtrans-70-39.8-180-63.8171.4000111.5V184 A206 P209 L244 R245 Q249 R250 I252 V254V184-L247 HydrophobicContact CB-CD2 4.29Å; V184-L247 HydrophobicContact CG1-CD2 3.66Å; A206-L247 HydrophobicContact CB-CD1 3.81Å; P209-L247 HydrophobicContact CB-CD1 3.33Å; L244-L247 PolarHBondContact O-N 3.29Å; L244-L247 VanDerWaalsContact O-N 3.15Å; R245-L247 VanDerWaalsContact C-N 3.31Å; R245-L247 PolarHBondContact O-N 3.23Å; L247-Q249 VanDerWaalsContact C-N 3.25Å; L247-Q249 PolarHBondContact O-N 3.44Å; L247-R250 WeakPolarHBondContact O-CA 3.46Å; L247-R250 WeakPolarHBondContact O-CB 3.22Å; L247-R250 PolarHBondContact O-N 3.24Å; L247-I252 CarbonylContact C-O 3.59Å; L247-I252 HydrophobicContact CB-CB 4.34Å; L247-I252 HydrophobicContact CD2-CD1 4.18Å; L247-I252 WeakPolarHBondContact O-CB 3.15Å; L247-I252 PolarHBondContact O-N 3.5Å; L247-I252 VanDerWaalsContact O-N 3.14Å; L247-V254 HydrophobicContact CB-CG1 3.46Å; L247-V254 VanDerWaalsContact CB-CG1 3.46Å; L247-V254 HydrophobicContact CD1-CG1 3.6Å; L247-V254 HydrophobicContact CG-CG1 4.17Å
248L98.5Very high98.3Very high11 Ų1119 Ų196%0.05810%0.096CC..Hα-helixtrans-60.4-35.2175.2-65.1-164.5000112.6V14 V15 L244 R245 R250 D251 I252 V254 I270 F271V14-L248 HydrophobicContact CB-CD2 3.86Å; V14-L248 HydrophobicContact CG2-CD1 4.09Å; V14-L248 HydrophobicContact CG2-CD2 3.88Å; V14-L248 WeakPolarHBondContact O-CD2 3.47Å; V15-L248 HydrophobicContact CG2-CD1 4.28Å; L244-L248 PolarHBondContact O-N 2.67Å; L244-L248 VanDerWaalsContact O-N 3.09Å; R245-L248 PolarHBondContact O-N 2.93Å; L248-R250 PolarHBondContact O-N 3.24Å; L248-D251 PolarHBondContact O-N 2.62Å; L248-I252 WeakPolarHBondContact CD2-O 3.28Å; L248-V254 HydrophobicContact CD2-CG1 4.35Å; L248-V254 HydrophobicContact CD2-CG2 4.14Å; L248-I270 HydrophobicContact CD1-CD1 3.51Å; L248-I270 HydrophobicContact CD1-CG1 3.87Å; L248-I270 HydrophobicContact CG-CD1 4.09Å; L248-F271 HydrophobicContact CD1-CD1 4.32Å; L248-F271 HydrophobicContact CD1-CE1 3.89Å
249Q98.4Very high98.2Very high47 Ų4720.5 Ų20.522%0.2210%0.102CC..THydrogen-bonded Turntrans-75.4-6.8175.5-84.9178.9-124.100114.2R245 Y246 L247 E274 L275 M280R245-Q249 PolarHBondContact O-N 3.03Å; Y246-Q249 PolarHBondContact O-N 2.9Å; L247-Q249 VanDerWaalsContact C-N 3.25Å; L247-Q249 PolarHBondContact O-N 3.44Å; Q249-E274 HydrophobicContact CG-CG 4.5Å; Q249-L275 PolarHBondContact NE2-O 3.31Å; Q249-M280 HydrophobicContact CB-CE 3.63Å; Q249-M280 HydrophobicContact CB-SD 3.91Å
250R98.3Very high98.1Very high31 Ų3121.2 Ų21.212%0.11711%0.106CC..THydrogen-bonded Turntrans-99.512.6169.9-66.5178.258.9-155.7-7.3112.4P189 Q198 Y246 L247 L248 I252 M280P189-R250 PolarHBondContact O-NH1 3.47Å; P189-R250 PolarHBondContact O-NH2 3.28Å; Q198-R250 PolarHBondContact NE2-O 3.3Å; Y246-R250 HydrophobicContact CE2-CG 4.33Å; Y246-R250 VanDerWaalsContact CZ-CD 3.48Å; Y246-R250 PolarHBondContact O-N 3.4Å; Y246-R250 WeakPolarHBondContact OH-CD 3.44Å; Y246-R250 PolarHBondContact OH-NH1 2.98Å; L247-R250 WeakPolarHBondContact O-CA 3.46Å; L247-R250 WeakPolarHBondContact O-CB 3.22Å; L247-R250 PolarHBondContact O-N 3.24Å; L248-R250 PolarHBondContact O-N 3.24Å; R250-I252 VanDerWaalsContact C-N 3.28Å; R250-I252 HydrophobicContact CB-CD1 3.77Å; R250-I252 HydrophobicContact CB-CG1 3.99Å; R250-I252 PolarHBondContact O-N 3.47Å; R250-M280 HydrophobicContact CG-CE 3.85Å
251D98.3Very high98.1Very high105 Ų10524.9 Ų24.956%0.56113%0.125SC*.THydrogen-bonded Turntrans56.741-173.4-61.2-48.4000113M4 Q198 L248M4-D251 WeakPolarHBondContact CE-O 3.14Å; Q198-D251 PolarHBondContact NE2-O 3.27Å; Q198-D251 VanDerWaalsContact NE2-O 3.13Å; L248-D251 PolarHBondContact O-N 2.62Å
252I98.8Very high98Very high0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-115128.4177.9-56.6171.3000108.7V184 V194 V204 A206 L247 L248 R250V184-I252 HydrophobicContact CG1-CD1 4.03Å; V194-I252 HydrophobicContact CG1-CD1 3.79Å; V194-I252 HydrophobicContact CG1-CG1 4.03Å; V194-I252 HydrophobicContact CG2-CD1 4.16Å; V204-I252 HydrophobicContact CB-CG1 4.35Å; V204-I252 HydrophobicContact CB-CG2 4.34Å; V204-I252 HydrophobicContact CG1-CG1 4.41Å; V204-I252 HydrophobicContact CG1-CG2 3.99Å; A206-I252 HydrophobicContact CB-CG2 3.68Å; L247-I252 CarbonylContact C-O 3.59Å; L247-I252 HydrophobicContact CB-CB 4.34Å; L247-I252 HydrophobicContact CD2-CD1 4.18Å; L247-I252 WeakPolarHBondContact O-CB 3.15Å; L247-I252 PolarHBondContact O-N 3.5Å; L247-I252 VanDerWaalsContact O-N 3.14Å; L248-I252 WeakPolarHBondContact CD2-O 3.28Å; R250-I252 VanDerWaalsContact C-N 3.28Å; R250-I252 HydrophobicContact CB-CD1 3.77Å; R250-I252 HydrophobicContact CB-CG1 3.99Å; R250-I252 PolarHBondContact O-N 3.47Å
253T98.8Very high98Very high0 Ų036.7 Ų36.70%018%0.178CC..EExtended strand (participates in β ladder)trans-76.4151.6170.175.10000110.5M4 I12 V14 V204 T205 A206M4-T253 HydrophobicContact CE-CG2 3.39Å; M4-T253 HydrophobicContact SD-CG2 3.67Å; I12-T253 HydrophobicContact CD1-CG2 4.44Å; I12-T253 HydrophobicContact CG1-CG2 4.4Å; I12-T253 HydrophobicContact CG2-CG2 3.93Å; V14-T253 HydrophobicContact CB-CG2 4.31Å; V14-T253 HydrophobicContact CG1-CG2 4.38Å; V14-T253 CarbonylContact O-C 3.5Å; V14-T253 VanDerWaalsContact O-CA 3.24Å; V14-T253 WeakPolarHBondContact O-CA 3.37Å; V14-T253 WeakPolarHBondContact O-CB 3.18Å; V204-T253 PolarHBondContact O-N 3.2Å; V204-T253 PolarHBondContact O-OG1 2.66Å; T205-T253 CarbonylContact C-O 3.6Å; T205-T253 WeakPolarHBondContact CA-O 3.35Å; T205-T253 WeakPolarHBondContact CA-OG1 3.41Å; T205-T253 WeakPolarHBondContact CB-OG1 3.39Å; T205-T253 WeakPolarHBondContact CG2-OG1 3.29Å; T205-T253 PolarHBondContact OG1-OG1 3.46Å; A206-T253 PolarHBondContact N-O 3.32Å
254V98.8Very high98Very high0 Ų036.7 Ų36.70%018%0.178CC..EExtended strand (participates in β ladder)trans-123.4139.2-174.1-63.10000111.6V14 V15 G16 A206 P209 L244 L247 L248 P256V14-V254 PolarHBondContact O-N 3.33Å; V15-V254 CarbonylContact C-O 3.53Å; V15-V254 WeakPolarHBondContact CA-O 3.39Å; V15-V254 HydrophobicContact CB-CG2 4.31Å; V15-V254 HydrophobicContact CG1-CG2 4.12Å; V15-V254 HydrophobicContact CG2-CG2 4Å; G16-V254 PolarHBondContact N-O 3.12Å; A206-V254 HydrophobicContact CB-CG1 4.45Å; P209-V254 HydrophobicContact CB-CB 4.29Å; P209-V254 HydrophobicContact CB-CG1 4.27Å; P209-V254 HydrophobicContact CG-CB 4.34Å; L244-V254 HydrophobicContact CD2-CB 3.93Å; L244-V254 HydrophobicContact CD2-CG1 4.27Å; L244-V254 HydrophobicContact CD2-CG2 3.87Å; L247-V254 HydrophobicContact CB-CG1 3.46Å; L247-V254 VanDerWaalsContact CB-CG1 3.46Å; L247-V254 HydrophobicContact CD1-CG1 3.6Å; L247-V254 HydrophobicContact CG-CG1 4.17Å; L248-V254 HydrophobicContact CD2-CG1 4.35Å; L248-V254 HydrophobicContact CD2-CG2 4.14Å; V254-P256 VanDerWaalsContact C-CD 3.42Å; V254-P256 WeakPolarHBondContact O-CD 3.31Å
255V98.6Very high97.9Very high6 Ų639.3 Ų39.34%0.03619%0.191CC..  trans-12363.9177-670000112.1G16 D43 T205 A206 K257G16-V255 WeakPolarHBondContact O-CA 3.37Å; D43-V255 HydrophobicContact CB-CB 3.95Å; D43-V255 HydrophobicContact CB-CG1 3.71Å; D43-V255 HydrophobicContact CB-CG2 4.36Å; T205-V255 HydrophobicContact CG2-CG1 3.78Å; T205-V255 HydrophobicContact CG2-CG2 3.99Å; A206-V255 WeakPolarHBondContact O-CG2 3.4Å; A206-V255 PolarHBondContact O-N 2.9Å; A206-V255 VanDerWaalsContact O-N 3.17Å; V255-K257 PolarHBondContact O-N 3.19Å
256P97.8Very high97.9Very high3 Ų340.4 Ų40.42%0.01920%0.197CC..  trans-62.9136.2175.927.9-35.1000111.1G16 G18 P209 L210 L244 V254 N267G16-P256 WeakPolarHBondContact O-CD 3.38Å; G18-P256 PolarHBondContact N-O 3.44Å; P209-P256 HydrophobicContact CG-CB 4Å; L210-P256 HydrophobicContact CD1-CB 4.47Å; L244-P256 HydrophobicContact CD1-CG 4.14Å; L244-P256 HydrophobicContact CD2-CB 4.09Å; L244-P256 HydrophobicContact CD2-CG 3.92Å; V254-P256 VanDerWaalsContact C-CD 3.42Å; V254-P256 WeakPolarHBondContact O-CD 3.31Å; P256-N267 HydrophobicContact CG-CB 4.25Å
257K95.9Very high97.9Very high79 Ų7940.7 Ų40.734%0.34320%0.199SC..  trans-87.1133.7168.8-175-96.5-70.9-149.50110.8G18 W20 N21 S22 V255G18-K257 VanDerWaalsContact O-CA 3.31Å; G18-K257 WeakPolarHBondContact O-CA 3.5Å; G18-K257 VanDerWaalsContact O-CB 3.27Å; G18-K257 WeakPolarHBondContact O-CB 3.25Å; G18-K257 WeakPolarHBondContact O-CG 3.47Å; W20-K257 WeakPolarHBondContact O-CE 3.5Å; W20-K257 WeakPolarHBondContact O-CG 3.49Å; N21-K257 PolarHBondContact O-NZ 2.94Å; S22-K257 WeakPolarHBondContact OG-CG 3.31Å; V255-K257 PolarHBondContact O-N 3.19Å
258S95.9Very high97.8Very high6 Ų642.4 Ų42.44%0.04221%0.206CC..  trans-149.5146.3164.5-177.30000110.3T260 R263S258-T260 PolarHBondContact OG-N 2.83Å; S258-T260 PolarHBondContact OG-O 3.11Å; S258-T260 VanDerWaalsContact OG-O 3.13Å; S258-R263 VanDerWaalsContact OG-CB 3.27Å; S258-R263 WeakPolarHBondContact OG-CB 3.26Å
259I95.8Very high97.8Very high69 Ų6946.8 Ų46.835%0.35423%0.226SC..  trans-114.45.116759.5166.7000111.3V26 A30V26-I259 HydrophobicContact CG2-CB 4.27Å; V26-I259 HydrophobicContact CG2-CD1 3.82Å; V26-I259 HydrophobicContact CG2-CG2 3.96Å; A30-I259 HydrophobicContact CB-CB 4.44Å; A30-I259 HydrophobicContact CB-CG2 4.18Å
260T96.3Very high97.7Very high44 Ų4444.5 Ų44.527%0.2722%0.216SC..SBendtrans-102.2125.4178.9-54.80000109.3S258 D262 R263 I264S258-T260 PolarHBondContact OG-N 2.83Å; S258-T260 PolarHBondContact OG-O 3.11Å; S258-T260 VanDerWaalsContact OG-O 3.13Å; T260-D262 VanDerWaalsContact C-N 3.35Å; T260-D262 PolarHBondContact O-N 3.11Å; T260-R263 PolarHBondContact O-N 3.11Å; T260-R263 PolarHBondContact OG1-NE 3.34Å; T260-R263 PolarHBondContact OG1-NH2 3.49Å; T260-I264 WeakPolarHBondContact O-CG1 3.38Å; T260-I264 PolarHBondContact O-N 2.83Å
261N97.7Very high97.7Very high82 Ų8246.4 Ų46.444%0.43923%0.225SC..Hα-helixtrans-52.1-49.3-177.7-70.4-7.1000112.8K33 R263 I264 I265K33-N261 HydrophobicContact CG-CB 4.3Å; N261-R263 VanDerWaalsContact C-N 3.33Å; N261-R263 PolarHBondContact O-N 3.07Å; N261-I264 WeakPolarHBondContact O-CB 3.29Å; N261-I264 PolarHBondContact O-N 3.07Å; N261-I264 VanDerWaalsContact O-N 3.12Å; N261-I265 WeakPolarHBondContact O-CG1 3.4Å; N261-I265 PolarHBondContact O-N 3.08Å
262D98Very high97.6Very high118 Ų11846.9 Ų46.963%0.63123%0.228SC*.Hα-helixtrans-60.7-43.4-178.1-59.8-20.7000111.8T260 I264 I265 E266T260-D262 VanDerWaalsContact C-N 3.35Å; T260-D262 PolarHBondContact O-N 3.11Å; D262-I264 PolarHBondContact O-N 3.42Å; D262-I265 PolarHBondContact O-N 2.89Å; D262-E266 VanDerWaalsContact O-CB 3.24Å; D262-E266 WeakPolarHBondContact O-CB 3.47Å; D262-E266 PolarHBondContact O-N 3.47Å
263R97.6Very high97.6Very high142 Ų14248 Ų4854%0.53623%0.232SC..Hα-helixtrans-67.4-33.8176.7-76.7-178.4-92-177.9-6.4112.6S258 T260 N261 N267S258-R263 VanDerWaalsContact OG-CB 3.27Å; S258-R263 WeakPolarHBondContact OG-CB 3.26Å; T260-R263 PolarHBondContact O-N 3.11Å; T260-R263 PolarHBondContact OG1-NE 3.34Å; T260-R263 PolarHBondContact OG1-NH2 3.49Å; N261-R263 VanDerWaalsContact C-N 3.33Å; N261-R263 PolarHBondContact O-N 3.07Å; R263-N267 WeakPolarHBondContact O-CB 3.28Å; R263-N267 PolarHBondContact O-N 3Å; R263-N267 PolarHBondContact O-ND2 3.12Å; R263-N267 VanDerWaalsContact O-ND2 3.09Å
264I98.4Very high97.5Very high1 Ų154.1 Ų54.11%0.00526%0.261CS..Hα-helixtrans-65-44.6174.4-67.8167.7000110L17 A30 K33 A34 V37 Y39 T260 N261 D262 F268L17-I264 HydrophobicContact CD1-CG1 4.43Å; A30-I264 HydrophobicContact CB-CD1 4.05Å; K33-I264 HydrophobicContact CB-CD1 4.15Å; K33-I264 HydrophobicContact CG-CB 4.46Å; K33-I264 HydrophobicContact CG-CD1 4.22Å; K33-I264 HydrophobicContact CG-CG2 4.22Å; A34-I264 HydrophobicContact CB-CG2 4Å; V37-I264 HydrophobicContact CG2-CG2 4.42Å; Y39-I264 HydrophobicContact CD2-CG2 4.42Å; Y39-I264 HydrophobicContact CE2-CG2 3.88Å; Y39-I264 WeakPolarHBondContact CE2-O 3.49Å; Y39-I264 PolarHBondContact OH-O 3Å; T260-I264 WeakPolarHBondContact O-CG1 3.38Å; T260-I264 PolarHBondContact O-N 2.83Å; N261-I264 WeakPolarHBondContact O-CB 3.29Å; N261-I264 PolarHBondContact O-N 3.07Å; N261-I264 VanDerWaalsContact O-N 3.12Å; D262-I264 PolarHBondContact O-N 3.42Å; I264-F268 PolarHBondContact O-N 3.42Å
265I98.4Very high97.5Very high54 Ų5454.3 Ų54.328%0.27726%0.262SS..Hα-helixtrans-63-50.9176.7-64.7162.4000110.3V37 N261 D262 N267 F268 Q269V37-I265 HydrophobicContact CG2-CG1 3.6Å; N261-I265 WeakPolarHBondContact O-CG1 3.4Å; N261-I265 PolarHBondContact O-N 3.08Å; D262-I265 PolarHBondContact O-N 2.89Å; I265-N267 PolarHBondContact O-N 3.46Å; I265-F268 WeakPolarHBondContact O-CB 3.37Å; I265-F268 PolarHBondContact O-N 3.28Å; I265-F268 VanDerWaalsContact O-N 3.14Å; I265-Q269 WeakPolarHBondContact O-CG 3.47Å; I265-Q269 PolarHBondContact O-N 3.11Å
266E97.8Very high97.5Very high51 Ų5157.5 Ų57.524%0.23828%0.282CS..Hα-helixtrans-59.1-47.2-177.9-179.7-175.9114.800112.3T238 Q241 D262 F268 Q269T238-E266 WeakPolarHBondContact CB-OE1 3.32Å; T238-E266 HydrophobicContact CG2-CG 4.03Å; T238-E266 WeakPolarHBondContact CG2-OE2 3.25Å; T238-E266 PolarHBondContact OG1-OE1 2.96Å; Q241-E266 HydrophobicContact CG-CG 3.78Å; Q241-E266 WeakPolarHBondContact CG-O 3.44Å; Q241-E266 PolarHBondContact NE2-O 2.89Å; D262-E266 VanDerWaalsContact O-CB 3.24Å; D262-E266 WeakPolarHBondContact O-CB 3.47Å; D262-E266 PolarHBondContact O-N 3.47Å; E266-F268 PolarHBondContact O-N 2.98Å; E266-F268 VanDerWaalsContact O-N 3.14Å; E266-Q269 PolarHBondContact O-N 3.48Å
267N98.1Very high97.6Very high5 Ų564.1 Ų64.13%0.02732%0.317CS..Hα-helixtrans-62.5-20.9179.6-72.9-21.3000113.1Y39 L244 P256 R263 I265Y39-N267 WeakPolarHBondContact OH-CB 3.38Å; L244-N267 HydrophobicContact CD1-CB 3.7Å; L244-N267 WeakPolarHBondContact CD1-OD1 3.07Å; P256-N267 HydrophobicContact CG-CB 4.25Å; R263-N267 WeakPolarHBondContact O-CB 3.28Å; R263-N267 PolarHBondContact O-N 3Å; R263-N267 PolarHBondContact O-ND2 3.12Å; R263-N267 VanDerWaalsContact O-ND2 3.09Å; I265-N267 PolarHBondContact O-N 3.46Å
268F97.9Very high97.7Very high36 Ų3666.1 Ų66.116%0.15833%0.331CS..Hα-helixtrans-84.9-25.8176.5-163.7-112.8000113M1 V37 G38 Y39 I264 I265 E266 I270 F271M1-F268 HydrophobicContact CE-CE2 3.77Å; M1-F268 HydrophobicContact SD-CE2 4.11Å; V37-F268 HydrophobicContact CG1-CB 3.71Å; V37-F268 HydrophobicContact CG1-CD1 3.58Å; V37-F268 HydrophobicContact CG1-CE1 4.32Å; V37-F268 HydrophobicContact CG1-CG 3.7Å; V37-F268 WeakPolarHBondContact O-CE1 3.45Å; G38-F268 VanDerWaalsContact C-CZ 3.43Å; G38-F268 WeakPolarHBondContact O-CZ 3.19Å; Y39-F268 HydrophobicContact CD1-CD2 4.47Å; Y39-F268 HydrophobicContact CD2-CB 4.42Å; Y39-F268 AromaticContact CD2-CD2 3.61Å; Y39-F268 HydrophobicContact CD2-CD2 3.61Å; Y39-F268 HydrophobicContact CD2-CE2 4.12Å; Y39-F268 HydrophobicContact CD2-CG 4.18Å; Y39-F268 HydrophobicContact CE1-CD2 4.39Å; Y39-F268 HydrophobicContact CE2-CB 3.62Å; Y39-F268 AromaticContact CE2-CD2 3.52Å; Y39-F268 HydrophobicContact CE2-CD2 3.52Å; Y39-F268 HydrophobicContact CE2-CE2 4.46Å; Y39-F268 AromaticContact CE2-CG 3.85Å; Y39-F268 HydrophobicContact CE2-CG 3.85Å; Y39-F268 HydrophobicContact CG-CD2 4.09Å; Y39-F268 HydrophobicContact CG-CE2 4.32Å; Y39-F268 AromaticContact CZ-CD2 3.9Å; Y39-F268 PolarHBondContact OH-N 3.24Å; I264-F268 PolarHBondContact O-N 3.42Å; I265-F268 WeakPolarHBondContact O-CB 3.37Å; I265-F268 PolarHBondContact O-N 3.28Å; I265-F268 VanDerWaalsContact O-N 3.14Å; E266-F268 PolarHBondContact O-N 2.98Å; E266-F268 VanDerWaalsContact O-N 3.14Å; F268-I270 PolarHBondContact O-N 2.85Å; F268-F271 HydrophobicContact CD2-CE2 4.45Å; F268-F271 HydrophobicContact CE2-CE2 4.35Å; F268-F271 HydrophobicContact CZ-CE2 4.49Å; F268-F271 VanDerWaalsContact O-CD2 3.31Å; F268-F271 WeakPolarHBondContact O-CD2 3.44Å; F268-F271 WeakPolarHBondContact O-CE2 3.29Å
269Q97.4Very high97.8Very high103 Ų10366.3 Ų66.348%0.48133%0.331SS..  trans-84.160.4-175.6-69.1174-19.800111.7Q241 I265 E266Q241-Q269 PolarHBondContact NE2-O 2.84Å; I265-Q269 WeakPolarHBondContact O-CG 3.47Å; I265-Q269 PolarHBondContact O-N 3.11Å; E266-Q269 PolarHBondContact O-N 3.48Å
270I98Very high98Very high0 Ų064 Ų640%032%0.319CS..  trans-125.516.2-174.663.2174.5000114.2V15 Q241 L244 R245 L248 F268 F273V15-I270 HydrophobicContact CG2-CD1 3.8Å; V15-I270 HydrophobicContact CG2-CG1 4.36Å; Q241-I270 HydrophobicContact CB-CG2 3.87Å; Q241-I270 HydrophobicContact CG-CG2 3.86Å; L244-I270 HydrophobicContact CB-CD1 3.58Å; L244-I270 HydrophobicContact CB-CG2 4.3Å; L244-I270 HydrophobicContact CD1-CD1 4.41Å; R245-I270 VanDerWaalsContact CD-O 3.3Å; R245-I270 WeakPolarHBondContact CD-O 3.14Å; R245-I270 PolarHBondContact NH1-O 2.77Å; L248-I270 HydrophobicContact CD1-CD1 3.51Å; L248-I270 HydrophobicContact CD1-CG1 3.87Å; L248-I270 HydrophobicContact CG-CD1 4.09Å; F268-I270 PolarHBondContact O-N 2.85Å; I270-F273 HydrophobicContact CB-CE1 4.41Å
271F97.5Very high98.1Very high71 Ų7167.4 Ų67.431%0.31133%0.332SS..SBendtrans-103.4-16.5-174.2-58.6-68.7000113.9K2 V14 V15 L248 F268K2-F271 HydrophobicContact CB-CD1 4.33Å; K2-F271 HydrophobicContact CB-CE1 3.99Å; V14-F271 HydrophobicContact CG2-CE1 3.71Å; V14-F271 HydrophobicContact CG2-CZ 4.21Å; V15-F271 HydrophobicContact CG2-CE1 4.26Å; V15-F271 HydrophobicContact CG2-CZ 3.66Å; L248-F271 HydrophobicContact CD1-CD1 4.32Å; L248-F271 HydrophobicContact CD1-CE1 3.89Å; F268-F271 HydrophobicContact CD2-CE2 4.45Å; F268-F271 HydrophobicContact CE2-CE2 4.35Å; F268-F271 HydrophobicContact CZ-CE2 4.49Å; F268-F271 VanDerWaalsContact O-CD2 3.31Å; F268-F271 WeakPolarHBondContact O-CD2 3.44Å; F268-F271 WeakPolarHBondContact O-CE2 3.29Å
272D96.3Very high98.1Very high114 Ų11466 Ų6661%0.6132%0.323SS*.SBendtrans-101.212.5-168.769.8-17.7000114.4R237R237-D272 IonicContact CZ-OD1 2.66Å; R237-D272 IonicContact CZ-OD2 3.8Å; R237-D272 IonicContact NE-OD1 3.46Å; R237-D272 IonicContact NH2-OD1 3.61Å; R237-D272 PolarHBondContact NH2-OD1 3.32Å; R237-D272 IonicContact NH2-OD2 2.63Å; R237-D272 PolarHBondContact NH2-OD2 3.39Å
273F97.9Very high98.1Very high23 Ų2360.4 Ų60.410%0.10129%0.293CS..  trans-146.1165.3173.272.4-80.2000110.7H235 R237 Q241 I242 R245 I270 L275H235-F273 HydrophobicContact CB-CD2 4.33Å; H235-F273 AromaticContact ND1-CD2 3.86Å; R237-F273 HydrophobicContact CB-CZ 4.47Å; R237-F273 HydrophobicContact CG-CD1 3.99Å; R237-F273 HydrophobicContact CG-CD2 4.4Å; R237-F273 HydrophobicContact CG-CE1 3.81Å; R237-F273 HydrophobicContact CG-CE2 4.27Å; R237-F273 HydrophobicContact CG-CG 4.27Å; R237-F273 HydrophobicContact CG-CZ 3.97Å; Q241-F273 HydrophobicContact CB-CE1 4.36Å; Q241-F273 HydrophobicContact CB-CZ 4.15Å; I242-F273 HydrophobicContact CD1-CE2 3.67Å; I242-F273 HydrophobicContact CD1-CZ 4.1Å; R245-F273 HydrophobicContact CB-CE1 4.4Å; R245-F273 HydrophobicContact CB-CE2 3.74Å; R245-F273 HydrophobicContact CB-CZ 3.54Å; R245-F273 HydrophobicContact CG-CD2 4.21Å; R245-F273 HydrophobicContact CG-CE2 3.64Å; R245-F273 HydrophobicContact CG-CZ 3.86Å; R245-F273 PolarHBondContact NE-O 2.93Å; R245-F273 PolarHBondContact NH1-O 3.14Å; R245-F273 PolarHBondContact NH2-O 2.84Å; I270-F273 HydrophobicContact CB-CE1 4.41Å; F273-L275 HydrophobicContact CE2-CD2 4.19Å
274E98.4Very high98.1Very high130 Ų13056.5 Ų56.561%0.60728%0.283SS*.  trans-138.3137.1178.7-171.7170.5-168.100110.3H235 Q249H235-E274 PolarHBondContact CE1-O 3.27Å; Q249-E274 HydrophobicContact CG-CG 4.5Å
275L98.7Very high98Very high4 Ų460 Ų602%0.02131%0.305CS..  trans-78.2136.9174.1-59.2172.7000109.9I231 I242 R245 Q249 F273 E279 M280 L283I231-L275 HydrophobicContact CG2-CD2 3.72Å; I242-L275 HydrophobicContact CD1-CD2 4.03Å; I242-L275 HydrophobicContact CG2-CD1 4.45Å; I242-L275 HydrophobicContact CG2-CD2 4.11Å; R245-L275 HydrophobicContact CB-CD1 4.39Å; R245-L275 HydrophobicContact CG-CD1 4.19Å; R245-L275 HydrophobicContact CG-CG 4Å; Q249-L275 PolarHBondContact NE2-O 3.31Å; F273-L275 HydrophobicContact CE2-CD2 4.19Å; L275-E279 HydrophobicContact CB-CB 4.31Å; L275-M280 HydrophobicContact CB-CG 4Å; L275-M280 HydrophobicContact CB-SD 3.82Å; L275-M280 HydrophobicContact CD1-SD 3.71Å; L275-M280 HydrophobicContact CG-SD 4.41Å; L275-L283 HydrophobicContact CD1-CD1 3.62Å
276T98.6Very high97.9Very high72 Ų7261 Ų6144%0.44231%0.311SS..  trans-68.1161.9175.262.20000111.9D278 E279 M280T276-D278 PolarHBondContact O-N 2.8Å; T276-E279 PolarHBondContact N-OE2 3.4Å; T276-E279 PolarHBondContact O-N 3.06Å; T276-E279 VanDerWaalsContact O-N 3.11Å; T276-E279 WeakPolarHBondContact OG1-CG 3.42Å; T276-E279 PolarHBondContact OG1-N 3.2Å; T276-E279 PolarHBondContact OG1-OE2 3.18Å; T276-M280 WeakPolarHBondContact O-CG 3.22Å; T276-M280 PolarHBondContact O-N 3.12Å
277N98.5Very high97.7Very high143 Ų14359.3 Ų59.377%0.76531%0.307SS*.Hα-helixtrans-56.1-38175.9-70.1-19.6000112.6M280 H281N277-M280 PolarHBondContact O-N 2.97Å; N277-H281 WeakPolarHBondContact O-CB 3.39Å; N277-H281 PolarHBondContact O-N 3.29Å
278D98.6Very high97.4Very high121 Ų12163.4 Ų63.465%0.64733%0.328SS*.Hα-helixtrans-69.3-35.5178.5-68.7-13.9000112.3T276 Q282T276-D278 PolarHBondContact O-N 2.8Å; D278-Q282 WeakPolarHBondContact O-CG 3.27Å; D278-Q282 PolarHBondContact O-N 3.28Å; D278-Q282 PolarHBondContact O-NE2 3.13Å; D278-Q282 VanDerWaalsContact O-NE2 3.11Å
279E98.7Very high97.2Very high9 Ų967 Ų674%0.04235%0.349CS..Hα-helixtrans-72-43.4175.7-68.6166.5149.300110.7I231 H235 L275 T276 H281 Q282 L283I231-E279 HydrophobicContact CD1-CB 4.07Å; I231-E279 HydrophobicContact CD1-CG 4.27Å; I231-E279 HydrophobicContact CG1-CB 4.38Å; I231-E279 HydrophobicContact CG1-CG 4.05Å; I231-E279 HydrophobicContact CG2-CB 4.26Å; I231-E279 HydrophobicContact CG2-CG 4.1Å; H235-E279 IonicContact CD2-OE1 2.74Å; H235-E279 IonicContact CD2-OE2 3.77Å; H235-E279 IonicContact CE1-OE2 3.59Å; H235-E279 VanDerWaalsContact NE2-CD 3.26Å; H235-E279 IonicContact NE2-OE1 3.68Å; H235-E279 PolarHBondContact NE2-OE1 3.11Å; H235-E279 IonicContact NE2-OE2 2.77Å; H235-E279 PolarHBondContact NE2-OE2 3.09Å; L275-E279 HydrophobicContact CB-CB 4.31Å; T276-E279 PolarHBondContact N-OE2 3.4Å; T276-E279 PolarHBondContact O-N 3.06Å; T276-E279 VanDerWaalsContact O-N 3.11Å; T276-E279 WeakPolarHBondContact OG1-CG 3.42Å; T276-E279 PolarHBondContact OG1-N 3.2Å; T276-E279 PolarHBondContact OG1-OE2 3.18Å; E279-H281 VanDerWaalsContact C-N 3.27Å; E279-H281 PolarHBondContact O-N 2.71Å; E279-Q282 WeakPolarHBondContact O-CB 3.3Å; E279-Q282 PolarHBondContact O-N 3.21Å; E279-L283 WeakPolarHBondContact O-CD1 3.25Å; E279-L283 WeakPolarHBondContact O-CG 3.49Å; E279-L283 PolarHBondContact O-N 3.33Å
280M98.6Very high97Very high20 Ų2067.7 Ų67.710%0.09935%0.352CS..Hα-helixtrans-57.8-41.8172-69.5-61.6-66.600111.2Y246 Q249 R250 L275 T276 N277 L283 N284Y246-M280 HydrophobicContact CD2-CE 3.7Å; Y246-M280 HydrophobicContact CD2-SD 3.85Å; Y246-M280 HydrophobicContact CE2-CE 4.08Å; Q249-M280 HydrophobicContact CB-CE 3.63Å; Q249-M280 HydrophobicContact CB-SD 3.91Å; R250-M280 HydrophobicContact CG-CE 3.85Å; L275-M280 HydrophobicContact CB-CG 4Å; L275-M280 HydrophobicContact CB-SD 3.82Å; L275-M280 HydrophobicContact CD1-SD 3.71Å; L275-M280 HydrophobicContact CG-SD 4.41Å; T276-M280 WeakPolarHBondContact O-CG 3.22Å; T276-M280 PolarHBondContact O-N 3.12Å; N277-M280 PolarHBondContact O-N 2.97Å; M280-L283 PolarHBondContact O-N 3.41Å; M280-N284 WeakPolarHBondContact O-CB 3.29Å; M280-N284 VanDerWaalsContact O-CG 3.24Å; M280-N284 PolarHBondContact O-N 3.44Å; M280-N284 PolarHBondContact O-ND2 3.44Å
281H98.3Very high96.7Very high117 Ų11769.5 Ų69.554%0.54236%0.359SS..Hα-helixtrans-60.6-49.8174.4-177.473.4000111.5N277 E279 L283 N284 T285N277-H281 WeakPolarHBondContact O-CB 3.39Å; N277-H281 PolarHBondContact O-N 3.29Å; E279-H281 VanDerWaalsContact C-N 3.27Å; E279-H281 PolarHBondContact O-N 2.71Å; H281-L283 VanDerWaalsContact C-N 3.34Å; H281-L283 PolarHBondContact O-N 2.92Å; H281-N284 WeakPolarHBondContact O-CB 3.39Å; H281-N284 PolarHBondContact O-N 2.86Å; H281-N284 VanDerWaalsContact O-N 3.09Å; H281-T285 PolarHBondContact O-N 3.48Å; H281-T285 VanDerWaalsContact O-N 3.1Å; H281-T285 PolarHBondContact O-OG1 3.04Å
282Q98.1Very high96.5Very high53 Ų5368.1 Ų68.125%0.24835%0.353CS..Hα-helixtrans-57.3-44.1176.6-75.716975.900112.7I231 D278 E279 N284 T285 N286I231-Q282 HydrophobicContact CD1-CB 4.39Å; D278-Q282 WeakPolarHBondContact O-CG 3.27Å; D278-Q282 PolarHBondContact O-N 3.28Å; D278-Q282 PolarHBondContact O-NE2 3.13Å; D278-Q282 VanDerWaalsContact O-NE2 3.11Å; E279-Q282 WeakPolarHBondContact O-CB 3.3Å; E279-Q282 PolarHBondContact O-N 3.21Å; Q282-N284 VanDerWaalsContact C-N 3.25Å; Q282-N284 PolarHBondContact O-N 3.38Å; Q282-T285 PolarHBondContact O-N 2.89Å; Q282-N286 VanDerWaalsContact O-CB 3.26Å; Q282-N286 WeakPolarHBondContact O-CB 3.48Å; Q282-N286 PolarHBondContact O-N 2.91Å
283L98.1Very high96.3Very high0 Ų063.1 Ų63.10%033%0.326CS..Hα-helixtrans-66.5-26.8178.3-75.5151.1000112.9A186 W227 I231 I242 L243 Y246 L275 E279 M280 H281A186-L283 HydrophobicContact CB-CD2 4.11Å; W227-L283 HydrophobicContact CE3-CD2 4.46Å; W227-L283 HydrophobicContact CZ3-CD2 3.75Å; W227-L283 HydrophobicContact CZ3-CG 4.35Å; I231-L283 HydrophobicContact CD1-CD1 4.03Å; I231-L283 HydrophobicContact CD1-CG 3.99Å; I242-L283 HydrophobicContact CG2-CD1 4.1Å; I242-L283 HydrophobicContact CG2-CD2 4.26Å; L243-L283 HydrophobicContact CD2-CD2 4.1Å; Y246-L283 HydrophobicContact CD2-CB 3.52Å; Y246-L283 HydrophobicContact CD2-CD1 4Å; Y246-L283 HydrophobicContact CD2-CG 4.27Å; Y246-L283 HydrophobicContact CE2-CB 3.67Å; Y246-L283 HydrophobicContact CG-CB 4.01Å; Y246-L283 HydrophobicContact CG-CD1 4.16Å; Y246-L283 HydrophobicContact CG-CD2 4.36Å; Y246-L283 HydrophobicContact CG-CG 4.42Å; L275-L283 HydrophobicContact CD1-CD1 3.62Å; E279-L283 WeakPolarHBondContact O-CD1 3.25Å; E279-L283 WeakPolarHBondContact O-CG 3.49Å; E279-L283 PolarHBondContact O-N 3.33Å; M280-L283 PolarHBondContact O-N 3.41Å; H281-L283 VanDerWaalsContact C-N 3.34Å; H281-L283 PolarHBondContact O-N 2.92Å
284N97.2Very high96.1Very high59 Ų5967.3 Ų67.332%0.31634%0.344SS..Hα-helixtrans-80.9-25.4175.8-76.5-37000113.6Y246 M280 H281 Q282Y246-N284 VanDerWaalsContact CE2-OD1 3.23Å; Y246-N284 WeakPolarHBondContact CE2-OD1 3.07Å; Y246-N284 PolarHBondContact OH-OD1 2.93Å; M280-N284 WeakPolarHBondContact O-CB 3.29Å; M280-N284 VanDerWaalsContact O-CG 3.24Å; M280-N284 PolarHBondContact O-N 3.44Å; M280-N284 PolarHBondContact O-ND2 3.44Å; H281-N284 WeakPolarHBondContact O-CB 3.39Å; H281-N284 PolarHBondContact O-N 2.86Å; H281-N284 VanDerWaalsContact O-N 3.09Å; Q282-N284 VanDerWaalsContact C-N 3.25Å; Q282-N284 PolarHBondContact O-N 3.38Å
285T96.6Very high95.9Very high76 Ų7663.9 Ų63.947%0.46633%0.328SS..Hα-helixtrans-118.3-25.7-167.157.80000115H281 Q282H281-T285 PolarHBondContact O-N 3.48Å; H281-T285 VanDerWaalsContact O-N 3.1Å; H281-T285 PolarHBondContact O-OG1 3.04Å; Q282-T285 PolarHBondContact O-N 2.89Å
286N96.4Very high95.7Very high75 Ų7568.8 Ų68.840%0.40135%0.354SS..SBendtrans-80.9-18.9-175.4-69.42.5000113.8W227 Q282W227-N286 HydrophobicContact CD2-CB 3.78Å; W227-N286 HydrophobicContact CE3-CB 4.11Å; W227-N286 HydrophobicContact CG-CB 4.04Å; W227-N286 HydrophobicContact CZ2-CB 4.46Å; Q282-N286 VanDerWaalsContact O-CB 3.26Å; Q282-N286 WeakPolarHBondContact O-CB 3.48Å; Q282-N286 PolarHBondContact O-N 2.91Å
287G93.2Very high95.4Very high15 Ų1567.7 Ų67.716%0.15536%0.357CS..SBendtrans-71.3164.217900000113.1A186 N187 N289A186-G287 WeakPolarHBondContact O-CA 3.35Å; N187-G287 VanDerWaalsContact OD1-CA 3.29Å; N187-G287 WeakPolarHBondContact OD1-CA 3.5Å; G287-N289 PolarHBondContact O-N 2.85Å; G287-N289 VanDerWaalsContact O-N 3.08Å
288L92.6Very high95.3Very high91 Ų9161.8 Ų61.848%0.47633%0.325SS..  trans-65.4-14.7-176.1-62.4176.8000114.9N187 A220 Q290N187-L288 PolarHBondContact OD1-N 2.85Å; N187-L288 VanDerWaalsContact OD1-N 3.16Å; A220-L288 HydrophobicContact CB-CD1 3.85Å; L288-Q290 VanDerWaalsContact C-N 3.33Å; L288-Q290 HydrophobicContact CB-CB 4.31Å; L288-Q290 HydrophobicContact CB-CG 4.24Å; L288-Q290 WeakPolarHBondContact O-CG 3.22Å; L288-Q290 PolarHBondContact O-N 3.07Å
289N93.3Very high95.2Very high111 Ų11159.1 Ų59.159%0.59431%0.311SS*.  trans5147.4-170.5-165.634.2000113.3N187 G287N187-N289 CarbonylContact O-C 3.3Å; N187-N289 VanDerWaalsContact O-CA 3.22Å; N187-N289 WeakPolarHBondContact O-CA 3.06Å; N187-N289 PolarHBondContact O-N 3.2Å; G287-N289 PolarHBondContact O-N 2.85Å; G287-N289 VanDerWaalsContact O-N 3.08Å
290Q92.5Very high95Very high118 Ų11865 Ų6555%0.55134%0.342SS*.  trans-128.9125.5-175.1-74.3177.223.500112.7N187 F188 L288 K292N187-Q290 PolarHBondContact O-N 3.01Å; F188-Q290 WeakPolarHBondContact CB-O 3.3Å; L288-Q290 VanDerWaalsContact C-N 3.33Å; L288-Q290 HydrophobicContact CB-CB 4.31Å; L288-Q290 HydrophobicContact CB-CG 4.24Å; L288-Q290 WeakPolarHBondContact O-CG 3.22Å; L288-Q290 PolarHBondContact O-N 3.07Å; Q290-K292 PolarHBondContact O-N 2.71Å
291R93.3Very high94.9Very high38 Ų3864.2 Ų64.214%0.14334%0.338CS..  trans-61.8127.1168.7-173.3-177.5-63.1-74.22.1110.9E183 F188 K294 F306E183-R291 WeakPolarHBondContact OE2-CG 3.37Å; F188-R291 HydrophobicContact CD1-CB 4.34Å; F188-R291 HydrophobicContact CD2-CB 4.41Å; F188-R291 HydrophobicContact CE1-CB 4.06Å; F188-R291 HydrophobicContact CE1-CG 4.2Å; F188-R291 HydrophobicContact CE2-CB 4.14Å; F188-R291 HydrophobicContact CZ-CB 3.97Å; F188-R291 HydrophobicContact CZ-CG 4.47Å; R291-K294 WeakPolarHBondContact O-CE 3.32Å; R291-F306 VanDerWaalsContact CZ-CD1 3.41Å
292K92Very high94.8Very high42 Ų4262.8 Ų62.818%0.18334%0.339CS..SBendtrans-88.8-40.2176.1-171.5167.3-177.9150.80112E183 G211 S212 S216 S219 Q290 K294E183-K292 WeakPolarHBondContact OE1-CA 3.24Å; E183-K292 WeakPolarHBondContact OE1-CB 3.27Å; E183-K292 PolarHBondContact OE1-N 3.18Å; E183-K292 PolarHBondContact OE2-N 2.77Å; G211-K292 VanDerWaalsContact O-CD 3.3Å; G211-K292 WeakPolarHBondContact O-CD 3.49Å; G211-K292 WeakPolarHBondContact O-CE 3.43Å; G211-K292 PolarHBondContact O-NZ 2.66Å; S212-K292 WeakPolarHBondContact O-CE 3.42Å; S212-K292 PolarHBondContact O-NZ 2.99Å; S216-K292 VanDerWaalsContact CB-CE 3.44Å; S216-K292 WeakPolarHBondContact OG-CE 3.38Å; S219-K292 PolarHBondContact OG-NZ 3.02Å; Q290-K292 PolarHBondContact O-N 2.71Å; K292-K294 PolarHBondContact O-N 3.48Å; K292-K294 VanDerWaalsContact O-N 3.15Å
293F93.2Very high94.7Very high9 Ų962.3 Ų62.34%0.03934%0.337CS..  trans-90.973-177.5-64.7-104.5000110.4W20 E183 Y207 A208 S212 M295 F306W20-F293 HydrophobicContact CH2-CE1 4.05Å; W20-F293 HydrophobicContact CZ3-CE1 4.14Å; W20-F293 HydrophobicContact CZ3-CZ 4.27Å; E183-F293 HydrophobicContact CG-CD2 4.09Å; E183-F293 WeakPolarHBondContact OE2-CB 3.32Å; E183-F293 WeakPolarHBondContact OE2-CD2 3.45Å; E183-F293 PolarHBondContact OE2-N 3.29Å; Y207-F293 HydrophobicContact CE2-CB 4.41Å; Y207-F293 HydrophobicContact CE2-CD1 4.46Å; Y207-F293 AromaticContact CE2-CD2 3.86Å; Y207-F293 HydrophobicContact CE2-CD2 3.86Å; Y207-F293 HydrophobicContact CE2-CE2 4.19Å; Y207-F293 HydrophobicContact CE2-CG 4.01Å; A208-F293 HydrophobicContact CB-CD2 4.48Å; A208-F293 HydrophobicContact CB-CE2 3.51Å; A208-F293 HydrophobicContact CB-CZ 3.91Å; S212-F293 WeakPolarHBondContact OG-CZ 3.28Å; F293-M295 HydrophobicContact CB-CE 4.28Å; F293-M295 HydrophobicContact CD1-CE 4.09Å; F293-F306 VanDerWaalsContact O-CE2 3.28Å; F293-F306 WeakPolarHBondContact O-CE2 3.49Å
294K93.9Very high94.7Very high110 Ų11062.9 Ų62.948%0.47834%0.339SS..  trans-73.2-28.5-178-60.5-174.4-175.9-177.30113.8R291 K292 L296 Y304 F306R291-K294 WeakPolarHBondContact O-CE 3.32Å; K292-K294 PolarHBondContact O-N 3.48Å; K292-K294 VanDerWaalsContact O-N 3.15Å; K294-L296 VanDerWaalsContact C-N 3.3Å; K294-L296 HydrophobicContact CB-CD2 4.02Å; K294-L296 HydrophobicContact CB-CG 3.97Å; K294-L296 PolarHBondContact O-N 2.94Å; K294-Y304 WeakPolarHBondContact O-CE2 3.25Å; K294-Y304 PolarHBondContact O-OH 3.04Å; K294-F306 WeakPolarHBondContact O-CD2 3.45Å
295M93.5Very high94.7Very high58 Ų5860.1 Ų60.129%0.28633%0.325SS..  trans51.744.4-178.8-51.1-50.7-163.200114F111 F293 G297 M298F111-M295 HydrophobicContact CE2-CG 3.95Å; F111-M295 HydrophobicContact CZ-CB 4.23Å; F111-M295 HydrophobicContact CZ-CG 4.14Å; F293-M295 HydrophobicContact CB-CE 4.28Å; F293-M295 HydrophobicContact CD1-CE 4.09Å; M295-G297 PolarHBondContact O-N 3.49Å; M295-M298 HydrophobicContact CB-CE 4.44Å; M295-M298 HydrophobicContact CB-SD 3.98Å; M295-M298 WeakPolarHBondContact O-CB 3.48Å; M295-M298 PolarHBondContact O-N 2.81Å
296L94.3Very high94.7Very high107 Ų10758.3 Ų58.356%0.5631%0.31SS*.G310 helixtrans-58.2-23.5-171.7-67.1179.4000115.2K294 M298 I299K294-L296 VanDerWaalsContact C-N 3.3Å; K294-L296 HydrophobicContact CB-CD2 4.02Å; K294-L296 HydrophobicContact CB-CG 3.97Å; K294-L296 PolarHBondContact O-N 2.94Å; L296-M298 PolarHBondContact O-N 2.75Å; L296-M298 VanDerWaalsContact O-N 3.11Å; L296-I299 HydrophobicContact CD2-CD1 4.33Å; L296-I299 VanDerWaalsContact O-CB 3.29Å; L296-I299 WeakPolarHBondContact O-CB 3.49Å; L296-I299 VanDerWaalsContact O-CG2 3.22Å; L296-I299 WeakPolarHBondContact O-CG2 3.45Å; L296-I299 PolarHBondContact O-N 3.08Å; L296-I299 VanDerWaalsContact O-N 3.08Å
297G93.6Very high94.6Very high50 Ų5060.7 Ų60.752%0.51532%0.317SS..G310 helixtrans-62.2-15.517400000113.8P130 M295P130-G297 WeakPolarHBondContact CG-O 3.28Å; M295-G297 PolarHBondContact O-N 3.49Å
298M95.4Very high94.4Very high18 Ų1863.7 Ų63.79%0.08933%0.327CS..G310 helixtrans-98.12178.2-59.5169.8-168.100112.9H80 F111 V113 F115 M295 L296 D300 H301 Y304H80-M298 VanDerWaalsContact CE1-CE 3.44Å; H80-M298 WeakPolarHBondContact CE1-CE 3.38Å; H80-M298 WeakPolarHBondContact NE2-CE 3.25Å; F111-M298 HydrophobicContact CD1-SD 4.02Å; F111-M298 HydrophobicContact CE1-SD 3.87Å; F111-M298 HydrophobicContact CZ-SD 4.27Å; V113-M298 HydrophobicContact CB-SD 4.37Å; V113-M298 HydrophobicContact CG1-CB 4.19Å; V113-M298 HydrophobicContact CG1-CG 4.18Å; V113-M298 HydrophobicContact CG1-SD 4.34Å; V113-M298 HydrophobicContact CG2-CB 4.32Å; F115-M298 HydrophobicContact CE1-CE 4.39Å; F115-M298 HydrophobicContact CE1-CG 3.98Å; F115-M298 HydrophobicContact CE2-CE 4.42Å; F115-M298 HydrophobicContact CZ-CE 3.68Å; F115-M298 HydrophobicContact CZ-CG 3.92Å; F115-M298 HydrophobicContact CZ-SD 4.36Å; M295-M298 HydrophobicContact CB-CE 4.44Å; M295-M298 HydrophobicContact CB-SD 3.98Å; M295-M298 WeakPolarHBondContact O-CB 3.48Å; M295-M298 PolarHBondContact O-N 2.81Å; L296-M298 PolarHBondContact O-N 2.75Å; L296-M298 VanDerWaalsContact O-N 3.11Å; M298-D300 PolarHBondContact O-N 3.14Å; M298-D300 VanDerWaalsContact O-N 3.12Å; M298-H301 WeakPolarHBondContact O-CB 3.48Å; M298-H301 PolarHBondContact O-N 3.43Å; M298-Y304 HydrophobicContact CB-CD2 3.85Å; M298-Y304 HydrophobicContact CB-CE2 4.4Å; M298-Y304 WeakPolarHBondContact O-CB 2.97Å
299I96.1Very high93.8Very high66 Ų6666.1 Ų66.134%0.33834%0.341SS..THydrogen-bonded Turntrans-60.4-29.1-166.7-165167.8000113.3L296 H301 Y304 K307L296-I299 HydrophobicContact CD2-CD1 4.33Å; L296-I299 VanDerWaalsContact O-CB 3.29Å; L296-I299 WeakPolarHBondContact O-CB 3.49Å; L296-I299 VanDerWaalsContact O-CG2 3.22Å; L296-I299 WeakPolarHBondContact O-CG2 3.45Å; L296-I299 PolarHBondContact O-N 3.08Å; L296-I299 VanDerWaalsContact O-N 3.08Å; I299-H301 VanDerWaalsContact C-N 3.31Å; I299-H301 PolarHBondContact O-N 3.31Å; I299-Y304 HydrophobicContact CG1-CD1 4.21Å; I299-Y304 HydrophobicContact CG1-CE1 4.03Å; I299-K307 WeakPolarHBondContact O-CE 3.47Å; I299-K307 PolarHBondContact O-NZ 3.23Å
300D94.8Very high93.5Very high131 Ų13163.9 Ų63.970%0.70132%0.324SS*.THydrogen-bonded Turntrans-82.1-9.8-177.5-62-43.6000113.5F132 M298F132-D300 HydrophobicContact CE2-CB 4.15Å; M298-D300 PolarHBondContact O-N 3.14Å; M298-D300 VanDerWaalsContact O-N 3.12Å
301H96.8Very high93.5Very high4 Ų461.2 Ų61.22%0.01931%0.313CS..SBendtrans-68.8137.3174.5-167.6-81.8000111V113 S114 F132 D133 M298 I299 E303 Y304V113-H301 HydrophobicContact CG1-CB 3.89Å; V113-H301 HydrophobicContact CG2-CB 4.13Å; S114-H301 PolarHBondContact N-NE2 3.04Å; S114-H301 PolarHBondContact O-NE2 3.33Å; S114-H301 PolarHBondContact OG-NE2 2.8Å; F132-H301 HydrophobicContact CD1-CB 4.12Å; F132-H301 AromaticContact CD1-CD2 3.68Å; F132-H301 HydrophobicContact CD2-CB 4.33Å; F132-H301 HydrophobicContact CE1-CB 4.13Å; F132-H301 HydrophobicContact CE2-CB 4.33Å; F132-H301 HydrophobicContact CG-CB 4.24Å; F132-H301 AromaticContact CG-CD2 3.66Å; F132-H301 HydrophobicContact CZ-CB 4.25Å; D133-H301 PolarHBondContact O-NE2 3.43Å; M298-H301 WeakPolarHBondContact O-CB 3.48Å; M298-H301 PolarHBondContact O-N 3.43Å; I299-H301 VanDerWaalsContact C-N 3.31Å; I299-H301 PolarHBondContact O-N 3.31Å; H301-E303 VanDerWaalsContact C-N 3.28Å; H301-E303 WeakPolarHBondContact ND1-CB 3.46Å; H301-E303 PolarHBondContact ND1-N 2.86Å; H301-E303 PolarHBondContact O-N 2.95Å; H301-Y304 VanDerWaalsContact O-CB 3.3Å; H301-Y304 WeakPolarHBondContact O-CB 3.47Å; H301-Y304 PolarHBondContact O-N 3.43Å
302P95.5Very high93.5Very high87 Ų8762.4 Ų62.457%0.56532%0.322SS*.THydrogen-bonded Turntrans-58.1-36.9178.4-26.735.2000114Y304P302-Y304 VanDerWaalsContact C-N 3.32Å; P302-Y304 PolarHBondContact O-N 3.34Å
303E97.3Very high93.6Very high44 Ų4463.6 Ų63.621%0.20633%0.33CS..THydrogen-bonded Turntrans-88.517.4175.7-62.7-56135.400114.9P112 L137 R164 Q165 H301 P305P112-E303 HydrophobicContact CB-CB 4.42Å; P112-E303 WeakPolarHBondContact CG-O 2.92Å; P112-E303 WeakPolarHBondContact O-CB 3.42Å; L137-E303 HydrophobicContact CD1-CG 4.08Å; L137-E303 WeakPolarHBondContact CD1-OE2 3.37Å; L137-E303 HydrophobicContact CG-CG 4.21Å; R164-E303 IonicContact NH2-OE1 3.19Å; R164-E303 PolarHBondContact NH2-OE1 2.87Å; R164-E303 IonicContact NH2-OE2 2.65Å; R164-E303 PolarHBondContact NH2-OE2 3.39Å; R164-E303 VanDerWaalsContact NH2-OE2 3.08Å; Q165-E303 VanDerWaalsContact CG-OE2 3.32Å; Q165-E303 WeakPolarHBondContact CG-OE2 3.23Å; Q165-E303 PolarHBondContact NE2-O 2.98Å; Q165-E303 PolarHBondContact NE2-OE2 2.65Å; H301-E303 VanDerWaalsContact C-N 3.28Å; H301-E303 WeakPolarHBondContact ND1-CB 3.46Å; H301-E303 PolarHBondContact ND1-N 2.86Å; H301-E303 PolarHBondContact O-N 2.95Å; E303-P305 VanDerWaalsContact O-CD 3.27Å; E303-P305 WeakPolarHBondContact O-CD 3.08Å; E303-P305 VanDerWaalsContact O-N 3.15Å
304Y97.8Very high93.7Very high11 Ų1166.8 Ų66.84%0.04335%0.347CS..  trans-64.1115.6169.6175.1-99.2000110.2K294 M298 I299 H301 P302 F306 K307K294-Y304 WeakPolarHBondContact O-CE2 3.25Å; K294-Y304 PolarHBondContact O-OH 3.04Å; M298-Y304 HydrophobicContact CB-CD2 3.85Å; M298-Y304 HydrophobicContact CB-CE2 4.4Å; M298-Y304 WeakPolarHBondContact O-CB 2.97Å; I299-Y304 HydrophobicContact CG1-CD1 4.21Å; I299-Y304 HydrophobicContact CG1-CE1 4.03Å; H301-Y304 VanDerWaalsContact O-CB 3.3Å; H301-Y304 WeakPolarHBondContact O-CB 3.47Å; H301-Y304 PolarHBondContact O-N 3.43Å; P302-Y304 VanDerWaalsContact C-N 3.32Å; P302-Y304 PolarHBondContact O-N 3.34Å; Y304-F306 HydrophobicContact CE1-CB 3.78Å; Y304-F306 HydrophobicContact CE2-CD2 4.01Å; Y304-F306 AromaticContact CZ-CD2 3.94Å; Y304-F306 PolarHBondContact O-N 3.19Å; Y304-K307 HydrophobicContact CD1-CB 4.46Å; Y304-K307 HydrophobicContact CD1-CD 4.17Å; Y304-K307 HydrophobicContact CD1-CG 3.81Å; Y304-K307 HydrophobicContact CE1-CG 4.15Å
305P97.4Very high93.6Very high2 Ų264.1 Ų64.11%0.01334%0.339CS..G310 helixtrans-75.4-23.7-162.426.8-33.2000113.6F111 P112 N160 N162 E303 K307F111-P305 HydrophobicContact CD1-CG 4.44Å; F111-P305 HydrophobicContact CE1-CG 3.57Å; F111-P305 HydrophobicContact CZ-CG 3.66Å; P112-P305 HydrophobicContact CG-CB 3.97Å; P112-P305 HydrophobicContact CG-CG 3.88Å; N160-P305 WeakPolarHBondContact O-CB 3.3Å; N160-P305 WeakPolarHBondContact O-CG 3.46Å; N162-P305 HydrophobicContact CB-CB 4.19Å; N162-P305 PolarHBondContact ND2-O 3.13Å; E303-P305 VanDerWaalsContact O-CD 3.27Å; E303-P305 WeakPolarHBondContact O-CD 3.08Å; E303-P305 VanDerWaalsContact O-N 3.15Å; P305-K307 PolarHBondContact O-N 3.15Å
306F96.8Very high93.6Very high37 Ų3764.5 Ų64.516%0.16234%0.342CS..G310 helixtrans-97.816.7-165.4-46.4-40.3000114.2F111 N160 R291 F293 K294 Y304 E308F111-F306 AromaticContact CE2-CE2 3.96Å; F111-F306 HydrophobicContact CE2-CE2 3.96Å; F111-F306 AromaticContact CE2-CZ 3.93Å; F111-F306 HydrophobicContact CE2-CZ 3.93Å; F111-F306 HydrophobicContact CZ-CD2 4.35Å; F111-F306 AromaticContact CZ-CE2 3.56Å; F111-F306 HydrophobicContact CZ-CE2 3.56Å; F111-F306 AromaticContact CZ-CZ 3.78Å; F111-F306 HydrophobicContact CZ-CZ 3.78Å; N160-F306 HydrophobicContact CB-CE1 4.46Å; N160-F306 HydrophobicContact CB-CZ 4.03Å; R291-F306 VanDerWaalsContact CZ-CD1 3.41Å; F293-F306 VanDerWaalsContact O-CE2 3.28Å; F293-F306 WeakPolarHBondContact O-CE2 3.49Å; K294-F306 WeakPolarHBondContact O-CD2 3.45Å; Y304-F306 HydrophobicContact CE1-CB 3.78Å; Y304-F306 HydrophobicContact CE2-CD2 4.01Å; Y304-F306 AromaticContact CZ-CD2 3.94Å; Y304-F306 PolarHBondContact O-N 3.19Å; F306-E308 VanDerWaalsContact C-N 3.35Å
307K93.5Very high93.6Very high125 Ų12561.4 Ų61.454%0.54333%0.327SS..G310 helixtrans-77.8-24.5164.5-82.7166.4-174.5173.50112.1I299 Y304 P305I299-K307 WeakPolarHBondContact O-CE 3.47Å; I299-K307 PolarHBondContact O-NZ 3.23Å; Y304-K307 HydrophobicContact CD1-CB 4.46Å; Y304-K307 HydrophobicContact CD1-CD 4.17Å; Y304-K307 HydrophobicContact CD1-CG 3.81Å; Y304-K307 HydrophobicContact CE1-CG 4.15Å; P305-K307 PolarHBondContact O-N 3.15Å
308E89.8Confident93.6Very high78 Ų7862.3 Ų62.336%0.36431%0.312SS..SBendtrans-98160.2-178.7-61.7175.3-112.800110.9N162 R164 F306 Y310N162-E308 VanDerWaalsContact ND2-CD 3.3Å; N162-E308 PolarHBondContact ND2-OE1 3.1Å; R164-E308 WeakPolarHBondContact CB-OE2 3.43Å; R164-E308 IonicContact CZ-OE1 3.08Å; R164-E308 IonicContact NE-OE1 3.76Å; R164-E308 PolarHBondContact NE-OE1 2.81Å; R164-E308 IonicContact NE-OE2 2.88Å; R164-E308 IonicContact NH2-OE1 3.49Å; F306-E308 VanDerWaalsContact C-N 3.35Å; E308-Y310 PolarHBondContact O-N 3.4Å
309D79.9Confident93.5Very high142 Ų14266 Ų6676%0.75933%0.331SS*.  trans-61.6-39.3-175.8-82.8-1.6000113.4
310Y85.7Confident93.2Very high65 Ų6566 Ų6626%0.25533%0.33SS..  trans-165.50178.162.6-76.4000112.5N162 R163 K192 L193 E308N162-Y310 WeakPolarHBondContact CA-OXT 3.34Å; N162-Y310 VanDerWaalsContact CB-OXT 3.22Å; N162-Y310 WeakPolarHBondContact CB-OXT 3.47Å; R163-Y310 HydrophobicContact CB-CD2 4.03Å; R163-Y310 HydrophobicContact CB-CE2 4.27Å; R163-Y310 VanDerWaalsContact CB-O 3.24Å; R163-Y310 WeakPolarHBondContact CB-O 3.47Å; R163-Y310 HydrophobicContact CG-CE2 4.49Å; R163-Y310 VanDerWaalsContact N-C 3.32Å; R163-Y310 PolarHBondContact N-O 3.38Å; R163-Y310 VanDerWaalsContact N-O 3.12Å; R163-Y310 PolarHBondContact N-OXT 3.41Å; R163-Y310 PolarHBondContact NH1-OH 3Å; R163-Y310 VanDerWaalsContact NH1-OH 3.14Å; K192-Y310 HydrophobicContact CB-CD1 3.84Å; K192-Y310 HydrophobicContact CB-CD2 3.85Å; K192-Y310 HydrophobicContact CB-CE1 4.14Å; K192-Y310 HydrophobicContact CB-CE2 4.08Å; K192-Y310 HydrophobicContact CB-CG 3.71Å; K192-Y310 HydrophobicContact CD-CD1 3.72Å; K192-Y310 HydrophobicContact CD-CE1 3.75Å; K192-Y310 HydrophobicContact CD-CG 4.43Å; K192-Y310 HydrophobicContact CG-CD1 4.46Å; L193-Y310 VanDerWaalsContact CD1-OXT 3.3Å; L193-Y310 WeakPolarHBondContact CD1-OXT 3.36Å; E308-Y310 PolarHBondContact O-N 3.4Å

Retrieved 310 of 310 residues in 70.8 ms (Link to these results)

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