A0A077ZH15_TRITR Loading...

RMMBL and Lactamase B domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 558 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
1M58.4Low91Very high188 Ų18881 Ų8193%0.92641%0.407SS*.  0136.70-172.6-174.5-139.600107.9L3 G434 H435M1-L3 PolarHBondContact O-N 3.21Å; M1-G434 WeakPolarHBondContact O-CA 3.38Å; M1-H435 PolarHBondContact O-N 3.41Å; M1-H435 VanDerWaalsContact O-N 3.12Å
2K80.2Confident91.6Very high193 Ų19374.3 Ų74.384%0.83937%0.374SS*.  trans-61.4132.9-177.5-169.9176.3-178178.10110S4K2-S4 PolarHBondContact O-N 2.89Å
3L90.7Very high92.2Very high56 Ų5668.9 Ų68.929%0.29335%0.346SS..  trans-56.6128.8178.8-166.176000111.1M1 Y60 M422 A433 F436M1-L3 PolarHBondContact O-N 3.21Å; L3-Y60 HydrophobicContact CD2-CE2 3.52Å; L3-M422 HydrophobicContact CD1-CB 3.45Å; L3-M422 VanDerWaalsContact CD1-CB 3.45Å; L3-M422 HydrophobicContact CD1-CE 3.99Å; L3-M422 HydrophobicContact CD1-CG 3.86Å; L3-M422 HydrophobicContact CD2-CE 4.38Å; L3-A433 CarbonylContact C-O 3.57Å; L3-A433 WeakPolarHBondContact CA-O 3.44Å; L3-F436 HydrophobicContact CD1-CD1 4.22Å
4S93.7Very high92.6Very high69 Ų6964.1 Ų64.148%0.48332%0.322SS..  trans-150.4101.3-177.7-175.70000112K2 R431 A433K2-S4 PolarHBondContact O-N 2.89Å; S4-R431 PolarHBondContact O-NH1 2.84Å; S4-R431 PolarHBondContact O-NH2 2.9Å; S4-A433 PolarHBondContact N-O 3.08Å; S4-A433 WeakPolarHBondContact O-CB 3.37Å
5L94.6Very high93Very high43 Ų4359.9 Ų59.923%0.22530%0.301CS..  trans-107.7127.3173.6-163.671.5000109.5E9 Q29 A424L5-E9 HydrophobicContact CD1-CB 3.81Å; L5-E9 HydrophobicContact CG-CB 4.2Å; L5-Q29 HydrophobicContact CD2-CB 4.39Å; L5-Q29 HydrophobicContact CD2-CG 4.04Å; L5-A424 HydrophobicContact CD1-CB 3.64Å
6K96Very high93.3Very high116 Ų11656.1 Ų56.150%0.50428%0.282SS..  trans-81.2158.6176.2-58.6177.3-169.8163.50110.3N8 E9K6-N8 PolarHBondContact O-N 3.38Å; K6-N8 VanDerWaalsContact O-N 3.11Å; K6-E9 HydrophobicContact CB-CG 4.01Å; K6-E9 WeakPolarHBondContact CB-OE2 3.37Å; K6-E9 WeakPolarHBondContact CD-OE1 3.38Å; K6-E9 PolarHBondContact N-OE2 3.05Å; K6-E9 IonicContact NZ-OE1 3.81Å; K6-E9 PolarHBondContact O-N 2.95Å
7N94.6Very high93.6Very high125 Ų12552.8 Ų52.867%0.66827%0.265SS*.THydrogen-bonded Turntrans-61.2-24.7-176.1-71.4-13000114.6Q31N7-Q31 VanDerWaalsContact O-CG 3.31Å; N7-Q31 WeakPolarHBondContact O-CG 3.38Å; N7-Q31 PolarHBondContact O-NE2 3.33Å
8N96.6Very high93.9Very high97 Ų9750.4 Ų50.452%0.51925%0.254SS..THydrogen-bonded Turntrans-97.87.3179.370.1-50.7000113.1K6 S157K6-N8 PolarHBondContact O-N 3.38Å; K6-N8 VanDerWaalsContact O-N 3.11Å; N8-S157 PolarHBondContact O-OG 3.36Å
9E98.4Very high94Very high4 Ų450.1 Ų50.12%0.01926%0.264CS..  trans-105.2142.7-178.8-68.4168.1169.200110.4L5 K6 A424 L425 T426 R431L5-E9 HydrophobicContact CD1-CB 3.81Å; L5-E9 HydrophobicContact CG-CB 4.2Å; K6-E9 HydrophobicContact CB-CG 4.01Å; K6-E9 WeakPolarHBondContact CB-OE2 3.37Å; K6-E9 WeakPolarHBondContact CD-OE1 3.38Å; K6-E9 PolarHBondContact N-OE2 3.05Å; K6-E9 IonicContact NZ-OE1 3.81Å; K6-E9 PolarHBondContact O-N 2.95Å; E9-A424 HydrophobicContact CB-CB 4.14Å; E9-A424 HydrophobicContact CG-CB 4.23Å; E9-A424 WeakPolarHBondContact OE2-CB 3.33Å; E9-L425 CarbonylContact C-O 3.54Å; E9-L425 WeakPolarHBondContact CA-O 3.31Å; E9-T426 HydrophobicContact CG-CG2 3.65Å; E9-R431 VanDerWaalsContact CD-NH2 3.33Å; E9-R431 IonicContact OE1-CZ 3.81Å; E9-R431 IonicContact OE1-NE 3.72Å; E9-R431 PolarHBondContact OE1-NE 2.82Å; E9-R431 IonicContact OE1-NH2 3.26Å; E9-R431 PolarHBondContact OE1-NH2 3.49Å; E9-R431 VanDerWaalsContact OE1-NH2 3.13Å; E9-R431 IonicContact OE2-CZ 3.26Å; E9-R431 IonicContact OE2-NE 3.17Å; E9-R431 IonicContact OE2-NH2 3.88Å; E9-R431 PolarHBondContact OE2-NH2 3.29Å
10T98.8Very high94.1Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-94.8124.7164.9-62.70000108.5V28 Q29 T155 S157 I160 L425T10-V28 HydrophobicContact CG2-CG1 3.66Å; T10-Q29 CarbonylContact C-O 3.54Å; T10-Q29 WeakPolarHBondContact CA-O 3.4Å; T10-T155 HydrophobicContact CG2-CG2 3.74Å; T10-T155 WeakPolarHBondContact OG1-CB 3.27Å; T10-T155 PolarHBondContact OG1-OG1 3.37Å; T10-S157 PolarHBondContact N-OG 2.99Å; T10-S157 VanDerWaalsContact OG1-CB 3.25Å; T10-S157 WeakPolarHBondContact OG1-CB 3.22Å; T10-S157 PolarHBondContact OG1-OG 2.87Å; T10-I160 HydrophobicContact CG2-CD1 4.11Å; T10-I160 HydrophobicContact CG2-CG1 3.87Å; T10-L425 PolarHBondContact N-O 3.08Å; T10-L425 PolarHBondContact O-N 2.91Å
11G98.7Very high94.1Very high0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-88.4132.8174.300000111V28 Q29 L423G11-V28 CarbonylContact O-C 3.58Å; G11-V28 WeakPolarHBondContact O-CA 3.22Å; G11-Q29 PolarHBondContact N-O 3.15Å; G11-Q29 PolarHBondContact O-N 2.9Å; G11-L423 CarbonylContact C-O 3.54Å; G11-L423 VanDerWaalsContact CA-O 3.31Å; G11-L423 WeakPolarHBondContact CA-O 3.46Å
12V98.8Very high95.7Very high1 Ų140.1 Ų40.11%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-120.3134.9170.8171.80000108.2G27 I160 L194 L423 L425V12-G27 WeakPolarHBondContact CA-O 3.49Å; V12-I160 HydrophobicContact CG2-CD1 4.01Å; V12-I160 HydrophobicContact CG2-CG1 4.19Å; V12-I160 HydrophobicContact CG2-CG2 3.88Å; V12-L194 HydrophobicContact CG1-CD1 3.81Å; V12-L194 HydrophobicContact CG1-CD2 3.84Å; V12-L194 HydrophobicContact CG1-CG 4.14Å; V12-L423 HydrophobicContact CB-CB 4.49Å; V12-L423 PolarHBondContact N-O 3.04Å; V12-L423 PolarHBondContact O-N 3Å; V12-L425 HydrophobicContact CB-CD1 4.41Å; V12-L425 HydrophobicContact CG2-CD1 3.67Å
13F98.7Very high96.5Very high4 Ų431 Ų312%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-154.9167-177.361.2-86.8000112.4I15 Y26 G27 Q29 I34 I36 Y60 D421 M422 F436F13-I15 HydrophobicContact CD2-CG1 4.1Å; F13-I15 HydrophobicContact CE2-CD1 4.19Å; F13-I15 HydrophobicContact CE2-CG1 3.91Å; F13-Y26 WeakPolarHBondContact O-CA 3.4Å; F13-G27 WeakPolarHBondContact CD1-O 3.36Å; F13-G27 PolarHBondContact N-O 3.34Å; F13-G27 PolarHBondContact O-N 3.4Å; F13-Q29 HydrophobicContact CE1-CB 4.27Å; F13-I34 HydrophobicContact CZ-CG2 4.21Å; F13-I36 HydrophobicContact CE2-CD1 4.43Å; F13-I36 HydrophobicContact CZ-CD1 4.19Å; F13-Y60 HydrophobicContact CE1-CE1 4.25Å; F13-Y60 HydrophobicContact CE2-CD1 4.14Å; F13-Y60 HydrophobicContact CE2-CE1 4.11Å; F13-Y60 HydrophobicContact CZ-CD1 4.19Å; F13-Y60 AromaticContact CZ-CE1 3.74Å; F13-Y60 HydrophobicContact CZ-CE1 3.74Å; F13-D421 WeakPolarHBondContact CA-O 3.36Å; F13-D421 WeakPolarHBondContact CB-O 3.41Å; F13-M422 HydrophobicContact CB-CE 3.98Å; F13-M422 HydrophobicContact CB-SD 3.99Å; F13-M422 HydrophobicContact CD1-CE 3.34Å; F13-M422 HydrophobicContact CD1-SD 3.57Å; F13-M422 VanDerWaalsContact CD1-SD 3.57Å; F13-M422 HydrophobicContact CE1-CE 3.91Å; F13-M422 HydrophobicContact CE1-SD 4.45Å; F13-M422 HydrophobicContact CG-CE 3.77Å; F13-M422 HydrophobicContact CG-SD 4.16Å; F13-F436 HydrophobicContact CB-CE1 3.87Å; F13-F436 HydrophobicContact CB-CZ 4.18Å; F13-F436 AromaticContact CD2-CE1 3.86Å; F13-F436 HydrophobicContact CD2-CE1 3.86Å; F13-F436 AromaticContact CD2-CZ 3.52Å; F13-F436 HydrophobicContact CD2-CZ 3.52Å; F13-F436 HydrophobicContact CE2-CZ 4.17Å; F13-F436 AromaticContact CG-CE1 3.98Å; F13-F436 HydrophobicContact CG-CE1 3.98Å; F13-F436 HydrophobicContact CG-CZ 4.1Å
14A98.7Very high96.9Very high1 Ų128.3 Ų28.31%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-123.4140.4165.600000109.6L18 M25 Y26 G420A14-L18 HydrophobicContact CB-CD1 3.5Å; A14-L18 HydrophobicContact CB-CD2 4.39Å; A14-L18 HydrophobicContact CB-CG 3.52Å; A14-M25 CarbonylContact C-O 3.54Å; A14-M25 WeakPolarHBondContact CA-O 3.42Å; A14-Y26 HydrophobicContact CB-CD1 3.68Å; A14-Y26 HydrophobicContact CB-CE1 3.92Å; A14-G420 PolarHBondContact O-N 2.91Å
15I98.4Very high97.1Very high1 Ų125 Ų251%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-92-30.2165.4-48.6-173.3000109.3F13 M25 P56 D57 V61 F436 A438F13-I15 HydrophobicContact CD2-CG1 4.1Å; F13-I15 HydrophobicContact CE2-CD1 4.19Å; F13-I15 HydrophobicContact CE2-CG1 3.91Å; I15-M25 HydrophobicContact CB-CB 4.29Å; I15-M25 HydrophobicContact CB-CG 4.16Å; I15-M25 HydrophobicContact CB-SD 4.1Å; I15-M25 HydrophobicContact CD1-CE 4.02Å; I15-M25 HydrophobicContact CD1-CG 4.27Å; I15-M25 HydrophobicContact CD1-SD 3.85Å; I15-M25 HydrophobicContact CG1-CG 4.35Å; I15-M25 HydrophobicContact CG1-SD 4.36Å; I15-M25 HydrophobicContact CG2-SD 4.42Å; I15-M25 PolarHBondContact N-O 2.62Å; I15-P56 HydrophobicContact CB-CB 4.37Å; I15-P56 HydrophobicContact CG2-CB 3.68Å; I15-D57 VanDerWaalsContact CG2-O 3.28Å; I15-D57 WeakPolarHBondContact CG2-O 3.4Å; I15-V61 HydrophobicContact CD1-CG2 3.47Å; I15-V61 VanDerWaalsContact CD1-CG2 3.47Å; I15-F436 HydrophobicContact CG1-CE2 4.02Å; I15-F436 HydrophobicContact CG1-CZ 4.15Å; I15-A438 HydrophobicContact CG2-CB 4.31Å
16G98.3Very high97.3Very high0 Ų023.1 Ų23.10%013%0.127CC..EExtended strand (participates in β ladder)trans-153161.5174.200000111.6K23 M25 N419G16-K23 CarbonylContact C-O 3.53Å; G16-K23 VanDerWaalsContact C-O 3.31Å; G16-K23 VanDerWaalsContact CA-O 3.3Å; G16-K23 WeakPolarHBondContact CA-O 3.34Å; G16-M25 PolarHBondContact N-O 3.05Å; G16-M25 PolarHBondContact O-N 3.06Å; G16-M25 VanDerWaalsContact O-N 3.09Å; G16-N419 WeakPolarHBondContact CA-OD1 3.33Å
17G97.7Very high97.4Very high0 Ų017.6 Ų17.60%010%0.104CC..SBendtrans102.3-3.9177.200000116E20 G22 H391 N419G17-E20 PolarHBondContact N-OE1 3.21Å; G17-E20 VanDerWaalsContact N-OE1 3.13Å; G17-G22 WeakPolarHBondContact CA-O 3.31Å; G17-H391 WeakPolarHBondContact O-CA 3.39Å; G17-H391 PolarHBondContact O-N 3.48Å; G17-N419 PolarHBondContact N-OD1 3.06Å
18L98.2Very high97.6Very high10 Ų1011.8 Ų11.85%0.0527%0.073CC..BIsolated β-bridgetrans-102.8130.1174.4-56.2-174.5000111.7A14 E20 Y26 I390 M417 N419A14-L18 HydrophobicContact CB-CD1 3.5Å; A14-L18 HydrophobicContact CB-CD2 4.39Å; A14-L18 HydrophobicContact CB-CG 3.52Å; L18-E20 VanDerWaalsContact C-N 3.25Å; L18-Y26 HydrophobicContact CD2-CE1 4.07Å; L18-I390 HydrophobicContact CD2-CB 3.9Å; L18-I390 HydrophobicContact CD2-CG2 3.85Å; L18-M417 HydrophobicContact CD1-CB 3.74Å; L18-N419 WeakPolarHBondContact CB-OD1 3.45Å; L18-N419 PolarHBondContact N-OD1 3.41Å
19G96.9Very high97.7Very high43 Ų437.8 Ų7.844%0.4435%0.051SC..SBendtrans80.19.7-176.800000113.1G392G19-G392 CarbonylContact C-O 3.55Å; G19-G392 VanDerWaalsContact CA-O 3.29Å; G19-G392 WeakPolarHBondContact CA-O 3.37Å; G19-G392 PolarHBondContact N-O 3.23Å
20E95.5Very high97.7Very high16 Ų168.1 Ų8.18%0.0755%0.052CC..BIsolated β-bridgetrans-155.6172.2-175.365.3-169.7155.800111.4G17 L18 K23 K42 G392 N419G17-E20 PolarHBondContact N-OE1 3.21Å; G17-E20 VanDerWaalsContact N-OE1 3.13Å; L18-E20 VanDerWaalsContact C-N 3.25Å; E20-K23 WeakPolarHBondContact OE1-CD 3.44Å; E20-K23 WeakPolarHBondContact OE1-CG 3.48Å; E20-K23 IonicContact OE1-NZ 3.53Å; E20-K23 PolarHBondContact OE1-NZ 3.29Å; E20-K23 WeakPolarHBondContact OE2-CE 3.37Å; E20-K23 IonicContact OE2-NZ 3.89Å; E20-K23 PolarHBondContact OE2-NZ 3.47Å; E20-K42 WeakPolarHBondContact OE2-CD 3.09Å; E20-K42 IonicContact OE2-NZ 2.89Å; E20-G392 PolarHBondContact N-O 3.41Å; E20-G392 VanDerWaalsContact N-O 3.11Å; E20-G392 CarbonylContact O-C 3.58Å; E20-G392 WeakPolarHBondContact O-CA 3.26Å; E20-G392 PolarHBondContact O-N 3.44Å; E20-G392 VanDerWaalsContact O-N 3.08Å; E20-N419 PolarHBondContact OE1-ND2 3.05Å
21I93.3Very high97.6Very high61 Ų6111.2 Ų11.231%0.3137%0.067SC..SBendtrans-114.1118.2166.1-61.7-68.1000107.3T198 M396I21-T198 HydrophobicContact CD1-CG2 3.92Å; I21-M396 HydrophobicContact CD1-SD 4Å; I21-M396 HydrophobicContact CG1-CE 4.45Å; I21-M396 HydrophobicContact CG1-SD 4.39Å
22G93.5Very high97.6Very high3 Ų314.2 Ų14.23%0.0318%0.083CC..SBendtrans125.3170.2-175.600000113.3G17 N24G17-G22 WeakPolarHBondContact CA-O 3.31Å; G22-N24 PolarHBondContact O-N 3.34Å; G22-N24 VanDerWaalsContact O-N 3.1Å
23K96.3Very high97.6Very high1 Ų114.5 Ų14.50%0.0048%0.084CC..  trans5230.7174.273.6169.784.7128.70115G16 E20 M25 I41 K42 P56 D440G16-K23 CarbonylContact C-O 3.53Å; G16-K23 VanDerWaalsContact C-O 3.31Å; G16-K23 VanDerWaalsContact CA-O 3.3Å; G16-K23 WeakPolarHBondContact CA-O 3.34Å; E20-K23 WeakPolarHBondContact OE1-CD 3.44Å; E20-K23 WeakPolarHBondContact OE1-CG 3.48Å; E20-K23 IonicContact OE1-NZ 3.53Å; E20-K23 PolarHBondContact OE1-NZ 3.29Å; E20-K23 WeakPolarHBondContact OE2-CE 3.37Å; E20-K23 IonicContact OE2-NZ 3.89Å; E20-K23 PolarHBondContact OE2-NZ 3.47Å; K23-M25 PolarHBondContact O-N 3.01Å; K23-M25 VanDerWaalsContact O-N 3.16Å; K23-I41 VanDerWaalsContact N-C 3.32Å; K23-I41 PolarHBondContact N-O 2.92Å; K23-K42 HydrophobicContact CB-CB 3.88Å; K23-K42 HydrophobicContact CG-CB 4.16Å; K23-P56 HydrophobicContact CB-CG 4.11Å; K23-D440 IonicContact NZ-OD1 3.71Å; K23-D440 PolarHBondContact NZ-OD1 3.06Å; K23-D440 IonicContact NZ-OD2 2.7Å; K23-D440 PolarHBondContact NZ-OD2 3.48Å
24N98.6Very high97.6Very high0 Ų014.4 Ų14.40%08%0.084CC..  trans-57.5121.9-176.4-62.7-71.6000110.7G22 Y26 D38 A39 G40 D79 H80 H391G22-N24 PolarHBondContact O-N 3.34Å; G22-N24 VanDerWaalsContact O-N 3.1Å; N24-Y26 HydrophobicContact CB-CE2 3.8Å; N24-Y26 PolarHBondContact OD1-OH 3.1Å; N24-D38 CarbonylContact O-C 3.56Å; N24-A39 PolarHBondContact O-N 3.46Å; N24-G40 PolarHBondContact O-N 3.36Å; N24-D79 VanDerWaalsContact CB-O 3.25Å; N24-D79 WeakPolarHBondContact CB-O 3.44Å; N24-D79 PolarHBondContact N-O 3.38Å; N24-D79 PolarHBondContact ND2-O 3.24Å; N24-H80 PolarHBondContact ND2-NE2 3.23Å; N24-H391 PolarHBondContact ND2-CD2 3.41Å; N24-H391 PolarHBondContact ND2-NE2 2.7Å; N24-H391 PolarHBondContact OD1-CD2 3.22Å
25M98.7Very high97.6Very high0 Ų014.4 Ų14.40%08%0.084CC..EExtended strand (participates in β ladder)trans-156.1104.8176.6-176.2174.9-163.800108.7A14 I15 G16 K23 I36 D38 P56 F58 V61 L87A14-M25 CarbonylContact C-O 3.54Å; A14-M25 WeakPolarHBondContact CA-O 3.42Å; I15-M25 HydrophobicContact CB-CB 4.29Å; I15-M25 HydrophobicContact CB-CG 4.16Å; I15-M25 HydrophobicContact CB-SD 4.1Å; I15-M25 HydrophobicContact CD1-CE 4.02Å; I15-M25 HydrophobicContact CD1-CG 4.27Å; I15-M25 HydrophobicContact CD1-SD 3.85Å; I15-M25 HydrophobicContact CG1-CG 4.35Å; I15-M25 HydrophobicContact CG1-SD 4.36Å; I15-M25 HydrophobicContact CG2-SD 4.42Å; I15-M25 PolarHBondContact N-O 2.62Å; G16-M25 PolarHBondContact N-O 3.05Å; G16-M25 PolarHBondContact O-N 3.06Å; G16-M25 VanDerWaalsContact O-N 3.09Å; K23-M25 PolarHBondContact O-N 3.01Å; K23-M25 VanDerWaalsContact O-N 3.16Å; M25-I36 HydrophobicContact CE-CG2 3.6Å; M25-I36 HydrophobicContact CG-CG2 4.04Å; M25-D38 WeakPolarHBondContact CG-O 3.48Å; M25-P56 HydrophobicContact CB-CG 4.23Å; M25-P56 HydrophobicContact SD-CB 4.29Å; M25-P56 HydrophobicContact SD-CG 4.24Å; M25-F58 HydrophobicContact CE-CD1 4Å; M25-F58 HydrophobicContact CE-CE1 4.12Å; M25-F58 HydrophobicContact SD-CD1 3.72Å; M25-F58 HydrophobicContact SD-CE1 3.54Å; M25-F58 VanDerWaalsContact SD-CE1 3.54Å; M25-V61 HydrophobicContact CE-CG2 3.82Å; M25-L87 HydrophobicContact CE-CD1 4.4Å; M25-L87 HydrophobicContact CE-CD2 3.82Å
26Y98.8Very high97.6Very high2 Ų214.4 Ų14.41%0.0088%0.084CC..EExtended strand (participates in β ladder)trans-109.8162.3-176.1-52.6-74.8000110.9F13 A14 L18 N24 I36 I37 I390 H391F13-Y26 WeakPolarHBondContact O-CA 3.4Å; A14-Y26 HydrophobicContact CB-CD1 3.68Å; A14-Y26 HydrophobicContact CB-CE1 3.92Å; L18-Y26 HydrophobicContact CD2-CE1 4.07Å; N24-Y26 HydrophobicContact CB-CE2 3.8Å; N24-Y26 PolarHBondContact OD1-OH 3.1Å; Y26-I36 WeakPolarHBondContact O-CA 3.43Å; Y26-I37 PolarHBondContact N-O 3.43Å; Y26-I37 PolarHBondContact O-N 3Å; Y26-I390 HydrophobicContact CD1-CG2 4.32Å; Y26-I390 HydrophobicContact CD2-CD1 4.24Å; Y26-I390 HydrophobicContact CE1-CB 3.74Å; Y26-I390 HydrophobicContact CE1-CD1 4.13Å; Y26-I390 HydrophobicContact CE1-CG2 3.89Å; Y26-I390 HydrophobicContact CE2-CD1 3.76Å; Y26-H391 PolarHBondContact OH-N 2.73Å; Y26-H391 VanDerWaalsContact OH-N 3.15Å
27G98.6Very high97.6Very high1 Ų114.5 Ų14.51%0.018%0.084CC..EExtended strand (participates in β ladder)trans-148144.3179.100000114.2V12 F13 I35V12-G27 WeakPolarHBondContact CA-O 3.49Å; F13-G27 WeakPolarHBondContact CD1-O 3.36Å; F13-G27 PolarHBondContact N-O 3.34Å; F13-G27 PolarHBondContact O-N 3.4Å; G27-I35 WeakPolarHBondContact CA-O 3.19Å
28V98.8Very high97.7Very high3 Ų314.5 Ų14.52%0.0188%0.084CC..EExtended strand (participates in β ladder)trans-122.1121171.3-176.10000108.5T10 G11 I34 I35 V153 T155 I160T10-V28 HydrophobicContact CG2-CG1 3.66Å; G11-V28 CarbonylContact O-C 3.58Å; G11-V28 WeakPolarHBondContact O-CA 3.22Å; V28-I34 WeakPolarHBondContact O-CA 3.27Å; V28-I35 PolarHBondContact N-O 3.34Å; V28-I35 PolarHBondContact O-N 3.35Å; V28-V153 HydrophobicContact CB-CB 4.24Å; V28-V153 HydrophobicContact CB-CG1 4.04Å; V28-V153 HydrophobicContact CB-CG2 4.27Å; V28-V153 HydrophobicContact CG1-CB 4.14Å; V28-V153 HydrophobicContact CG1-CG1 3.78Å; V28-V153 HydrophobicContact CG2-CB 4.22Å; V28-V153 HydrophobicContact CG2-CG2 4.03Å; V28-T155 HydrophobicContact CG1-CG2 4.1Å; V28-I160 HydrophobicContact CG1-CB 4.32Å; V28-I160 HydrophobicContact CG1-CG1 3.89Å; V28-I160 HydrophobicContact CG2-CB 4.2Å; V28-I160 HydrophobicContact CG2-CG2 3.82Å
29Q98.5Very high97.7Very high13 Ų1314 Ų146%0.0618%0.082CC..EExtended strand (participates in β ladder)trans-116.6129.8179.7179.3171.4-17.500111.1L5 T10 G11 F13 Q31 E33 I34 Y60L5-Q29 HydrophobicContact CD2-CB 4.39Å; L5-Q29 HydrophobicContact CD2-CG 4.04Å; T10-Q29 CarbonylContact C-O 3.54Å; T10-Q29 WeakPolarHBondContact CA-O 3.4Å; G11-Q29 PolarHBondContact N-O 3.15Å; G11-Q29 PolarHBondContact O-N 2.9Å; F13-Q29 HydrophobicContact CE1-CB 4.27Å; Q29-Q31 PolarHBondContact NE2-O 3.45Å; Q29-E33 WeakPolarHBondContact CA-O 3.36Å; Q29-I34 HydrophobicContact CB-CG1 3.96Å; Q29-I34 HydrophobicContact CG-CD1 4.4Å; Q29-I34 HydrophobicContact CG-CG1 3.68Å; Q29-Y60 PolarHBondContact OE1-OH 3.45Å
30F98.5Very high97.7Very high11 Ų1112 Ų125%0.0486%0.061CC..EExtended strand (participates in β ladder)trans-128.6112.8164.3-177.3-98.8000109.4D32 E33 K133 T134 T155 P156F30-D32 PolarHBondContact O-N 2.97Å; F30-E33 PolarHBondContact N-O 3.4Å; F30-E33 PolarHBondContact O-N 2.96Å; F30-K133 HydrophobicContact CD1-CB 4.03Å; F30-K133 HydrophobicContact CD1-CD 4.2Å; F30-K133 HydrophobicContact CE1-CB 4.18Å; F30-K133 HydrophobicContact CE1-CD 4.04Å; F30-T134 HydrophobicContact CB-CG2 3.97Å; F30-T155 HydrophobicContact CB-CG2 4.34Å; F30-P156 HydrophobicContact CD1-CG 4.01Å; F30-P156 HydrophobicContact CE1-CB 4.2Å; F30-P156 HydrophobicContact CE1-CG 3.45Å; F30-P156 VanDerWaalsContact CE1-CG 3.45Å; F30-P156 HydrophobicContact CE2-CB 4.2Å; F30-P156 HydrophobicContact CE2-CG 4.21Å; F30-P156 HydrophobicContact CZ-CB 3.77Å; F30-P156 HydrophobicContact CZ-CG 3.56Å
31Q97.1Very high97.7Very high65 Ų6511.5 Ų11.530%0.3046%0.058SC..THydrogen-bonded Turntrans54-110.7-176.3-58.2179.9-7.200112.5N7 Q29N7-Q31 VanDerWaalsContact O-CG 3.31Å; N7-Q31 WeakPolarHBondContact O-CG 3.38Å; N7-Q31 PolarHBondContact O-NE2 3.33Å; Q29-Q31 PolarHBondContact NE2-O 3.45Å
32D97.1Very high97.6Very high62 Ų629.8 Ų9.833%0.3325%0.049SC..THydrogen-bonded Turntrans-100.113.8-177.161.3-37.6000113.6F30 K67 K133F30-D32 PolarHBondContact O-N 2.97Å; D32-K67 VanDerWaalsContact O-CA 3.31Å; D32-K67 WeakPolarHBondContact O-CA 3.49Å; D32-K67 WeakPolarHBondContact O-CB 3.22Å; D32-K133 IonicContact OD1-NZ 3.8Å; D32-K133 PolarHBondContact OD1-NZ 3.29Å; D32-K133 IonicContact OD2-NZ 2.82Å
33E98.6Very high97.2Very high8 Ų815 Ų154%0.0377%0.071CC..EExtended strand (participates in β ladder)trans-120.7123.7175.1-58.4-171.7147.600110.1Q29 F30 K67 K69 F131 R132 K133 T134Q29-E33 WeakPolarHBondContact CA-O 3.36Å; F30-E33 PolarHBondContact N-O 3.4Å; F30-E33 PolarHBondContact O-N 2.96Å; E33-K67 CarbonylContact C-O 3.57Å; E33-K67 WeakPolarHBondContact CA-O 3.38Å; E33-K69 HydrophobicContact CB-CG 4.05Å; E33-K69 HydrophobicContact CG-CG 4.2Å; E33-F131 WeakPolarHBondContact OE1-CB 3.38Å; E33-R132 WeakPolarHBondContact OE1-CA 3.36Å; E33-R132 WeakPolarHBondContact OE1-CB 3.41Å; E33-R132 PolarHBondContact OE1-N 2.82Å; E33-K133 PolarHBondContact OE1-N 3.49Å; E33-K133 WeakPolarHBondContact OE2-CA 3.33Å; E33-K133 WeakPolarHBondContact OE2-CB 3.1Å; E33-K133 PolarHBondContact OE2-N 3.38Å; E33-T134 HydrophobicContact CB-CG2 4.39Å; E33-T134 WeakPolarHBondContact OE2-CB 3.49Å; E33-T134 WeakPolarHBondContact OE2-CG2 3.28Å; E33-T134 PolarHBondContact OE2-N 3.28Å; E33-T134 PolarHBondContact OE2-OG1 3.01Å
34I98.6Very high96.6Very high2 Ų216.9 Ų16.91%0.018%0.083CC..EExtended strand (participates in β ladder)trans-119.1126.8174-60.1174.1000108.4F13 V28 Q29 I36 Y60 N64 K67 V68 K69F13-I34 HydrophobicContact CZ-CG2 4.21Å; V28-I34 WeakPolarHBondContact O-CA 3.27Å; Q29-I34 HydrophobicContact CB-CG1 3.96Å; Q29-I34 HydrophobicContact CG-CD1 4.4Å; Q29-I34 HydrophobicContact CG-CG1 3.68Å; I34-I36 HydrophobicContact CG2-CD1 3.61Å; I34-I36 HydrophobicContact CG2-CG1 4.2Å; I34-Y60 HydrophobicContact CD1-CE1 4.32Å; I34-N64 HydrophobicContact CD1-CB 3.77Å; I34-K67 HydrophobicContact CD1-CB 3.86Å; I34-K67 HydrophobicContact CD1-CD 4.35Å; I34-K67 HydrophobicContact CG1-CB 3.94Å; I34-K67 PolarHBondContact N-O 3.44Å; I34-V68 HydrophobicContact CB-CG2 4.36Å; I34-V68 HydrophobicContact CG2-CG2 4.48Å; I34-V68 WeakPolarHBondContact O-CA 3.33Å; I34-K69 PolarHBondContact O-N 3.3Å
35I98.8Very high95.7Very high1 Ų122.3 Ų22.31%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-105.4122168.5-50.2-53.2000107.2G27 V28 K69 V72 F131 V136 V153G27-I35 WeakPolarHBondContact CA-O 3.19Å; V28-I35 PolarHBondContact N-O 3.34Å; V28-I35 PolarHBondContact O-N 3.35Å; I35-K69 HydrophobicContact CD1-CB 4.01Å; I35-V72 HydrophobicContact CG2-CG2 4Å; I35-F131 HydrophobicContact CD1-CD2 3.71Å; I35-F131 HydrophobicContact CD1-CE2 3.37Å; I35-F131 HydrophobicContact CD1-CZ 4.2Å; I35-V136 HydrophobicContact CD1-CG2 4.09Å; I35-V136 HydrophobicContact CG1-CG2 3.99Å; I35-V136 HydrophobicContact CG2-CG2 3.8Å; I35-V153 HydrophobicContact CB-CG1 4.43Å; I35-V153 HydrophobicContact CB-CG2 4.38Å; I35-V153 HydrophobicContact CG1-CG1 3.94Å; I35-V153 HydrophobicContact CG2-CG2 4.18Å
36I98.8Very high94.6Very high1 Ų128.2 Ų28.21%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-95.8138172.1-57-60000108.1F13 M25 Y26 I34 V61 V68 A70 L71 V72F13-I36 HydrophobicContact CE2-CD1 4.43Å; F13-I36 HydrophobicContact CZ-CD1 4.19Å; M25-I36 HydrophobicContact CE-CG2 3.6Å; M25-I36 HydrophobicContact CG-CG2 4.04Å; Y26-I36 WeakPolarHBondContact O-CA 3.43Å; I34-I36 HydrophobicContact CG2-CD1 3.61Å; I34-I36 HydrophobicContact CG2-CG1 4.2Å; I36-V61 HydrophobicContact CD1-CG2 4.42Å; I36-V68 HydrophobicContact CG1-CG1 4.19Å; I36-A70 PolarHBondContact N-O 3.31Å; I36-L71 HydrophobicContact CB-CD1 4.05Å; I36-L71 HydrophobicContact CG2-CD1 3.58Å; I36-V72 PolarHBondContact O-N 3.3Å
37I98.9Very high93.8Very high2 Ų231.9 Ų31.91%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-119.3118.4177.5-53171.3000107.2Y26 V72 T74 V151 V153 E162Y26-I37 PolarHBondContact N-O 3.43Å; Y26-I37 PolarHBondContact O-N 3Å; I37-V72 CarbonylContact C-O 3.57Å; I37-V72 WeakPolarHBondContact CA-O 3.49Å; I37-T74 HydrophobicContact CG2-CG2 3.64Å; I37-V151 HydrophobicContact CD1-CB 4.17Å; I37-V151 HydrophobicContact CD1-CG1 3.92Å; I37-V151 HydrophobicContact CG1-CG1 4.29Å; I37-V151 HydrophobicContact CG2-CG2 4.11Å; I37-V153 HydrophobicContact CD1-CG2 4.2Å; I37-E162 HydrophobicContact CD1-CB 3.92Å; I37-E162 HydrophobicContact CD1-CG 4.21Å; I37-E162 HydrophobicContact CG2-CG 4.36Å
38D98.8Very high93.1Very high0 Ų033 Ų330%017%0.165CC..  trans60.1162.8-173.8-60.4-32.1000115.3N24 M25 L71 V72 I73 T74 H80N24-D38 CarbonylContact O-C 3.56Å; M25-D38 WeakPolarHBondContact CG-O 3.48Å; D38-L71 WeakPolarHBondContact O-CD1 3.37Å; D38-V72 PolarHBondContact N-O 2.91Å; D38-I73 VanDerWaalsContact OD1-CA 3.31Å; D38-I73 WeakPolarHBondContact OD1-CA 3.44Å; D38-T74 VanDerWaalsContact CG-OG1 3.3Å; D38-T74 PolarHBondContact OD1-N 3.03Å; D38-T74 PolarHBondContact OD1-OG1 2.86Å; D38-T74 WeakPolarHBondContact OD2-CB 3.27Å; D38-T74 WeakPolarHBondContact OD2-CG2 3.47Å; D38-T74 PolarHBondContact OD2-OG1 2.79Å; D38-H80 HydrophobicContact CB-CB 4.09Å; D38-H80 IonicContact OD2-CE1 2.61Å; D38-H80 IonicContact OD2-CG 3.46Å; D38-H80 IonicContact OD2-ND1 2.68Å; D38-H80 PolarHBondContact OD2-ND1 3.46Å
39A98.4Very high92.4Very high0 Ų035.5 Ų35.50%018%0.178CC..  trans-155.780.6173.600000108.9N24 L71 H80 I81 G83 V84 L87N24-A39 PolarHBondContact O-N 3.46Å; A39-L71 HydrophobicContact CB-CD1 4.18Å; A39-L71 HydrophobicContact CB-CD2 4.23Å; A39-H80 CarbonylContact C-O 3.55Å; A39-H80 PolarHBondContact N-O 2.97Å; A39-I81 CarbonylContact O-C 3.51Å; A39-I81 VanDerWaalsContact O-C 3.31Å; A39-G83 CarbonylContact O-C 3.57Å; A39-G83 WeakPolarHBondContact O-CA 3.22Å; A39-G83 PolarHBondContact O-N 2.95Å; A39-V84 HydrophobicContact CB-CG2 4Å; A39-V84 PolarHBondContact O-N 3.44Å; A39-L87 HydrophobicContact CB-CD2 4.09Å
40G97.4Very high91.8Very high0 Ų037.2 Ų37.20%020%0.199CC..  trans-86173.7-17500000116.9N24 D79 H80N24-G40 PolarHBondContact O-N 3.36Å; G40-D79 VanDerWaalsContact CA-O 3.25Å; G40-D79 WeakPolarHBondContact CA-O 3.02Å; G40-H80 PolarHBondContact N-O 3.21Å
41I94.6Very high91.3Very high5 Ų537.3 Ų37.33%0.02620%0.2CC..  trans-108.3160.8160.458.4165.8000111K23 F43 Y53 V54 I55 E78 D79 G82 Y86K23-I41 VanDerWaalsContact N-C 3.32Å; K23-I41 PolarHBondContact N-O 2.92Å; I41-F43 HydrophobicContact CD1-CE1 4.42Å; I41-F43 HydrophobicContact CD1-CZ 4.38Å; I41-Y53 HydrophobicContact CD1-CD1 3.4Å; I41-Y53 HydrophobicContact CD1-CE1 3.75Å; I41-Y53 HydrophobicContact CD1-CG 4.03Å; I41-V54 CarbonylContact C-O 3.59Å; I41-V54 WeakPolarHBondContact CA-O 3.38Å; I41-I55 HydrophobicContact CG2-CG2 3.64Å; I41-E78 HydrophobicContact CD1-CB 4.14Å; I41-E78 HydrophobicContact CG1-CB 4.04Å; I41-E78 WeakPolarHBondContact CG1-O 3.45Å; I41-E78 PolarHBondContact N-O 2.98Å; I41-D79 VanDerWaalsContact O-CA 3.27Å; I41-D79 WeakPolarHBondContact O-CA 3.47Å; I41-G82 WeakPolarHBondContact CG2-O 3.5Å; I41-Y86 HydrophobicContact CG2-CE2 4.44Å
42K91.8Very high90.7Very high26 Ų2637.8 Ų37.811%0.11321%0.205CC..BIsolated β-bridgetrans-114.6138.4165.3169.8178179.2-168.70108.4E20 K23 E45 V54E20-K42 WeakPolarHBondContact OE2-CD 3.09Å; E20-K42 IonicContact OE2-NZ 2.89Å; K23-K42 HydrophobicContact CB-CB 3.88Å; K23-K42 HydrophobicContact CG-CB 4.16Å; K42-E45 IonicContact NZ-OE1 3.73Å; K42-E45 PolarHBondContact NZ-OE1 2.89Å; K42-V54 HydrophobicContact CB-CB 4.17Å; K42-V54 PolarHBondContact N-O 3.31Å; K42-V54 PolarHBondContact O-N 2.88Å
43F85.2Confident90.3Very high112 Ų11239 Ų3949%0.49121%0.205SC..PPolyproline II helixtrans-74.9138170.9-65.6-78.3000109.7I41 Y53 E78I41-F43 HydrophobicContact CD1-CE1 4.42Å; I41-F43 HydrophobicContact CD1-CZ 4.38Å; F43-Y53 HydrophobicContact CD1-CD1 4.32Å; F43-Y53 HydrophobicContact CD1-CE1 4.31Å; F43-Y53 HydrophobicContact CE1-CD1 4.32Å; F43-Y53 AromaticContact CE1-CE1 3.96Å; F43-Y53 HydrophobicContact CE1-CE1 3.96Å; F43-E78 HydrophobicContact CE2-CB 4.42Å; F43-E78 HydrophobicContact CZ-CB 4.28Å; F43-E78 HydrophobicContact CZ-CG 4.42Å
44P84.1Confident90Very high40 Ų4038.7 Ų38.726%0.2620%0.204SC..PPolyproline II helixtrans-66148.1-178.627.2-33.1000111.2L48 I51 D52P44-L48 HydrophobicContact CB-CB 3.91Å; P44-L48 HydrophobicContact CB-CD1 4.01Å; P44-I51 HydrophobicContact CB-CB 4.13Å; P44-I51 HydrophobicContact CB-CG2 4.08Å; P44-I51 HydrophobicContact CG-CB 4.49Å; P44-I51 HydrophobicContact CG-CG2 4.41Å; P44-I51 WeakPolarHBondContact CG-O 3.35Å; P44-D52 WeakPolarHBondContact CD-O 3.33Å
45E79.5Confident89.9Confident114 Ų11438.6 Ų38.653%0.53320%0.204SC..PPolyproline II helixtrans-83.6165.3168.9-67.3171.6-140.300109.8K42 D47 L48K42-E45 IonicContact NZ-OE1 3.73Å; K42-E45 PolarHBondContact NZ-OE1 2.89Å; E45-D47 PolarHBondContact O-N 2.83Å; E45-L48 PolarHBondContact O-N 2.97Å
46D76.3Confident89.7Confident125 Ų12538.6 Ų38.667%0.66820%0.204SC*.THydrogen-bonded Turntrans-57.6-22.2-172.5-68.1-16.5000114
47D80.7Confident89.6Confident79 Ų7940 Ų4042%0.42221%0.211SC..THydrogen-bonded Turntrans-85.9-10.9-177.184.1-48.4000113.9E45 L49 R460E45-D47 PolarHBondContact O-N 2.83Å; D47-L49 VanDerWaalsContact C-N 3.33Å; D47-L49 PolarHBondContact O-N 3.3Å; D47-R460 PolarHBondContact O-NH2 2.92Å; D47-R460 IonicContact OD2-CZ 3.74Å; D47-R460 IonicContact OD2-NH2 3.6Å; D47-R460 PolarHBondContact OD2-NH2 3.41Å
48L83.9Confident89.5Confident24 Ų2440.1 Ų40.113%0.12621%0.212CC..SBendtrans-89.765.2174.9-65.9-179.8000110.8P44 E45 G50 I51 V54 Y442 L456P44-L48 HydrophobicContact CB-CB 3.91Å; P44-L48 HydrophobicContact CB-CD1 4.01Å; E45-L48 PolarHBondContact O-N 2.97Å; L48-G50 PolarHBondContact O-N 2.97Å; L48-I51 HydrophobicContact CB-CB 4.17Å; L48-I51 HydrophobicContact CB-CG1 4.01Å; L48-I51 WeakPolarHBondContact O-CB 3.24Å; L48-I51 PolarHBondContact O-N 3.07Å; L48-I51 VanDerWaalsContact O-N 3.14Å; L48-V54 HydrophobicContact CD1-CG2 3.85Å; L48-Y442 HydrophobicContact CD1-CD1 4.39Å; L48-Y442 HydrophobicContact CD1-CE1 3.88Å; L48-Y442 HydrophobicContact CD2-CE1 3.73Å; L48-Y442 HydrophobicContact CG-CE1 4.46Å; L48-L456 HydrophobicContact CD2-CD1 3.73Å
49L85Confident89.3Confident56 Ų5641.5 Ų41.529%0.29322%0.221SC..THydrogen-bonded Turntrans-55122.1-173.4-64.3173.2000113D47 I51 R459 R460 S463D47-L49 VanDerWaalsContact C-N 3.33Å; D47-L49 PolarHBondContact O-N 3.3Å; L49-I51 VanDerWaalsContact C-N 3.26Å; L49-I51 PolarHBondContact O-N 3.47Å; L49-R459 HydrophobicContact CB-CB 4.13Å; L49-R459 HydrophobicContact CD1-CB 4.28Å; L49-R459 WeakPolarHBondContact O-CD 3.4Å; L49-R459 PolarHBondContact O-NH1 3.46Å; L49-R460 HydrophobicContact CD1-CB 4.32Å; L49-S463 VanDerWaalsContact CD1-OG 3.28Å; L49-S463 WeakPolarHBondContact CD1-OG 3.31Å
50G85.8Confident89.2Confident49 Ų4942.1 Ų42.151%0.50522%0.224SC..THydrogen-bonded Turntrans70.315.817600000114.7L48 D444 R459L48-G50 PolarHBondContact O-N 2.97Å; G50-D444 VanDerWaalsContact O-CG 3.24Å; G50-R459 PolarHBondContact O-NH1 2.84Å
51I88.3Confident89.2Confident12 Ų1242.2 Ų42.26%0.06222%0.224CC..  trans-83.2140.4168-61-50000108.5P44 L48 L49 Y53 V54 Y442 I451 L456P44-I51 HydrophobicContact CB-CB 4.13Å; P44-I51 HydrophobicContact CB-CG2 4.08Å; P44-I51 HydrophobicContact CG-CB 4.49Å; P44-I51 HydrophobicContact CG-CG2 4.41Å; P44-I51 WeakPolarHBondContact CG-O 3.35Å; L48-I51 HydrophobicContact CB-CB 4.17Å; L48-I51 HydrophobicContact CB-CG1 4.01Å; L48-I51 WeakPolarHBondContact O-CB 3.24Å; L48-I51 PolarHBondContact O-N 3.07Å; L48-I51 VanDerWaalsContact O-N 3.14Å; L49-I51 VanDerWaalsContact C-N 3.26Å; L49-I51 PolarHBondContact O-N 3.47Å; I51-Y53 VanDerWaalsContact CG2-O 3.26Å; I51-Y53 WeakPolarHBondContact CG2-O 3.46Å; I51-V54 HydrophobicContact CG2-CG2 4.39Å; I51-Y442 HydrophobicContact CD1-CG 4.24Å; I51-Y442 HydrophobicContact CG1-CD1 4.33Å; I51-Y442 HydrophobicContact CG1-CG 4.43Å; I51-Y442 HydrophobicContact CG2-CD1 4.24Å; I51-I451 HydrophobicContact CD1-CB 4.28Å; I51-I451 HydrophobicContact CD1-CD1 3.68Å; I51-I451 HydrophobicContact CD1-CG2 3.9Å; I51-L456 HydrophobicContact CD1-CD2 3.9Å; I51-L456 HydrophobicContact CG1-CD2 3.73Å
52D83.7Confident89.3Confident75 Ų7545 Ų4540%0.40124%0.238SC..  trans-89.4-48.5173.7-68.1-40.8000110.8P44 V443 G445P44-D52 WeakPolarHBondContact CD-O 3.33Å; D52-V443 PolarHBondContact N-O 2.92Å; D52-G445 PolarHBondContact OD2-N 3.46Å
53Y88.9Confident89.6Confident88 Ų8850.7 Ų50.735%0.34527%0.265SS..EExtended strand (participates in β ladder)trans-144.7156.1-177.5-50.4-67.1000111.9I41 F43 I51 V443I41-Y53 HydrophobicContact CD1-CD1 3.4Å; I41-Y53 HydrophobicContact CD1-CE1 3.75Å; I41-Y53 HydrophobicContact CD1-CG 4.03Å; F43-Y53 HydrophobicContact CD1-CD1 4.32Å; F43-Y53 HydrophobicContact CD1-CE1 4.31Å; F43-Y53 HydrophobicContact CE1-CD1 4.32Å; F43-Y53 AromaticContact CE1-CE1 3.96Å; F43-Y53 HydrophobicContact CE1-CE1 3.96Å; I51-Y53 VanDerWaalsContact CG2-O 3.26Å; I51-Y53 WeakPolarHBondContact CG2-O 3.46Å; Y53-V443 PolarHBondContact N-O 3.5Å; Y53-V443 PolarHBondContact O-N 3.3Å
54V93Very high90.1Very high1 Ų146.4 Ų46.41%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-112.5131.9168.2-169.50000108.6I41 K42 L48 I51 D440 Y442I41-V54 CarbonylContact C-O 3.59Å; I41-V54 WeakPolarHBondContact CA-O 3.38Å; K42-V54 HydrophobicContact CB-CB 4.17Å; K42-V54 PolarHBondContact N-O 3.31Å; K42-V54 PolarHBondContact O-N 2.88Å; L48-V54 HydrophobicContact CD1-CG2 3.85Å; I51-V54 HydrophobicContact CG2-CG2 4.39Å; V54-D440 HydrophobicContact CG1-CB 3.71Å; V54-Y442 HydrophobicContact CG1-CD1 4.33Å; V54-Y442 HydrophobicContact CG1-CE1 4.4Å; V54-Y442 HydrophobicContact CG2-CD1 4.08Å; V54-Y442 HydrophobicContact CG2-CE1 4.33Å
55I95.8Very high90.7Very high1 Ų147.6 Ų47.61%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-122.1158.8176.967.2179.1000110.8I41 F58 Y86 V441 V443 I448I41-I55 HydrophobicContact CG2-CG2 3.64Å; I55-F58 HydrophobicContact CD1-CE2 4.2Å; I55-Y86 HydrophobicContact CD1-CD1 3.98Å; I55-Y86 HydrophobicContact CD1-CG 3.84Å; I55-Y86 HydrophobicContact CG2-CD2 4.07Å; I55-Y86 HydrophobicContact CG2-CE2 4.4Å; I55-Y86 HydrophobicContact CG2-CG 4.32Å; I55-V441 HydrophobicContact CD1-CB 4.41Å; I55-V441 HydrophobicContact CD1-CG1 4.18Å; I55-V441 HydrophobicContact CG1-CB 3.74Å; I55-V441 HydrophobicContact CG1-CG1 4Å; I55-V441 PolarHBondContact N-O 3.45Å; I55-V441 PolarHBondContact O-N 2.97Å; I55-V443 HydrophobicContact CD1-CG2 4.02Å; I55-V443 HydrophobicContact CG1-CG2 4.24Å; I55-V443 HydrophobicContact CG2-CG2 4.14Å; I55-I448 HydrophobicContact CD1-CG2 3.99Å
56P95.8Very high91.6Very high1 Ų148.1 Ų48.11%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-67.6149.8174.6-14.628000112.7I15 K23 M25 F58I15-P56 HydrophobicContact CB-CB 4.37Å; I15-P56 HydrophobicContact CG2-CB 3.68Å; K23-P56 HydrophobicContact CB-CG 4.11Å; M25-P56 HydrophobicContact CB-CG 4.23Å; M25-P56 HydrophobicContact SD-CB 4.29Å; M25-P56 HydrophobicContact SD-CG 4.24Å; P56-F58 HydrophobicContact CB-CD1 4.28Å; P56-F58 HydrophobicContact CB-CE1 3.9Å; P56-F58 HydrophobicContact CG-CE1 3.99Å; P56-F58 PolarHBondContact O-N 2.74Å
57D95.7Very high92.6Very high31 Ų3145 Ų4517%0.16624%0.238CC..  trans-71.1109.6166.1-174.3-40.4000111I15 S59 N437 S439 V441I15-D57 VanDerWaalsContact CG2-O 3.28Å; I15-D57 WeakPolarHBondContact CG2-O 3.4Å; D57-S59 VanDerWaalsContact C-N 3.26Å; D57-S59 PolarHBondContact O-N 3.23Å; D57-S59 WeakPolarHBondContact OD1-CA 3.3Å; D57-S59 WeakPolarHBondContact OD1-CB 3.44Å; D57-S59 PolarHBondContact OD1-N 2.85Å; D57-S59 PolarHBondContact OD1-OG 3.43Å; D57-N437 PolarHBondContact OD2-ND2 2.49Å; D57-S439 WeakPolarHBondContact CB-O 3.33Å; D57-S439 PolarHBondContact N-O 2.95Å; D57-V441 HydrophobicContact CB-CG2 4.04Å
58F96.6Very high93.4Very high4 Ų441.8 Ų41.82%0.01822%0.222CC..THydrogen-bonded Turntrans-81.56.8-177.8-53.6-48.1000114.7M25 I55 P56 Y60 V61 I62 L87M25-F58 HydrophobicContact CE-CD1 4Å; M25-F58 HydrophobicContact CE-CE1 4.12Å; M25-F58 HydrophobicContact SD-CD1 3.72Å; M25-F58 HydrophobicContact SD-CE1 3.54Å; M25-F58 VanDerWaalsContact SD-CE1 3.54Å; I55-F58 HydrophobicContact CD1-CE2 4.2Å; P56-F58 HydrophobicContact CB-CD1 4.28Å; P56-F58 HydrophobicContact CB-CE1 3.9Å; P56-F58 HydrophobicContact CG-CE1 3.99Å; P56-F58 PolarHBondContact O-N 2.74Å; F58-Y60 PolarHBondContact O-N 3.33Å; F58-Y60 VanDerWaalsContact O-N 3.14Å; F58-V61 WeakPolarHBondContact O-CA 3.48Å; F58-V61 WeakPolarHBondContact O-CB 3.3Å; F58-V61 PolarHBondContact O-N 2.89Å; F58-I62 HydrophobicContact CB-CD1 4.14Å; F58-I62 HydrophobicContact CB-CG1 4.46Å; F58-I62 WeakPolarHBondContact O-CG1 3.05Å; F58-I62 PolarHBondContact O-N 3.23Å; F58-L87 HydrophobicContact CB-CD1 4.04Å; F58-L87 HydrophobicContact CD1-CD1 3.88Å; F58-L87 HydrophobicContact CD2-CB 4.22Å; F58-L87 HydrophobicContact CD2-CD1 4.01Å; F58-L87 HydrophobicContact CE1-CB 4.28Å; F58-L87 HydrophobicContact CE1-CD1 4.32Å; F58-L87 HydrophobicContact CE2-CB 3.86Å; F58-L87 HydrophobicContact CE2-CD1 4.45Å; F58-L87 HydrophobicContact CG-CD1 3.71Å; F58-L87 HydrophobicContact CZ-CB 3.89Å
59S95.6Very high94.1Very high28 Ų2843.6 Ų43.620%0.19623%0.228CC..Hα-helixtrans-54.1-38.3-175.356.20000113.1D57 V61 I62 Q63D57-S59 VanDerWaalsContact C-N 3.26Å; D57-S59 PolarHBondContact O-N 3.23Å; D57-S59 WeakPolarHBondContact OD1-CA 3.3Å; D57-S59 WeakPolarHBondContact OD1-CB 3.44Å; D57-S59 PolarHBondContact OD1-N 2.85Å; D57-S59 PolarHBondContact OD1-OG 3.43Å; S59-V61 PolarHBondContact O-N 3.01Å; S59-I62 PolarHBondContact O-N 3.09Å; S59-Q63 WeakPolarHBondContact O-CB 3.28Å; S59-Q63 WeakPolarHBondContact O-CG 3.35Å; S59-Q63 PolarHBondContact O-N 3.19Å
60Y96.5Very high94.8Very high14 Ų1440.9 Ų40.96%0.05521%0.214CC..Hα-helixtrans-62.1-43.1175.8-174.9-102000112.7L3 F13 Q29 I34 F58 N64 F436L3-Y60 HydrophobicContact CD2-CE2 3.52Å; F13-Y60 HydrophobicContact CE1-CE1 4.25Å; F13-Y60 HydrophobicContact CE2-CD1 4.14Å; F13-Y60 HydrophobicContact CE2-CE1 4.11Å; F13-Y60 HydrophobicContact CZ-CD1 4.19Å; F13-Y60 AromaticContact CZ-CE1 3.74Å; F13-Y60 HydrophobicContact CZ-CE1 3.74Å; Q29-Y60 PolarHBondContact OE1-OH 3.45Å; I34-Y60 HydrophobicContact CD1-CE1 4.32Å; F58-Y60 PolarHBondContact O-N 3.33Å; F58-Y60 VanDerWaalsContact O-N 3.14Å; Y60-N64 WeakPolarHBondContact O-CB 3.44Å; Y60-N64 PolarHBondContact O-N 3Å; Y60-N64 PolarHBondContact O-ND2 3.26Å; Y60-F436 HydrophobicContact CD1-CE2 4.48Å; Y60-F436 HydrophobicContact CD2-CB 3.89Å; Y60-F436 HydrophobicContact CD2-CD1 4.15Å; Y60-F436 AromaticContact CD2-CD2 3.96Å; Y60-F436 HydrophobicContact CD2-CD2 3.96Å; Y60-F436 AromaticContact CD2-CG 3.72Å; Y60-F436 HydrophobicContact CD2-CG 3.72Å; Y60-F436 HydrophobicContact CE2-CB 4.43Å; Y60-F436 HydrophobicContact CE2-CD1 4.29Å; Y60-F436 HydrophobicContact CE2-CG 4.28Å; Y60-F436 HydrophobicContact CG-CD1 4.45Å; Y60-F436 AromaticContact CG-CD2 3.81Å; Y60-F436 HydrophobicContact CG-CD2 3.81Å; Y60-F436 HydrophobicContact CG-CE2 4.09Å; Y60-F436 HydrophobicContact CG-CG 4.03Å
61V97.3Very high95.4Very high2 Ų238.6 Ų38.61%0.01219%0.19CC..Hα-helixtrans-65-47.3178.5-176.70000109.8I15 M25 I36 F58 S59 Q63 N64 L65 V68 L87I15-V61 HydrophobicContact CD1-CG2 3.47Å; I15-V61 VanDerWaalsContact CD1-CG2 3.47Å; M25-V61 HydrophobicContact CE-CG2 3.82Å; I36-V61 HydrophobicContact CD1-CG2 4.42Å; F58-V61 WeakPolarHBondContact O-CA 3.48Å; F58-V61 WeakPolarHBondContact O-CB 3.3Å; F58-V61 PolarHBondContact O-N 2.89Å; S59-V61 PolarHBondContact O-N 3.01Å; V61-Q63 PolarHBondContact O-N 3.3Å; V61-N64 CarbonylContact O-C 3.59Å; V61-N64 VanDerWaalsContact O-C 3.28Å; V61-N64 PolarHBondContact O-N 3.48Å; V61-N64 VanDerWaalsContact O-N 3.11Å; V61-L65 WeakPolarHBondContact O-CA 3.23Å; V61-L65 PolarHBondContact O-N 3.46Å; V61-V68 HydrophobicContact CG1-CG2 3.94Å; V61-L87 HydrophobicContact CG1-CD1 4.21Å
62I96.9Very high95.9Very high63 Ų6338 Ų3832%0.32319%0.188SC..Hα-helixtrans-62.1-45-179-63162000110.9F58 S59 N64 L65 Q90F58-I62 HydrophobicContact CB-CD1 4.14Å; F58-I62 HydrophobicContact CB-CG1 4.46Å; F58-I62 WeakPolarHBondContact O-CG1 3.05Å; F58-I62 PolarHBondContact O-N 3.23Å; S59-I62 PolarHBondContact O-N 3.09Å; I62-N64 PolarHBondContact O-N 3.34Å; I62-L65 WeakPolarHBondContact O-CB 3.35Å; I62-L65 PolarHBondContact O-N 3.03Å; I62-Q90 HydrophobicContact CD1-CB 3.81Å; I62-Q90 HydrophobicContact CD1-CG 4.4Å; I62-Q90 HydrophobicContact CG1-CB 4.2Å
63Q96.4Very high96.6Very high146 Ų14634.4 Ų34.468%0.68217%0.168SC*.Hα-helixtrans-65.1-21.9177.9-72.2172.316.400113.4S59 V61S59-Q63 WeakPolarHBondContact O-CB 3.28Å; S59-Q63 WeakPolarHBondContact O-CG 3.35Å; S59-Q63 PolarHBondContact O-N 3.19Å; V61-Q63 PolarHBondContact O-N 3.3Å
64N96.7Very high97.1Very high21 Ų2130.3 Ų30.311%0.11215%0.153CC..THydrogen-bonded Turntrans-117.921.7-178.7-66.8-85000112.7I34 Y60 V61 I62 N66 K67 V68I34-N64 HydrophobicContact CD1-CB 3.77Å; Y60-N64 WeakPolarHBondContact O-CB 3.44Å; Y60-N64 PolarHBondContact O-N 3Å; Y60-N64 PolarHBondContact O-ND2 3.26Å; V61-N64 CarbonylContact O-C 3.59Å; V61-N64 VanDerWaalsContact O-C 3.28Å; V61-N64 PolarHBondContact O-N 3.48Å; V61-N64 VanDerWaalsContact O-N 3.11Å; I62-N64 PolarHBondContact O-N 3.34Å; N64-N66 PolarHBondContact O-N 3.46Å; N64-N66 VanDerWaalsContact O-N 3.09Å; N64-K67 HydrophobicContact CB-CD 4.26Å; N64-K67 WeakPolarHBondContact O-CA 3.23Å; N64-K67 WeakPolarHBondContact O-CB 3.23Å; N64-K67 PolarHBondContact O-N 2.91Å; N64-K67 PolarHBondContact OD1-NZ 3.03Å; N64-V68 PolarHBondContact O-N 3.46Å
65L97.2Very high97.3Very high66 Ų6630.4 Ų30.435%0.34615%0.153SC..G310 helixtrans-54.6-37.2-170.4-176.659.1000113V61 I62 K67 V68 A91 I93V61-L65 WeakPolarHBondContact O-CA 3.23Å; V61-L65 PolarHBondContact O-N 3.46Å; I62-L65 WeakPolarHBondContact O-CB 3.35Å; I62-L65 PolarHBondContact O-N 3.03Å; L65-K67 PolarHBondContact O-N 3.35Å; L65-V68 PolarHBondContact O-N 3.24Å; L65-V68 VanDerWaalsContact O-N 3.17Å; L65-A91 HydrophobicContact CD1-CB 3.64Å; L65-A91 HydrophobicContact CD2-CB 4.5Å; L65-I93 HydrophobicContact CD1-CG2 3.51Å
66N97.2Very high97.2Very high125 Ų12530.5 Ų30.567%0.66815%0.154SC*.G310 helixtrans-63.7-20176.865.4-36.1000114.5N64 K69N64-N66 PolarHBondContact O-N 3.46Å; N64-N66 VanDerWaalsContact O-N 3.09Å; N66-K69 PolarHBondContact O-NZ 2.98Å
67K97.9Very high97.1Very high58 Ų5831.5 Ų31.525%0.25216%0.159SC..G310 helixtrans-92-24.5176.9-57.2177.3-169.9161.70112.4D32 E33 I34 N64 L65 K69D32-K67 VanDerWaalsContact O-CA 3.31Å; D32-K67 WeakPolarHBondContact O-CA 3.49Å; D32-K67 WeakPolarHBondContact O-CB 3.22Å; E33-K67 CarbonylContact C-O 3.57Å; E33-K67 WeakPolarHBondContact CA-O 3.38Å; I34-K67 HydrophobicContact CD1-CB 3.86Å; I34-K67 HydrophobicContact CD1-CD 4.35Å; I34-K67 HydrophobicContact CG1-CB 3.94Å; I34-K67 PolarHBondContact N-O 3.44Å; N64-K67 HydrophobicContact CB-CD 4.26Å; N64-K67 WeakPolarHBondContact O-CA 3.23Å; N64-K67 WeakPolarHBondContact O-CB 3.23Å; N64-K67 PolarHBondContact O-N 2.91Å; N64-K67 PolarHBondContact OD1-NZ 3.03Å; L65-K67 PolarHBondContact O-N 3.35Å; K67-K69 WeakPolarHBondContact O-CE 3.41Å; K67-K69 WeakPolarHBondContact O-CG 3.23Å; K67-K69 PolarHBondContact O-N 2.95Å
68V98.4Very high96.8Very high13 Ų1333.4 Ų33.48%0.07917%0.166CC..EExtended strand (participates in β ladder)trans-66.9123.2179.9-175.90000109.3I34 I36 V61 N64 L65 I93I34-V68 HydrophobicContact CB-CG2 4.36Å; I34-V68 HydrophobicContact CG2-CG2 4.48Å; I34-V68 WeakPolarHBondContact O-CA 3.33Å; I36-V68 HydrophobicContact CG1-CG1 4.19Å; V61-V68 HydrophobicContact CG1-CG2 3.94Å; N64-V68 PolarHBondContact O-N 3.46Å; L65-V68 PolarHBondContact O-N 3.24Å; L65-V68 VanDerWaalsContact O-N 3.17Å; V68-I93 HydrophobicContact CB-CG2 4.37Å; V68-I93 HydrophobicContact CG1-CB 4.41Å; V68-I93 HydrophobicContact CG1-CD1 3.98Å; V68-I93 HydrophobicContact CG1-CG2 3.98Å
69K98.4Very high96.7Very high61 Ų6134.6 Ų34.627%0.26517%0.173SC..EExtended strand (participates in β ladder)trans-105.5-31.6-177.4-56.4-52178.6-163.60113.1E33 I34 I35 N66 K67 F131E33-K69 HydrophobicContact CB-CG 4.05Å; E33-K69 HydrophobicContact CG-CG 4.2Å; I34-K69 PolarHBondContact O-N 3.3Å; I35-K69 HydrophobicContact CD1-CB 4.01Å; N66-K69 PolarHBondContact O-NZ 2.98Å; K67-K69 WeakPolarHBondContact O-CE 3.41Å; K67-K69 WeakPolarHBondContact O-CG 3.23Å; K67-K69 PolarHBondContact O-N 2.95Å; K69-F131 HydrophobicContact CB-CD1 3.76Å; K69-F131 HydrophobicContact CB-CD2 4.25Å; K69-F131 HydrophobicContact CB-CE1 3.59Å; K69-F131 HydrophobicContact CB-CE2 4.1Å; K69-F131 HydrophobicContact CB-CG 4.08Å; K69-F131 HydrophobicContact CB-CZ 3.77Å; K69-F131 HydrophobicContact CG-CD1 4.18Å; K69-F131 HydrophobicContact CG-CE1 4.49Å; K69-F131 HydrophobicContact CG-CG 4.28Å
70A98.4Very high96.8Very high0 Ų033.2 Ų33.20%016%0.164CC..EExtended strand (participates in β ladder)trans-157.3145.3-178.500000111I36 V72 Y96 F131I36-A70 PolarHBondContact N-O 3.31Å; A70-V72 HydrophobicContact CB-CG2 3.97Å; A70-Y96 HydrophobicContact CB-CD2 3.65Å; A70-Y96 HydrophobicContact CB-CE2 3.58Å; A70-F131 HydrophobicContact CB-CE2 4.43Å; A70-F131 HydrophobicContact CB-CZ 3.86Å
71L98.8Very high96.9Very high0 Ų032.6 Ų32.60%016%0.161CC..EExtended strand (participates in β ladder)trans-98.5120.1152.7173.760.4000108.1I36 D38 A39 I73 V84 L87 I93 P94 I95 Y96I36-L71 HydrophobicContact CB-CD1 4.05Å; I36-L71 HydrophobicContact CG2-CD1 3.58Å; D38-L71 WeakPolarHBondContact O-CD1 3.37Å; A39-L71 HydrophobicContact CB-CD1 4.18Å; A39-L71 HydrophobicContact CB-CD2 4.23Å; L71-I73 HydrophobicContact CD1-CD1 4.07Å; L71-I73 HydrophobicContact CD2-CD1 4.17Å; L71-I73 HydrophobicContact CG-CD1 3.87Å; L71-V84 HydrophobicContact CD2-CG2 4.06Å; L71-L87 HydrophobicContact CD2-CD2 4.1Å; L71-I93 HydrophobicContact CB-CD1 3.8Å; L71-I93 HydrophobicContact CB-CG1 4.25Å; L71-P94 PolarHBondContact N-O 3.41Å; L71-I95 HydrophobicContact CB-CG1 4.39Å; L71-I95 HydrophobicContact CD2-CD1 4.24Å; L71-I95 HydrophobicContact CD2-CG1 4.12Å; L71-I95 CarbonylContact O-C 3.57Å; L71-I95 WeakPolarHBondContact O-CA 3.37Å; L71-Y96 PolarHBondContact O-N 2.83Å
72V98.8Very high96.7Very high0 Ų032.8 Ų32.80%016%0.163CC..EExtended strand (participates in β ladder)trans-111.9131.7-178177.80000108.4I35 I36 I37 D38 A70 Y96 V136 F138 V151I35-V72 HydrophobicContact CG2-CG2 4Å; I36-V72 PolarHBondContact O-N 3.3Å; I37-V72 CarbonylContact C-O 3.57Å; I37-V72 WeakPolarHBondContact CA-O 3.49Å; D38-V72 PolarHBondContact N-O 2.91Å; A70-V72 HydrophobicContact CB-CG2 3.97Å; V72-Y96 CarbonylContact C-O 3.5Å; V72-Y96 WeakPolarHBondContact CA-O 3.23Å; V72-V136 HydrophobicContact CG1-CG1 4.44Å; V72-V136 HydrophobicContact CG2-CG1 4.28Å; V72-F138 HydrophobicContact CG1-CE1 3.42Å; V72-F138 VanDerWaalsContact CG1-CE1 3.42Å; V72-F138 HydrophobicContact CG1-CZ 3.87Å; V72-V151 HydrophobicContact CG1-CG1 4.22Å; V72-V151 HydrophobicContact CG1-CG2 3.91Å
73I98.8Very high96.7Very high0 Ų029.8 Ų29.80%015%0.148CC..EExtended strand (participates in β ladder)trans-109.5124.9-174.6-55.5-60.5000110.2D38 L71 H75 I81 V84 I95 Y96 A97 A101 I105D38-I73 VanDerWaalsContact OD1-CA 3.31Å; D38-I73 WeakPolarHBondContact OD1-CA 3.44Å; L71-I73 HydrophobicContact CD1-CD1 4.07Å; L71-I73 HydrophobicContact CD2-CD1 4.17Å; L71-I73 HydrophobicContact CG-CD1 3.87Å; I73-H75 WeakPolarHBondContact CG2-O 3.46Å; I73-I81 HydrophobicContact CG2-CG2 3.51Å; I73-V84 HydrophobicContact CD1-CG2 4.27Å; I73-I95 HydrophobicContact CG1-CG2 4Å; I73-Y96 PolarHBondContact N-O 3.04Å; I73-A97 HydrophobicContact CB-CB 3.7Å; I73-A97 HydrophobicContact CG1-CB 3.97Å; I73-A97 HydrophobicContact CG2-CB 4.31Å; I73-A101 HydrophobicContact CG2-CB 3.93Å; I73-I105 HydrophobicContact CD1-CD1 4.39Å; I73-I105 HydrophobicContact CG1-CD1 3.82Å; I73-I105 HydrophobicContact CG2-CD1 4.37Å
74T98.7Very high96.8Very high2 Ų222.9 Ų22.91%0.01212%0.116CC..SBendtrans-74.3-45.9179.8620000111.2I37 D38 L149 V151 E162I37-T74 HydrophobicContact CG2-CG2 3.64Å; D38-T74 VanDerWaalsContact CG-OG1 3.3Å; D38-T74 PolarHBondContact OD1-N 3.03Å; D38-T74 PolarHBondContact OD1-OG1 2.86Å; D38-T74 WeakPolarHBondContact OD2-CB 3.27Å; D38-T74 WeakPolarHBondContact OD2-CG2 3.47Å; D38-T74 PolarHBondContact OD2-OG1 2.79Å; T74-L149 WeakPolarHBondContact CA-O 3.4Å; T74-L149 WeakPolarHBondContact CB-O 3.49Å; T74-L149 PolarHBondContact O-N 3.28Å; T74-V151 HydrophobicContact CG2-CG2 3.98Å; T74-E162 VanDerWaalsContact CG2-OE2 3.23Å; T74-E162 WeakPolarHBondContact CG2-OE2 3.4Å
75H97.3Very high96.7Very high2 Ų222 Ų221%0.00911%0.111CC..  trans-162.6176.3179.370.5-75.1000111.9I73 H77 H80 I81 H143 I145 P148 D165I73-H75 WeakPolarHBondContact CG2-O 3.46Å; H75-H77 AromaticContact CD2-CG 3.5Å; H75-H77 VanDerWaalsContact CD2-CG 3.5Å; H75-H77 AromaticContact CD2-ND1 3.31Å; H75-H77 PolarHBondContact CD2-ND1 2.92Å; H75-H77 VanDerWaalsContact CD2-ND1 3.31Å; H75-H77 WeakPolarHBondContact NE2-CB 3.48Å; H75-H77 AromaticContact NE2-CG 3.4Å; H75-H77 AromaticContact NE2-ND1 2.97Å; H75-H77 PolarHBondContact NE2-ND1 2.94Å; H75-H80 AromaticContact CE1-CD2 3.18Å; H75-H80 PolarHBondContact CE1-CD2 3.03Å; H75-H80 AromaticContact CE1-CE1 3.42Å; H75-H80 PolarHBondContact CE1-CE1 2.87Å; H75-H80 VanDerWaalsContact CE1-CE1 3.42Å; H75-H80 AromaticContact CE1-CG 3.31Å; H75-H80 AromaticContact CE1-ND1 3.45Å; H75-H80 PolarHBondContact CE1-ND1 2.99Å; H75-H80 AromaticContact CE1-NE2 3.29Å; H75-H80 PolarHBondContact CE1-NE2 3.33Å; H75-H80 VanDerWaalsContact CE1-NE2 3.29Å; H75-H80 AromaticContact ND1-CG 3.83Å; H75-H80 AromaticContact ND1-ND1 3.84Å; H75-H80 AromaticContact NE2-CD2 3.49Å; H75-H80 PolarHBondContact NE2-CD2 2.99Å; H75-H80 AromaticContact NE2-CG 3.9Å; H75-H80 AromaticContact NE2-NE2 3.87Å; H75-I81 VanDerWaalsContact O-CG2 3.26Å; H75-I81 WeakPolarHBondContact O-CG2 3.39Å; H75-H143 AromaticContact CD2-CD2 3.76Å; H75-H143 AromaticContact NE2-CD2 3.68Å; H75-H143 AromaticContact NE2-NE2 3.76Å; H75-I145 HydrophobicContact CB-CG2 3.82Å; H75-P148 HydrophobicContact CB-CB 4.19Å; H75-D165 IonicContact CE1-OD2 2.68Å; H75-D165 IonicContact NE2-OD2 3.92Å
76G94.6Very high96.6Very high3 Ų319.7 Ų19.73%0.03110%0.098CC..  trans-93.419.3-167.700000117.6I81 L104G76-I81 WeakPolarHBondContact O-CD1 3.42Å; G76-L104 WeakPolarHBondContact O-CD1 3.37Å
77H92.6Very high96.6Very high23 Ų2313.7 Ų13.711%0.1067%0.066CC..  trans-77.1152.7176.6-73.1153.5000113.1H75 D79 H80 I81 H143 S144 S234H75-H77 AromaticContact CD2-CG 3.5Å; H75-H77 VanDerWaalsContact CD2-CG 3.5Å; H75-H77 AromaticContact CD2-ND1 3.31Å; H75-H77 PolarHBondContact CD2-ND1 2.92Å; H75-H77 VanDerWaalsContact CD2-ND1 3.31Å; H75-H77 WeakPolarHBondContact NE2-CB 3.48Å; H75-H77 AromaticContact NE2-CG 3.4Å; H75-H77 AromaticContact NE2-ND1 2.97Å; H75-H77 PolarHBondContact NE2-ND1 2.94Å; H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 WeakPolarHBondContact CB-OD1 3.43Å; H77-D79 PolarHBondContact O-N 3.21Å; H77-H80 CarbonylContact O-C 3.54Å; H77-H80 WeakPolarHBondContact O-CA 3.32Å; H77-H80 PolarHBondContact O-N 2.84Å; H77-I81 WeakPolarHBondContact O-CG1 3.43Å; H77-I81 PolarHBondContact O-N 2.79Å; H77-H143 AromaticContact CE1-CD2 3.67Å; H77-H143 AromaticContact CE1-NE2 3.19Å; H77-H143 PolarHBondContact CE1-NE2 3.33Å; H77-H143 AromaticContact ND1-CD2 3.79Å; H77-H143 AromaticContact ND1-NE2 3.28Å; H77-H143 PolarHBondContact ND1-NE2 3.43Å; H77-S144 PolarHBondContact CE1-OG 2.99Å; H77-S144 VanDerWaalsContact CE1-OG 3.23Å; H77-S234 PolarHBondContact CD2-OG 3.03Å; H77-S234 PolarHBondContact NE2-OG 3.28Å
78E90.3Very high96.5Very high70 Ų7011.7 Ų11.733%0.3276%0.058SC..Hα-helixtrans-57.2-38.3-177.5-68.5-58.8151.600113I41 F43 H80 I81 G82 K108I41-E78 HydrophobicContact CD1-CB 4.14Å; I41-E78 HydrophobicContact CG1-CB 4.04Å; I41-E78 WeakPolarHBondContact CG1-O 3.45Å; I41-E78 PolarHBondContact N-O 2.98Å; F43-E78 HydrophobicContact CE2-CB 4.42Å; F43-E78 HydrophobicContact CZ-CB 4.28Å; F43-E78 HydrophobicContact CZ-CG 4.42Å; E78-H80 PolarHBondContact O-N 3.48Å; E78-H80 VanDerWaalsContact O-N 3.13Å; E78-I81 PolarHBondContact O-N 3.07Å; E78-G82 VanDerWaalsContact O-CA 3.31Å; E78-G82 WeakPolarHBondContact O-CA 3.46Å; E78-G82 PolarHBondContact O-N 2.81Å; E78-K108 VanDerWaalsContact OE1-CE 3.29Å; E78-K108 WeakPolarHBondContact OE1-CE 3.34Å; E78-K108 IonicContact OE1-NZ 2.82Å; E78-K108 PolarHBondContact OE1-NZ 2.84Å; E78-K108 WeakPolarHBondContact OE2-CE 3.48Å; E78-K108 IonicContact OE2-NZ 2.69Å; E78-K108 PolarHBondContact OE2-NZ 2.67Å
79D94.5Very high96.3Very high29 Ų2916 Ų1616%0.1558%0.075CC..Hα-helixtrans-71.72.8174.856.1-31.8000114.8N24 G40 I41 H77 H391N24-D79 VanDerWaalsContact CB-O 3.25Å; N24-D79 WeakPolarHBondContact CB-O 3.44Å; N24-D79 PolarHBondContact N-O 3.38Å; N24-D79 PolarHBondContact ND2-O 3.24Å; G40-D79 VanDerWaalsContact CA-O 3.25Å; G40-D79 WeakPolarHBondContact CA-O 3.02Å; I41-D79 VanDerWaalsContact O-CA 3.27Å; I41-D79 WeakPolarHBondContact O-CA 3.47Å; H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 WeakPolarHBondContact CB-OD1 3.43Å; H77-D79 PolarHBondContact O-N 3.21Å; D79-H391 IonicContact OD2-NE2 3.46Å; D79-H391 PolarHBondContact OD2-NE2 3.48Å
80H97.8Very high96.1Very high0 Ų017.7 Ų17.70%08%0.084CC..Hα-helixtrans-125.2-25.6172.6-66-101.9000113.3N24 D38 A39 G40 H75 H77 E78 D165 H391N24-H80 PolarHBondContact ND2-NE2 3.23Å; D38-H80 HydrophobicContact CB-CB 4.09Å; D38-H80 IonicContact OD2-CE1 2.61Å; D38-H80 IonicContact OD2-CG 3.46Å; D38-H80 IonicContact OD2-ND1 2.68Å; D38-H80 PolarHBondContact OD2-ND1 3.46Å; A39-H80 CarbonylContact C-O 3.55Å; A39-H80 PolarHBondContact N-O 2.97Å; G40-H80 PolarHBondContact N-O 3.21Å; H75-H80 AromaticContact CE1-CD2 3.18Å; H75-H80 PolarHBondContact CE1-CD2 3.03Å; H75-H80 AromaticContact CE1-CE1 3.42Å; H75-H80 PolarHBondContact CE1-CE1 2.87Å; H75-H80 VanDerWaalsContact CE1-CE1 3.42Å; H75-H80 AromaticContact CE1-CG 3.31Å; H75-H80 AromaticContact CE1-ND1 3.45Å; H75-H80 PolarHBondContact CE1-ND1 2.99Å; H75-H80 AromaticContact CE1-NE2 3.29Å; H75-H80 PolarHBondContact CE1-NE2 3.33Å; H75-H80 VanDerWaalsContact CE1-NE2 3.29Å; H75-H80 AromaticContact ND1-CG 3.83Å; H75-H80 AromaticContact ND1-ND1 3.84Å; H75-H80 AromaticContact NE2-CD2 3.49Å; H75-H80 PolarHBondContact NE2-CD2 2.99Å; H75-H80 AromaticContact NE2-CG 3.9Å; H75-H80 AromaticContact NE2-NE2 3.87Å; H77-H80 CarbonylContact O-C 3.54Å; H77-H80 WeakPolarHBondContact O-CA 3.32Å; H77-H80 PolarHBondContact O-N 2.84Å; E78-H80 PolarHBondContact O-N 3.48Å; E78-H80 VanDerWaalsContact O-N 3.13Å; H80-D165 IonicContact CE1-OD1 2.66Å; H80-D165 PolarHBondContact CE1-OD1 3.23Å; H80-D165 VanDerWaalsContact CE1-OD1 3.25Å; H80-D165 IonicContact CE1-OD2 3.73Å; H80-D165 IonicContact NE2-OD1 3.83Å; H80-D165 PolarHBondContact NE2-OD1 3.29Å; H80-D165 IonicContact NE2-OD2 2.84Å; H80-D165 PolarHBondContact NE2-OD2 2.93Å; H80-H391 AromaticContact CE1-CD2 3.85Å; H80-H391 AromaticContact NE2-CD2 3.61Å; H80-H391 AromaticContact NE2-NE2 3.56Å
81I97Very high95.9Very high1 Ų117.8 Ų17.81%0.0059%0.085CC..Hα-helixtrans-122.1-14.9-177.771.6164.9000115.1A39 I73 H75 G76 H77 E78 G83 V84 L104 I105 K108A39-I81 CarbonylContact O-C 3.51Å; A39-I81 VanDerWaalsContact O-C 3.31Å; I73-I81 HydrophobicContact CG2-CG2 3.51Å; H75-I81 VanDerWaalsContact O-CG2 3.26Å; H75-I81 WeakPolarHBondContact O-CG2 3.39Å; G76-I81 WeakPolarHBondContact O-CD1 3.42Å; H77-I81 WeakPolarHBondContact O-CG1 3.43Å; H77-I81 PolarHBondContact O-N 2.79Å; E78-I81 PolarHBondContact O-N 3.07Å; I81-G83 PolarHBondContact O-N 3.33Å; I81-V84 HydrophobicContact CB-CG2 4.4Å; I81-V84 VanDerWaalsContact O-CB 3.26Å; I81-V84 WeakPolarHBondContact O-CB 3.45Å; I81-V84 WeakPolarHBondContact O-CG2 3.37Å; I81-V84 PolarHBondContact O-N 2.89Å; I81-V84 VanDerWaalsContact O-N 3.12Å; I81-L104 HydrophobicContact CD1-CB 3.68Å; I81-I105 HydrophobicContact CB-CD1 4.29Å; I81-I105 HydrophobicContact CB-CG1 3.97Å; I81-I105 HydrophobicContact CD1-CG1 3.98Å; I81-I105 HydrophobicContact CG2-CD1 4.04Å; I81-I105 HydrophobicContact CG2-CG1 4.18Å; I81-K108 HydrophobicContact CD1-CD 4.15Å; I81-K108 HydrophobicContact CG1-CD 4.39Å
82G94.3Very high95.5Very high5 Ų522.3 Ų22.35%0.05211%0.109CC..THydrogen-bonded Turntrans-68.6-22.1-171.300000113.6I41 E78 P85 Y86I41-G82 WeakPolarHBondContact CG2-O 3.5Å; E78-G82 VanDerWaalsContact O-CA 3.31Å; E78-G82 WeakPolarHBondContact O-CA 3.46Å; E78-G82 PolarHBondContact O-N 2.81Å; G82-P85 WeakPolarHBondContact O-CD 3.26Å; G82-Y86 WeakPolarHBondContact O-CD2 3.34Å
83G96.4Very high95.4Very high0 Ų022.6 Ų22.60%011%0.11CC..THydrogen-bonded Turntrans-80.3-15.3175.400000113.7A39 I81 Y86 L87A39-G83 CarbonylContact O-C 3.57Å; A39-G83 WeakPolarHBondContact O-CA 3.22Å; A39-G83 PolarHBondContact O-N 2.95Å; I81-G83 PolarHBondContact O-N 3.33Å; G83-Y86 PolarHBondContact O-N 3Å; G83-Y86 VanDerWaalsContact O-N 3.08Å; G83-L87 PolarHBondContact O-N 3.32Å
84V97.8Very high95.4Very high1 Ų123.9 Ų23.91%0.00612%0.119CC..Hα-helixtrans-54.1-47.9-176.6174.20000113A39 L71 I73 I81 Y86 L87 L88 I95 I105 L109A39-V84 HydrophobicContact CB-CG2 4Å; A39-V84 PolarHBondContact O-N 3.44Å; L71-V84 HydrophobicContact CD2-CG2 4.06Å; I73-V84 HydrophobicContact CD1-CG2 4.27Å; I81-V84 HydrophobicContact CB-CG2 4.4Å; I81-V84 VanDerWaalsContact O-CB 3.26Å; I81-V84 WeakPolarHBondContact O-CB 3.45Å; I81-V84 WeakPolarHBondContact O-CG2 3.37Å; I81-V84 PolarHBondContact O-N 2.89Å; I81-V84 VanDerWaalsContact O-N 3.12Å; V84-Y86 VanDerWaalsContact C-N 3.27Å; V84-Y86 PolarHBondContact O-N 2.92Å; V84-L87 PolarHBondContact O-N 2.8Å; V84-L88 HydrophobicContact CG1-CD1 4.36Å; V84-L88 HydrophobicContact CG1-CG 4.37Å; V84-L88 PolarHBondContact O-N 2.87Å; V84-I95 HydrophobicContact CG1-CD1 3.53Å; V84-I105 HydrophobicContact CG1-CG2 4.13Å; V84-L109 HydrophobicContact CG1-CD2 4.37Å
85P95.6Very high95.4Very high2 Ų223.8 Ų23.81%0.01312%0.119CC..Hα-helixtrans-62.2-35.4179.2-21.634.2000112.8G82 K89 K108 L109 H112 L114G82-P85 WeakPolarHBondContact O-CD 3.26Å; P85-K89 WeakPolarHBondContact O-CG 3.44Å; P85-K89 PolarHBondContact O-N 2.99Å; P85-K108 HydrophobicContact CG-CB 3.93Å; P85-L109 HydrophobicContact CB-CD2 4.26Å; P85-L109 HydrophobicContact CG-CD2 4.24Å; P85-H112 HydrophobicContact CB-CB 4.16Å; P85-H112 WeakPolarHBondContact CB-CD2 3.47Å; P85-L114 HydrophobicContact CB-CD1 4.26Å; P85-L114 VanDerWaalsContact O-CD1 3.28Å; P85-L114 WeakPolarHBondContact O-CD1 3.3Å
86Y95.9Very high95.4Very high18 Ų1825.2 Ų25.27%0.07112%0.124CC..Hα-helixtrans-72.9-36.6179.2-58.2-87.1000112I41 I55 G82 G83 V84 V443 I448I41-Y86 HydrophobicContact CG2-CE2 4.44Å; I55-Y86 HydrophobicContact CD1-CD1 3.98Å; I55-Y86 HydrophobicContact CD1-CG 3.84Å; I55-Y86 HydrophobicContact CG2-CD2 4.07Å; I55-Y86 HydrophobicContact CG2-CE2 4.4Å; I55-Y86 HydrophobicContact CG2-CG 4.32Å; G82-Y86 WeakPolarHBondContact O-CD2 3.34Å; G83-Y86 PolarHBondContact O-N 3Å; G83-Y86 VanDerWaalsContact O-N 3.08Å; V84-Y86 VanDerWaalsContact C-N 3.27Å; V84-Y86 PolarHBondContact O-N 2.92Å; Y86-V443 HydrophobicContact CD1-CG2 4.28Å; Y86-V443 HydrophobicContact CE1-CG1 3.84Å; Y86-V443 HydrophobicContact CE1-CG2 3.88Å; Y86-I448 HydrophobicContact CD1-CD1 3.64Å; Y86-I448 HydrophobicContact CD1-CG1 3.95Å; Y86-I448 HydrophobicContact CE1-CD1 4.02Å; Y86-I448 HydrophobicContact CE1-CG1 4.05Å
87L96.7Very high95.6Very high0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-65.4-48.6173.6176.960000111.1M25 A39 F58 V61 L71 G83 V84 K89 Q90 A91 I93M25-L87 HydrophobicContact CE-CD1 4.4Å; M25-L87 HydrophobicContact CE-CD2 3.82Å; A39-L87 HydrophobicContact CB-CD2 4.09Å; F58-L87 HydrophobicContact CB-CD1 4.04Å; F58-L87 HydrophobicContact CD1-CD1 3.88Å; F58-L87 HydrophobicContact CD2-CB 4.22Å; F58-L87 HydrophobicContact CD2-CD1 4.01Å; F58-L87 HydrophobicContact CE1-CB 4.28Å; F58-L87 HydrophobicContact CE1-CD1 4.32Å; F58-L87 HydrophobicContact CE2-CB 3.86Å; F58-L87 HydrophobicContact CE2-CD1 4.45Å; F58-L87 HydrophobicContact CG-CD1 3.71Å; F58-L87 HydrophobicContact CZ-CB 3.89Å; V61-L87 HydrophobicContact CG1-CD1 4.21Å; L71-L87 HydrophobicContact CD2-CD2 4.1Å; G83-L87 PolarHBondContact O-N 3.32Å; V84-L87 PolarHBondContact O-N 2.8Å; L87-K89 PolarHBondContact O-N 2.86Å; L87-Q90 PolarHBondContact O-N 3.17Å; L87-A91 HydrophobicContact CD1-CB 4.2Å; L87-A91 PolarHBondContact O-N 2.78Å; L87-I93 HydrophobicContact CD2-CD1 4.03Å
88L96Very high95.8Very high16 Ų1624.2 Ų24.28%0.08412%0.12CC..Hα-helixtrans-64.2-26.2-178.3-76.2-170.1000113.8V84 Q90 A91 I93 I95 L109 L114 A118V84-L88 HydrophobicContact CG1-CD1 4.36Å; V84-L88 HydrophobicContact CG1-CG 4.37Å; V84-L88 PolarHBondContact O-N 2.87Å; L88-Q90 PolarHBondContact O-N 2.83Å; L88-A91 WeakPolarHBondContact CD2-O 3.22Å; L88-I93 HydrophobicContact CD2-CG1 4.35Å; L88-I95 HydrophobicContact CD1-CD1 3.79Å; L88-I95 HydrophobicContact CD2-CD1 4.18Å; L88-I95 HydrophobicContact CG-CD1 4.17Å; L88-L109 HydrophobicContact CD1-CD1 3.95Å; L88-L109 HydrophobicContact CD1-CD2 3.69Å; L88-L109 HydrophobicContact CD1-CG 4.49Å; L88-L114 HydrophobicContact CB-CD1 4.36Å; L88-A118 HydrophobicContact CD1-CB 3.88Å
89K93.9Very high96.1Very high102 Ų10221.8 Ų21.844%0.44311%0.111SC..THydrogen-bonded Turntrans-60.3-25170.7-76.6175.5179.4179.80113.1P85 L87 L114 I448P85-K89 WeakPolarHBondContact O-CG 3.44Å; P85-K89 PolarHBondContact O-N 2.99Å; L87-K89 PolarHBondContact O-N 2.86Å; K89-L114 HydrophobicContact CG-CD1 3.91Å; K89-L114 HydrophobicContact CG-CD2 4.27Å; K89-I448 HydrophobicContact CD-CD1 4.15Å
90Q93.8Very high96Very high98 Ų9820.4 Ų20.446%0.45810%0.104SC..THydrogen-bonded Turntrans-112.3-26.7-175.1-60.8-178.168.700112.8I62 L87 L88I62-Q90 HydrophobicContact CD1-CB 3.81Å; I62-Q90 HydrophobicContact CD1-CG 4.4Å; I62-Q90 HydrophobicContact CG1-CB 4.2Å; L87-Q90 PolarHBondContact O-N 3.17Å; L88-Q90 PolarHBondContact O-N 2.83Å
91A93.3Very high95.9Very high1 Ų120.7 Ų20.71%0.00811%0.106CC..  trans-146.5102.6-175.100000110.7L65 L87 L88 I93L65-A91 HydrophobicContact CD1-CB 3.64Å; L65-A91 HydrophobicContact CD2-CB 4.5Å; L87-A91 HydrophobicContact CD1-CB 4.2Å; L87-A91 PolarHBondContact O-N 2.78Å; L88-A91 WeakPolarHBondContact CD2-O 3.22Å; A91-I93 HydrophobicContact CB-CG2 4.49Å; A91-I93 PolarHBondContact O-N 3.27Å
92N91.5Very high95.8Very high96 Ų9620.8 Ų20.851%0.51311%0.107SC..  trans-77.7107.2173.6-165.113.8000110.2D117N92-D117 PolarHBondContact ND2-O 2.95Å; N92-D117 PolarHBondContact OD1-O 3.43Å
93I96.5Very high95.8Very high5 Ų521.3 Ų21.33%0.02611%0.111CC..  trans-131.4149.4-176.358.6178.9000110.7L65 V68 L71 L87 L88 A91 I95L65-I93 HydrophobicContact CD1-CG2 3.51Å; V68-I93 HydrophobicContact CB-CG2 4.37Å; V68-I93 HydrophobicContact CG1-CB 4.41Å; V68-I93 HydrophobicContact CG1-CD1 3.98Å; V68-I93 HydrophobicContact CG1-CG2 3.98Å; L71-I93 HydrophobicContact CB-CD1 3.8Å; L71-I93 HydrophobicContact CB-CG1 4.25Å; L87-I93 HydrophobicContact CD2-CD1 4.03Å; L88-I93 HydrophobicContact CD2-CG1 4.35Å; A91-I93 HydrophobicContact CB-CG2 4.49Å; A91-I93 PolarHBondContact O-N 3.27Å; I93-I95 PolarHBondContact O-N 2.86Å
94P98Very high95.6Very high28 Ų2822.8 Ų22.818%0.18212%0.118CC..  trans-63.9131.3177.9-20.232.2000111.9L71 Y96 E119L71-P94 PolarHBondContact N-O 3.41Å; P94-Y96 HydrophobicContact CB-CE2 3.83Å; P94-E119 HydrophobicContact CB-CG 4.31Å
95I98.8Very high95.5Very high0 Ų022.8 Ų22.80%012%0.118CC..EExtended strand (participates in β ladder)trans-107.4129.1-180-53.5-177000109.5L71 I73 V84 L88 I93 I105 E119 L120 H121L71-I95 HydrophobicContact CB-CG1 4.39Å; L71-I95 HydrophobicContact CD2-CD1 4.24Å; L71-I95 HydrophobicContact CD2-CG1 4.12Å; L71-I95 CarbonylContact O-C 3.57Å; L71-I95 WeakPolarHBondContact O-CA 3.37Å; I73-I95 HydrophobicContact CG1-CG2 4Å; V84-I95 HydrophobicContact CG1-CD1 3.53Å; L88-I95 HydrophobicContact CD1-CD1 3.79Å; L88-I95 HydrophobicContact CD2-CD1 4.18Å; L88-I95 HydrophobicContact CG-CD1 4.17Å; I93-I95 PolarHBondContact O-N 2.86Å; I95-I105 HydrophobicContact CG2-CD1 4.34Å; I95-E119 PolarHBondContact N-O 3.2Å; I95-L120 HydrophobicContact CB-CD2 3.91Å; I95-L120 HydrophobicContact CD1-CD2 3.95Å; I95-L120 HydrophobicContact CG1-CD2 4.27Å; I95-L120 HydrophobicContact CG2-CD2 4.46Å; I95-H121 PolarHBondContact O-N 3.4Å
96Y98.8Very high95.5Very high32 Ų3226.6 Ų26.613%0.12514%0.135CC..EExtended strand (participates in β ladder)trans-117.1118.6176-60.8-94.7000109.3A70 L71 V72 I73 P94 H121 I123 I129A70-Y96 HydrophobicContact CB-CD2 3.65Å; A70-Y96 HydrophobicContact CB-CE2 3.58Å; L71-Y96 PolarHBondContact O-N 2.83Å; V72-Y96 CarbonylContact C-O 3.5Å; V72-Y96 WeakPolarHBondContact CA-O 3.23Å; I73-Y96 PolarHBondContact N-O 3.04Å; P94-Y96 HydrophobicContact CB-CE2 3.83Å; Y96-H121 WeakPolarHBondContact CA-O 3.28Å; Y96-H121 HydrophobicContact CD1-CB 3.35Å; Y96-H121 AromaticContact CD1-CG 3.93Å; Y96-H121 HydrophobicContact CE1-CB 3.52Å; Y96-H121 AromaticContact CE1-CD2 3.59Å; Y96-H121 AromaticContact CE1-CG 3.55Å; Y96-H121 HydrophobicContact CG-CB 4.11Å; Y96-H121 AromaticContact CZ-CD2 3.65Å; Y96-I123 HydrophobicContact CD1-CG2 3.95Å; Y96-I123 HydrophobicContact CG-CG2 4.48Å; Y96-I129 HydrophobicContact CD1-CD1 3.37Å; Y96-I129 HydrophobicContact CD1-CG1 3.97Å; Y96-I129 HydrophobicContact CD2-CD1 3.98Å; Y96-I129 HydrophobicContact CE1-CD1 3.9Å; Y96-I129 HydrophobicContact CE1-CG1 4.14Å; Y96-I129 HydrophobicContact CE1-CG2 4.14Å; Y96-I129 HydrophobicContact CE2-CD1 4.41Å; Y96-I129 HydrophobicContact CG-CD1 3.44Å; Y96-I129 VanDerWaalsContact CG-CD1 3.44Å; Y96-I129 HydrophobicContact CG-CG1 4.49Å
97A98.4Very high95.2Very high0 Ų028.2 Ų28.20%015%0.145CC..EExtended strand (participates in β ladder)trans-145.6153.2-177.500000112I73 A101 L102 I105 H121 E122 I123I73-A97 HydrophobicContact CB-CB 3.7Å; I73-A97 HydrophobicContact CG1-CB 3.97Å; I73-A97 HydrophobicContact CG2-CB 4.31Å; A97-A101 HydrophobicContact CB-CB 4.03Å; A97-L102 HydrophobicContact CB-CB 4.15Å; A97-L102 HydrophobicContact CB-CD1 4.24Å; A97-I105 HydrophobicContact CB-CD1 4.27Å; A97-H121 PolarHBondContact N-O 3.32Å; A97-E122 WeakPolarHBondContact O-CA 3.37Å; A97-I123 WeakPolarHBondContact O-CG1 3.48Å; A97-I123 PolarHBondContact O-N 2.97Å
98G97.2Very high95Very high5 Ų530 Ų305%0.05215%0.153CC..  trans-60157.4168.700000112L100 A101 L102 I123G98-L100 VanDerWaalsContact C-N 3.3Å; G98-L100 PolarHBondContact O-N 2.98Å; G98-A101 PolarHBondContact O-N 2.82Å; G98-A101 VanDerWaalsContact O-N 3.11Å; G98-L102 WeakPolarHBondContact O-CB 3.34Å; G98-L102 PolarHBondContact O-N 3.43Å; G98-I123 WeakPolarHBondContact CA-O 3.36Å
99A94.9Very high94.9Very high18 Ų1829.3 Ų29.315%0.14915%0.149CC..Hα-helixtrans-51.3-44.7-172.700000113.7A103 E122 L270A99-A103 WeakPolarHBondContact O-CB 3.31Å; A99-A103 PolarHBondContact O-N 3.01Å; A99-E122 HydrophobicContact CB-CG 4.37Å; A99-L270 HydrophobicContact CB-CD2 4.18Å
100L93.5Very high94.9Very high1 Ų129.7 Ų29.71%0.00516%0.156CC..Hα-helixtrans-66.7-50177.5-179.759.2000112.6G98 L102 A103 L104 I145 P146 I236 L270 Y272G98-L100 VanDerWaalsContact C-N 3.3Å; G98-L100 PolarHBondContact O-N 2.98Å; L100-L102 VanDerWaalsContact C-N 3.26Å; L100-L102 PolarHBondContact O-N 3.23Å; L100-A103 WeakPolarHBondContact O-CB 3.33Å; L100-A103 PolarHBondContact O-N 3.02Å; L100-A103 VanDerWaalsContact O-N 3.14Å; L100-L104 HydrophobicContact CD1-CD1 4.36Å; L100-L104 HydrophobicContact CD1-CG 4.39Å; L100-L104 HydrophobicContact CG-CD1 4.24Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.31Å; L100-I145 HydrophobicContact CD2-CD1 4Å; L100-I145 HydrophobicContact CD2-CG1 3.64Å; L100-P146 HydrophobicContact CD2-CB 3.82Å; L100-P146 HydrophobicContact CD2-CG 3.91Å; L100-I236 HydrophobicContact CD1-CG1 4.35Å; L100-I236 HydrophobicContact CD2-CG1 3.94Å; L100-L270 HydrophobicContact CB-CD1 4.2Å; L100-L270 HydrophobicContact CD1-CD1 4.04Å; L100-Y272 HydrophobicContact CB-CE2 4.03Å; L100-Y272 HydrophobicContact CD2-CE2 4.49Å
101A95.4Very high94.7Very high5 Ų531.8 Ų31.84%0.04117%0.166CC..Hα-helixtrans-59.5-40.4178.400000111.1I73 A97 G98 A103 L104 I105I73-A101 HydrophobicContact CG2-CB 3.93Å; A97-A101 HydrophobicContact CB-CB 4.03Å; G98-A101 PolarHBondContact O-N 2.82Å; G98-A101 VanDerWaalsContact O-N 3.11Å; A101-A103 PolarHBondContact O-N 3.2Å; A101-L104 PolarHBondContact O-N 3.2Å; A101-I105 WeakPolarHBondContact O-CB 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.25Å; A101-I105 WeakPolarHBondContact O-CG1 3.32Å; A101-I105 PolarHBondContact O-N 3.04Å
102L96.1Very high94.6Very high4 Ų435.1 Ų35.12%0.02118%0.181CC..Hα-helixtrans-63.9-39.9175.8-164.764.7000112.3A97 G98 L100 I105 K106 L120 E122A97-L102 HydrophobicContact CB-CB 4.15Å; A97-L102 HydrophobicContact CB-CD1 4.24Å; G98-L102 WeakPolarHBondContact O-CB 3.34Å; G98-L102 PolarHBondContact O-N 3.43Å; L100-L102 VanDerWaalsContact C-N 3.26Å; L100-L102 PolarHBondContact O-N 3.23Å; L102-I105 PolarHBondContact O-N 2.91Å; L102-K106 WeakPolarHBondContact O-CB 3.24Å; L102-K106 WeakPolarHBondContact O-CG 3.48Å; L102-K106 PolarHBondContact O-N 2.73Å; L102-L120 HydrophobicContact CD1-CB 3.74Å; L102-L120 HydrophobicContact CD1-CD1 4.29Å; L102-L120 HydrophobicContact CD1-CD2 4.12Å; L102-L120 HydrophobicContact CD1-CG 4.27Å; L102-E122 HydrophobicContact CD2-CB 3.92Å; L102-E122 HydrophobicContact CD2-CG 4.44Å
103A93.4Very high94.7Very high16 Ų1633.5 Ų33.513%0.13219%0.187CC..Hα-helixtrans-63.9-41175.100000112.1A99 L100 A101 K106 N107 L270A99-A103 WeakPolarHBondContact O-CB 3.31Å; A99-A103 PolarHBondContact O-N 3.01Å; L100-A103 WeakPolarHBondContact O-CB 3.33Å; L100-A103 PolarHBondContact O-N 3.02Å; L100-A103 VanDerWaalsContact O-N 3.14Å; A101-A103 PolarHBondContact O-N 3.2Å; A103-K106 PolarHBondContact O-N 3.29Å; A103-N107 PolarHBondContact O-N 3.43Å; A103-L270 HydrophobicContact CB-CD1 4.22Å
104L92.6Very high94.7Very high30 Ų3034.9 Ų34.916%0.15719%0.194CC..Hα-helixtrans-67.6-42.2176.7-64.7171.7000111.9G76 I81 L100 A101 N107 K108 I145G76-L104 WeakPolarHBondContact O-CD1 3.37Å; I81-L104 HydrophobicContact CD1-CB 3.68Å; L100-L104 HydrophobicContact CD1-CD1 4.36Å; L100-L104 HydrophobicContact CD1-CG 4.39Å; L100-L104 HydrophobicContact CG-CD1 4.24Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.31Å; A101-L104 PolarHBondContact O-N 3.2Å; L104-N107 PolarHBondContact O-N 2.89Å; L104-K108 PolarHBondContact O-N 3.08Å; L104-I145 HydrophobicContact CD1-CD1 4.11Å
105I95.2Very high94.5Very high1 Ų136.4 Ų36.41%0.00520%0.2CC..Hα-helixtrans-62.4-44.9174.7-70.9165.6000110.6I73 I81 V84 I95 A97 A101 L102 N107 K108 L109 L120I73-I105 HydrophobicContact CD1-CD1 4.39Å; I73-I105 HydrophobicContact CG1-CD1 3.82Å; I73-I105 HydrophobicContact CG2-CD1 4.37Å; I81-I105 HydrophobicContact CB-CD1 4.29Å; I81-I105 HydrophobicContact CB-CG1 3.97Å; I81-I105 HydrophobicContact CD1-CG1 3.98Å; I81-I105 HydrophobicContact CG2-CD1 4.04Å; I81-I105 HydrophobicContact CG2-CG1 4.18Å; V84-I105 HydrophobicContact CG1-CG2 4.13Å; I95-I105 HydrophobicContact CG2-CD1 4.34Å; A97-I105 HydrophobicContact CB-CD1 4.27Å; A101-I105 WeakPolarHBondContact O-CB 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.25Å; A101-I105 WeakPolarHBondContact O-CG1 3.32Å; A101-I105 PolarHBondContact O-N 3.04Å; L102-I105 PolarHBondContact O-N 2.91Å; I105-N107 VanDerWaalsContact C-N 3.3Å; I105-N107 PolarHBondContact O-N 3.26Å; I105-K108 PolarHBondContact O-N 3.35Å; I105-K108 VanDerWaalsContact O-N 3.12Å; I105-L109 HydrophobicContact CG2-CD1 3.69Å; I105-L109 HydrophobicContact CG2-CG 3.95Å; I105-L109 VanDerWaalsContact O-CG 3.3Å; I105-L109 WeakPolarHBondContact O-CG 3.29Å; I105-L109 PolarHBondContact O-N 3.16Å; I105-L120 HydrophobicContact CG2-CD2 4.39Å
106K94.8Very high94.3Very high83 Ų8347.6 Ų47.636%0.36124%0.242SC..Hα-helixtrans-54.6-46177.9-79.1169.9178.8168.80112L102 A103 L109 D110 L115 L120L102-K106 WeakPolarHBondContact O-CB 3.24Å; L102-K106 WeakPolarHBondContact O-CG 3.48Å; L102-K106 PolarHBondContact O-N 2.73Å; A103-K106 PolarHBondContact O-N 3.29Å; K106-L109 PolarHBondContact O-N 2.79Å; K106-D110 WeakPolarHBondContact O-CB 3.35Å; K106-D110 PolarHBondContact O-N 3.25Å; K106-L115 HydrophobicContact CB-CD1 4.19Å; K106-L115 HydrophobicContact CG-CD1 3.94Å; K106-L120 HydrophobicContact CD-CD1 4.38Å; K106-L120 HydrophobicContact CG-CD1 3.56Å
107N90.7Very high94Very high52 Ų5251.4 Ų51.428%0.27827%0.265SS..Hα-helixtrans-61.8-44.7177.8-71.6-5.2000111.7A103 L104 I105 L109 D110 E111 N266A103-N107 PolarHBondContact O-N 3.43Å; L104-N107 PolarHBondContact O-N 2.89Å; I105-N107 VanDerWaalsContact C-N 3.3Å; I105-N107 PolarHBondContact O-N 3.26Å; N107-L109 PolarHBondContact O-N 2.65Å; N107-D110 PolarHBondContact O-N 3.38Å; N107-E111 WeakPolarHBondContact O-CG 3.36Å; N107-E111 PolarHBondContact O-N 2.84Å; N107-N266 PolarHBondContact ND2-ND2 2.92Å; N107-N266 VanDerWaalsContact ND2-ND2 3.19Å
108K91.5Very high93.9Very high38 Ų3852.3 Ų52.317%0.16527%0.272CS..Hα-helixtrans-61.9-44.4176-70174-174.2-67.60112.2E78 I81 P85 L104 I105 D110 E111 H112E78-K108 VanDerWaalsContact OE1-CE 3.29Å; E78-K108 WeakPolarHBondContact OE1-CE 3.34Å; E78-K108 IonicContact OE1-NZ 2.82Å; E78-K108 PolarHBondContact OE1-NZ 2.84Å; E78-K108 WeakPolarHBondContact OE2-CE 3.48Å; E78-K108 IonicContact OE2-NZ 2.69Å; E78-K108 PolarHBondContact OE2-NZ 2.67Å; I81-K108 HydrophobicContact CD1-CD 4.15Å; I81-K108 HydrophobicContact CG1-CD 4.39Å; P85-K108 HydrophobicContact CG-CB 3.93Å; L104-K108 PolarHBondContact O-N 3.08Å; I105-K108 PolarHBondContact O-N 3.35Å; I105-K108 VanDerWaalsContact O-N 3.12Å; K108-D110 VanDerWaalsContact C-N 3.27Å; K108-D110 PolarHBondContact O-N 2.92Å; K108-E111 PolarHBondContact O-N 2.82Å; K108-H112 PolarHBondContact O-CD2 2.99Å; K108-H112 PolarHBondContact O-N 2.81Å
109L95.1Very high93.9Very high0 Ų056.6 Ų56.60%029%0.291CS..Hα-helixtrans-65.9-32.6179.6-65.5-178000112V84 P85 L88 I105 K106 N107 H112 G113 L114 L115 A118 L120V84-L109 HydrophobicContact CG1-CD2 4.37Å; P85-L109 HydrophobicContact CB-CD2 4.26Å; P85-L109 HydrophobicContact CG-CD2 4.24Å; L88-L109 HydrophobicContact CD1-CD1 3.95Å; L88-L109 HydrophobicContact CD1-CD2 3.69Å; L88-L109 HydrophobicContact CD1-CG 4.49Å; I105-L109 HydrophobicContact CG2-CD1 3.69Å; I105-L109 HydrophobicContact CG2-CG 3.95Å; I105-L109 VanDerWaalsContact O-CG 3.3Å; I105-L109 WeakPolarHBondContact O-CG 3.29Å; I105-L109 PolarHBondContact O-N 3.16Å; K106-L109 PolarHBondContact O-N 2.79Å; N107-L109 PolarHBondContact O-N 2.65Å; L109-H112 CarbonylContact O-C 3.53Å; L109-H112 PolarHBondContact O-N 3.37Å; L109-G113 PolarHBondContact O-N 3.12Å; L109-L114 HydrophobicContact CB-CB 4.45Å; L109-L114 HydrophobicContact CD2-CB 4.11Å; L109-L114 HydrophobicContact CD2-CD1 4.33Å; L109-L114 PolarHBondContact O-N 3.35Å; L109-L115 HydrophobicContact CB-CB 4.04Å; L109-L115 HydrophobicContact CB-CD1 4.32Å; L109-L115 PolarHBondContact O-N 3.16Å; L109-A118 HydrophobicContact CD1-CB 3.65Å; L109-L120 HydrophobicContact CD1-CD1 4.32Å; L109-L120 HydrophobicContact CD1-CD2 4.03Å
110D93.5Very high94.1Very high110 Ų11057.6 Ų57.659%0.58829%0.294SS*.Hα-helixtrans-67.3-46.6173.9-163.944.9000111.3K106 N107 K108 H112 G113 L115K106-D110 WeakPolarHBondContact O-CB 3.35Å; K106-D110 PolarHBondContact O-N 3.25Å; N107-D110 PolarHBondContact O-N 3.38Å; K108-D110 VanDerWaalsContact C-N 3.27Å; K108-D110 PolarHBondContact O-N 2.92Å; D110-H112 PolarHBondContact O-N 3.1Å; D110-G113 PolarHBondContact O-N 3.17Å; D110-L115 HydrophobicContact CB-CB 4.44Å; D110-L115 HydrophobicContact CB-CD2 4.05Å
111E88.7Confident94.3Very high143 Ų14360.7 Ų60.767%0.66831%0.308SS*.Hα-helixtrans-57.6-31.8175.1-71.9176.2177.200112.7N107 K108N107-E111 WeakPolarHBondContact O-CG 3.36Å; N107-E111 PolarHBondContact O-N 2.84Å; K108-E111 PolarHBondContact O-N 2.82Å
112H91.2Very high94.5Very high70 Ų7066.8 Ų66.832%0.32434%0.336SS..THydrogen-bonded Turntrans-93.1-0.7176.6-74-73.5000114.5P85 K108 L109 D110 L114P85-H112 HydrophobicContact CB-CB 4.16Å; P85-H112 WeakPolarHBondContact CB-CD2 3.47Å; K108-H112 PolarHBondContact O-CD2 2.99Å; K108-H112 PolarHBondContact O-N 2.81Å; L109-H112 CarbonylContact O-C 3.53Å; L109-H112 PolarHBondContact O-N 3.37Å; D110-H112 PolarHBondContact O-N 3.1Å; H112-L114 VanDerWaalsContact C-N 3.31Å; H112-L114 HydrophobicContact CB-CD1 3.99Å; H112-L114 HydrophobicContact CB-CG 4.21Å; H112-L114 PolarHBondContact O-N 3.43Å
113G94.6Very high94.6Very high62 Ų6267.1 Ų67.164%0.63934%0.337SS*.THydrogen-bonded Turntrans69.421.4-179.900000115.2L109 D110L109-G113 PolarHBondContact O-N 3.12Å; D110-G113 PolarHBondContact O-N 3.17Å
114L95.4Very high94.7Very high35 Ų3570.4 Ų70.418%0.18335%0.353CS..  trans-104.5-11.1-175.4-62.7170.2000113.5P85 L88 K89 L109 H112 R116 D117 A118P85-L114 HydrophobicContact CB-CD1 4.26Å; P85-L114 VanDerWaalsContact O-CD1 3.28Å; P85-L114 WeakPolarHBondContact O-CD1 3.3Å; L88-L114 HydrophobicContact CB-CD1 4.36Å; K89-L114 HydrophobicContact CG-CD1 3.91Å; K89-L114 HydrophobicContact CG-CD2 4.27Å; L109-L114 HydrophobicContact CB-CB 4.45Å; L109-L114 HydrophobicContact CD2-CB 4.11Å; L109-L114 HydrophobicContact CD2-CD1 4.33Å; L109-L114 PolarHBondContact O-N 3.35Å; H112-L114 VanDerWaalsContact C-N 3.31Å; H112-L114 HydrophobicContact CB-CD1 3.99Å; H112-L114 HydrophobicContact CB-CG 4.21Å; H112-L114 PolarHBondContact O-N 3.43Å; L114-R116 PolarHBondContact O-N 3.13Å; L114-R116 VanDerWaalsContact O-N 3.14Å; L114-D117 PolarHBondContact O-N 2.92Å; L114-A118 PolarHBondContact O-N 3.26Å
115L95.2Very high94.9Very high59 Ų5970.3 Ų70.331%0.30935%0.352SS..THydrogen-bonded Turntrans-56.7-35.5-170.9178.959.9000113.5K106 L109 D110 D117 L120K106-L115 HydrophobicContact CB-CD1 4.19Å; K106-L115 HydrophobicContact CG-CD1 3.94Å; L109-L115 HydrophobicContact CB-CB 4.04Å; L109-L115 HydrophobicContact CB-CD1 4.32Å; L109-L115 PolarHBondContact O-N 3.16Å; D110-L115 HydrophobicContact CB-CB 4.44Å; D110-L115 HydrophobicContact CB-CD2 4.05Å; L115-D117 VanDerWaalsContact C-N 3.32Å; L115-D117 PolarHBondContact O-N 2.92Å; L115-L120 HydrophobicContact CD1-CD1 3.91Å
116R94.6Very high95Very high235 Ų23575.4 Ų75.489%0.88738%0.379SS*.THydrogen-bonded Turntrans-66.1-33.2-176-176.3177.6176.4-178.7-1.7113.4L114L114-R116 PolarHBondContact O-N 3.13Å; L114-R116 VanDerWaalsContact O-N 3.14Å
117D92.4Very high95.2Very high113 Ų11372.9 Ų72.960%0.60437%0.371SS*.THydrogen-bonded Turntrans-100.2-6.4-172.9-60.8-36.2000112.6N92 L114 L115N92-D117 PolarHBondContact ND2-O 2.95Å; N92-D117 PolarHBondContact OD1-O 3.43Å; L114-D117 PolarHBondContact O-N 2.92Å; L115-D117 VanDerWaalsContact C-N 3.32Å; L115-D117 PolarHBondContact O-N 2.92Å
118A96.4Very high95.6Very high18 Ų1873.7 Ų73.715%0.14938%0.378CS..  trans-80.2131.4-179.100000111.9L88 L109 L114 L120L88-A118 HydrophobicContact CD1-CB 3.88Å; L109-A118 HydrophobicContact CD1-CB 3.65Å; L114-A118 PolarHBondContact O-N 3.26Å; A118-L120 HydrophobicContact CB-CD2 4.11Å; A118-L120 HydrophobicContact CB-CG 4.17Å
119E97.5Very high95.9Very high96 Ų9672.8 Ų72.845%0.44938%0.375SS..  trans-90.3108172.4-174.6-179.1161.600109.8P94 I95 H121P94-E119 HydrophobicContact CB-CG 4.31Å; I95-E119 PolarHBondContact N-O 3.2Å; E119-H121 VanDerWaalsContact CG-NE2 3.34Å; E119-H121 WeakPolarHBondContact CG-NE2 3.31Å; E119-H121 IonicContact OE1-CD2 3.84Å; E119-H121 IonicContact OE1-CE1 3.61Å; E119-H121 PolarHBondContact OE1-CE1 2.76Å; E119-H121 IonicContact OE1-NE2 3.97Å; E119-H121 PolarHBondContact OE1-NE2 3.5Å
120L98.1Very high96.1Very high39 Ų3982.1 Ų82.120%0.20441%0.41CS..EExtended strand (participates in β ladder)trans-117122.1-172-59.3-178.2000111.2I95 L102 I105 K106 L109 L115 A118I95-L120 HydrophobicContact CB-CD2 3.91Å; I95-L120 HydrophobicContact CD1-CD2 3.95Å; I95-L120 HydrophobicContact CG1-CD2 4.27Å; I95-L120 HydrophobicContact CG2-CD2 4.46Å; L102-L120 HydrophobicContact CD1-CB 3.74Å; L102-L120 HydrophobicContact CD1-CD1 4.29Å; L102-L120 HydrophobicContact CD1-CD2 4.12Å; L102-L120 HydrophobicContact CD1-CG 4.27Å; I105-L120 HydrophobicContact CG2-CD2 4.39Å; K106-L120 HydrophobicContact CD-CD1 4.38Å; K106-L120 HydrophobicContact CG-CD1 3.56Å; L109-L120 HydrophobicContact CD1-CD1 4.32Å; L109-L120 HydrophobicContact CD1-CD2 4.03Å; L115-L120 HydrophobicContact CD1-CD1 3.91Å; A118-L120 HydrophobicContact CB-CD2 4.11Å; A118-L120 HydrophobicContact CB-CG 4.17Å
121H98.4Very high96.3Very high65 Ų6579.4 Ų79.430%0.30139%0.393SS..EExtended strand (participates in β ladder)trans-118.6128.1179.9-63.6-78.8000110.9I95 Y96 A97 E119I95-H121 PolarHBondContact O-N 3.4Å; Y96-H121 WeakPolarHBondContact CA-O 3.28Å; Y96-H121 HydrophobicContact CD1-CB 3.35Å; Y96-H121 AromaticContact CD1-CG 3.93Å; Y96-H121 HydrophobicContact CE1-CB 3.52Å; Y96-H121 AromaticContact CE1-CD2 3.59Å; Y96-H121 AromaticContact CE1-CG 3.55Å; Y96-H121 HydrophobicContact CG-CB 4.11Å; Y96-H121 AromaticContact CZ-CD2 3.65Å; A97-H121 PolarHBondContact N-O 3.32Å; E119-H121 VanDerWaalsContact CG-NE2 3.34Å; E119-H121 WeakPolarHBondContact CG-NE2 3.31Å; E119-H121 IonicContact OE1-CD2 3.84Å; E119-H121 IonicContact OE1-CE1 3.61Å; E119-H121 PolarHBondContact OE1-CE1 2.76Å; E119-H121 IonicContact OE1-NE2 3.97Å; E119-H121 PolarHBondContact OE1-NE2 3.5Å
122E98.2Very high96.7Very high133 Ų13382.2 Ų82.262%0.62140%0.398SS*.EExtended strand (participates in β ladder)trans-81.1136172.8-167172.9139.300110.1A97 A99 L102A97-E122 WeakPolarHBondContact O-CA 3.37Å; A99-E122 HydrophobicContact CB-CG 4.37Å; L102-E122 HydrophobicContact CD2-CB 3.92Å; L102-E122 HydrophobicContact CD2-CG 4.44Å
123I98.4Very high97Very high11 Ų1181.8 Ų81.86%0.05640%0.395CS..  trans-131162.2176.554.6164.4000110.7Y96 A97 G98 I129 F138 L149Y96-I123 HydrophobicContact CD1-CG2 3.95Å; Y96-I123 HydrophobicContact CG-CG2 4.48Å; A97-I123 WeakPolarHBondContact O-CG1 3.48Å; A97-I123 PolarHBondContact O-N 2.97Å; G98-I123 WeakPolarHBondContact CA-O 3.36Å; I123-I129 HydrophobicContact CG2-CD1 4.29Å; I123-F138 HydrophobicContact CB-CE2 4.16Å; I123-F138 HydrophobicContact CD1-CD1 4.01Å; I123-F138 HydrophobicContact CD1-CD2 4.15Å; I123-F138 HydrophobicContact CD1-CE1 3.43Å; I123-F138 VanDerWaalsContact CD1-CE1 3.43Å; I123-F138 HydrophobicContact CD1-CE2 3.61Å; I123-F138 HydrophobicContact CD1-CG 4.34Å; I123-F138 HydrophobicContact CD1-CZ 3.22Å; I123-F138 HydrophobicContact CG1-CE2 4.47Å; I123-F138 HydrophobicContact CG1-CZ 4.44Å; I123-F138 HydrophobicContact CG2-CE2 4.25Å; I123-L149 HydrophobicContact CD1-CD1 4.16Å; I123-L149 HydrophobicContact CG1-CD1 4.43Å
124D97.1Very high97.2Very high86 Ų8679.2 Ų79.246%0.4637%0.367SS..  trans-136.4-172.8175.462.418.5000111.3D126 S127 F138D124-D126 PolarHBondContact O-N 3.2Å; D124-D126 PolarHBondContact OD1-N 3.49Å; D124-S127 PolarHBondContact N-OG 2.95Å; D124-S127 WeakPolarHBondContact O-CB 3.37Å; D124-S127 PolarHBondContact O-N 3.27Å; D124-S127 WeakPolarHBondContact OD1-CB 3.21Å; D124-S127 PolarHBondContact OD1-N 3.24Å; D124-S127 PolarHBondContact OD1-OG 3.08Å; D124-F138 WeakPolarHBondContact O-CD2 3.5Å
125E96.7Very high97.3Very high28 Ų2878.5 Ų78.513%0.13136%0.364CS..THydrogen-bonded Turntrans-63.3-25.4-179.575.3176.7133.800113.3R140 L149 N178 R181E125-R140 HydrophobicContact CB-CB 4.39Å; E125-R140 VanDerWaalsContact CD-NH1 3.32Å; E125-R140 VanDerWaalsContact CD-NH2 3.31Å; E125-R140 IonicContact OE1-CZ 3.82Å; E125-R140 IonicContact OE1-NH1 3.89Å; E125-R140 PolarHBondContact OE1-NH1 3.43Å; E125-R140 IonicContact OE1-NH2 3.97Å; E125-R140 PolarHBondContact OE1-NH2 2.81Å; E125-R140 IonicContact OE2-CZ 3.51Å; E125-R140 IonicContact OE2-NH1 3.38Å; E125-R140 PolarHBondContact OE2-NH1 3.46Å; E125-L149 HydrophobicContact CB-CD2 4.25Å; E125-N178 PolarHBondContact OE2-ND2 3.46Å; E125-R181 PolarHBondContact O-NH1 3.35Å; E125-R181 PolarHBondContact O-NH2 3.34Å
126D97.1Very high97.5Very high108 Ų10875.7 Ų75.758%0.57835%0.35SS*.THydrogen-bonded Turntrans-98.1-8.9-175.1-70.5-38.6000113.6D124 R181D124-D126 PolarHBondContact O-N 3.2Å; D124-D126 PolarHBondContact OD1-N 3.49Å; D126-R181 IonicContact OD1-NH1 3.81Å; D126-R181 PolarHBondContact OD1-NH1 2.67Å
127S98.4Very high97.7Very high29 Ų2965.6 Ų65.620%0.20332%0.315CS..  trans-60.6140.1177.7-67.40000112.3D124 F138D124-S127 PolarHBondContact N-OG 2.95Å; D124-S127 WeakPolarHBondContact O-CB 3.37Å; D124-S127 PolarHBondContact O-N 3.27Å; D124-S127 WeakPolarHBondContact OD1-CB 3.21Å; D124-S127 PolarHBondContact OD1-N 3.24Å; D124-S127 PolarHBondContact OD1-OG 3.08Å; S127-F138 WeakPolarHBondContact O-CD2 3.5Å
128V98.6Very high98Very high70 Ų7060.2 Ų60.242%0.42429%0.286SS..EExtended strand (participates in β ladder)trans-133.8114.2173.6-176.80000109.5R130 V136V128-R130 HydrophobicContact CG1-CG 4.11Å; V128-V136 CarbonylContact C-O 3.43Å; V128-V136 WeakPolarHBondContact CA-O 3.39Å
129I98.6Very high98.1Very high18 Ų1859.3 Ų59.39%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-93.6125177.4-48.7163.1000108Y96 I123 F131 S135 V136 F138Y96-I129 HydrophobicContact CD1-CD1 3.37Å; Y96-I129 HydrophobicContact CD1-CG1 3.97Å; Y96-I129 HydrophobicContact CD2-CD1 3.98Å; Y96-I129 HydrophobicContact CE1-CD1 3.9Å; Y96-I129 HydrophobicContact CE1-CG1 4.14Å; Y96-I129 HydrophobicContact CE1-CG2 4.14Å; Y96-I129 HydrophobicContact CE2-CD1 4.41Å; Y96-I129 HydrophobicContact CG-CD1 3.44Å; Y96-I129 VanDerWaalsContact CG-CD1 3.44Å; Y96-I129 HydrophobicContact CG-CG1 4.49Å; I123-I129 HydrophobicContact CG2-CD1 4.29Å; I129-F131 HydrophobicContact CG2-CE1 4.06Å; I129-F131 HydrophobicContact CG2-CE2 3.9Å; I129-F131 HydrophobicContact CG2-CZ 3.47Å; I129-F131 VanDerWaalsContact CG2-CZ 3.47Å; I129-S135 CarbonylContact O-C 3.48Å; I129-S135 WeakPolarHBondContact O-CA 3.42Å; I129-S135 WeakPolarHBondContact O-CB 3.43Å; I129-V136 HydrophobicContact CB-CB 4.33Å; I129-V136 HydrophobicContact CD1-CB 4.4Å; I129-V136 PolarHBondContact N-O 3.01Å; I129-V136 PolarHBondContact O-N 3.36Å; I129-F138 HydrophobicContact CD1-CE2 4.11Å; I129-F138 HydrophobicContact CD1-CZ 3.86Å; I129-F138 HydrophobicContact CG1-CE2 4.4Å
130R98.5Very high98.1Very high197 Ų19757 Ų5774%0.74327%0.267SS*.EExtended strand (participates in β ladder)trans-114.2128.9-175-63.8-178.6-177.7-93.5-0.7111.3V128V128-R130 HydrophobicContact CG1-CG 4.11Å
131F98Very high98.1Very high52 Ų5255.3 Ų55.323%0.22826%0.257CS..  trans-112.4-165.8169.3-52.8-68000109.8E33 I35 K69 A70 I129 T134 V136E33-F131 WeakPolarHBondContact OE1-CB 3.38Å; I35-F131 HydrophobicContact CD1-CD2 3.71Å; I35-F131 HydrophobicContact CD1-CE2 3.37Å; I35-F131 HydrophobicContact CD1-CZ 4.2Å; K69-F131 HydrophobicContact CB-CD1 3.76Å; K69-F131 HydrophobicContact CB-CD2 4.25Å; K69-F131 HydrophobicContact CB-CE1 3.59Å; K69-F131 HydrophobicContact CB-CE2 4.1Å; K69-F131 HydrophobicContact CB-CG 4.08Å; K69-F131 HydrophobicContact CB-CZ 3.77Å; K69-F131 HydrophobicContact CG-CD1 4.18Å; K69-F131 HydrophobicContact CG-CE1 4.49Å; K69-F131 HydrophobicContact CG-CG 4.28Å; A70-F131 HydrophobicContact CB-CE2 4.43Å; A70-F131 HydrophobicContact CB-CZ 3.86Å; I129-F131 HydrophobicContact CG2-CE1 4.06Å; I129-F131 HydrophobicContact CG2-CE2 3.9Å; I129-F131 HydrophobicContact CG2-CZ 3.47Å; I129-F131 VanDerWaalsContact CG2-CZ 3.47Å; F131-T134 CarbonylContact C-O 3.17Å; F131-T134 WeakPolarHBondContact CA-O 3.47Å; F131-T134 PolarHBondContact N-O 3.31Å; F131-V136 HydrophobicContact CE2-CG2 4.12Å
132R97.6Very high98.1Very high203 Ų20352.6 Ų52.677%0.76625%0.245SC*.SBendtrans-72.9-41.2-173.4-173.6-176.6175.9-177.12.5112E33E33-R132 WeakPolarHBondContact OE1-CA 3.36Å; E33-R132 WeakPolarHBondContact OE1-CB 3.41Å; E33-R132 PolarHBondContact OE1-N 2.82Å
133K97.2Very high97.9Very high61 Ų6146.8 Ų46.827%0.26522%0.218SC..SBendtrans-124-18.2-175-57.1167.1-170.41640112.1F30 D32 E33 P156F30-K133 HydrophobicContact CD1-CB 4.03Å; F30-K133 HydrophobicContact CD1-CD 4.2Å; F30-K133 HydrophobicContact CE1-CB 4.18Å; F30-K133 HydrophobicContact CE1-CD 4.04Å; D32-K133 IonicContact OD1-NZ 3.8Å; D32-K133 PolarHBondContact OD1-NZ 3.29Å; D32-K133 IonicContact OD2-NZ 2.82Å; E33-K133 PolarHBondContact OE1-N 3.49Å; E33-K133 WeakPolarHBondContact OE2-CA 3.33Å; E33-K133 WeakPolarHBondContact OE2-CB 3.1Å; E33-K133 PolarHBondContact OE2-N 3.38Å; K133-P156 WeakPolarHBondContact O-CD 3.37Å
134T98.5Very high97.6Very high7 Ų747.1 Ų47.14%0.04322%0.222CC..  trans-119.2158.1-178.457.60000111.5F30 E33 F131 K154 T155F30-T134 HydrophobicContact CB-CG2 3.97Å; E33-T134 HydrophobicContact CB-CG2 4.39Å; E33-T134 WeakPolarHBondContact OE2-CB 3.49Å; E33-T134 WeakPolarHBondContact OE2-CG2 3.28Å; E33-T134 PolarHBondContact OE2-N 3.28Å; E33-T134 PolarHBondContact OE2-OG1 3.01Å; F131-T134 CarbonylContact C-O 3.17Å; F131-T134 WeakPolarHBondContact CA-O 3.47Å; F131-T134 PolarHBondContact N-O 3.31Å; T134-K154 VanDerWaalsContact CA-O 3.26Å; T134-K154 WeakPolarHBondContact CA-O 3.4Å; T134-T155 HydrophobicContact CG2-CG2 4.11Å
135S98.7Very high97.3Very high20 Ų2043.2 Ų43.214%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-143.3147.5167.662.40000110.3I129 K154I129-S135 CarbonylContact O-C 3.48Å; I129-S135 WeakPolarHBondContact O-CA 3.42Å; I129-S135 WeakPolarHBondContact O-CB 3.43Å; S135-K154 PolarHBondContact N-O 3.39Å; S135-K154 VanDerWaalsContact N-O 3.17Å; S135-K154 PolarHBondContact O-N 3.15Å
136V98.9Very high97Very high0 Ų042.6 Ų42.60%020%0.199CC..EExtended strand (participates in β ladder)trans-112.7133178.1-171.50000109.1I35 V72 V128 I129 F131 F138 V151 V152 V153I35-V136 HydrophobicContact CD1-CG2 4.09Å; I35-V136 HydrophobicContact CG1-CG2 3.99Å; I35-V136 HydrophobicContact CG2-CG2 3.8Å; V72-V136 HydrophobicContact CG1-CG1 4.44Å; V72-V136 HydrophobicContact CG2-CG1 4.28Å; V128-V136 CarbonylContact C-O 3.43Å; V128-V136 WeakPolarHBondContact CA-O 3.39Å; I129-V136 HydrophobicContact CB-CB 4.33Å; I129-V136 HydrophobicContact CD1-CB 4.4Å; I129-V136 PolarHBondContact N-O 3.01Å; I129-V136 PolarHBondContact O-N 3.36Å; F131-V136 HydrophobicContact CE2-CG2 4.12Å; V136-F138 HydrophobicContact CG1-CE1 3.96Å; V136-F138 HydrophobicContact CG1-CZ 3.74Å; V136-V151 HydrophobicContact CG1-CG1 3.59Å; V136-V152 WeakPolarHBondContact CA-O 3.4Å; V136-V153 HydrophobicContact CG2-CG2 4.44Å
137S98.8Very high96.7Very high23 Ų2339.3 Ų39.316%0.16118%0.182CC..EExtended strand (participates in β ladder)trans-138.8165.6173.7590000110.1V152S137-V152 PolarHBondContact N-O 2.85Å; S137-V152 PolarHBondContact O-N 3.39Å
138F98.8Very high96.6Very high0 Ų038.3 Ų38.30%018%0.175CC..EExtended strand (participates in β ladder)trans-120.8168.9-168.1-55.2-75.9000112.5V72 I123 D124 S127 I129 V136 L149 G150 V151 R181V72-F138 HydrophobicContact CG1-CE1 3.42Å; V72-F138 VanDerWaalsContact CG1-CE1 3.42Å; V72-F138 HydrophobicContact CG1-CZ 3.87Å; I123-F138 HydrophobicContact CB-CE2 4.16Å; I123-F138 HydrophobicContact CD1-CD1 4.01Å; I123-F138 HydrophobicContact CD1-CD2 4.15Å; I123-F138 HydrophobicContact CD1-CE1 3.43Å; I123-F138 VanDerWaalsContact CD1-CE1 3.43Å; I123-F138 HydrophobicContact CD1-CE2 3.61Å; I123-F138 HydrophobicContact CD1-CG 4.34Å; I123-F138 HydrophobicContact CD1-CZ 3.22Å; I123-F138 HydrophobicContact CG1-CE2 4.47Å; I123-F138 HydrophobicContact CG1-CZ 4.44Å; I123-F138 HydrophobicContact CG2-CE2 4.25Å; D124-F138 WeakPolarHBondContact O-CD2 3.5Å; S127-F138 WeakPolarHBondContact O-CD2 3.5Å; I129-F138 HydrophobicContact CD1-CE2 4.11Å; I129-F138 HydrophobicContact CD1-CZ 3.86Å; I129-F138 HydrophobicContact CG1-CE2 4.4Å; V136-F138 HydrophobicContact CG1-CE1 3.96Å; V136-F138 HydrophobicContact CG1-CZ 3.74Å; F138-L149 HydrophobicContact CB-CB 4.48Å; F138-L149 HydrophobicContact CB-CD1 4.27Å; F138-L149 HydrophobicContact CB-CD2 4.33Å; F138-L149 HydrophobicContact CD1-CB 4.35Å; F138-L149 HydrophobicContact CD1-CD1 4.2Å; F138-L149 HydrophobicContact CG-CD1 4.21Å; F138-G150 CarbonylContact C-O 3.59Å; F138-G150 VanDerWaalsContact CA-O 3.3Å; F138-G150 WeakPolarHBondContact CA-O 3.42Å; F138-V151 HydrophobicContact CD1-CG2 4.19Å; F138-V151 HydrophobicContact CE1-CG1 4.41Å; F138-V151 HydrophobicContact CE1-CG2 4.12Å; F138-R181 PolarHBondContact O-NE 3.23Å; F138-R181 PolarHBondContact O-NH2 3.36Å
139F98.4Very high96.6Very high0 Ų035.3 Ų35.30%016%0.156CC..EExtended strand (participates in β ladder)trans-150.4138.7163.657.6-84.6000109.4T141 G150 V152 V161 R181 M182 L185 M382F139-T141 HydrophobicContact CD2-CG2 4.04Å; F139-T141 HydrophobicContact CE2-CG2 3.77Å; F139-G150 VanDerWaalsContact CE1-C 3.48Å; F139-G150 PolarHBondContact N-O 2.95Å; F139-G150 PolarHBondContact O-N 3.37Å; F139-V152 HydrophobicContact CD1-CG2 3.74Å; F139-V152 HydrophobicContact CE1-CG2 3.79Å; F139-V161 HydrophobicContact CE1-CG1 3.78Å; F139-V161 HydrophobicContact CZ-CG1 3.86Å; F139-R181 HydrophobicContact CB-CG 4.06Å; F139-M182 HydrophobicContact CD2-CE 3.7Å; F139-M182 HydrophobicContact CD2-CG 3.81Å; F139-M182 HydrophobicContact CE2-CE 3.94Å; F139-M182 HydrophobicContact CE2-CG 4.16Å; F139-L185 HydrophobicContact CB-CD1 4.41Å; F139-L185 HydrophobicContact CD1-CD1 3.67Å; F139-L185 HydrophobicContact CE1-CD1 4.19Å; F139-L185 HydrophobicContact CG-CD1 4.14Å; F139-M382 HydrophobicContact CE1-CE 4.26Å; F139-M382 HydrophobicContact CE2-CE 3.83Å; F139-M382 HydrophobicContact CZ-CE 3.68Å
140R98.3Very high96.7Very high48 Ų4834.5 Ų34.518%0.18115%0.152CC..EExtended strand (participates in β ladder)trans-70.4134.5-179.5-173.7179.2-62.1112.36.7111.7E125 Q175 P176 N178 M182E125-R140 HydrophobicContact CB-CB 4.39Å; E125-R140 VanDerWaalsContact CD-NH1 3.32Å; E125-R140 VanDerWaalsContact CD-NH2 3.31Å; E125-R140 IonicContact OE1-CZ 3.82Å; E125-R140 IonicContact OE1-NH1 3.89Å; E125-R140 PolarHBondContact OE1-NH1 3.43Å; E125-R140 IonicContact OE1-NH2 3.97Å; E125-R140 PolarHBondContact OE1-NH2 2.81Å; E125-R140 IonicContact OE2-CZ 3.51Å; E125-R140 IonicContact OE2-NH1 3.38Å; E125-R140 PolarHBondContact OE2-NH1 3.46Å; R140-Q175 VanDerWaalsContact CD-CB 3.49Å; R140-P176 WeakPolarHBondContact CD-O 3.43Å; R140-N178 HydrophobicContact CB-CB 4.36Å; R140-N178 PolarHBondContact O-N 2.74Å; R140-M182 WeakPolarHBondContact O-CE 3.46Å
141T97.9Very high96.7Very high2 Ų225.1 Ų25.11%0.01212%0.116CC..  trans-111.1-172.6169.161.70000110.5F139 P148 F166 M182F139-T141 HydrophobicContact CD2-CG2 4.04Å; F139-T141 HydrophobicContact CE2-CG2 3.77Å; T141-P148 PolarHBondContact N-O 2.9Å; T141-P148 VanDerWaalsContact N-O 3.08Å; T141-P148 WeakPolarHBondContact OG1-CB 3.14Å; T141-P148 PolarHBondContact OG1-O 2.86Å; T141-F166 HydrophobicContact CG2-CB 4.14Å; T141-M182 HydrophobicContact CG2-CE 3.89Å
142T97Very high96.7Very high8 Ų822.8 Ų22.85%0.04911%0.107CC..BIsolated β-bridgetrans-122.1138.2165.540.70000108.6F166 K167 D169 P172 A177T142-F166 CarbonylContact O-C 3.57Å; T142-F166 WeakPolarHBondContact O-CA 3.46Å; T142-K167 PolarHBondContact O-N 2.94Å; T142-K167 VanDerWaalsContact O-O 3.07Å; T142-K167 PolarHBondContact OG1-O 2.89Å; T142-D169 HydrophobicContact CG2-CB 4.35Å; T142-D169 PolarHBondContact OG1-N 3.24Å; T142-D169 VanDerWaalsContact OG1-N 3.1Å; T142-P172 HydrophobicContact CG2-CB 3.98Å; T142-P172 HydrophobicContact CG2-CG 4.08Å; T142-A177 HydrophobicContact CG2-CB 4.14Å
143H95.2Very high96.8Very high12 Ų1213.2 Ų13.26%0.0567%0.071CC..  trans-147.6-166.1179.6-16939.9000109.5H75 H77 I145 P148 D165 G368 H369H75-H143 AromaticContact CD2-CD2 3.76Å; H75-H143 AromaticContact NE2-CD2 3.68Å; H75-H143 AromaticContact NE2-NE2 3.76Å; H77-H143 AromaticContact CE1-CD2 3.67Å; H77-H143 AromaticContact CE1-NE2 3.19Å; H77-H143 PolarHBondContact CE1-NE2 3.33Å; H77-H143 AromaticContact ND1-CD2 3.79Å; H77-H143 AromaticContact ND1-NE2 3.28Å; H77-H143 PolarHBondContact ND1-NE2 3.43Å; H143-I145 VanDerWaalsContact C-N 3.3Å; H143-P148 HydrophobicContact CB-CB 3.8Å; H143-P148 HydrophobicContact CB-CG 3.81Å; H143-D165 IonicContact CE1-OD2 3.13Å; H143-D165 IonicContact NE2-OD2 2.83Å; H143-G368 PolarHBondContact CE1-O 3.03Å; H143-G368 WeakPolarHBondContact ND1-CA 3.42Å; H143-G368 PolarHBondContact ND1-O 2.95Å; H143-H369 AromaticContact CE1-CE1 3.73Å; H143-H369 AromaticContact CE1-ND1 3.92Å; H143-H369 AromaticContact CE1-NE2 3.97Å
144S90.6Very high96.8Very high18 Ų1815.7 Ų15.713%0.1268%0.081CC..SBendtrans-87.55.3177.559.60000114.7H77 N235H77-S144 PolarHBondContact CE1-OG 2.99Å; H77-S144 VanDerWaalsContact CE1-OG 3.23Å; S144-N235 WeakPolarHBondContact O-CA 3.28Å; S144-N235 PolarHBondContact O-ND2 2.94Å; S144-N235 PolarHBondContact O-OD1 3.42Å; S144-N235 VanDerWaalsContact O-OD1 3.09Å
145I91.9Very high96.8Very high3 Ų315.8 Ų15.82%0.0158%0.082CC..SBendtrans-129.1151.9171.1-169166000109.2H75 L100 L104 H143 P148 S234H75-I145 HydrophobicContact CB-CG2 3.82Å; L100-I145 HydrophobicContact CD2-CD1 4Å; L100-I145 HydrophobicContact CD2-CG1 3.64Å; L104-I145 HydrophobicContact CD1-CD1 4.11Å; H143-I145 VanDerWaalsContact C-N 3.3Å; I145-P148 WeakPolarHBondContact O-CD 3.44Å; I145-S234 WeakPolarHBondContact CD1-O 3.17Å; I145-S234 VanDerWaalsContact CG1-O 3.29Å; I145-S234 WeakPolarHBondContact CG1-O 3.1Å
146P91.2Very high96.8Very high16 Ų1618.9 Ų18.910%0.10410%0.102CC..SBendtrans-63.4161.5169.8-22.833.4000113.8L100 I236 Y272L100-P146 HydrophobicContact CD2-CB 3.82Å; L100-P146 HydrophobicContact CD2-CG 3.91Å; P146-I236 HydrophobicContact CG-CB 3.74Å; P146-I236 HydrophobicContact CG-CG1 4.39Å; P146-I236 HydrophobicContact CG-CG2 4.19Å; P146-Y272 HydrophobicContact CB-CD1 4.02Å; P146-Y272 HydrophobicContact CB-CD2 4.39Å; P146-Y272 HydrophobicContact CB-CE1 4.05Å; P146-Y272 HydrophobicContact CB-CE2 4.39Å; P146-Y272 HydrophobicContact CB-CG 4.24Å; P146-Y272 HydrophobicContact CG-CD1 4.3Å; P146-Y272 HydrophobicContact CG-CG 4.2Å
147D90.2Very high96.7Very high39 Ų3919.6 Ų19.621%0.20911%0.107CC..SBendtrans51.739.9179.6-53.2-26.7000117.2L149 Y272D147-L149 PolarHBondContact O-N 3.19Å; D147-Y272 PolarHBondContact OD1-OH 2.77Å; D147-Y272 VanDerWaalsContact OD1-OH 3.1Å; D147-Y272 PolarHBondContact OD2-OH 2.8Å
148P96.7Very high96.7Very high8 Ų819.5 Ų19.55%0.05211%0.109CC..  trans-73132.1172.535.2-34.4000109.5H75 T141 H143 I145H75-P148 HydrophobicContact CB-CB 4.19Å; T141-P148 PolarHBondContact N-O 2.9Å; T141-P148 VanDerWaalsContact N-O 3.08Å; T141-P148 WeakPolarHBondContact OG1-CB 3.14Å; T141-P148 PolarHBondContact OG1-O 2.86Å; H143-P148 HydrophobicContact CB-CB 3.8Å; H143-P148 HydrophobicContact CB-CG 3.81Å; I145-P148 WeakPolarHBondContact O-CD 3.44Å
149L98.6Very high96.7Very high7 Ų720.4 Ų20.44%0.03711%0.114CC..EExtended strand (participates in β ladder)trans-119.8132.1178.7-63.7176.3000109.6T74 I123 E125 F138 D147T74-L149 WeakPolarHBondContact CA-O 3.4Å; T74-L149 WeakPolarHBondContact CB-O 3.49Å; T74-L149 PolarHBondContact O-N 3.28Å; I123-L149 HydrophobicContact CD1-CD1 4.16Å; I123-L149 HydrophobicContact CG1-CD1 4.43Å; E125-L149 HydrophobicContact CB-CD2 4.25Å; F138-L149 HydrophobicContact CB-CB 4.48Å; F138-L149 HydrophobicContact CB-CD1 4.27Å; F138-L149 HydrophobicContact CB-CD2 4.33Å; F138-L149 HydrophobicContact CD1-CB 4.35Å; F138-L149 HydrophobicContact CD1-CD1 4.2Å; F138-L149 HydrophobicContact CG-CD1 4.21Å; D147-L149 PolarHBondContact O-N 3.19Å
150G98.8Very high96.7Very high0 Ų020.5 Ų20.50%012%0.115CC..EExtended strand (participates in β ladder)trans-81.6154.2157.900000110.7F138 F139 E162F138-G150 CarbonylContact C-O 3.59Å; F138-G150 VanDerWaalsContact CA-O 3.3Å; F138-G150 WeakPolarHBondContact CA-O 3.42Å; F139-G150 VanDerWaalsContact CE1-C 3.48Å; F139-G150 PolarHBondContact N-O 2.95Å; F139-G150 PolarHBondContact O-N 3.37Å; G150-E162 CarbonylContact C-O 3.51Å; G150-E162 WeakPolarHBondContact CA-O 3.35Å
151V98.9Very high96.8Very high0 Ų018.2 Ų18.20%011%0.106CC..EExtended strand (participates in β ladder)trans-116.9134.8-171.5-177.20000110.5I37 V72 T74 V136 F138 V153 V161 E162I37-V151 HydrophobicContact CD1-CB 4.17Å; I37-V151 HydrophobicContact CD1-CG1 3.92Å; I37-V151 HydrophobicContact CG1-CG1 4.29Å; I37-V151 HydrophobicContact CG2-CG2 4.11Å; V72-V151 HydrophobicContact CG1-CG1 4.22Å; V72-V151 HydrophobicContact CG1-CG2 3.91Å; T74-V151 HydrophobicContact CG2-CG2 3.98Å; V136-V151 HydrophobicContact CG1-CG1 3.59Å; F138-V151 HydrophobicContact CD1-CG2 4.19Å; F138-V151 HydrophobicContact CE1-CG1 4.41Å; F138-V151 HydrophobicContact CE1-CG2 4.12Å; V151-V153 HydrophobicContact CG1-CG2 4.11Å; V151-V161 WeakPolarHBondContact O-CA 3.29Å; V151-E162 PolarHBondContact N-O 3.43Å; V151-E162 PolarHBondContact O-N 3.45Å
152V98.9Very high96.8Very high4 Ų418.2 Ų18.22%0.02411%0.106CC..EExtended strand (participates in β ladder)trans-118.4111.7173.9-173.80000108.8V136 S137 F139 N159 I160 V161 L185V136-V152 WeakPolarHBondContact CA-O 3.4Å; S137-V152 PolarHBondContact N-O 2.85Å; S137-V152 PolarHBondContact O-N 3.39Å; F139-V152 HydrophobicContact CD1-CG2 3.74Å; F139-V152 HydrophobicContact CE1-CG2 3.79Å; V152-N159 HydrophobicContact CG1-CB 4.31Å; V152-I160 CarbonylContact C-O 3.59Å; V152-I160 WeakPolarHBondContact CA-O 3.23Å; V152-V161 HydrophobicContact CG1-CG2 4.23Å; V152-V161 HydrophobicContact CG2-CG2 4.23Å; V152-L185 HydrophobicContact CG1-CD2 4.27Å; V152-L185 HydrophobicContact CG2-CD1 3.7Å; V152-L185 HydrophobicContact CG2-CD2 3.95Å; V152-L185 HydrophobicContact CG2-CG 4.49Å
153V98.9Very high96.9Very high2 Ų217.9 Ų17.91%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-98103.7173.1-172.20000108.8V28 I35 I37 V136 V151 T155 I160V28-V153 HydrophobicContact CB-CB 4.24Å; V28-V153 HydrophobicContact CB-CG1 4.04Å; V28-V153 HydrophobicContact CB-CG2 4.27Å; V28-V153 HydrophobicContact CG1-CB 4.14Å; V28-V153 HydrophobicContact CG1-CG1 3.78Å; V28-V153 HydrophobicContact CG2-CB 4.22Å; V28-V153 HydrophobicContact CG2-CG2 4.03Å; I35-V153 HydrophobicContact CB-CG1 4.43Å; I35-V153 HydrophobicContact CB-CG2 4.38Å; I35-V153 HydrophobicContact CG1-CG1 3.94Å; I35-V153 HydrophobicContact CG2-CG2 4.18Å; I37-V153 HydrophobicContact CD1-CG2 4.2Å; V136-V153 HydrophobicContact CG2-CG2 4.44Å; V151-V153 HydrophobicContact CG1-CG2 4.11Å; V153-T155 HydrophobicContact CG1-CG2 4.12Å; V153-I160 HydrophobicContact CB-CB 4.44Å; V153-I160 PolarHBondContact N-O 3.4Å; V153-I160 PolarHBondContact O-N 3.35Å
154K98.8Very high97Very high112 Ų11217.3 Ų17.349%0.48710%0.102SC..EExtended strand (participates in β ladder)trans-78.9124.2174.8-174.9162.8-170.6165.70109.7T134 S135 N159T134-K154 VanDerWaalsContact CA-O 3.26Å; T134-K154 WeakPolarHBondContact CA-O 3.4Å; S135-K154 PolarHBondContact N-O 3.39Å; S135-K154 VanDerWaalsContact N-O 3.17Å; S135-K154 PolarHBondContact O-N 3.15Å; K154-N159 WeakPolarHBondContact CG-OD1 3.44Å
155T98.5Very high97.4Very high9 Ų916.5 Ų16.56%0.05510%0.096CC..EExtended strand (participates in β ladder)trans-125.9162.9176.1740000110.2T10 V28 F30 T134 V153 S157 G158T10-T155 HydrophobicContact CG2-CG2 3.74Å; T10-T155 WeakPolarHBondContact OG1-CB 3.27Å; T10-T155 PolarHBondContact OG1-OG1 3.37Å; V28-T155 HydrophobicContact CG1-CG2 4.1Å; F30-T155 HydrophobicContact CB-CG2 4.34Å; T134-T155 HydrophobicContact CG2-CG2 4.11Å; V153-T155 HydrophobicContact CG1-CG2 4.12Å; T155-S157 PolarHBondContact O-N 3.49Å; T155-S157 PolarHBondContact OG1-N 3.14Å; T155-G158 PolarHBondContact N-O 2.89Å; T155-G158 VanDerWaalsContact N-O 3.08Å; T155-G158 PolarHBondContact O-N 2.8Å; T155-G158 PolarHBondContact OG1-N 3Å; T155-G158 PolarHBondContact OG1-O 2.96Å
156P97.7Very high97.7Very high85 Ų8516.4 Ų16.455%0.55210%0.095SC*.THydrogen-bonded Turntrans-59.6-26.3175.3-29.240.5000114.2F30 K133F30-P156 HydrophobicContact CD1-CG 4.01Å; F30-P156 HydrophobicContact CE1-CB 4.2Å; F30-P156 HydrophobicContact CE1-CG 3.45Å; F30-P156 VanDerWaalsContact CE1-CG 3.45Å; F30-P156 HydrophobicContact CE2-CB 4.2Å; F30-P156 HydrophobicContact CE2-CG 4.21Å; F30-P156 HydrophobicContact CZ-CB 3.77Å; F30-P156 HydrophobicContact CZ-CG 3.56Å; K133-P156 WeakPolarHBondContact O-CD 3.37Å
157S97.6Very high98Very high16 Ų1615.8 Ų15.811%0.1129%0.091CC..THydrogen-bonded Turntrans-74.7-25.8176.2-46.50000112.9N8 T10 T155N8-S157 PolarHBondContact O-OG 3.36Å; T10-S157 PolarHBondContact N-OG 2.99Å; T10-S157 VanDerWaalsContact OG1-CB 3.25Å; T10-S157 WeakPolarHBondContact OG1-CB 3.22Å; T10-S157 PolarHBondContact OG1-OG 2.87Å; T155-S157 PolarHBondContact O-N 3.49Å; T155-S157 PolarHBondContact OG1-N 3.14Å
158G98.2Very high98.4Very high21 Ų2114 Ų1422%0.2168%0.081CC..EExtended strand (participates in β ladder)trans146.6-180-175.200000113T155T155-G158 PolarHBondContact N-O 2.89Å; T155-G158 VanDerWaalsContact N-O 3.08Å; T155-G158 PolarHBondContact O-N 2.8Å; T155-G158 PolarHBondContact OG1-N 3Å; T155-G158 PolarHBondContact OG1-O 2.96Å
159N98.7Very high98.4Very high18 Ų1814 Ų1410%0.0968%0.081CC..EExtended strand (participates in β ladder)trans-85.6124.8-179.6-59.7-35.8000110.8V152 K154 G189 L191 C192V152-N159 HydrophobicContact CG1-CB 4.31Å; K154-N159 WeakPolarHBondContact CG-OD1 3.44Å; N159-G189 PolarHBondContact ND2-O 3.41Å; N159-L191 WeakPolarHBondContact O-CB 3.35Å; N159-L191 PolarHBondContact O-N 2.95Å; N159-C192 PolarHBondContact O-N 3.3Å
160I98.9Very high98.3Very high2 Ų219.8 Ų19.81%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-97.2127.4167.9-49.4-58000107.5T10 V12 V28 V152 V153 L191 C192 L194 L425T10-I160 HydrophobicContact CG2-CD1 4.11Å; T10-I160 HydrophobicContact CG2-CG1 3.87Å; V12-I160 HydrophobicContact CG2-CD1 4.01Å; V12-I160 HydrophobicContact CG2-CG1 4.19Å; V12-I160 HydrophobicContact CG2-CG2 3.88Å; V28-I160 HydrophobicContact CG1-CB 4.32Å; V28-I160 HydrophobicContact CG1-CG1 3.89Å; V28-I160 HydrophobicContact CG2-CB 4.2Å; V28-I160 HydrophobicContact CG2-CG2 3.82Å; V152-I160 CarbonylContact C-O 3.59Å; V152-I160 WeakPolarHBondContact CA-O 3.23Å; V153-I160 HydrophobicContact CB-CB 4.44Å; V153-I160 PolarHBondContact N-O 3.4Å; V153-I160 PolarHBondContact O-N 3.35Å; I160-L191 HydrophobicContact CD1-CB 4.39Å; I160-L191 HydrophobicContact CD1-CD2 4.13Å; I160-L191 HydrophobicContact CD1-CG 4.43Å; I160-C192 HydrophobicContact CD1-CB 3.79Å; I160-L194 HydrophobicContact CG2-CD1 3.64Å; I160-L425 HydrophobicContact CD1-CD1 3.66Å
161V98.9Very high98.1Very high0 Ų022.7 Ų22.70%012%0.124CC..EExtended strand (participates in β ladder)trans-116.1131.4179.9-1800000108.7F139 V151 V152 V190 C192 L193 L194 M382F139-V161 HydrophobicContact CE1-CG1 3.78Å; F139-V161 HydrophobicContact CZ-CG1 3.86Å; V151-V161 WeakPolarHBondContact O-CA 3.29Å; V152-V161 HydrophobicContact CG1-CG2 4.23Å; V152-V161 HydrophobicContact CG2-CG2 4.23Å; V161-V190 HydrophobicContact CB-CG1 4.06Å; V161-V190 HydrophobicContact CG2-CB 4.37Å; V161-V190 HydrophobicContact CG2-CG1 3.73Å; V161-V190 HydrophobicContact CG2-CG2 3.78Å; V161-C192 PolarHBondContact N-O 3.49Å; V161-L193 HydrophobicContact CB-CD1 3.94Å; V161-L193 HydrophobicContact CG1-CD1 3.75Å; V161-L193 CarbonylContact O-C 3.59Å; V161-L193 WeakPolarHBondContact O-CA 3.46Å; V161-L194 PolarHBondContact O-N 3.48Å; V161-M382 HydrophobicContact CG1-CE 4.07Å; V161-M382 HydrophobicContact CG1-SD 4.17Å
162E98.8Very high97.8Very high3 Ų324.2 Ų24.21%0.01413%0.133CC..EExtended strand (participates in β ladder)trans-120.2130.6172.4-173-70.6131.800106.8I37 T74 G150 V151 G164 L194 I390I37-E162 HydrophobicContact CD1-CB 3.92Å; I37-E162 HydrophobicContact CD1-CG 4.21Å; I37-E162 HydrophobicContact CG2-CG 4.36Å; T74-E162 VanDerWaalsContact CG2-OE2 3.23Å; T74-E162 WeakPolarHBondContact CG2-OE2 3.4Å; G150-E162 CarbonylContact C-O 3.51Å; G150-E162 WeakPolarHBondContact CA-O 3.35Å; V151-E162 PolarHBondContact N-O 3.43Å; V151-E162 PolarHBondContact O-N 3.45Å; E162-G164 VanDerWaalsContact C-N 3.29Å; E162-G164 PolarHBondContact O-N 3.19Å; E162-G164 WeakPolarHBondContact OE1-CA 3.41Å; E162-G164 PolarHBondContact OE1-N 2.99Å; E162-G164 PolarHBondContact OE2-N 2.81Å; E162-L194 WeakPolarHBondContact CA-O 3.39Å; E162-L194 HydrophobicContact CB-CB 4.17Å; E162-L194 HydrophobicContact CG-CB 4.04Å; E162-L194 HydrophobicContact CG-CD2 4.38Å; E162-I390 HydrophobicContact CG-CD1 3.94Å; E162-I390 WeakPolarHBondContact OE1-CD1 3.38Å
163T98.9Very high97.3Very high0 Ų027 Ų270%015%0.15CC..  trans-77.9-13.7-168.553.70000114.3F166 L193 L194 S195 D196 M378T163-F166 HydrophobicContact CG2-CD1 4.28Å; T163-F166 HydrophobicContact CG2-CE1 4.11Å; T163-L193 HydrophobicContact CG2-CD1 3.82Å; T163-L194 PolarHBondContact N-O 2.75Å; T163-L194 VanDerWaalsContact N-O 3.08Å; T163-S195 WeakPolarHBondContact OG1-CA 3.44Å; T163-D196 PolarHBondContact OG1-N 3.2Å; T163-M378 HydrophobicContact CG2-CE 4.05Å; T163-M378 HydrophobicContact CG2-CG 3.89Å; T163-M378 HydrophobicContact CG2-SD 4.1Å
164G98.4Very high96.7Very high1 Ų129 Ų291%0.0117%0.172CC..  trans55.5-166.6-148.300000110.7E162E162-G164 VanDerWaalsContact C-N 3.29Å; E162-G164 PolarHBondContact O-N 3.19Å; E162-G164 WeakPolarHBondContact OE1-CA 3.41Å; E162-G164 PolarHBondContact OE1-N 2.99Å; E162-G164 PolarHBondContact OE2-N 2.81Å
165D98.4Very high96.3Very high1 Ų129.8 Ų29.81%0.00518%0.177CC..SBendtrans-78.7134.7164-71.311.6000109.5H75 H80 H143 H369 H391H75-D165 IonicContact CE1-OD2 2.68Å; H75-D165 IonicContact NE2-OD2 3.92Å; H80-D165 IonicContact CE1-OD1 2.66Å; H80-D165 PolarHBondContact CE1-OD1 3.23Å; H80-D165 VanDerWaalsContact CE1-OD1 3.25Å; H80-D165 IonicContact CE1-OD2 3.73Å; H80-D165 IonicContact NE2-OD1 3.83Å; H80-D165 PolarHBondContact NE2-OD1 3.29Å; H80-D165 IonicContact NE2-OD2 2.84Å; H80-D165 PolarHBondContact NE2-OD2 2.93Å; H143-D165 IonicContact CE1-OD2 3.13Å; H143-D165 IonicContact NE2-OD2 2.83Å; D165-H369 IonicContact OD2-CE1 2.81Å; D165-H369 PolarHBondContact OD2-CE1 3.36Å; D165-H369 IonicContact OD2-ND1 2.72Å; D165-H391 IonicContact OD1-CD2 3.82Å; D165-H391 PolarHBondContact OD1-CD2 2.85Å; D165-H391 VanDerWaalsContact OD1-CD2 3.26Å; D165-H391 IonicContact OD1-CG 2.85Å; D165-H391 IonicContact OD1-NE2 2.73Å; D165-H391 IonicContact OD2-CD2 2.83Å; D165-H391 IonicContact OD2-CE1 3.28Å; D165-H391 IonicContact OD2-NE2 2.74Å
166F98.6Very high96.2Very high1 Ų132.7 Ų32.70%0.00420%0.196CC..  trans-151.7154.9-174.681.1-76.8000113T141 T142 T163 F168 D196 G368 H369 G370 Q375 M378T141-F166 HydrophobicContact CG2-CB 4.14Å; T142-F166 CarbonylContact O-C 3.57Å; T142-F166 WeakPolarHBondContact O-CA 3.46Å; T163-F166 HydrophobicContact CG2-CD1 4.28Å; T163-F166 HydrophobicContact CG2-CE1 4.11Å; F166-F168 HydrophobicContact CD2-CE2 4.33Å; F166-F168 HydrophobicContact CE2-CD2 4.27Å; F166-F168 AromaticContact CE2-CE2 3.88Å; F166-F168 HydrophobicContact CE2-CE2 3.88Å; F166-F168 HydrophobicContact CE2-CZ 4.42Å; F166-D196 HydrophobicContact CD1-CB 3.9Å; F166-D196 HydrophobicContact CE1-CB 3.95Å; F166-D196 PolarHBondContact N-OD2 3.35Å; F166-G368 CarbonylContact C-O 3.54Å; F166-H369 CarbonylContact O-C 3.31Å; F166-H369 WeakPolarHBondContact O-CA 3.31Å; F166-G370 PolarHBondContact O-N 2.98Å; F166-Q375 HydrophobicContact CZ-CG 4.46Å; F166-M378 HydrophobicContact CD1-CE 4.35Å; F166-M378 HydrophobicContact CD2-CE 3.62Å; F166-M378 HydrophobicContact CE1-CE 4.34Å; F166-M378 HydrophobicContact CE1-CG 4.49Å; F166-M378 HydrophobicContact CE2-CB 3.86Å; F166-M378 HydrophobicContact CE2-CE 3.62Å; F166-M378 HydrophobicContact CE2-CG 4.26Å; F166-M378 HydrophobicContact CG-CE 4.01Å; F166-M378 HydrophobicContact CZ-CB 3.71Å; F166-M378 HydrophobicContact CZ-CE 3.99Å; F166-M378 HydrophobicContact CZ-CG 3.92Å
167K97.8Very high96.2Very high3 Ų329.2 Ų29.21%0.01318%0.175CC..BIsolated β-bridgetrans-130.8172.2156.664.5178.1170.8-170.90108.6T142 T206 E209 S367 G368 E374T142-K167 PolarHBondContact O-N 2.94Å; T142-K167 VanDerWaalsContact O-O 3.07Å; T142-K167 PolarHBondContact OG1-O 2.89Å; K167-T206 HydrophobicContact CD-CG2 3.88Å; K167-E209 IonicContact NZ-OE1 3.03Å; K167-E209 PolarHBondContact NZ-OE1 3.05Å; K167-S367 WeakPolarHBondContact CD-O 3.37Å; K167-S367 PolarHBondContact NZ-O 3.06Å; K167-G368 WeakPolarHBondContact CB-O 3.41Å; K167-G368 WeakPolarHBondContact CG-O 3.34Å; K167-E374 WeakPolarHBondContact CB-OE1 3.25Å
168F98.3Very high96.2Very high2 Ų230.4 Ų30.41%0.00918%0.18CC..  trans-104.6107.9163.5-72.2-67.2000110F166 F170 A177 L179 M182 F205 E374 L377 M378 L381F166-F168 HydrophobicContact CD2-CE2 4.33Å; F166-F168 HydrophobicContact CE2-CD2 4.27Å; F166-F168 AromaticContact CE2-CE2 3.88Å; F166-F168 HydrophobicContact CE2-CE2 3.88Å; F166-F168 HydrophobicContact CE2-CZ 4.42Å; F168-F170 HydrophobicContact CB-CE1 4.41Å; F168-F170 HydrophobicContact CB-CZ 4.32Å; F168-A177 HydrophobicContact CD1-CB 4.27Å; F168-A177 HydrophobicContact CE1-CB 4.42Å; F168-L179 HydrophobicContact CD1-CD2 3.58Å; F168-L179 HydrophobicContact CE1-CD2 3.23Å; F168-L179 HydrophobicContact CZ-CD2 4.16Å; F168-M182 HydrophobicContact CE1-CE 4.12Å; F168-M182 HydrophobicContact CE1-SD 3.74Å; F168-M182 HydrophobicContact CZ-SD 3.93Å; F168-F205 HydrophobicContact CB-CZ 3.98Å; F168-F205 WeakPolarHBondContact O-CE1 3.46Å; F168-F205 VanDerWaalsContact O-CZ 3.24Å; F168-F205 WeakPolarHBondContact O-CZ 3.47Å; F168-E374 HydrophobicContact CB-CG 4.12Å; F168-E374 HydrophobicContact CD2-CB 3.78Å; F168-E374 HydrophobicContact CD2-CG 4.19Å; F168-E374 VanDerWaalsContact CE2-O 3.32Å; F168-E374 WeakPolarHBondContact CE2-O 3.25Å; F168-E374 PolarHBondContact N-OE1 2.91Å; F168-L377 HydrophobicContact CD1-CD2 4.46Å; F168-L377 HydrophobicContact CD2-CB 4.17Å; F168-L377 HydrophobicContact CD2-CD2 3.64Å; F168-L377 HydrophobicContact CD2-CG 4.09Å; F168-L377 HydrophobicContact CE2-CB 3.89Å; F168-L377 HydrophobicContact CE2-CD2 3.78Å; F168-L377 HydrophobicContact CE2-CG 3.73Å; F168-L377 HydrophobicContact CG-CD2 4Å; F168-L377 HydrophobicContact CZ-CD2 4.25Å; F168-L377 HydrophobicContact CZ-CG 4.2Å; F168-M378 HydrophobicContact CE2-CB 4.16Å; F168-M378 HydrophobicContact CE2-CE 4.39Å; F168-M378 HydrophobicContact CZ-CB 4.44Å; F168-M378 HydrophobicContact CZ-CE 3.81Å; F168-M378 HydrophobicContact CZ-SD 4.46Å; F168-L381 HydrophobicContact CZ-CD1 3.99Å
169D96.5Very high96.2Very high8 Ų832.2 Ų32.24%0.04318%0.184CC..  trans-106.4113.4169.4-166.4-19.4000109.3T142 T171 P172 S208 E209T142-D169 HydrophobicContact CG2-CB 4.35Å; T142-D169 PolarHBondContact OG1-N 3.24Å; T142-D169 VanDerWaalsContact OG1-N 3.1Å; D169-T171 VanDerWaalsContact C-N 3.27Å; D169-T171 WeakPolarHBondContact OD1-CA 3.48Å; D169-T171 PolarHBondContact OD1-N 2.98Å; D169-P172 HydrophobicContact CB-CB 4.13Å; D169-P172 WeakPolarHBondContact O-CD 3.39Å; D169-S208 VanDerWaalsContact CG-OG 3.23Å; D169-S208 WeakPolarHBondContact OD1-CB 3.33Å; D169-S208 PolarHBondContact OD1-OG 3.25Å; D169-S208 VanDerWaalsContact OD2-CA 3.3Å; D169-S208 WeakPolarHBondContact OD2-CA 3.42Å; D169-S208 PolarHBondContact OD2-OG 2.71Å; D169-S208 VanDerWaalsContact OD2-OG 3.09Å; D169-E209 PolarHBondContact OD2-N 3.05Å
170F96.3Very high96.2Very high128 Ų12839.2 Ų39.256%0.56122%0.216SC*.SBendtrans-81.5-8.3178.4-57.7-55.7000113.3F168 L179 F205 L377F168-F170 HydrophobicContact CB-CE1 4.41Å; F168-F170 HydrophobicContact CB-CZ 4.32Å; F170-L179 HydrophobicContact CE1-CD1 4.14Å; F170-F205 HydrophobicContact CD2-CE1 4.43Å; F170-F205 HydrophobicContact CD2-CZ 4.08Å; F170-F205 HydrophobicContact CE2-CE1 4.14Å; F170-F205 AromaticContact CE2-CE2 3.95Å; F170-F205 HydrophobicContact CE2-CE2 3.95Å; F170-F205 AromaticContact CE2-CZ 3.39Å; F170-F205 HydrophobicContact CE2-CZ 3.39Å; F170-F205 HydrophobicContact CZ-CE2 4.38Å; F170-F205 AromaticContact CZ-CZ 3.95Å; F170-F205 HydrophobicContact CZ-CZ 3.95Å; F170-L377 HydrophobicContact CZ-CD2 4.31Å
171T94.9Very high96.1Very high61 Ų6141.6 Ų41.637%0.37423%0.225SC..SBendtrans-134.957174.248.90000110.2D169 S208 Q210D169-T171 VanDerWaalsContact C-N 3.27Å; D169-T171 WeakPolarHBondContact OD1-CA 3.48Å; D169-T171 PolarHBondContact OD1-N 2.98Å; T171-S208 PolarHBondContact O-OG 3.19Å; T171-S208 WeakPolarHBondContact OG1-CB 3.29Å; T171-S208 PolarHBondContact OG1-OG 2.85Å; T171-Q210 VanDerWaalsContact O-CB 3.23Å; T171-Q210 WeakPolarHBondContact O-CB 3.14Å; T171-Q210 PolarHBondContact OG1-OE1 3.27Å
172P92.6Very high96.1Very high31 Ų3141.6 Ų41.620%0.20123%0.225CC..  trans-68.9156.7-177.625.5-21.6000110.5T142 D169 G174 P176T142-P172 HydrophobicContact CG2-CB 3.98Å; T142-P172 HydrophobicContact CG2-CG 4.08Å; D169-P172 HydrophobicContact CB-CB 4.13Å; D169-P172 WeakPolarHBondContact O-CD 3.39Å; P172-G174 VanDerWaalsContact C-N 3.33Å; P172-P176 HydrophobicContact CG-CB 4.14Å
173V87.5Confident96.1Very high62 Ų6243 Ų4338%0.37624%0.237SC..SBendtrans-70.7-35.1170.2179.40000110.8E209 Q241V173-E209 HydrophobicContact CG2-CB 3.92Å; V173-Q241 HydrophobicContact CG2-CG 4.1Å
174G86.3Confident96.1Very high46 Ų4649 Ų4947%0.47426%0.263SS..SBendtrans-92.7-154.8175.900000112.8P172P172-G174 VanDerWaalsContact C-N 3.33Å
175Q91.1Very high96Very high127 Ų12749.7 Ų49.759%0.59327%0.266SS*.PPolyproline II helixtrans-70.1142177.6-65.8-65.5-18.900111.4R140R140-Q175 VanDerWaalsContact CD-CB 3.49Å
176P95.6Very high96Very high70 Ų7050 Ų5046%0.45527%0.27SS..PPolyproline II helixtrans-69.6152.3177.129.5-34.5000112.6R140 P172R140-P176 WeakPolarHBondContact CD-O 3.43Å; P172-P176 HydrophobicContact CG-CB 4.14Å
177A97.8Very high96Very high13 Ų1357.2 Ų57.211%0.10730%0.304CS..PPolyproline II helixtrans-60.1139171.300000110.5T142 F168 L179 M182T142-A177 HydrophobicContact CG2-CB 4.14Å; F168-A177 HydrophobicContact CD1-CB 4.27Å; F168-A177 HydrophobicContact CE1-CB 4.42Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 HydrophobicContact CB-CD2 4.5Å; A177-L179 PolarHBondContact O-N 3.11Å; A177-M182 HydrophobicContact CB-CE 4.15Å
178N98Very high96Very high41 Ų4162.2 Ų62.222%0.21933%0.327CS..  trans-84.673.1-174.7-164.9-24.2000111.6E125 R140 H180 R181 M182E125-N178 PolarHBondContact OE2-ND2 3.46Å; R140-N178 HydrophobicContact CB-CB 4.36Å; R140-N178 PolarHBondContact O-N 2.74Å; N178-H180 PolarHBondContact O-N 3.04Å; N178-R181 HydrophobicContact CB-CB 4.11Å; N178-R181 VanDerWaalsContact CG-CB 3.44Å; N178-R181 PolarHBondContact O-N 3.37Å; N178-R181 VanDerWaalsContact O-N 3.14Å; N178-R181 VanDerWaalsContact OD1-CB 3.29Å; N178-R181 WeakPolarHBondContact OD1-CB 3.43Å; N178-R181 PolarHBondContact OD1-N 2.93Å; N178-R181 VanDerWaalsContact OD1-N 3.09Å; N178-M182 WeakPolarHBondContact O-CG 2.83Å; N178-M182 PolarHBondContact O-N 3.07Å; N178-M182 VanDerWaalsContact O-N 3.07Å
179L98.1Very high96Very high58 Ų5863.7 Ų63.730%0.30434%0.343SS..Hα-helixtrans-57-36.2-177.2-58.4-177.7000113.2F168 F170 A177 M182 A183 L381F168-L179 HydrophobicContact CD1-CD2 3.58Å; F168-L179 HydrophobicContact CE1-CD2 3.23Å; F168-L179 HydrophobicContact CZ-CD2 4.16Å; F170-L179 HydrophobicContact CE1-CD1 4.14Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 HydrophobicContact CB-CD2 4.5Å; A177-L179 PolarHBondContact O-N 3.11Å; L179-M182 HydrophobicContact CD2-SD 4.19Å; L179-M182 PolarHBondContact O-N 3.3Å; L179-A183 WeakPolarHBondContact O-CB 3.34Å; L179-A183 PolarHBondContact O-N 3.21Å; L179-L381 HydrophobicContact CD2-CD1 4.29Å
180H97.8Very high96.1Very high165 Ų16563.6 Ų63.676%0.76434%0.343SS*.Hα-helixtrans-66.4-41179.3-65.1-61.2000111.8N178 A183 K184N178-H180 PolarHBondContact O-N 3.04Å; H180-A183 PolarHBondContact O-N 3.22Å; H180-K184 WeakPolarHBondContact O-CB 3.38Å; H180-K184 PolarHBondContact O-N 3.35Å
181R97.9Very high96.2Very high52 Ų5258.1 Ų58.120%0.19632%0.319CS..Hα-helixtrans-66.5-41.6174.9-171.8168.8-176.4143.1-8.8111.6E125 D126 F138 F139 N178 A183 K184 L185E125-R181 PolarHBondContact O-NH1 3.35Å; E125-R181 PolarHBondContact O-NH2 3.34Å; D126-R181 IonicContact OD1-NH1 3.81Å; D126-R181 PolarHBondContact OD1-NH1 2.67Å; F138-R181 PolarHBondContact O-NE 3.23Å; F138-R181 PolarHBondContact O-NH2 3.36Å; F139-R181 HydrophobicContact CB-CG 4.06Å; N178-R181 HydrophobicContact CB-CB 4.11Å; N178-R181 VanDerWaalsContact CG-CB 3.44Å; N178-R181 PolarHBondContact O-N 3.37Å; N178-R181 VanDerWaalsContact O-N 3.14Å; N178-R181 VanDerWaalsContact OD1-CB 3.29Å; N178-R181 WeakPolarHBondContact OD1-CB 3.43Å; N178-R181 PolarHBondContact OD1-N 2.93Å; N178-R181 VanDerWaalsContact OD1-N 3.09Å; R181-A183 PolarHBondContact O-N 3.45Å; R181-K184 PolarHBondContact O-N 2.95Å; R181-L185 WeakPolarHBondContact O-CG 3.39Å; R181-L185 PolarHBondContact O-N 3.41Å
182M98.6Very high96.4Very high0 Ų055.2 Ų55.20%030%0.301CS..Hα-helixtrans-59.1-46.5174.1-64.1172.7-173.300111.9F139 R140 T141 F168 A177 N178 L179 K184 L185 G186 M378 L381 M382F139-M182 HydrophobicContact CD2-CE 3.7Å; F139-M182 HydrophobicContact CD2-CG 3.81Å; F139-M182 HydrophobicContact CE2-CE 3.94Å; F139-M182 HydrophobicContact CE2-CG 4.16Å; R140-M182 WeakPolarHBondContact O-CE 3.46Å; T141-M182 HydrophobicContact CG2-CE 3.89Å; F168-M182 HydrophobicContact CE1-CE 4.12Å; F168-M182 HydrophobicContact CE1-SD 3.74Å; F168-M182 HydrophobicContact CZ-SD 3.93Å; A177-M182 HydrophobicContact CB-CE 4.15Å; N178-M182 WeakPolarHBondContact O-CG 2.83Å; N178-M182 PolarHBondContact O-N 3.07Å; N178-M182 VanDerWaalsContact O-N 3.07Å; L179-M182 HydrophobicContact CD2-SD 4.19Å; L179-M182 PolarHBondContact O-N 3.3Å; M182-K184 PolarHBondContact O-N 2.86Å; M182-L185 PolarHBondContact O-N 3Å; M182-G186 PolarHBondContact O-N 3.26Å; M182-G186 VanDerWaalsContact O-N 3.11Å; M182-M378 HydrophobicContact CE-CE 4.17Å; M182-M378 HydrophobicContact SD-CE 4.05Å; M182-M378 HydrophobicContact SD-SD 4.31Å; M182-L381 HydrophobicContact CB-CB 4.33Å; M182-L381 HydrophobicContact CB-CD1 4.19Å; M182-L381 HydrophobicContact SD-CD1 4.18Å; M182-M382 HydrophobicContact CB-CE 3.9Å; M182-M382 HydrophobicContact CG-CE 3.85Å
183A98.4Very high96.7Very high32 Ų3253.7 Ų53.726%0.26429%0.291SS..Hα-helixtrans-61.1-43.5176.900000112L179 H180 R181 L185 G186 E187 L381L179-A183 WeakPolarHBondContact O-CB 3.34Å; L179-A183 PolarHBondContact O-N 3.21Å; H180-A183 PolarHBondContact O-N 3.22Å; R181-A183 PolarHBondContact O-N 3.45Å; A183-L185 PolarHBondContact O-N 3.12Å; A183-G186 PolarHBondContact O-N 3Å; A183-E187 PolarHBondContact O-N 3.27Å; A183-L381 HydrophobicContact CB-CD2 3.94Å
184K98.3Very high97.2Very high127 Ų12750.9 Ų50.955%0.55227%0.274SS*.Hα-helixtrans-62.3-41.3176.6-174.6179.5177.5-171.90112.1H180 R181 M182 G186 E187 E188H180-K184 WeakPolarHBondContact O-CB 3.38Å; H180-K184 PolarHBondContact O-N 3.35Å; R181-K184 PolarHBondContact O-N 2.95Å; M182-K184 PolarHBondContact O-N 2.86Å; K184-G186 VanDerWaalsContact C-N 3.31Å; K184-G186 PolarHBondContact O-N 3.4Å; K184-E187 WeakPolarHBondContact O-CB 3.46Å; K184-E187 PolarHBondContact O-N 3.08Å; K184-E187 VanDerWaalsContact O-N 3.14Å; K184-E188 WeakPolarHBondContact CE-OE1 3.12Å; K184-E188 WeakPolarHBondContact O-CG 3.5Å; K184-E188 PolarHBondContact O-N 2.9Å
185L98Very high97.8Very high15 Ų1548.7 Ų48.78%0.07925%0.252CS..Hα-helixtrans-59.8-42.5175.1-73.9168.4000111.7F139 V152 R181 M182 A183 E187 E188 G189 M382F139-L185 HydrophobicContact CB-CD1 4.41Å; F139-L185 HydrophobicContact CD1-CD1 3.67Å; F139-L185 HydrophobicContact CE1-CD1 4.19Å; F139-L185 HydrophobicContact CG-CD1 4.14Å; V152-L185 HydrophobicContact CG1-CD2 4.27Å; V152-L185 HydrophobicContact CG2-CD1 3.7Å; V152-L185 HydrophobicContact CG2-CD2 3.95Å; V152-L185 HydrophobicContact CG2-CG 4.49Å; R181-L185 WeakPolarHBondContact O-CG 3.39Å; R181-L185 PolarHBondContact O-N 3.41Å; M182-L185 PolarHBondContact O-N 3Å; A183-L185 PolarHBondContact O-N 3.12Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 3.29Å; L185-E188 PolarHBondContact O-N 3.46Å; L185-G189 PolarHBondContact O-N 2.94Å; L185-G189 VanDerWaalsContact O-N 3.07Å; L185-M382 HydrophobicContact CB-SD 4.31Å
186G98.3Very high98.2Very high8 Ų842.7 Ų42.78%0.08222%0.224CC..Hα-helixtrans-65.6-31.1174.500000114.1M182 A183 K184 L381 M382M182-G186 PolarHBondContact O-N 3.26Å; M182-G186 VanDerWaalsContact O-N 3.11Å; A183-G186 PolarHBondContact O-N 3Å; K184-G186 VanDerWaalsContact C-N 3.31Å; K184-G186 PolarHBondContact O-N 3.4Å; G186-L381 WeakPolarHBondContact CA-O 3.29Å; G186-M382 VanDerWaalsContact CA-O 3.3Å; G186-M382 WeakPolarHBondContact CA-O 3.5Å
187E98Very high98.3Very high152 Ų15239.4 Ų39.471%0.7120%0.202SC*.Hα-helixtrans-71.9-38.6172.1-72.1-179.5176.600112.9A183 K184 L185 G189A183-E187 PolarHBondContact O-N 3.27Å; K184-E187 WeakPolarHBondContact O-CB 3.46Å; K184-E187 PolarHBondContact O-N 3.08Å; K184-E187 VanDerWaalsContact O-N 3.14Å; L185-E187 VanDerWaalsContact C-N 3.31Å; L185-E187 PolarHBondContact O-N 3.29Å; E187-G189 PolarHBondContact O-N 3.03Å
188E97.2Very high98.3Very high109 Ų10939.7 Ų39.751%0.50920%0.203SC..Hα-helixtrans-66.5-23.5174.6-71.6179.1-167.800112.5K184 L185K184-E188 WeakPolarHBondContact CE-OE1 3.12Å; K184-E188 WeakPolarHBondContact O-CG 3.5Å; K184-E188 PolarHBondContact O-N 2.9Å; L185-E188 PolarHBondContact O-N 3.46Å
189G97.9Very high98.3Very high32 Ų3239 Ų3933%0.3320%0.199SC..  trans103.2122.1175.700000112.5N159 L185 E187N159-G189 PolarHBondContact ND2-O 3.41Å; L185-G189 PolarHBondContact O-N 2.94Å; L185-G189 VanDerWaalsContact O-N 3.07Å; E187-G189 PolarHBondContact O-N 3.03Å
190V98.7Very high98.3Very high7 Ų736.3 Ų36.34%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-105.9116.6175.8176.60000109.2V161 C192 L193 M382 P384 K385V161-V190 HydrophobicContact CB-CG1 4.06Å; V161-V190 HydrophobicContact CG2-CB 4.37Å; V161-V190 HydrophobicContact CG2-CG1 3.73Å; V161-V190 HydrophobicContact CG2-CG2 3.78Å; V190-C192 WeakPolarHBondContact CG1-O 3.37Å; V190-L193 HydrophobicContact CG1-CB 4.32Å; V190-M382 WeakPolarHBondContact CB-O 3.29Å; V190-M382 HydrophobicContact CG2-CB 4.36Å; V190-M382 WeakPolarHBondContact CG2-O 3.47Å; V190-M382 HydrophobicContact CG2-SD 4.31Å; V190-P384 HydrophobicContact CG1-CB 4.03Å; V190-P384 WeakPolarHBondContact O-CA 3.39Å; V190-K385 PolarHBondContact O-N 2.79Å
191L98.8Very high98.3Very high12 Ų1232.4 Ų32.46%0.06317%0.167CC..EExtended strand (participates in β ladder)trans-71.4-50.3178.6178.162.8000110.5N159 I160 K385 Y386 L425 T426N159-L191 WeakPolarHBondContact O-CB 3.35Å; N159-L191 PolarHBondContact O-N 2.95Å; I160-L191 HydrophobicContact CD1-CB 4.39Å; I160-L191 HydrophobicContact CD1-CD2 4.13Å; I160-L191 HydrophobicContact CD1-CG 4.43Å; L191-K385 HydrophobicContact CD1-CD 4.38Å; L191-K385 WeakPolarHBondContact O-CB 3.41Å; L191-Y386 HydrophobicContact CD1-CD2 3.86Å; L191-Y386 HydrophobicContact CD1-CE2 3.75Å; L191-Y386 HydrophobicContact CG-CD2 4.3Å; L191-Y386 VanDerWaalsContact O-CD2 3.31Å; L191-Y386 WeakPolarHBondContact O-CD2 3.42Å; L191-Y386 PolarHBondContact O-N 3.48Å; L191-L425 HydrophobicContact CD2-CB 3.97Å; L191-T426 WeakPolarHBondContact CD1-O 3.49Å
192C98.9Very high98.2Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-139.3136178.1-169.80000110.2N159 I160 V161 V190 Y386 L425N159-C192 PolarHBondContact O-N 3.3Å; I160-C192 HydrophobicContact CD1-CB 3.79Å; V161-C192 PolarHBondContact N-O 3.49Å; V190-C192 WeakPolarHBondContact CG1-O 3.37Å; C192-Y386 VanDerWaalsContact CA-O 3.28Å; C192-Y386 WeakPolarHBondContact CA-O 3.33Å; C192-L425 HydrophobicContact CB-CD1 3.55Å
193L98.9Very high98.2Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-109.2125.6171.8177.968.3000109.7V161 T163 V190 M378 L379 M382 P384 Y386 F387 V388V161-L193 HydrophobicContact CB-CD1 3.94Å; V161-L193 HydrophobicContact CG1-CD1 3.75Å; V161-L193 CarbonylContact O-C 3.59Å; V161-L193 WeakPolarHBondContact O-CA 3.46Å; T163-L193 HydrophobicContact CG2-CD1 3.82Å; V190-L193 HydrophobicContact CG1-CB 4.32Å; L193-M378 HydrophobicContact CD2-CG 4.48Å; L193-L379 HydrophobicContact CD2-CD2 4.15Å; L193-M382 HydrophobicContact CD1-CB 4.46Å; L193-M382 HydrophobicContact CD1-CG 4.1Å; L193-M382 HydrophobicContact CD2-CB 4.09Å; L193-M382 HydrophobicContact CD2-CG 4.29Å; L193-P384 HydrophobicContact CB-CB 3.57Å; L193-P384 HydrophobicContact CB-CG 3.86Å; L193-P384 HydrophobicContact CD2-CG 4.07Å; L193-Y386 PolarHBondContact N-O 2.66Å; L193-F387 HydrophobicContact CB-CD2 4.3Å; L193-F387 HydrophobicContact CD2-CD2 4.26Å; L193-F387 HydrophobicContact CD2-CE2 4.25Å; L193-F387 HydrophobicContact CG-CD2 4.4Å; L193-F387 HydrophobicContact CG-CE2 4.48Å; L193-V388 PolarHBondContact O-N 2.6Å
194L98.9Very high98Very high3 Ų338.8 Ų38.82%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-98.7118.9165.1-68.472.6000107.1V12 I160 V161 E162 T163 V388 I390V12-L194 HydrophobicContact CG1-CD1 3.81Å; V12-L194 HydrophobicContact CG1-CD2 3.84Å; V12-L194 HydrophobicContact CG1-CG 4.14Å; I160-L194 HydrophobicContact CG2-CD1 3.64Å; V161-L194 PolarHBondContact O-N 3.48Å; E162-L194 WeakPolarHBondContact CA-O 3.39Å; E162-L194 HydrophobicContact CB-CB 4.17Å; E162-L194 HydrophobicContact CG-CB 4.04Å; E162-L194 HydrophobicContact CG-CD2 4.38Å; T163-L194 PolarHBondContact N-O 2.75Å; T163-L194 VanDerWaalsContact N-O 3.08Å; L194-V388 VanDerWaalsContact CA-O 3.27Å; L194-V388 WeakPolarHBondContact CA-O 3.38Å; L194-V388 HydrophobicContact CG-CB 4.29Å; L194-I390 HydrophobicContact CB-CD1 3.93Å; L194-I390 HydrophobicContact CB-CG1 4.26Å; L194-I390 HydrophobicContact CB-CG2 3.79Å; L194-I390 HydrophobicContact CD2-CG2 4.05Å; L194-I390 HydrophobicContact CG-CG2 4.02Å
195S98.9Very high97.9Very high0 Ų036.8 Ų36.80%020%0.201CC..EExtended strand (participates in β ladder)trans-133138.1-173.6-163.40000114.6T163 S197 V388 I390 H400T163-S195 WeakPolarHBondContact OG1-CA 3.44Å; S195-S197 PolarHBondContact O-N 2.87Å; S195-S197 PolarHBondContact O-OG 2.75Å; S195-V388 PolarHBondContact N-O 3.21Å; S195-I390 WeakPolarHBondContact O-CG1 3.49Å; S195-I390 PolarHBondContact O-N 3.44Å; S195-H400 PolarHBondContact OG-CE1 2.96Å
196D98.8Very high97.8Very high1 Ų136.6 Ų36.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-53121.4175.9174.29.6000112.6T163 F166 T198 H369 Q375 H391 H400T163-D196 PolarHBondContact OG1-N 3.2Å; F166-D196 HydrophobicContact CD1-CB 3.9Å; F166-D196 HydrophobicContact CE1-CB 3.95Å; F166-D196 PolarHBondContact N-OD2 3.35Å; D196-T198 VanDerWaalsContact OD1-CB 3.28Å; D196-T198 WeakPolarHBondContact OD1-CB 3.43Å; D196-T198 PolarHBondContact OD1-N 3Å; D196-T198 PolarHBondContact OD1-OG1 3Å; D196-H369 IonicContact OD1-ND1 3.4Å; D196-H369 IonicContact OD2-CE1 3.78Å; D196-H369 IonicContact OD2-CG 3.48Å; D196-H369 IonicContact OD2-ND1 2.71Å; D196-H369 PolarHBondContact OD2-ND1 2.86Å; D196-Q375 PolarHBondContact O-NE2 2.78Å; D196-Q375 VanDerWaalsContact O-NE2 3.08Å; D196-H391 IonicContact OD1-ND1 3.53Å; D196-H400 PolarHBondContact O-CE1 2.97Å; D196-H400 PolarHBondContact O-ND1 3.23Å
197S98.8Very high97.5Very high0 Ų041.1 Ų41.10%022%0.218CC..  trans-106-4.4-174.8-510000113.9S195 N199 A200 P389 I390 H391 M396 H400S195-S197 PolarHBondContact O-N 2.87Å; S195-S197 PolarHBondContact O-OG 2.75Å; S197-N199 VanDerWaalsContact C-N 3.27Å; S197-N199 PolarHBondContact O-N 3.46Å; S197-A200 WeakPolarHBondContact O-CB 3.3Å; S197-A200 PolarHBondContact O-N 2.86Å; S197-P389 WeakPolarHBondContact OG-CB 3.35Å; S197-I390 WeakPolarHBondContact CB-O 3.35Å; S197-I390 PolarHBondContact N-O 3.42Å; S197-I390 PolarHBondContact OG-N 3.25Å; S197-I390 PolarHBondContact OG-O 2.91Å; S197-H391 CarbonylContact C-O 3.57Å; S197-H391 PolarHBondContact N-O 3.45Å; S197-M396 WeakPolarHBondContact O-CB 3.12Å; S197-H400 WeakPolarHBondContact CA-ND1 3.11Å; S197-H400 PolarHBondContact OG-ND1 2.84Å
198T97.3Very high97.3Very high20 Ų2034.6 Ų34.612%0.12319%0.19CC..THydrogen-bonded Turntrans-48.8-45-167.2-520000113.6I21 D196 H369 H391I21-T198 HydrophobicContact CD1-CG2 3.92Å; D196-T198 VanDerWaalsContact OD1-CB 3.28Å; D196-T198 WeakPolarHBondContact OD1-CB 3.43Å; D196-T198 PolarHBondContact OD1-N 3Å; D196-T198 PolarHBondContact OD1-OG1 3Å; T198-H369 HydrophobicContact CG2-CB 4.35Å; T198-H369 PolarHBondContact OG1-ND1 3.49Å; T198-H391 PolarHBondContact N-O 3.18Å; T198-H391 VanDerWaalsContact N-O 3.15Å; T198-H391 PolarHBondContact OG1-CE1 3.1Å; T198-H391 PolarHBondContact OG1-ND1 3.46Å; T198-H391 PolarHBondContact OG1-O 3.49Å
199N97.2Very high97Very high27 Ų2729.7 Ų29.714%0.14417%0.167CC..THydrogen-bonded Turntrans-103.221.5-177.8-85.4-11.8000113.9S197 E201 V202 S367 H369 G370S197-N199 VanDerWaalsContact C-N 3.27Å; S197-N199 PolarHBondContact O-N 3.46Å; N199-E201 PolarHBondContact O-N 2.75Å; N199-E201 VanDerWaalsContact O-N 3.07Å; N199-V202 HydrophobicContact CB-CG2 4.36Å; N199-V202 WeakPolarHBondContact O-CB 3.47Å; N199-V202 PolarHBondContact O-N 2.82Å; N199-S367 WeakPolarHBondContact ND2-CB 3.44Å; N199-S367 PolarHBondContact ND2-OG 3.3Å; N199-H369 HydrophobicContact CB-CB 4.15Å; N199-H369 PolarHBondContact ND2-O 2.88Å; N199-G370 VanDerWaalsContact CB-O 3.3Å; N199-G370 WeakPolarHBondContact CB-O 3.49Å
200A98.2Very high96.6Very high0 Ų032.6 Ų32.60%017%0.172CC..THydrogen-bonded Turntrans-60.2-22.4-179.700000113.9S197 V202 Q372 Q375 M396 I399 H400S197-A200 WeakPolarHBondContact O-CB 3.3Å; S197-A200 PolarHBondContact O-N 2.86Å; A200-V202 VanDerWaalsContact C-N 3.28Å; A200-V202 PolarHBondContact O-N 3.02Å; A200-Q372 WeakPolarHBondContact O-CG 3.43Å; A200-Q372 PolarHBondContact O-NE2 3.35Å; A200-Q375 VanDerWaalsContact CA-OE1 3.23Å; A200-M396 WeakPolarHBondContact CB-O 3.22Å; A200-I399 HydrophobicContact CB-CB 4.24Å; A200-I399 HydrophobicContact CB-CG2 4.09Å; A200-I399 WeakPolarHBondContact O-CG2 3.48Å; A200-H400 HydrophobicContact CB-CB 3.84Å
201E97.7Very high96.2Very high83 Ų8335 Ų3539%0.38819%0.187SC..THydrogen-bonded Turntrans-78.6-11.3177.1-49.4-16487.800113.2N199 P203 R395 I399N199-E201 PolarHBondContact O-N 2.75Å; N199-E201 VanDerWaalsContact O-N 3.07Å; E201-P203 WeakPolarHBondContact O-CD 3.34Å; E201-R395 WeakPolarHBondContact OE1-CD 3.27Å; E201-R395 IonicContact OE1-NE 2.78Å; E201-R395 WeakPolarHBondContact OE2-CD 2.98Å; E201-R395 IonicContact OE2-CZ 2.67Å; E201-R395 IonicContact OE2-NE 3.16Å; E201-R395 PolarHBondContact OE2-NE 3.23Å; E201-R395 IonicContact OE2-NH2 3.68Å; E201-I399 HydrophobicContact CB-CD1 4.37Å; E201-I399 HydrophobicContact CG-CD1 3.68Å
202V97.1Very high95.8Very high49 Ų4934.5 Ų34.530%0.29718%0.184SC..  trans-96.4112.3-174.6-176.30000109.7N199 A200 T204 S371 Q372N199-V202 HydrophobicContact CB-CG2 4.36Å; N199-V202 WeakPolarHBondContact O-CB 3.47Å; N199-V202 PolarHBondContact O-N 2.82Å; A200-V202 VanDerWaalsContact C-N 3.28Å; A200-V202 PolarHBondContact O-N 3.02Å; V202-T204 WeakPolarHBondContact CG1-OG1 3.39Å; V202-T204 PolarHBondContact O-N 2.95Å; V202-S371 WeakPolarHBondContact CG1-OG 3.32Å; V202-S371 WeakPolarHBondContact O-CB 3.49Å; V202-Q372 VanDerWaalsContact O-CG 3.29Å; V202-Q372 WeakPolarHBondContact O-CG 3.28Å; V202-Q372 PolarHBondContact O-N 3.22Å
203P97.4Very high95.5Very high80 Ų8035.2 Ų35.252%0.51919%0.191SC..  trans-79-18.1-173.130.5-36000114.2E201 Q373E201-P203 WeakPolarHBondContact O-CD 3.34Å; P203-Q373 PolarHBondContact O-NE2 3.16Å
204T94.6Very high95.2Very high89 Ų8939.3 Ų39.355%0.54621%0.21SC..SBendtrans-78.9-178.3-175.652.70000112V202 S371V202-T204 WeakPolarHBondContact CG1-OG1 3.39Å; V202-T204 PolarHBondContact O-N 2.95Å; T204-S371 WeakPolarHBondContact O-CB 3.41Å
205F96.5Very high94.9Very high85 Ų8540 Ų4037%0.37322%0.215SC..PPolyproline II helixtrans-96.4135.8170.4-162.6-81.4000109.4F168 F170 Q373 E374F168-F205 HydrophobicContact CB-CZ 3.98Å; F168-F205 WeakPolarHBondContact O-CE1 3.46Å; F168-F205 VanDerWaalsContact O-CZ 3.24Å; F168-F205 WeakPolarHBondContact O-CZ 3.47Å; F170-F205 HydrophobicContact CD2-CE1 4.43Å; F170-F205 HydrophobicContact CD2-CZ 4.08Å; F170-F205 HydrophobicContact CE2-CE1 4.14Å; F170-F205 AromaticContact CE2-CE2 3.95Å; F170-F205 HydrophobicContact CE2-CE2 3.95Å; F170-F205 AromaticContact CE2-CZ 3.39Å; F170-F205 HydrophobicContact CE2-CZ 3.39Å; F170-F205 HydrophobicContact CZ-CE2 4.38Å; F170-F205 AromaticContact CZ-CZ 3.95Å; F170-F205 HydrophobicContact CZ-CZ 3.95Å; F205-Q373 HydrophobicContact CD2-CB 4.02Å; F205-E374 HydrophobicContact CD2-CG 3.74Å; F205-E374 HydrophobicContact CE1-CG 4.19Å; F205-E374 HydrophobicContact CE2-CG 3.37Å; F205-E374 HydrophobicContact CG-CG 4.29Å; F205-E374 HydrophobicContact CZ-CG 3.61Å
206T95.2Very high94.6Very high12 Ų1240 Ų407%0.07422%0.215CC..PPolyproline II helixtrans-64.9135.1-179.4-65.80000110.7K167 T366 S367 H369 S371 E374K167-T206 HydrophobicContact CD-CG2 3.88Å; T206-T366 WeakPolarHBondContact CG2-OG1 3.33Å; T206-S367 WeakPolarHBondContact CG2-O 3.34Å; T206-H369 PolarHBondContact OG1-O 2.74Å; T206-S371 PolarHBondContact OG1-N 3.39Å; T206-S371 PolarHBondContact OG1-OG 3.14Å; T206-E374 VanDerWaalsContact CB-OE2 3.23Å; T206-E374 WeakPolarHBondContact CB-OE2 3.31Å; T206-E374 PolarHBondContact N-OE2 3.48Å; T206-E374 PolarHBondContact OG1-OE2 2.94Å; T206-E374 VanDerWaalsContact OG1-OE2 3.1Å
207K93Very high94.5Very high102 Ų10242.4 Ų42.444%0.44323%0.228SC..PPolyproline II helixtrans-67.7142.5-178.7-64.5-176.3-175.1-176.50110.8N363 T366K207-N363 PolarHBondContact NZ-OD1 3.48Å; K207-T366 PolarHBondContact N-OG1 3.42Å; K207-T366 WeakPolarHBondContact O-CB 3.39Å; K207-T366 WeakPolarHBondContact O-CG2 3.47Å; K207-T366 PolarHBondContact O-OG1 2.76Å
208S93.5Very high94.3Very high16 Ų1649.3 Ų49.311%0.11225%0.254CS..PPolyproline II helixtrans-63.9143.4174.8173.80000112.2D169 T171 Q210 T211 I212D169-S208 VanDerWaalsContact CG-OG 3.23Å; D169-S208 WeakPolarHBondContact OD1-CB 3.33Å; D169-S208 PolarHBondContact OD1-OG 3.25Å; D169-S208 VanDerWaalsContact OD2-CA 3.3Å; D169-S208 WeakPolarHBondContact OD2-CA 3.42Å; D169-S208 PolarHBondContact OD2-OG 2.71Å; D169-S208 VanDerWaalsContact OD2-OG 3.09Å; T171-S208 PolarHBondContact O-OG 3.19Å; T171-S208 WeakPolarHBondContact OG1-CB 3.29Å; T171-S208 PolarHBondContact OG1-OG 2.85Å; S208-Q210 PolarHBondContact O-N 3.23Å; S208-Q210 PolarHBondContact OG-N 3.12Å; S208-Q210 VanDerWaalsContact OG-N 3.14Å; S208-T211 WeakPolarHBondContact O-CB 3.48Å; S208-T211 PolarHBondContact O-N 2.93Å; S208-T211 VanDerWaalsContact O-N 3.17Å; S208-I212 PolarHBondContact O-N 3.42Å
209E89.9Confident94.1Very high6 Ų649.7 Ų49.73%0.02826%0.255CS..Hα-helixtrans-57.2-35.5170.8-71.1-59.1153.500111.6K167 D169 V173 T211 I212 G213 R238 Q241 T366K167-E209 IonicContact NZ-OE1 3.03Å; K167-E209 PolarHBondContact NZ-OE1 3.05Å; D169-E209 PolarHBondContact OD2-N 3.05Å; V173-E209 HydrophobicContact CG2-CB 3.92Å; E209-T211 PolarHBondContact O-N 3.43Å; E209-I212 WeakPolarHBondContact O-CA 3.37Å; E209-I212 WeakPolarHBondContact O-CB 3.1Å; E209-I212 PolarHBondContact O-N 3.02Å; E209-G213 PolarHBondContact O-N 3.48Å; E209-R238 IonicContact OE1-NH2 3.06Å; E209-R238 IonicContact OE2-CZ 3.25Å; E209-R238 IonicContact OE2-NE 3.47Å; E209-R238 IonicContact OE2-NH2 2.71Å; E209-R238 PolarHBondContact OE2-NH2 3.17Å; E209-Q241 PolarHBondContact O-NE2 3.1Å; E209-T366 HydrophobicContact CG-CG2 4.4Å; E209-T366 WeakPolarHBondContact OE1-CG2 3.38Å
210Q90.3Very high94.1Very high93 Ų9348.5 Ų48.544%0.43525%0.249SC..Hα-helixtrans-59.4-37.1178.8-175.7-176.45000112.1T171 S208 I212 G213 Q214T171-Q210 VanDerWaalsContact O-CB 3.23Å; T171-Q210 WeakPolarHBondContact O-CB 3.14Å; T171-Q210 PolarHBondContact OG1-OE1 3.27Å; S208-Q210 PolarHBondContact O-N 3.23Å; S208-Q210 PolarHBondContact OG-N 3.12Å; S208-Q210 VanDerWaalsContact OG-N 3.14Å; Q210-I212 VanDerWaalsContact C-N 3.29Å; Q210-I212 PolarHBondContact O-N 3.5Å; Q210-G213 PolarHBondContact O-N 2.75Å; Q210-Q214 WeakPolarHBondContact O-CG 3.49Å; Q210-Q214 PolarHBondContact O-N 3.14Å; Q210-Q214 VanDerWaalsContact O-N 3.1Å
211T90.8Very high94Very high58 Ų5854.4 Ų54.436%0.35628%0.276SS..Hα-helixtrans-66.4-34.8176.7-57.50000111.3S208 E209 S215S208-T211 WeakPolarHBondContact O-CB 3.48Å; S208-T211 PolarHBondContact O-N 2.93Å; S208-T211 VanDerWaalsContact O-N 3.17Å; E209-T211 PolarHBondContact O-N 3.43Å; T211-S215 PolarHBondContact O-N 3.17Å; T211-S215 VanDerWaalsContact O-N 3.12Å; T211-S215 PolarHBondContact O-OG 2.9Å
212I90.6Very high93.9Very high0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-68.4-45.2175.8-53.7-55.5000110.6S208 E209 Q210 Q214 S215 I216 N363 I364 H365 T366S208-I212 PolarHBondContact O-N 3.42Å; E209-I212 WeakPolarHBondContact O-CA 3.37Å; E209-I212 WeakPolarHBondContact O-CB 3.1Å; E209-I212 PolarHBondContact O-N 3.02Å; Q210-I212 VanDerWaalsContact C-N 3.29Å; Q210-I212 PolarHBondContact O-N 3.5Å; I212-Q214 VanDerWaalsContact C-N 3.32Å; I212-Q214 PolarHBondContact O-N 2.82Å; I212-S215 WeakPolarHBondContact O-CA 3.38Å; I212-S215 WeakPolarHBondContact O-CB 3.46Å; I212-S215 PolarHBondContact O-N 2.78Å; I212-I216 HydrophobicContact CG2-CD1 3.87Å; I212-I216 HydrophobicContact CG2-CG1 4.37Å; I212-I216 WeakPolarHBondContact O-CG1 3.19Å; I212-I216 PolarHBondContact O-N 3.3Å; I212-N363 HydrophobicContact CD1-CB 4.49Å; I212-N363 WeakPolarHBondContact CD1-O 3.2Å; I212-I364 VanDerWaalsContact CG2-C 3.47Å; I212-H365 WeakPolarHBondContact CD1-O 3.3Å; I212-T366 HydrophobicContact CD1-CG2 4.43Å; I212-T366 HydrophobicContact CG1-CG2 3.74Å
213G91.3Very high93.8Very high15 Ų1557.4 Ų57.416%0.15529%0.285CS..Hα-helixtrans-57.8-41.8176.400000113.1E209 Q210 S215 I216 L217E209-G213 PolarHBondContact O-N 3.48Å; Q210-G213 PolarHBondContact O-N 2.75Å; G213-S215 VanDerWaalsContact C-N 3.33Å; G213-S215 PolarHBondContact O-N 3.5Å; G213-I216 PolarHBondContact O-N 2.9Å; G213-L217 PolarHBondContact O-N 3.12Å
214Q92Very high93.6Very high86 Ų8662 Ų6240%0.40230%0.299SS..Hα-helixtrans-64.1-38173.8-69.9175.66.600112.6Q210 I212 R218Q210-Q214 WeakPolarHBondContact O-CG 3.49Å; Q210-Q214 PolarHBondContact O-N 3.14Å; Q210-Q214 VanDerWaalsContact O-N 3.1Å; I212-Q214 VanDerWaalsContact C-N 3.32Å; I212-Q214 PolarHBondContact O-N 2.82Å; Q214-R218 VanDerWaalsContact O-CG 3.3Å; Q214-R218 WeakPolarHBondContact O-CG 3.33Å; Q214-R218 PolarHBondContact O-N 2.73Å; Q214-R218 VanDerWaalsContact O-N 3.1Å
215S93Very high93.6Very high17 Ų1758.2 Ų58.212%0.11928%0.278CS..Hα-helixtrans-68.2-42.6178.5-57.60000111T211 I212 G213 R218 I219 N363T211-S215 PolarHBondContact O-N 3.17Å; T211-S215 VanDerWaalsContact O-N 3.12Å; T211-S215 PolarHBondContact O-OG 2.9Å; I212-S215 WeakPolarHBondContact O-CA 3.38Å; I212-S215 WeakPolarHBondContact O-CB 3.46Å; I212-S215 PolarHBondContact O-N 2.78Å; G213-S215 VanDerWaalsContact C-N 3.33Å; G213-S215 PolarHBondContact O-N 3.5Å; S215-R218 PolarHBondContact O-N 3.44Å; S215-I219 WeakPolarHBondContact O-CB 3.3Å; S215-I219 WeakPolarHBondContact O-CD1 3.46Å; S215-I219 VanDerWaalsContact O-CG1 3.26Å; S215-I219 WeakPolarHBondContact O-CG1 3.46Å; S215-I219 PolarHBondContact O-N 3.42Å; S215-N363 WeakPolarHBondContact CB-O 3.38Å
216I94.2Very high93.6Very high1 Ų154.7 Ų54.71%0.00526%0.262CS..Hα-helixtrans-57.2-51.1174.2-70.2164.1000110.4I212 G213 R218 I219 M220 F229 A245I212-I216 HydrophobicContact CG2-CD1 3.87Å; I212-I216 HydrophobicContact CG2-CG1 4.37Å; I212-I216 WeakPolarHBondContact O-CG1 3.19Å; I212-I216 PolarHBondContact O-N 3.3Å; G213-I216 PolarHBondContact O-N 2.9Å; I216-R218 PolarHBondContact O-N 3.32Å; I216-I219 PolarHBondContact O-N 3.07Å; I216-M220 HydrophobicContact CG2-CG 4.27Å; I216-M220 HydrophobicContact CG2-SD 3.61Å; I216-M220 VanDerWaalsContact O-CG 3.27Å; I216-M220 WeakPolarHBondContact O-CG 3.42Å; I216-M220 PolarHBondContact O-N 3.06Å; I216-F229 HydrophobicContact CD1-CE2 4.33Å; I216-F229 HydrophobicContact CD1-CZ 3.94Å; I216-F229 HydrophobicContact CG1-CE2 4.3Å; I216-F229 HydrophobicContact CG1-CZ 4.37Å; I216-F229 HydrophobicContact CG2-CE2 3.86Å; I216-F229 HydrophobicContact CG2-CZ 4.43Å; I216-A245 HydrophobicContact CG2-CB 4Å
217L95.3Very high93.7Very high52 Ų5254.1 Ų54.127%0.27226%0.259SS..Hα-helixtrans-56.7-50.5178.4177.160.4000112G213 I219 M220 E221 A245 A248 T249G213-L217 PolarHBondContact O-N 3.12Å; L217-I219 PolarHBondContact O-N 3.34Å; L217-M220 PolarHBondContact O-N 3Å; L217-M220 VanDerWaalsContact O-N 3.13Å; L217-E221 HydrophobicContact CD1-CG 4.18Å; L217-E221 HydrophobicContact CG-CG 4.45Å; L217-E221 WeakPolarHBondContact O-CG 3.45Å; L217-E221 PolarHBondContact O-N 3.47Å; L217-A245 HydrophobicContact CB-CB 4.33Å; L217-A245 HydrophobicContact CD1-CB 4.21Å; L217-A248 HydrophobicContact CD1-CB 3.87Å; L217-T249 HydrophobicContact CD1-CG2 4.23Å
218R94.9Very high94Very high144 Ų14449.2 Ų49.254%0.54324%0.238SC..Hα-helixtrans-62.4-29.6-180-72.2175.1-171.1161.36.9113.9Q214 S215 I216Q214-R218 VanDerWaalsContact O-CG 3.3Å; Q214-R218 WeakPolarHBondContact O-CG 3.33Å; Q214-R218 PolarHBondContact O-N 2.73Å; Q214-R218 VanDerWaalsContact O-N 3.1Å; S215-R218 PolarHBondContact O-N 3.44Å; I216-R218 PolarHBondContact O-N 3.32Å
219I94.1Very high94.2Very high29 Ų2948.5 Ų48.515%0.14923%0.232CC..Hα-helixtrans-72.5-50.2174.3-73.5164.7000108.9S215 I216 L217 E221 K222 I223 I329 I357 N362 I364S215-I219 WeakPolarHBondContact O-CB 3.3Å; S215-I219 WeakPolarHBondContact O-CD1 3.46Å; S215-I219 VanDerWaalsContact O-CG1 3.26Å; S215-I219 WeakPolarHBondContact O-CG1 3.46Å; S215-I219 PolarHBondContact O-N 3.42Å; I216-I219 PolarHBondContact O-N 3.07Å; L217-I219 PolarHBondContact O-N 3.34Å; I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 PolarHBondContact O-N 3.24Å; I219-K222 PolarHBondContact O-N 2.97Å; I219-K222 VanDerWaalsContact O-N 3.12Å; I219-I223 HydrophobicContact CG2-CD1 4.04Å; I219-I329 HydrophobicContact CG2-CD1 3.96Å; I219-I357 HydrophobicContact CD1-CG2 4.41Å; I219-I357 HydrophobicContact CG2-CD1 3.39Å; I219-N362 HydrophobicContact CD1-CB 4.5Å; I219-I364 HydrophobicContact CD1-CG2 3.32Å
220M96.1Very high94.5Very high1 Ų148.2 Ų48.21%0.00523%0.231CC..Hα-helixtrans-63-34.1-177.6-66.5179.961.800113.2I216 L217 K222 I223 I227 A245 A246 T249 M295 I329I216-M220 HydrophobicContact CG2-CG 4.27Å; I216-M220 HydrophobicContact CG2-SD 3.61Å; I216-M220 VanDerWaalsContact O-CG 3.27Å; I216-M220 WeakPolarHBondContact O-CG 3.42Å; I216-M220 PolarHBondContact O-N 3.06Å; L217-M220 PolarHBondContact O-N 3Å; L217-M220 VanDerWaalsContact O-N 3.13Å; M220-K222 PolarHBondContact O-N 2.84Å; M220-K222 VanDerWaalsContact O-N 3.17Å; M220-I223 PolarHBondContact O-N 2.91Å; M220-I227 HydrophobicContact CB-CD1 4.01Å; M220-I227 HydrophobicContact CE-CD1 3.83Å; M220-I227 HydrophobicContact CG-CD1 3.89Å; M220-A245 HydrophobicContact CE-CB 4.12Å; M220-A245 HydrophobicContact SD-CB 3.43Å; M220-A245 WeakPolarHBondContact SD-CB 3.41Å; M220-A246 HydrophobicContact CE-CB 4.12Å; M220-T249 HydrophobicContact CB-CG2 4.2Å; M220-M295 HydrophobicContact CE-SD 3.56Å; M220-M295 VanDerWaalsContact CE-SD 3.56Å; M220-M295 HydrophobicContact SD-SD 4.37Å; M220-I329 HydrophobicContact CG-CD1 4.24Å
221E96.3Very high94.7Very high125 Ų12543.9 Ų43.958%0.58421%0.211SC*.THydrogen-bonded Turntrans-58.9-23.6175.3-77.6172.5163.400113.9L217 I219 T249L217-E221 HydrophobicContact CD1-CG 4.18Å; L217-E221 HydrophobicContact CG-CG 4.45Å; L217-E221 WeakPolarHBondContact O-CG 3.45Å; L217-E221 PolarHBondContact O-N 3.47Å; I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 PolarHBondContact O-N 3.24Å; E221-T249 HydrophobicContact CG-CG2 4.02Å
222K95.2Very high94.5Very high174 Ų17443.8 Ų43.876%0.75721%0.206SC*.THydrogen-bonded Turntrans-96.3-7.6-177-61.2175.2-174.3178.30113.5I219 M220I219-K222 PolarHBondContact O-N 2.97Å; I219-K222 VanDerWaalsContact O-N 3.12Å; M220-K222 PolarHBondContact O-N 2.84Å; M220-K222 VanDerWaalsContact O-N 3.17Å
223I96.1Very high94.4Very high21 Ų2144.5 Ų44.511%0.10821%0.212CC..  trans-92121.3-174.5-61.6167.1000108.6I219 M220 I227 R251 T327 I329 I357I219-I223 HydrophobicContact CG2-CD1 4.04Å; M220-I223 PolarHBondContact O-N 2.91Å; I223-I227 HydrophobicContact CB-CD1 4.13Å; I223-I227 HydrophobicContact CB-CG1 4.17Å; I223-I227 HydrophobicContact CD1-CD1 3.93Å; I223-I227 HydrophobicContact CD1-CG1 3.96Å; I223-I227 HydrophobicContact CG2-CD1 4.23Å; I223-I227 HydrophobicContact CG2-CG1 3.73Å; I223-R251 PolarHBondContact O-NH2 3.48Å; I223-T327 HydrophobicContact CD1-CG2 3.57Å; I223-T327 HydrophobicContact CG1-CG2 4.15Å; I223-T327 WeakPolarHBondContact CG2-OG1 3.24Å; I223-I329 HydrophobicContact CD1-CD1 4.06Å; I223-I357 HydrophobicContact CD1-CD1 4.39Å
224E92.2Very high94Very high176 Ų17645.4 Ų45.482%0.82222%0.216SC*.  trans-89.1-30.6177.5-62.4-175.7175.900112.2N292E224-N292 VanDerWaalsContact O-CA 3.28Å; E224-N292 WeakPolarHBondContact O-CA 3.27Å; E224-N292 WeakPolarHBondContact O-CB 3.47Å
225G95.1Very high93.9Very high10 Ų1041.5 Ų41.510%0.10320%0.198CC..SBendtrans-82.3-162.1179.900000114.2R251 A291 D325G225-R251 VanDerWaalsContact O-CZ 3.28Å; G225-R251 PolarHBondContact O-NH1 3.3Å; G225-R251 PolarHBondContact O-NH2 3.28Å; G225-A291 CarbonylContact C-O 3.31Å; G225-A291 VanDerWaalsContact O-O 3.13Å; G225-D325 WeakPolarHBondContact CA-O 3.4Å
226R96.3Very high93.8Very high10 Ų1040.8 Ų40.84%0.03819%0.193CC..  trans-79.7141.4175.2174.9178.371.11751.8110.2A291 L294 I296 Q321 D326 T327R226-A291 VanDerWaalsContact CA-O 3.22Å; R226-A291 WeakPolarHBondContact CA-O 3.49Å; R226-A291 HydrophobicContact CB-CB 4.3Å; R226-A291 PolarHBondContact N-O 3.47Å; R226-L294 HydrophobicContact CG-CB 4.34Å; R226-L294 HydrophobicContact CG-CD2 4Å; R226-L294 HydrophobicContact CG-CG 4.11Å; R226-I296 HydrophobicContact CG-CD1 4.3Å; R226-Q321 PolarHBondContact NH2-O 2.82Å; R226-D326 WeakPolarHBondContact CB-OD1 3.37Å; R226-D326 IonicContact CZ-OD1 2.76Å; R226-D326 IonicContact CZ-OD2 3.46Å; R226-D326 IonicContact NE-OD1 2.6Å; R226-D326 PolarHBondContact NE-OD1 3.42Å; R226-D326 IonicContact NE-OD2 3.76Å; R226-D326 VanDerWaalsContact NH2-CG 3.33Å; R226-D326 IonicContact NH2-OD1 2.66Å; R226-D326 PolarHBondContact NH2-OD1 3.06Å; R226-D326 VanDerWaalsContact NH2-OD1 3.16Å; R226-D326 IonicContact NH2-OD2 3.95Å; R226-D326 PolarHBondContact NH2-OD2 3.23Å; R226-T327 PolarHBondContact O-N 2.95Å
227I98.1Very high93.6Very high0 Ų041.5 Ų41.50%020%0.198CC..EExtended strand (participates in β ladder)trans-102.6128.8179.4-61.8175.1000109.2M220 I223 F229 L294 M295 I296 T327 I329M220-I227 HydrophobicContact CB-CD1 4.01Å; M220-I227 HydrophobicContact CE-CD1 3.83Å; M220-I227 HydrophobicContact CG-CD1 3.89Å; I223-I227 HydrophobicContact CB-CD1 4.13Å; I223-I227 HydrophobicContact CB-CG1 4.17Å; I223-I227 HydrophobicContact CD1-CD1 3.93Å; I223-I227 HydrophobicContact CD1-CG1 3.96Å; I223-I227 HydrophobicContact CG2-CD1 4.23Å; I223-I227 HydrophobicContact CG2-CG1 3.73Å; I227-F229 HydrophobicContact CG2-CB 4.46Å; I227-L294 PolarHBondContact N-O 2.97Å; I227-M295 HydrophobicContact CB-CB 4.41Å; I227-M295 HydrophobicContact CB-CG 4.09Å; I227-M295 HydrophobicContact CG2-CG 3.96Å; I227-M295 HydrophobicContact CG2-SD 4.41Å; I227-M295 CarbonylContact O-C 3.53Å; I227-M295 WeakPolarHBondContact O-CA 3.29Å; I227-I296 PolarHBondContact O-N 2.77Å; I227-T327 CarbonylContact C-O 3.57Å; I227-T327 WeakPolarHBondContact CA-O 3.42Å; I227-I329 HydrophobicContact CG2-CD1 3.93Å; I227-I329 HydrophobicContact CG2-CG1 4.4Å
228I97.8Very high93.4Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-110104.6169.2-56.5175.2000107.6I296 L309 I312 I322 D326 T327 V328 I329I228-I296 CarbonylContact C-O 3.6Å; I228-I296 WeakPolarHBondContact CA-O 3.12Å; I228-I296 HydrophobicContact CG1-CB 4.3Å; I228-I296 HydrophobicContact CG1-CD1 4.28Å; I228-I296 HydrophobicContact CG2-CG2 4.41Å; I228-L309 HydrophobicContact CG2-CD1 3.74Å; I228-I312 HydrophobicContact CD1-CG2 4.43Å; I228-I322 HydrophobicContact CD1-CD1 3.47Å; I228-I322 VanDerWaalsContact CD1-CD1 3.47Å; I228-D326 HydrophobicContact CD1-CB 4.44Å; I228-T327 PolarHBondContact N-O 3.43Å; I228-V328 HydrophobicContact CB-CG1 4.33Å; I228-V328 HydrophobicContact CB-CG2 4.17Å; I228-V328 HydrophobicContact CD1-CG2 4.27Å; I228-V328 HydrophobicContact CG2-CG1 4.33Å; I228-V328 CarbonylContact O-C 3.5Å; I228-V328 WeakPolarHBondContact O-CA 3.47Å; I228-I329 PolarHBondContact O-N 2.69Å
229F97.8Very high93.4Very high0 Ų032.2 Ų32.20%016%0.159CC..EExtended strand (participates in β ladder)trans-99.3113.9-176.2-162.4-79.6000110.4I216 I227 T231 R238 A242 M295 I296 L297 C298 I329 S331I216-F229 HydrophobicContact CD1-CE2 4.33Å; I216-F229 HydrophobicContact CD1-CZ 3.94Å; I216-F229 HydrophobicContact CG1-CE2 4.3Å; I216-F229 HydrophobicContact CG1-CZ 4.37Å; I216-F229 HydrophobicContact CG2-CE2 3.86Å; I216-F229 HydrophobicContact CG2-CZ 4.43Å; I227-F229 HydrophobicContact CG2-CB 4.46Å; F229-T231 HydrophobicContact CD1-CG2 4.16Å; F229-T231 HydrophobicContact CE1-CG2 4Å; F229-R238 HydrophobicContact CE1-CG 4.26Å; F229-R238 HydrophobicContact CZ-CG 4.45Å; F229-A242 HydrophobicContact CD1-CB 4.05Å; F229-A242 HydrophobicContact CD2-CB 4.39Å; F229-A242 HydrophobicContact CE1-CB 3.82Å; F229-A242 HydrophobicContact CE2-CB 4.2Å; F229-A242 HydrophobicContact CG-CB 4.32Å; F229-A242 HydrophobicContact CZ-CB 3.9Å; F229-M295 HydrophobicContact CB-CG 4.24Å; F229-M295 HydrophobicContact CB-SD 4.01Å; F229-M295 HydrophobicContact CD2-SD 4.5Å; F229-M295 HydrophobicContact CG-SD 4.45Å; F229-I296 PolarHBondContact N-O 3.11Å; F229-L297 HydrophobicContact CB-CD1 4.25Å; F229-L297 HydrophobicContact CD1-CD1 3.74Å; F229-L297 HydrophobicContact CG-CD1 4.38Å; F229-L297 WeakPolarHBondContact O-CA 3.47Å; F229-C298 PolarHBondContact O-N 3.32Å; F229-I329 HydrophobicContact CD2-CB 3.99Å; F229-I329 HydrophobicContact CD2-CD1 4.13Å; F229-I329 HydrophobicContact CD2-CG2 4.08Å; F229-I329 HydrophobicContact CE2-CB 4.35Å; F229-I329 HydrophobicContact CE2-CD1 4.48Å; F229-I329 HydrophobicContact CE2-CG2 3.91Å; F229-S331 WeakPolarHBondContact CZ-OG 3.42Å
230A96.9Very high93.4Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-109.4127.5-179.500000111.3C298 L309 I329 S331A230-C298 WeakPolarHBondContact CA-O 3.39Å; A230-L309 HydrophobicContact CB-CD2 3.67Å; A230-I329 PolarHBondContact N-O 3.42Å; A230-S331 PolarHBondContact O-N 2.82Å
231T94Very high93.4Very high2 Ų232.7 Ų32.71%0.01216%0.161CC..  trans-155.4172.1-179.9-173.50000110.9F229 L239 M260 L297 C298F229-T231 HydrophobicContact CD1-CG2 4.16Å; F229-T231 HydrophobicContact CE1-CG2 4Å; T231-L239 HydrophobicContact CG2-CD2 3.44Å; T231-L239 VanDerWaalsContact CG2-CD2 3.44Å; T231-M260 HydrophobicContact CG2-CE 3.89Å; T231-M260 WeakPolarHBondContact O-CE 3.11Å; T231-L297 HydrophobicContact CG2-CD1 4.2Å; T231-C298 PolarHBondContact N-O 3.35Å
232F88.2Confident93.4Very high56 Ų5626.8 Ų26.825%0.24613%0.133CC..  trans-68.3132169.8-62.4-78.4000110.8S234 N235 Q302 I335F232-S234 PolarHBondContact O-N 2.88Å; F232-N235 HydrophobicContact CB-CB 4.4Å; F232-N235 PolarHBondContact O-N 3.22Å; F232-Q302 HydrophobicContact CE1-CG 3.76Å; F232-Q302 HydrophobicContact CZ-CG 3.97Å; F232-I335 HydrophobicContact CE1-CD1 3.98Å; F232-I335 HydrophobicContact CZ-CD1 3.92Å; F232-I335 HydrophobicContact CZ-CG1 4.27Å
233A88.3Confident93.4Very high16 Ų1618.5 Ų18.513%0.13210%0.097CC..THydrogen-bonded Turntrans-62.8-29.6176.300000112.5N235 M260 A263A233-N235 VanDerWaalsContact C-N 3.28Å; A233-N235 PolarHBondContact O-N 3.39Å; A233-M260 HydrophobicContact CB-CB 4.41Å; A233-M260 HydrophobicContact CB-CE 4.25Å; A233-M260 HydrophobicContact CB-SD 4.18Å; A233-A263 HydrophobicContact CB-CB 4.21Å; A233-A263 WeakPolarHBondContact O-CB 3.43Å
234S82.9Confident93.4Very high33 Ų3320.1 Ų20.123%0.23111%0.11CC..THydrogen-bonded Turntrans-70.3-20.2177.255.60000113.7H77 I145 F232 I236H77-S234 PolarHBondContact CD2-OG 3.03Å; H77-S234 PolarHBondContact NE2-OG 3.28Å; I145-S234 WeakPolarHBondContact CD1-O 3.17Å; I145-S234 VanDerWaalsContact CG1-O 3.29Å; I145-S234 WeakPolarHBondContact CG1-O 3.1Å; F232-S234 PolarHBondContact O-N 2.88Å; S234-I236 VanDerWaalsContact C-N 3.26Å; S234-I236 PolarHBondContact O-N 2.81Å
235N88.6Confident93.7Very high5 Ų512 Ų123%0.0277%0.073CC..  trans-83.869.3-177.5-166.7-29.9000111.2S144 F232 A233 S237 R238 L239S144-N235 WeakPolarHBondContact O-CA 3.28Å; S144-N235 PolarHBondContact O-ND2 2.94Å; S144-N235 PolarHBondContact O-OD1 3.42Å; S144-N235 VanDerWaalsContact O-OD1 3.09Å; F232-N235 HydrophobicContact CB-CB 4.4Å; F232-N235 PolarHBondContact O-N 3.22Å; A233-N235 VanDerWaalsContact C-N 3.28Å; A233-N235 PolarHBondContact O-N 3.39Å; N235-S237 PolarHBondContact O-N 3.14Å; N235-R238 HydrophobicContact CB-CB 4Å; N235-R238 VanDerWaalsContact CG-CB 3.4Å; N235-R238 WeakPolarHBondContact O-CA 3.48Å; N235-R238 WeakPolarHBondContact O-CB 3.42Å; N235-R238 PolarHBondContact O-N 3.04Å; N235-R238 WeakPolarHBondContact OD1-CB 3.3Å; N235-R238 PolarHBondContact OD1-N 3.42Å; N235-L239 WeakPolarHBondContact O-CG 3.27Å; N235-L239 PolarHBondContact O-N 3.04Å
236I90.7Very high93.8Very high2 Ų211.5 Ų11.51%0.017%0.068CC..Hα-helixtrans-57.2-35.9-175.9-53.2-59000111.9L100 P146 S234 R238 L239 Q240 A263 Y272 I273L100-I236 HydrophobicContact CD1-CG1 4.35Å; L100-I236 HydrophobicContact CD2-CG1 3.94Å; P146-I236 HydrophobicContact CG-CB 3.74Å; P146-I236 HydrophobicContact CG-CG1 4.39Å; P146-I236 HydrophobicContact CG-CG2 4.19Å; S234-I236 VanDerWaalsContact C-N 3.26Å; S234-I236 PolarHBondContact O-N 2.81Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.12Å; I236-L239 HydrophobicContact CD1-CD1 4.06Å; I236-L239 WeakPolarHBondContact O-CB 3.25Å; I236-L239 PolarHBondContact O-N 3.34Å; I236-Q240 PolarHBondContact O-N 3.04Å; I236-A263 HydrophobicContact CD1-CB 3.74Å; I236-Y272 HydrophobicContact CG2-CG 4.35Å; I236-I273 HydrophobicContact CG2-CD1 4.09Å; I236-I273 HydrophobicContact CG2-CG1 3.9Å
237S89.9Confident93.9Very high16 Ų1613.6 Ų13.611%0.1128%0.082CC..Hα-helixtrans-62.4-40.3175.1-61.40000112N235 Q240 Q241N235-S237 PolarHBondContact O-N 3.14Å; S237-Q240 PolarHBondContact O-N 2.83Å; S237-Q241 VanDerWaalsContact O-CG 3.31Å; S237-Q241 WeakPolarHBondContact O-CG 3.35Å; S237-Q241 PolarHBondContact O-N 3.25Å
238R92.3Very high93.8Very high0 Ų017 Ų170%011%0.11CC..Hα-helixtrans-66.9-38173-17361.355.462.710112E209 F229 N235 I236 Q240 Q241 A242 S331 I364E209-R238 IonicContact OE1-NH2 3.06Å; E209-R238 IonicContact OE2-CZ 3.25Å; E209-R238 IonicContact OE2-NE 3.47Å; E209-R238 IonicContact OE2-NH2 2.71Å; E209-R238 PolarHBondContact OE2-NH2 3.17Å; F229-R238 HydrophobicContact CE1-CG 4.26Å; F229-R238 HydrophobicContact CZ-CG 4.45Å; N235-R238 HydrophobicContact CB-CB 4Å; N235-R238 VanDerWaalsContact CG-CB 3.4Å; N235-R238 WeakPolarHBondContact O-CA 3.48Å; N235-R238 WeakPolarHBondContact O-CB 3.42Å; N235-R238 PolarHBondContact O-N 3.04Å; N235-R238 WeakPolarHBondContact OD1-CB 3.3Å; N235-R238 PolarHBondContact OD1-N 3.42Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.12Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-Q241 PolarHBondContact O-N 3.41Å; R238-A242 WeakPolarHBondContact O-CB 3.43Å; R238-A242 PolarHBondContact O-N 3.38Å; R238-S331 WeakPolarHBondContact CD-OG 3.45Å; R238-S331 PolarHBondContact NH1-O 2.74Å; R238-S331 PolarHBondContact NH1-OG 3.23Å; R238-I364 PolarHBondContact NH1-O 2.91Å
239L94.7Very high93.8Very high0 Ų018.6 Ų18.60%012%0.12CC..Hα-helixtrans-61.3-44.7175.1-54.6-172.5000111T231 N235 I236 Q241 A242 A243 M260 A263 I264 I273 L297T231-L239 HydrophobicContact CG2-CD2 3.44Å; T231-L239 VanDerWaalsContact CG2-CD2 3.44Å; N235-L239 WeakPolarHBondContact O-CG 3.27Å; N235-L239 PolarHBondContact O-N 3.04Å; I236-L239 HydrophobicContact CD1-CD1 4.06Å; I236-L239 WeakPolarHBondContact O-CB 3.25Å; I236-L239 PolarHBondContact O-N 3.34Å; L239-Q241 PolarHBondContact O-N 2.84Å; L239-A242 PolarHBondContact O-N 3.25Å; L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.42Å; L239-A243 PolarHBondContact O-N 2.89Å; L239-M260 HydrophobicContact CD1-SD 3.68Å; L239-M260 HydrophobicContact CD2-CE 4.02Å; L239-M260 HydrophobicContact CD2-SD 3.4Å; L239-M260 WeakPolarHBondContact CD2-SD 3.44Å; L239-M260 HydrophobicContact CG-SD 4.2Å; L239-A263 HydrophobicContact CD1-CB 3.99Å; L239-I264 HydrophobicContact CB-CD1 4.09Å; L239-I264 HydrophobicContact CD1-CD1 3.81Å; L239-I264 HydrophobicContact CD1-CG1 4.49Å; L239-I264 HydrophobicContact CG-CD1 4.48Å; L239-I273 HydrophobicContact CB-CD1 4.04Å; L239-I273 HydrophobicContact CD1-CD1 4.44Å; L239-L297 HydrophobicContact CD2-CD1 4.19Å; L239-L297 HydrophobicContact CD2-CD2 4.22Å
240Q94.8Very high93.7Very high25 Ų2521.1 Ų21.112%0.11715%0.145CC..Hα-helixtrans-58.5-46.3173.4173.262.679.200111.5I236 S237 R238 A243 S244 Y272 I273 T274I236-Q240 PolarHBondContact O-N 3.04Å; S237-Q240 PolarHBondContact O-N 2.83Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; Q240-A243 PolarHBondContact O-N 3.45Å; Q240-S244 PolarHBondContact NE2-OG 3.31Å; Q240-S244 WeakPolarHBondContact O-CB 3.5Å; Q240-S244 PolarHBondContact O-N 3.09Å; Q240-S244 PolarHBondContact O-OG 3.44Å; Q240-S244 VanDerWaalsContact O-OG 3.07Å; Q240-Y272 PolarHBondContact OE1-O 3.36Å; Q240-I273 VanDerWaalsContact OE1-CA 3.23Å; Q240-T274 PolarHBondContact NE2-O 2.93Å
241Q94.7Very high93.8Very high16 Ų1621.6 Ų21.68%0.07515%0.147CC..Hα-helixtrans-62.1-46.3178.8-71.4175.3-30.500112.4V173 E209 S237 R238 L239 A243 S244 A245V173-Q241 HydrophobicContact CG2-CG 4.1Å; E209-Q241 PolarHBondContact O-NE2 3.1Å; S237-Q241 VanDerWaalsContact O-CG 3.31Å; S237-Q241 WeakPolarHBondContact O-CG 3.35Å; S237-Q241 PolarHBondContact O-N 3.25Å; R238-Q241 PolarHBondContact O-N 3.41Å; L239-Q241 PolarHBondContact O-N 2.84Å; Q241-A243 VanDerWaalsContact C-N 3.3Å; Q241-A243 PolarHBondContact O-N 3.03Å; Q241-S244 PolarHBondContact O-N 3.46Å; Q241-A245 WeakPolarHBondContact O-CB 3.4Å; Q241-A245 PolarHBondContact O-N 2.83Å
242A96.1Very high94Very high0 Ų025 Ų250%016%0.162CC..Hα-helixtrans-61.6-41.9176.500000110.8F229 R238 L239 A245 A246 M295F229-A242 HydrophobicContact CD1-CB 4.05Å; F229-A242 HydrophobicContact CD2-CB 4.39Å; F229-A242 HydrophobicContact CE1-CB 3.82Å; F229-A242 HydrophobicContact CE2-CB 4.2Å; F229-A242 HydrophobicContact CG-CB 4.32Å; F229-A242 HydrophobicContact CZ-CB 3.9Å; R238-A242 WeakPolarHBondContact O-CB 3.43Å; R238-A242 PolarHBondContact O-N 3.38Å; L239-A242 PolarHBondContact O-N 3.25Å; A242-A245 PolarHBondContact O-N 3.47Å; A242-A246 WeakPolarHBondContact O-CB 3.43Å; A242-A246 PolarHBondContact O-N 2.85Å; A242-M295 HydrophobicContact CB-CE 4.24Å
243A97Very high94.4Very high0 Ų022.4 Ų22.40%015%0.15CC..Hα-helixtrans-67.8-42.3178.800000112.5L239 Q240 Q241 A245 A246 V247 I253 V275L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.42Å; L239-A243 PolarHBondContact O-N 2.89Å; Q240-A243 PolarHBondContact O-N 3.45Å; Q241-A243 VanDerWaalsContact C-N 3.3Å; Q241-A243 PolarHBondContact O-N 3.03Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 2.89Å; A243-A246 PolarHBondContact O-N 3Å; A243-V247 WeakPolarHBondContact O-CG2 3.23Å; A243-V247 PolarHBondContact O-N 2.85Å; A243-I253 HydrophobicContact CB-CD1 3.62Å; A243-V275 HydrophobicContact CB-CG1 3.73Å
244S96.2Very high94.9Very high56 Ų5621.6 Ų21.639%0.39214%0.144SC..Hα-helixtrans-61.2-41.6172.4-660000112.1Q240 Q241 V247 A248Q240-S244 PolarHBondContact NE2-OG 3.31Å; Q240-S244 WeakPolarHBondContact O-CB 3.5Å; Q240-S244 PolarHBondContact O-N 3.09Å; Q240-S244 PolarHBondContact O-OG 3.44Å; Q240-S244 VanDerWaalsContact O-OG 3.07Å; Q241-S244 PolarHBondContact O-N 3.46Å; S244-V247 PolarHBondContact O-N 2.87Å; S244-A248 WeakPolarHBondContact O-CB 3.17Å; S244-A248 PolarHBondContact O-N 2.96Å
245A97Very high95.5Very high4 Ų421.2 Ų21.23%0.03314%0.14CC..Hα-helixtrans-67.6-37.7178.200000111.9I216 L217 M220 Q241 A242 A243 A248 T249I216-A245 HydrophobicContact CG2-CB 4Å; L217-A245 HydrophobicContact CB-CB 4.33Å; L217-A245 HydrophobicContact CD1-CB 4.21Å; M220-A245 HydrophobicContact CE-CB 4.12Å; M220-A245 HydrophobicContact SD-CB 3.43Å; M220-A245 WeakPolarHBondContact SD-CB 3.41Å; Q241-A245 WeakPolarHBondContact O-CB 3.4Å; Q241-A245 PolarHBondContact O-N 2.83Å; A242-A245 PolarHBondContact O-N 3.47Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 2.89Å; A245-A248 PolarHBondContact O-N 3.06Å; A245-T249 WeakPolarHBondContact O-CB 3.05Å; A245-T249 WeakPolarHBondContact O-CG2 3.33Å; A245-T249 PolarHBondContact O-N 3.42Å; A245-T249 PolarHBondContact O-OG1 3.4Å
246A97.8Very high95.9Very high0 Ų021.5 Ų21.50%014%0.141CC..Hα-helixtrans-61.5-49.1172.500000111.5M220 A242 A243 A248 T249 G250 R251 I253 M295M220-A246 HydrophobicContact CE-CB 4.12Å; A242-A246 WeakPolarHBondContact O-CB 3.43Å; A242-A246 PolarHBondContact O-N 2.85Å; A243-A246 PolarHBondContact O-N 3Å; A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 2.94Å; A246-T249 CarbonylContact O-C 3.58Å; A246-T249 PolarHBondContact O-N 3.1Å; A246-T249 VanDerWaalsContact O-N 3.13Å; A246-T249 PolarHBondContact O-OG1 3.22Å; A246-G250 PolarHBondContact O-N 3Å; A246-G250 VanDerWaalsContact O-N 3.13Å; A246-R251 CarbonylContact C-O 3.58Å; A246-R251 HydrophobicContact CB-CB 4.1Å; A246-R251 PolarHBondContact O-N 3.32Å; A246-I253 HydrophobicContact CB-CD1 3.9Å; A246-I253 HydrophobicContact CB-CG1 3.83Å; A246-M295 HydrophobicContact CB-CB 4.39Å; A246-M295 HydrophobicContact CB-CE 3.7Å; A246-M295 HydrophobicContact CB-SD 4.04Å
247V97.5Very high95.9Very high54 Ų5422.4 Ų22.433%0.32715%0.151SC..Hα-helixtrans-58.7-45.4176.7172.90000111.2A243 S244 T249 G250 V275 P276 T279A243-V247 WeakPolarHBondContact O-CG2 3.23Å; A243-V247 PolarHBondContact O-N 2.85Å; S244-V247 PolarHBondContact O-N 2.87Å; V247-T249 PolarHBondContact O-N 3.15Å; V247-G250 PolarHBondContact O-N 2.83Å; V247-G250 VanDerWaalsContact O-N 3.14Å; V247-V275 HydrophobicContact CG2-CB 4.46Å; V247-V275 HydrophobicContact CG2-CG1 4.35Å; V247-P276 HydrophobicContact CG1-CG 4.06Å; V247-T279 HydrophobicContact CG2-CG2 3.61Å
248A97.2Very high95.8Very high72 Ų7231.5 Ų31.560%0.59518%0.183SC*.Hα-helixtrans-64.1-27.4179.400000113.5L217 S244 A245 A246L217-A248 HydrophobicContact CD1-CB 3.87Å; S244-A248 WeakPolarHBondContact O-CB 3.17Å; S244-A248 PolarHBondContact O-N 2.96Å; A245-A248 PolarHBondContact O-N 3.06Å; A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 2.94Å
249T97.2Very high95.5Very high34 Ų3435.3 Ų35.321%0.20921%0.21CC..THydrogen-bonded Turntrans-97.611177.653.80000113.2L217 M220 E221 A245 A246 V247 R251L217-T249 HydrophobicContact CD1-CG2 4.23Å; M220-T249 HydrophobicContact CB-CG2 4.2Å; E221-T249 HydrophobicContact CG-CG2 4.02Å; A245-T249 WeakPolarHBondContact O-CB 3.05Å; A245-T249 WeakPolarHBondContact O-CG2 3.33Å; A245-T249 PolarHBondContact O-N 3.42Å; A245-T249 PolarHBondContact O-OG1 3.4Å; A246-T249 CarbonylContact O-C 3.58Å; A246-T249 PolarHBondContact O-N 3.1Å; A246-T249 VanDerWaalsContact O-N 3.13Å; A246-T249 PolarHBondContact O-OG1 3.22Å; V247-T249 PolarHBondContact O-N 3.15Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 PolarHBondContact O-N 3.43Å
250G96.4Very high95.4Very high52 Ų5235.3 Ų35.354%0.53621%0.21SC..THydrogen-bonded Turntrans7421.8176.600000114.3A246 V247A246-G250 PolarHBondContact O-N 3Å; A246-G250 VanDerWaalsContact O-N 3.13Å; V247-G250 PolarHBondContact O-N 2.83Å; V247-G250 VanDerWaalsContact O-N 3.14Å
251R97.8Very high95.3Very high10 Ų1038.2 Ų38.24%0.03822%0.223CC..  trans-101.5140.6-175.4-63.2175.9178.2-87.2-0.2112.5I223 G225 A246 T249 A291 N292 E293 L294I223-R251 PolarHBondContact O-NH2 3.48Å; G225-R251 VanDerWaalsContact O-CZ 3.28Å; G225-R251 PolarHBondContact O-NH1 3.3Å; G225-R251 PolarHBondContact O-NH2 3.28Å; A246-R251 CarbonylContact C-O 3.58Å; A246-R251 HydrophobicContact CB-CB 4.1Å; A246-R251 PolarHBondContact O-N 3.32Å; T249-R251 VanDerWaalsContact C-N 3.34Å; T249-R251 PolarHBondContact O-N 3.43Å; R251-A291 PolarHBondContact NH1-O 3Å; R251-A291 VanDerWaalsContact NH1-O 3.08Å; R251-N292 WeakPolarHBondContact CG-O 3.26Å; R251-N292 PolarHBondContact NE-O 2.61Å; R251-N292 VanDerWaalsContact NH1-C 3.31Å; R251-N292 PolarHBondContact NH1-O 2.68Å; R251-N292 PolarHBondContact NH2-O 3.46Å; R251-E293 CarbonylContact C-O 3.39Å; R251-E293 VanDerWaalsContact CA-O 3.28Å; R251-E293 WeakPolarHBondContact CA-O 3.36Å; R251-L294 PolarHBondContact NH1-O 2.88Å
252K98.1Very high95.1Very high75 Ų7540.4 Ų40.433%0.32624%0.235SC..EExtended strand (participates in β ladder)trans-84.8157.2164.9-60.2-59.7-171.8175.10110.6G278 T279 V281 L289 E293 M295K252-G278 VanDerWaalsContact CD-O 3.25Å; K252-G278 WeakPolarHBondContact CD-O 3.45Å; K252-G278 WeakPolarHBondContact CE-O 3.24Å; K252-G278 PolarHBondContact NZ-O 3.48Å; K252-T279 CarbonylContact C-O 3.56Å; K252-T279 WeakPolarHBondContact CA-O 3.36Å; K252-V281 HydrophobicContact CB-CG1 3.88Å; K252-V281 HydrophobicContact CB-CG2 4.17Å; K252-V281 HydrophobicContact CD-CG1 4.3Å; K252-V281 HydrophobicContact CG-CG1 4.13Å; K252-L289 HydrophobicContact CB-CD1 4Å; K252-L289 HydrophobicContact CG-CD1 4.35Å; K252-L289 HydrophobicContact CG-CD2 4.49Å; K252-E293 PolarHBondContact N-O 2.85Å; K252-M295 PolarHBondContact O-N 3.35Å
253I98Very high94.8Very high0 Ų040.6 Ų40.60%024%0.237CC..EExtended strand (participates in β ladder)trans-119.1118.9-173.9-49.9178.3000110.4A243 A246 V255 T279 F280 V281 M295 L297A243-I253 HydrophobicContact CB-CD1 3.62Å; A246-I253 HydrophobicContact CB-CD1 3.9Å; A246-I253 HydrophobicContact CB-CG1 3.83Å; I253-V255 HydrophobicContact CG2-CG2 4.23Å; I253-T279 HydrophobicContact CD1-CG2 3.75Å; I253-T279 HydrophobicContact CG1-CG2 3.95Å; I253-T279 PolarHBondContact N-O 3.49Å; I253-F280 HydrophobicContact CB-CD1 3.76Å; I253-F280 HydrophobicContact CB-CE1 4Å; I253-F280 HydrophobicContact CD1-CD1 4.47Å; I253-F280 HydrophobicContact CD1-CE1 3.99Å; I253-F280 HydrophobicContact CD1-CZ 4.46Å; I253-F280 HydrophobicContact CG2-CD1 3.89Å; I253-F280 HydrophobicContact CG2-CE1 3.84Å; I253-F280 CarbonylContact O-C 3.5Å; I253-F280 VanDerWaalsContact O-CA 3.3Å; I253-F280 WeakPolarHBondContact O-CA 3.14Å; I253-V281 PolarHBondContact O-N 2.91Å; I253-M295 CarbonylContact C-O 3.53Å; I253-M295 VanDerWaalsContact CA-O 3.3Å; I253-M295 WeakPolarHBondContact CA-O 3.21Å; I253-M295 HydrophobicContact CB-CE 4.49Å; I253-M295 HydrophobicContact CD1-CE 3.8Å; I253-M295 HydrophobicContact CG1-CE 3.83Å; I253-M295 HydrophobicContact CG2-CE 3.97Å; I253-L297 HydrophobicContact CG2-CB 3.8Å; I253-L297 HydrophobicContact CG2-CD2 4.34Å
254A97.2Very high94.7Very high0 Ų041 Ų410%024%0.239CC..EExtended strand (participates in β ladder)trans-101.8127.3167.100000109.7F256 V281 I286 L294 M295 I296 L297A254-F256 HydrophobicContact CB-CE2 3.77Å; A254-V281 HydrophobicContact CB-CG2 4.12Å; A254-I286 HydrophobicContact CB-CD1 3.56Å; A254-I286 HydrophobicContact CB-CG1 3.66Å; A254-L294 HydrophobicContact CB-CD1 4.23Å; A254-M295 PolarHBondContact N-O 2.88Å; A254-I296 CarbonylContact O-C 3.16Å; A254-I296 WeakPolarHBondContact O-CA 3.38Å; A254-L297 PolarHBondContact O-N 2.94Å
255V97Very high94.5Very high24 Ų2442.3 Ų42.315%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-100.2134.3-174.2-171.70000110.3I253 M260 E261 I264 F280 L297I253-V255 HydrophobicContact CG2-CG2 4.23Å; V255-M260 HydrophobicContact CG1-CB 3.93Å; V255-M260 HydrophobicContact CG1-CG 3.47Å; V255-M260 VanDerWaalsContact CG1-CG 3.47Å; V255-E261 HydrophobicContact CB-CG 4.31Å; V255-E261 HydrophobicContact CG1-CG 3.89Å; V255-I264 HydrophobicContact CG1-CG1 4.3Å; V255-I264 HydrophobicContact CG2-CG1 4.24Å; V255-F280 HydrophobicContact CG2-CD1 3.73Å; V255-F280 HydrophobicContact CG2-CE1 3.96Å; V255-L297 CarbonylContact C-O 3.58Å; V255-L297 WeakPolarHBondContact CA-O 3.17Å
256F95.5Very high94.2Very high11 Ų1142.9 Ų42.95%0.04825%0.247CC..EExtended strand (participates in β ladder)trans-130.6118.5179.5-73.2-89.8000113.5A254 A283 I286 I296 L297 C298 T299 A308 H317 I320A254-F256 HydrophobicContact CB-CE2 3.77Å; F256-A283 HydrophobicContact CE1-CB 3.88Å; F256-A283 HydrophobicContact CZ-CB 3.6Å; F256-I286 HydrophobicContact CE2-CD1 3.44Å; F256-I286 VanDerWaalsContact CE2-CD1 3.44Å; F256-I286 HydrophobicContact CZ-CD1 3.35Å; F256-I296 HydrophobicContact CD2-CG2 3.68Å; F256-I296 HydrophobicContact CE2-CG2 4.14Å; F256-L297 PolarHBondContact N-O 2.9Å; F256-C298 HydrophobicContact CB-CB 4Å; F256-C298 WeakPolarHBondContact O-CA 3.45Å; F256-T299 PolarHBondContact O-N 3.13Å; F256-A308 HydrophobicContact CB-CB 3.85Å; F256-H317 AromaticContact CD1-CE1 3.43Å; F256-H317 VanDerWaalsContact CD1-CE1 3.43Å; F256-H317 WeakPolarHBondContact CD1-CE1 3.39Å; F256-H317 AromaticContact CD1-NE2 3.51Å; F256-H317 AromaticContact CE1-CE1 3.43Å; F256-H317 VanDerWaalsContact CE1-CE1 3.43Å; F256-H317 WeakPolarHBondContact CE1-CE1 3.41Å; F256-H317 AromaticContact CE1-NE2 3.96Å; F256-I320 HydrophobicContact CD1-CD1 3.96Å; F256-I320 HydrophobicContact CD2-CD1 3.58Å; F256-I320 HydrophobicContact CE1-CD1 3.68Å; F256-I320 HydrophobicContact CE1-CG1 4.41Å; F256-I320 HydrophobicContact CE2-CD1 3.24Å; F256-I320 HydrophobicContact CE2-CG1 4.31Å; F256-I320 HydrophobicContact CG-CD1 3.9Å; F256-I320 HydrophobicContact CZ-CD1 3.29Å; F256-I320 HydrophobicContact CZ-CG1 4Å
257G91.4Very high94Very high21 Ų2142.9 Ų42.922%0.21625%0.247CC..SBendtrans118.9129.1174.500000110S259 M260 E261G257-S259 VanDerWaalsContact C-N 3.28Å; G257-S259 PolarHBondContact O-N 3.1Å; G257-M260 WeakPolarHBondContact O-CA 3.3Å; G257-M260 WeakPolarHBondContact O-CB 3.48Å; G257-M260 PolarHBondContact O-N 2.81Å; G257-E261 PolarHBondContact N-OE1 3.42Å; G257-E261 PolarHBondContact O-N 2.93Å
258R87.8Confident93.8Very high208 Ų20844.4 Ų44.479%0.78525%0.25SS*.Hα-helixtrans-52-44.4-174.6-73.6-174.3-91.5179.3-5.2113M260 E261 N262R258-M260 VanDerWaalsContact C-N 3.31Å; R258-M260 PolarHBondContact O-N 2.88Å; R258-E261 PolarHBondContact O-N 2.74Å; R258-N262 WeakPolarHBondContact O-CB 3.43Å; R258-N262 VanDerWaalsContact O-CG 3.27Å; R258-N262 PolarHBondContact O-N 2.81Å; R258-N262 PolarHBondContact O-ND2 2.83Å
259S85.9Confident93.7Very high80 Ų8049.3 Ų49.356%0.55926%0.258SS*.Hα-helixtrans-63.6-36.8177.8-45.60000112.6G257 A263G257-S259 VanDerWaalsContact C-N 3.28Å; G257-S259 PolarHBondContact O-N 3.1Å; S259-A263 VanDerWaalsContact O-CB 3.26Å; S259-A263 WeakPolarHBondContact O-CB 3.3Å; S259-A263 PolarHBondContact O-N 3Å
260M92.5Very high93.5Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-71.4-43.7177.2-169.46774.600111.4T231 A233 L239 V255 G257 R258 N262 A263 I264 L297 C298 T299T231-M260 HydrophobicContact CG2-CE 3.89Å; T231-M260 WeakPolarHBondContact O-CE 3.11Å; A233-M260 HydrophobicContact CB-CB 4.41Å; A233-M260 HydrophobicContact CB-CE 4.25Å; A233-M260 HydrophobicContact CB-SD 4.18Å; L239-M260 HydrophobicContact CD1-SD 3.68Å; L239-M260 HydrophobicContact CD2-CE 4.02Å; L239-M260 HydrophobicContact CD2-SD 3.4Å; L239-M260 WeakPolarHBondContact CD2-SD 3.44Å; L239-M260 HydrophobicContact CG-SD 4.2Å; V255-M260 HydrophobicContact CG1-CB 3.93Å; V255-M260 HydrophobicContact CG1-CG 3.47Å; V255-M260 VanDerWaalsContact CG1-CG 3.47Å; G257-M260 WeakPolarHBondContact O-CA 3.3Å; G257-M260 WeakPolarHBondContact O-CB 3.48Å; G257-M260 PolarHBondContact O-N 2.81Å; R258-M260 VanDerWaalsContact C-N 3.31Å; R258-M260 PolarHBondContact O-N 2.88Å; M260-N262 PolarHBondContact O-N 2.76Å; M260-A263 WeakPolarHBondContact O-CB 3.49Å; M260-A263 PolarHBondContact O-N 2.94Å; M260-I264 WeakPolarHBondContact O-CG1 3.42Å; M260-I264 PolarHBondContact O-N 3.43Å; M260-L297 HydrophobicContact CG-CD2 4.46Å; M260-L297 HydrophobicContact CG-CG 4.2Å; M260-L297 HydrophobicContact SD-CD2 4.33Å; M260-L297 HydrophobicContact SD-CG 4.18Å; M260-C298 WeakPolarHBondContact CE-O 3.43Å; M260-T299 HydrophobicContact CB-CG2 3.89Å; M260-T299 HydrophobicContact CE-CG2 4.32Å
261E93.4Very high93.3Very high85 Ų8550.4 Ų50.440%0.39726%0.262SS..Hα-helixtrans-58.1-49.2175.4-70161.7-150.800111V255 G257 R258 A263 I264 V265V255-E261 HydrophobicContact CB-CG 4.31Å; V255-E261 HydrophobicContact CG1-CG 3.89Å; G257-E261 PolarHBondContact N-OE1 3.42Å; G257-E261 PolarHBondContact O-N 2.93Å; R258-E261 PolarHBondContact O-N 2.74Å; E261-A263 VanDerWaalsContact C-N 3.31Å; E261-A263 PolarHBondContact O-N 3.26Å; E261-I264 PolarHBondContact O-N 2.73Å; E261-V265 WeakPolarHBondContact O-CG2 3.31Å; E261-V265 PolarHBondContact O-N 2.86Å
262N90.1Very high93.1Very high62 Ų6253 Ų5333%0.33227%0.272SS..Hα-helixtrans-60.6-40.2176.5-72.8-16.4000112.2R258 M260 V265 N266R258-N262 WeakPolarHBondContact O-CB 3.43Å; R258-N262 VanDerWaalsContact O-CG 3.27Å; R258-N262 PolarHBondContact O-N 2.81Å; R258-N262 PolarHBondContact O-ND2 2.83Å; M260-N262 PolarHBondContact O-N 2.76Å; N262-V265 PolarHBondContact O-N 3.31Å; N262-N266 WeakPolarHBondContact O-CB 3.3Å; N262-N266 PolarHBondContact O-N 3.44Å; N262-N266 PolarHBondContact O-ND2 2.83Å
263A90.6Very high92.9Very high4 Ų449.7 Ų49.73%0.03326%0.258CS..Hα-helixtrans-64-42.4176.600000112.3A233 I236 L239 S259 M260 E261 G267A233-A263 HydrophobicContact CB-CB 4.21Å; A233-A263 WeakPolarHBondContact O-CB 3.43Å; I236-A263 HydrophobicContact CD1-CB 3.74Å; L239-A263 HydrophobicContact CD1-CB 3.99Å; S259-A263 VanDerWaalsContact O-CB 3.26Å; S259-A263 WeakPolarHBondContact O-CB 3.3Å; S259-A263 PolarHBondContact O-N 3Å; M260-A263 WeakPolarHBondContact O-CB 3.49Å; M260-A263 PolarHBondContact O-N 2.94Å; E261-A263 VanDerWaalsContact C-N 3.31Å; E261-A263 PolarHBondContact O-N 3.26Å; A263-G267 PolarHBondContact O-N 2.95Å
264I93.5Very high92.8Very high8 Ų854.5 Ų54.54%0.04129%0.287CS..Hα-helixtrans-62.6-49175.3-66-61000110.8L239 V255 M260 E261 N266 G267 Q268 I273 F280 L297L239-I264 HydrophobicContact CB-CD1 4.09Å; L239-I264 HydrophobicContact CD1-CD1 3.81Å; L239-I264 HydrophobicContact CD1-CG1 4.49Å; L239-I264 HydrophobicContact CG-CD1 4.48Å; V255-I264 HydrophobicContact CG1-CG1 4.3Å; V255-I264 HydrophobicContact CG2-CG1 4.24Å; M260-I264 WeakPolarHBondContact O-CG1 3.42Å; M260-I264 PolarHBondContact O-N 3.43Å; E261-I264 PolarHBondContact O-N 2.73Å; I264-N266 PolarHBondContact O-N 2.82Å; I264-G267 PolarHBondContact O-N 3.17Å; I264-Q268 HydrophobicContact CG2-CG 4.37Å; I264-Q268 WeakPolarHBondContact O-CG 3.37Å; I264-Q268 PolarHBondContact O-N 3.32Å; I264-I273 HydrophobicContact CD1-CD1 3.54Å; I264-F280 HydrophobicContact CD1-CE1 4.16Å; I264-F280 HydrophobicContact CD1-CZ 4.06Å; I264-F280 HydrophobicContact CG1-CE1 4.37Å; I264-F280 HydrophobicContact CG2-CD1 4.44Å; I264-F280 HydrophobicContact CG2-CD2 4.38Å; I264-F280 HydrophobicContact CG2-CE1 3.91Å; I264-F280 HydrophobicContact CG2-CE2 3.83Å; I264-F280 HydrophobicContact CG2-CZ 3.58Å; I264-L297 HydrophobicContact CD1-CD2 3.95Å; I264-L297 HydrophobicContact CG1-CD2 4.49Å
265V93.1Very high92.7Very high84 Ų8455.8 Ų55.851%0.50930%0.295SS..Hα-helixtrans-59.3-48.2-179.71710000111.3E261 N262 Q268 K269E261-V265 WeakPolarHBondContact O-CG2 3.31Å; E261-V265 PolarHBondContact O-N 2.86Å; N262-V265 PolarHBondContact O-N 3.31Å; V265-Q268 PolarHBondContact O-N 3.47Å; V265-K269 WeakPolarHBondContact O-CB 3.23Å; V265-K269 PolarHBondContact O-N 2.88Å
266N91Very high92.7Very high17 Ų1758.2 Ų58.29%0.09131%0.311CS..Hα-helixtrans-65.4-42.3177.8-75-23.5000111.6N107 N262 I264 Q268 K269 L270N107-N266 PolarHBondContact ND2-ND2 2.92Å; N107-N266 VanDerWaalsContact ND2-ND2 3.19Å; N262-N266 WeakPolarHBondContact O-CB 3.3Å; N262-N266 PolarHBondContact O-N 3.44Å; N262-N266 PolarHBondContact O-ND2 2.83Å; I264-N266 PolarHBondContact O-N 2.82Å; N266-Q268 PolarHBondContact O-N 3.4Å; N266-K269 PolarHBondContact O-N 3.25Å; N266-L270 WeakPolarHBondContact O-CB 3.41Å; N266-L270 WeakPolarHBondContact O-CG 3.47Å; N266-L270 PolarHBondContact O-N 2.91Å
267G92.9Very high92.6Very high0 Ų065.7 Ų65.70%035%0.352CS..Hα-helixtrans-60.6-42.417700000112.6A263 I264 G271 Y272 I273A263-G267 PolarHBondContact O-N 2.95Å; I264-G267 PolarHBondContact O-N 3.17Å; G267-G271 CarbonylContact O-C 3.46Å; G267-G271 PolarHBondContact O-N 2.98Å; G267-G271 VanDerWaalsContact O-N 3.13Å; G267-Y272 PolarHBondContact O-N 3.48Å; G267-I273 PolarHBondContact O-N 2.91Å
268Q94.2Very high92.7Very high85 Ų8567 Ų6740%0.39737%0.365SS..Hα-helixtrans-66.9-47.1175.1-72.3-178.4-60.500111.6I264 V265 N266 L270 G271 I273I264-Q268 HydrophobicContact CG2-CG 4.37Å; I264-Q268 WeakPolarHBondContact O-CG 3.37Å; I264-Q268 PolarHBondContact O-N 3.32Å; V265-Q268 PolarHBondContact O-N 3.47Å; N266-Q268 PolarHBondContact O-N 3.4Å; Q268-L270 VanDerWaalsContact C-N 3.29Å; Q268-L270 PolarHBondContact O-N 2.79Å; Q268-G271 PolarHBondContact O-N 3.14Å; Q268-G271 VanDerWaalsContact O-N 3.12Å; Q268-I273 HydrophobicContact CG-CB 4.01Å; Q268-I273 HydrophobicContact CG-CG2 3.95Å
269K93.6Very high93.1Very high176 Ų17657.4 Ų57.477%0.76533%0.33SS*.Hα-helixtrans-61.1-37.1-178.8-175.6179.4178.2-177.90112.8V265 N266V265-K269 WeakPolarHBondContact O-CB 3.23Å; V265-K269 PolarHBondContact O-N 2.88Å; N266-K269 PolarHBondContact O-N 3.25Å
270L92.9Very high93.6Very high60 Ų6056 Ų5631%0.31431%0.313SS..THydrogen-bonded Turntrans-88.3-4.4179.1-64.6172.8000113.3A99 L100 A103 N266 Q268 Y272A99-L270 HydrophobicContact CB-CD2 4.18Å; L100-L270 HydrophobicContact CB-CD1 4.2Å; L100-L270 HydrophobicContact CD1-CD1 4.04Å; A103-L270 HydrophobicContact CB-CD1 4.22Å; N266-L270 WeakPolarHBondContact O-CB 3.41Å; N266-L270 WeakPolarHBondContact O-CG 3.47Å; N266-L270 PolarHBondContact O-N 2.91Å; Q268-L270 VanDerWaalsContact C-N 3.29Å; Q268-L270 PolarHBondContact O-N 2.79Å; L270-Y272 HydrophobicContact CB-CD2 3.7Å; L270-Y272 HydrophobicContact CB-CE2 3.55Å; L270-Y272 HydrophobicContact CD1-CD2 4.36Å; L270-Y272 HydrophobicContact CD1-CE2 3.92Å; L270-Y272 HydrophobicContact CG-CE2 4.36Å
271G93.7Very high93.8Very high48 Ų4857 Ų5750%0.49532%0.32SS..THydrogen-bonded Turntrans82.89178.400000115.5G267 Q268G267-G271 CarbonylContact O-C 3.46Å; G267-G271 PolarHBondContact O-N 2.98Å; G267-G271 VanDerWaalsContact O-N 3.13Å; Q268-G271 PolarHBondContact O-N 3.14Å; Q268-G271 VanDerWaalsContact O-N 3.12Å
272Y92.8Very high93.7Very high65 Ų6557.8 Ų57.826%0.25533%0.327SS..SBendtrans-77.5-22.1173.5-59.6-52.5000113.7L100 P146 D147 I236 Q240 G267 L270L100-Y272 HydrophobicContact CB-CE2 4.03Å; L100-Y272 HydrophobicContact CD2-CE2 4.49Å; P146-Y272 HydrophobicContact CB-CD1 4.02Å; P146-Y272 HydrophobicContact CB-CD2 4.39Å; P146-Y272 HydrophobicContact CB-CE1 4.05Å; P146-Y272 HydrophobicContact CB-CE2 4.39Å; P146-Y272 HydrophobicContact CB-CG 4.24Å; P146-Y272 HydrophobicContact CG-CD1 4.3Å; P146-Y272 HydrophobicContact CG-CG 4.2Å; D147-Y272 PolarHBondContact OD1-OH 2.77Å; D147-Y272 VanDerWaalsContact OD1-OH 3.1Å; D147-Y272 PolarHBondContact OD2-OH 2.8Å; I236-Y272 HydrophobicContact CG2-CG 4.35Å; Q240-Y272 PolarHBondContact OE1-O 3.36Å; G267-Y272 PolarHBondContact O-N 3.48Å; L270-Y272 HydrophobicContact CB-CD2 3.7Å; L270-Y272 HydrophobicContact CB-CE2 3.55Å; L270-Y272 HydrophobicContact CD1-CD2 4.36Å; L270-Y272 HydrophobicContact CD1-CE2 3.92Å; L270-Y272 HydrophobicContact CG-CE2 4.36Å
273I94.5Very high93.7Very high5 Ų556.2 Ų56.23%0.02632%0.322CS..  trans-118.9111175.1-61.6176.2000108.8I236 L239 Q240 I264 G267 Q268 F280I236-I273 HydrophobicContact CG2-CD1 4.09Å; I236-I273 HydrophobicContact CG2-CG1 3.9Å; L239-I273 HydrophobicContact CB-CD1 4.04Å; L239-I273 HydrophobicContact CD1-CD1 4.44Å; Q240-I273 VanDerWaalsContact OE1-CA 3.23Å; I264-I273 HydrophobicContact CD1-CD1 3.54Å; G267-I273 PolarHBondContact O-N 2.91Å; Q268-I273 HydrophobicContact CG-CB 4.01Å; Q268-I273 HydrophobicContact CG-CG2 3.95Å; I273-F280 HydrophobicContact CG2-CE2 4.43Å; I273-F280 HydrophobicContact CG2-CZ 4.32Å
274T95Very high93.6Very high102 Ų10261.9 Ų61.963%0.62635%0.347SS*.  trans-120116.4176.4-56.30000108.8Q240Q240-T274 PolarHBondContact NE2-O 2.93Å
275V95.7Very high93.4Very high26 Ų2665.1 Ų65.116%0.15836%0.362CS..  trans-142.5156.5175.9-67.90000110A243 V247 T279 F280A243-V275 HydrophobicContact CB-CG1 3.73Å; V247-V275 HydrophobicContact CG2-CB 4.46Å; V247-V275 HydrophobicContact CG2-CG1 4.35Å; V275-T279 HydrophobicContact CB-CG2 4.13Å; V275-T279 HydrophobicContact CG1-CG2 4.39Å; V275-T279 HydrophobicContact CG2-CG2 4.23Å; V275-F280 HydrophobicContact CG2-CD2 4.01Å; V275-F280 HydrophobicContact CG2-CE2 3.49Å; V275-F280 VanDerWaalsContact CG2-CE2 3.49Å; V275-F280 HydrophobicContact CG2-CZ 4.31Å
276P96.9Very high93.3Very high76 Ų7661.3 Ų61.349%0.49434%0.339SS..  trans-59.8153.6173.3-22.433.9000113V247 T279V247-P276 HydrophobicContact CG1-CG 4.06Å; P276-T279 VanDerWaalsContact O-CB 3.27Å; P276-T279 WeakPolarHBondContact O-CB 3.33Å; P276-T279 PolarHBondContact O-N 3.35Å; P276-T279 PolarHBondContact O-OG1 2.82Å
277D93.3Very high93Very high168 Ų16866.4 Ų66.490%0.89837%0.367SS*.THydrogen-bonded Turntrans-58.5145.1175.8-69-25.4000112.2T279D277-T279 PolarHBondContact O-N 3.41Å
278G93.5Very high92.9Very high47 Ų4772.9 Ų72.949%0.48540%0.401SS..THydrogen-bonded Turntrans68.512.7-176.900000114.2K252K252-G278 VanDerWaalsContact CD-O 3.25Å; K252-G278 WeakPolarHBondContact CD-O 3.45Å; K252-G278 WeakPolarHBondContact CE-O 3.24Å; K252-G278 PolarHBondContact NZ-O 3.48Å
279T96.5Very high92.9Very high8 Ų871 Ų715%0.04939%0.394CS..  trans-65.7-44.4170.9-63.40000111.1V247 K252 I253 V275 P276 D277V247-T279 HydrophobicContact CG2-CG2 3.61Å; K252-T279 CarbonylContact C-O 3.56Å; K252-T279 WeakPolarHBondContact CA-O 3.36Å; I253-T279 HydrophobicContact CD1-CG2 3.75Å; I253-T279 HydrophobicContact CG1-CG2 3.95Å; I253-T279 PolarHBondContact N-O 3.49Å; V275-T279 HydrophobicContact CB-CG2 4.13Å; V275-T279 HydrophobicContact CG1-CG2 4.39Å; V275-T279 HydrophobicContact CG2-CG2 4.23Å; P276-T279 VanDerWaalsContact O-CB 3.27Å; P276-T279 WeakPolarHBondContact O-CB 3.33Å; P276-T279 PolarHBondContact O-N 3.35Å; P276-T279 PolarHBondContact O-OG1 2.82Å; D277-T279 PolarHBondContact O-N 3.41Å
280F96.5Very high92.9Very high49 Ų4965.3 Ų65.322%0.21538%0.375CS..EExtended strand (participates in β ladder)trans-82.6135.4173.6-63.1-72.9000110.2I253 V255 I264 I273 V275I253-F280 HydrophobicContact CB-CD1 3.76Å; I253-F280 HydrophobicContact CB-CE1 4Å; I253-F280 HydrophobicContact CD1-CD1 4.47Å; I253-F280 HydrophobicContact CD1-CE1 3.99Å; I253-F280 HydrophobicContact CD1-CZ 4.46Å; I253-F280 HydrophobicContact CG2-CD1 3.89Å; I253-F280 HydrophobicContact CG2-CE1 3.84Å; I253-F280 CarbonylContact O-C 3.5Å; I253-F280 VanDerWaalsContact O-CA 3.3Å; I253-F280 WeakPolarHBondContact O-CA 3.14Å; V255-F280 HydrophobicContact CG2-CD1 3.73Å; V255-F280 HydrophobicContact CG2-CE1 3.96Å; I264-F280 HydrophobicContact CD1-CE1 4.16Å; I264-F280 HydrophobicContact CD1-CZ 4.06Å; I264-F280 HydrophobicContact CG1-CE1 4.37Å; I264-F280 HydrophobicContact CG2-CD1 4.44Å; I264-F280 HydrophobicContact CG2-CD2 4.38Å; I264-F280 HydrophobicContact CG2-CE1 3.91Å; I264-F280 HydrophobicContact CG2-CE2 3.83Å; I264-F280 HydrophobicContact CG2-CZ 3.58Å; I273-F280 HydrophobicContact CG2-CE2 4.43Å; I273-F280 HydrophobicContact CG2-CZ 4.32Å; V275-F280 HydrophobicContact CG2-CD2 4.01Å; V275-F280 HydrophobicContact CG2-CE2 3.49Å; V275-F280 VanDerWaalsContact CG2-CE2 3.49Å; V275-F280 HydrophobicContact CG2-CZ 4.31Å
281V95.6Very high93Very high22 Ų2264.5 Ų64.513%0.13338%0.377CS..EExtended strand (participates in β ladder)trans-125.6155.5-179.1-65.20000110.5K252 I253 A254 E285 L289K252-V281 HydrophobicContact CB-CG1 3.88Å; K252-V281 HydrophobicContact CB-CG2 4.17Å; K252-V281 HydrophobicContact CD-CG1 4.3Å; K252-V281 HydrophobicContact CG-CG1 4.13Å; I253-V281 PolarHBondContact O-N 2.91Å; A254-V281 HydrophobicContact CB-CG2 4.12Å; V281-E285 HydrophobicContact CB-CB 4.4Å; V281-E285 WeakPolarHBondContact CB-OE1 3.43Å; V281-L289 HydrophobicContact CG1-CD1 4.46Å; V281-L289 HydrophobicContact CG2-CD1 3.99Å
282D92.9Very high93.1Very high102 Ų10266.2 Ų66.255%0.54537%0.374SS..  trans-76.2153.7178.2-76.7-34.9000111.9H284 E285D282-H284 WeakPolarHBondContact CB-CE1 3.34Å; D282-H284 WeakPolarHBondContact CB-ND1 3.25Å; D282-H284 PolarHBondContact O-N 3.39Å; D282-H284 IonicContact OD2-CE1 3.67Å; D282-H284 PolarHBondContact OD2-CE1 3.13Å; D282-H284 IonicContact OD2-ND1 2.76Å; D282-E285 HydrophobicContact CB-CG 4.32Å; D282-E285 PolarHBondContact N-OE1 2.99Å; D282-E285 WeakPolarHBondContact O-CB 3.38Å; D282-E285 PolarHBondContact O-N 3.41Å
283A89.2Confident93.3Very high28 Ų2867 Ų6723%0.23138%0.38CS..THydrogen-bonded Turntrans-60.5-19.3-178.200000114.7F256 I286 Q319F256-A283 HydrophobicContact CE1-CB 3.88Å; F256-A283 HydrophobicContact CZ-CB 3.6Å; A283-I286 HydrophobicContact CB-CD1 4.43Å; A283-Q319 VanDerWaalsContact CB-NE2 3.26Å; A283-Q319 PolarHBondContact O-NE2 3.14Å
284H88.6Confident93.4Very high123 Ų12366.9 Ų66.957%0.56938%0.38SS*.THydrogen-bonded Turntrans-83.4-19.1176.871.7-82.4000113D282D282-H284 WeakPolarHBondContact CB-CE1 3.34Å; D282-H284 WeakPolarHBondContact CB-ND1 3.25Å; D282-H284 PolarHBondContact O-N 3.39Å; D282-H284 IonicContact OD2-CE1 3.67Å; D282-H284 PolarHBondContact OD2-CE1 3.13Å; D282-H284 IonicContact OD2-ND1 2.76Å
285E89.9Confident93.5Very high76 Ų7662 Ų6236%0.35535%0.35SS..THydrogen-bonded Turntrans-81.3-19179.7-59.7-178.2-82.100112.3V281 D282 N287 N288 L289V281-E285 HydrophobicContact CB-CB 4.4Å; V281-E285 WeakPolarHBondContact CB-OE1 3.43Å; D282-E285 HydrophobicContact CB-CG 4.32Å; D282-E285 PolarHBondContact N-OE1 2.99Å; D282-E285 WeakPolarHBondContact O-CB 3.38Å; D282-E285 PolarHBondContact O-N 3.41Å; E285-N287 VanDerWaalsContact C-N 3.29Å; E285-N287 PolarHBondContact O-N 3.13Å; E285-N288 WeakPolarHBondContact O-CB 3.2Å; E285-N288 PolarHBondContact O-N 3.34Å; E285-L289 PolarHBondContact O-N 2.92Å
286I90.4Very high93.6Very high5 Ų560.8 Ų60.83%0.02634%0.343CS..G310 helixtrans-48.7-46.7-177.8-72.5173.5000113A254 F256 A283 N288 L289 L294 I320A254-I286 HydrophobicContact CB-CD1 3.56Å; A254-I286 HydrophobicContact CB-CG1 3.66Å; F256-I286 HydrophobicContact CE2-CD1 3.44Å; F256-I286 VanDerWaalsContact CE2-CD1 3.44Å; F256-I286 HydrophobicContact CZ-CD1 3.35Å; A283-I286 HydrophobicContact CB-CD1 4.43Å; I286-N288 PolarHBondContact O-N 2.9Å; I286-L289 PolarHBondContact O-N 3.49Å; I286-L294 HydrophobicContact CB-CD2 4.36Å; I286-L294 HydrophobicContact CG1-CD1 4.43Å; I286-L294 HydrophobicContact CG1-CD2 4.45Å; I286-L294 HydrophobicContact CG2-CD2 3.64Å; I286-I320 HydrophobicContact CD1-CD1 4.44Å; I286-I320 HydrophobicContact CD1-CG1 4.42Å
287N85.4Confident93.6Very high124 Ų12457.2 Ų57.266%0.66332%0.319SS*.G310 helixtrans-72.4-11.7-175.5-66.3-27.8000113.1E285E285-N287 VanDerWaalsContact C-N 3.29Å; E285-N287 PolarHBondContact O-N 3.13Å
288N90.8Very high93.8Very high136 Ų13649.2 Ų49.273%0.72728%0.276SS*.G310 helixtrans-96.6-8177.7-59.7-33.6000112.5E285 I286E285-N288 WeakPolarHBondContact O-CB 3.2Å; E285-N288 PolarHBondContact O-N 3.34Å; I286-N288 PolarHBondContact O-N 2.9Å
289L93Very high93.8Very high45 Ų4548 Ų4824%0.23626%0.26CS..SBendtrans-94.4138.5-179.8-67.3171.7000110.7K252 V281 E285 I286 L294K252-L289 HydrophobicContact CB-CD1 4Å; K252-L289 HydrophobicContact CG-CD1 4.35Å; K252-L289 HydrophobicContact CG-CD2 4.49Å; V281-L289 HydrophobicContact CG1-CD1 4.46Å; V281-L289 HydrophobicContact CG2-CD1 3.99Å; E285-L289 PolarHBondContact O-N 2.92Å; I286-L289 PolarHBondContact O-N 3.49Å; L289-L294 HydrophobicContact CD1-CD1 4.13Å
290P94.7Very high93.7Very high57 Ų5747.7 Ų47.737%0.3726%0.258SS..  trans-57.1146.1169.1-23.934.6000111.8N292 E293P290-N292 VanDerWaalsContact C-N 3.26Å; P290-N292 VanDerWaalsContact CB-OD1 3.22Å; P290-N292 WeakPolarHBondContact CB-OD1 3.33Å; P290-N292 PolarHBondContact O-N 2.82Å; P290-E293 HydrophobicContact CB-CB 4.32Å; P290-E293 HydrophobicContact CB-CG 4.16Å; P290-E293 HydrophobicContact CG-CG 4.29Å; P290-E293 PolarHBondContact O-N 2.69Å
291A94.1Very high93.5Very high43 Ų4345.4 Ų45.436%0.35525%0.248SC..G310 helixtrans-56.7-40.2-177.900000112.6G225 R226 R251 E293 L294G225-A291 CarbonylContact C-O 3.31Å; G225-A291 VanDerWaalsContact O-O 3.13Å; R226-A291 VanDerWaalsContact CA-O 3.22Å; R226-A291 WeakPolarHBondContact CA-O 3.49Å; R226-A291 HydrophobicContact CB-CB 4.3Å; R226-A291 PolarHBondContact N-O 3.47Å; R251-A291 PolarHBondContact NH1-O 3Å; R251-A291 VanDerWaalsContact NH1-O 3.08Å; A291-E293 PolarHBondContact O-N 2.96Å; A291-L294 PolarHBondContact O-N 2.69Å
292N95.5Very high93.2Very high83 Ų8344.5 Ų44.544%0.44424%0.243SC..G310 helixtrans-71.7-9.3178.568.8-58.7000114E224 R251 P290E224-N292 VanDerWaalsContact O-CA 3.28Å; E224-N292 WeakPolarHBondContact O-CA 3.27Å; E224-N292 WeakPolarHBondContact O-CB 3.47Å; R251-N292 WeakPolarHBondContact CG-O 3.26Å; R251-N292 PolarHBondContact NE-O 2.61Å; R251-N292 VanDerWaalsContact NH1-C 3.31Å; R251-N292 PolarHBondContact NH1-O 2.68Å; R251-N292 PolarHBondContact NH2-O 3.46Å; P290-N292 VanDerWaalsContact C-N 3.26Å; P290-N292 VanDerWaalsContact CB-OD1 3.22Å; P290-N292 WeakPolarHBondContact CB-OD1 3.33Å; P290-N292 PolarHBondContact O-N 2.82Å
293E96.4Very high93Very high82 Ų8240.1 Ų40.138%0.38322%0.221SC..G310 helixtrans-107.78.1179.3-65.3-177.2-165.300112.3R251 K252 P290 A291R251-E293 CarbonylContact C-O 3.39Å; R251-E293 VanDerWaalsContact CA-O 3.28Å; R251-E293 WeakPolarHBondContact CA-O 3.36Å; K252-E293 PolarHBondContact N-O 2.85Å; P290-E293 HydrophobicContact CB-CB 4.32Å; P290-E293 HydrophobicContact CB-CG 4.16Å; P290-E293 HydrophobicContact CG-CG 4.29Å; P290-E293 PolarHBondContact O-N 2.69Å; A291-E293 PolarHBondContact O-N 2.96Å
294L96.8Very high92.8Very high3 Ų342.5 Ų42.52%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-122133.5-175.4-179.862.5000112.6R226 I227 R251 A254 I286 L289 A291 I296R226-L294 HydrophobicContact CG-CB 4.34Å; R226-L294 HydrophobicContact CG-CD2 4Å; R226-L294 HydrophobicContact CG-CG 4.11Å; I227-L294 PolarHBondContact N-O 2.97Å; R251-L294 PolarHBondContact NH1-O 2.88Å; A254-L294 HydrophobicContact CB-CD1 4.23Å; I286-L294 HydrophobicContact CB-CD2 4.36Å; I286-L294 HydrophobicContact CG1-CD1 4.43Å; I286-L294 HydrophobicContact CG1-CD2 4.45Å; I286-L294 HydrophobicContact CG2-CD2 3.64Å; L289-L294 HydrophobicContact CD1-CD1 4.13Å; A291-L294 PolarHBondContact O-N 2.69Å; L294-I296 HydrophobicContact CD2-CD1 4.49Å; L294-I296 HydrophobicContact CD2-CG1 4.33Å; L294-I296 HydrophobicContact CG-CG1 4.33Å
295M97.9Very high92.5Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-120.5129.7161.5-174.4177.875.400109.7M220 I227 F229 A242 A246 K252 I253 A254M220-M295 HydrophobicContact CE-SD 3.56Å; M220-M295 VanDerWaalsContact CE-SD 3.56Å; M220-M295 HydrophobicContact SD-SD 4.37Å; I227-M295 HydrophobicContact CB-CB 4.41Å; I227-M295 HydrophobicContact CB-CG 4.09Å; I227-M295 HydrophobicContact CG2-CG 3.96Å; I227-M295 HydrophobicContact CG2-SD 4.41Å; I227-M295 CarbonylContact O-C 3.53Å; I227-M295 WeakPolarHBondContact O-CA 3.29Å; F229-M295 HydrophobicContact CB-CG 4.24Å; F229-M295 HydrophobicContact CB-SD 4.01Å; F229-M295 HydrophobicContact CD2-SD 4.5Å; F229-M295 HydrophobicContact CG-SD 4.45Å; A242-M295 HydrophobicContact CB-CE 4.24Å; A246-M295 HydrophobicContact CB-CB 4.39Å; A246-M295 HydrophobicContact CB-CE 3.7Å; A246-M295 HydrophobicContact CB-SD 4.04Å; K252-M295 PolarHBondContact O-N 3.35Å; I253-M295 CarbonylContact C-O 3.53Å; I253-M295 VanDerWaalsContact CA-O 3.3Å; I253-M295 WeakPolarHBondContact CA-O 3.21Å; I253-M295 HydrophobicContact CB-CE 4.49Å; I253-M295 HydrophobicContact CD1-CE 3.8Å; I253-M295 HydrophobicContact CG1-CE 3.83Å; I253-M295 HydrophobicContact CG2-CE 3.97Å; A254-M295 PolarHBondContact N-O 2.88Å
296I97.5Very high92.3Very high0 Ų045 Ų450%025%0.25CC..EExtended strand (participates in β ladder)trans-98.5113.1171.8-65.8171.5000107.4R226 I227 I228 F229 A254 F256 L294 C298 I320R226-I296 HydrophobicContact CG-CD1 4.3Å; I227-I296 PolarHBondContact O-N 2.77Å; I228-I296 CarbonylContact C-O 3.6Å; I228-I296 WeakPolarHBondContact CA-O 3.12Å; I228-I296 HydrophobicContact CG1-CB 4.3Å; I228-I296 HydrophobicContact CG1-CD1 4.28Å; I228-I296 HydrophobicContact CG2-CG2 4.41Å; F229-I296 PolarHBondContact N-O 3.11Å; A254-I296 CarbonylContact O-C 3.16Å; A254-I296 WeakPolarHBondContact O-CA 3.38Å; F256-I296 HydrophobicContact CD2-CG2 3.68Å; F256-I296 HydrophobicContact CE2-CG2 4.14Å; L294-I296 HydrophobicContact CD2-CD1 4.49Å; L294-I296 HydrophobicContact CD2-CG1 4.33Å; L294-I296 HydrophobicContact CG-CG1 4.33Å; I296-C298 HydrophobicContact CG2-CB 4.41Å; I296-I320 HydrophobicContact CD1-CD1 3.74Å; I296-I320 HydrophobicContact CD1-CG1 4.08Å; I296-I320 HydrophobicContact CD1-CG2 3.88Å; I296-I320 HydrophobicContact CG1-CD1 4.35Å; I296-I320 HydrophobicContact CG2-CD1 3.85Å
297L97.8Very high92.3Very high0 Ų045.6 Ų45.60%026%0.255CS..EExtended strand (participates in β ladder)trans-97.7117.9177.1-18062.9000109.5F229 T231 L239 I253 A254 V255 F256 M260 I264F229-L297 HydrophobicContact CB-CD1 4.25Å; F229-L297 HydrophobicContact CD1-CD1 3.74Å; F229-L297 HydrophobicContact CG-CD1 4.38Å; F229-L297 WeakPolarHBondContact O-CA 3.47Å; T231-L297 HydrophobicContact CG2-CD1 4.2Å; L239-L297 HydrophobicContact CD2-CD1 4.19Å; L239-L297 HydrophobicContact CD2-CD2 4.22Å; I253-L297 HydrophobicContact CG2-CB 3.8Å; I253-L297 HydrophobicContact CG2-CD2 4.34Å; A254-L297 PolarHBondContact O-N 2.94Å; V255-L297 CarbonylContact C-O 3.58Å; V255-L297 WeakPolarHBondContact CA-O 3.17Å; F256-L297 PolarHBondContact N-O 2.9Å; M260-L297 HydrophobicContact CG-CD2 4.46Å; M260-L297 HydrophobicContact CG-CG 4.2Å; M260-L297 HydrophobicContact SD-CD2 4.33Å; M260-L297 HydrophobicContact SD-CG 4.18Å; I264-L297 HydrophobicContact CD1-CD2 3.95Å; I264-L297 HydrophobicContact CG1-CD2 4.49Å
298C96.7Very high92.8Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-141161.4-168.368.50000115.2F229 A230 T231 F256 M260 I296 A308F229-C298 PolarHBondContact O-N 3.32Å; A230-C298 WeakPolarHBondContact CA-O 3.39Å; T231-C298 PolarHBondContact N-O 3.35Å; F256-C298 HydrophobicContact CB-CB 4Å; F256-C298 WeakPolarHBondContact O-CA 3.45Å; M260-C298 WeakPolarHBondContact CE-O 3.43Å; I296-C298 HydrophobicContact CG2-CB 4.41Å; C298-A308 HydrophobicContact CB-CB 3.89Å
299T94.8Very high93Very high22 Ų2233.6 Ų33.614%0.13519%0.192CC..SBendtrans-82.5170.1168.254.90000111.7F256 M260 A308 L309F256-T299 PolarHBondContact O-N 3.13Å; M260-T299 HydrophobicContact CB-CG2 3.89Å; M260-T299 HydrophobicContact CE-CG2 4.32Å; T299-A308 PolarHBondContact OG1-N 2.78Å; T299-L309 WeakPolarHBondContact O-CB 3.41Å; T299-L309 PolarHBondContact O-N 3.45Å
300G92.6Very high93.1Very high2 Ų231.6 Ų31.62%0.02118%0.182CC..  trans105.820.3175.700000114.4Q302 G303 E304 L345G300-Q302 PolarHBondContact O-N 2.95Å; G300-G303 PolarHBondContact O-N 3.08Å; G300-E304 VanDerWaalsContact C-OE2 3.24Å; G300-E304 VanDerWaalsContact CA-OE2 3.22Å; G300-E304 WeakPolarHBondContact CA-OE2 3.48Å; G300-L345 WeakPolarHBondContact O-CD2 3.38Å
301S92.3Very high93.1Very high1 Ų133.1 Ų33.11%0.00718%0.18CC..THydrogen-bonded Turntrans-70.8-7.7-17879.20000113.9S332S301-S332 VanDerWaalsContact CB-OG 3.31Å; S301-S332 WeakPolarHBondContact CB-OG 3.43Å; S301-S332 PolarHBondContact O-OG 2.85Å; S301-S332 WeakPolarHBondContact OG-CB 3.32Å; S301-S332 PolarHBondContact OG-OG 3.28Å
302Q90.1Very high93.1Very high3 Ų331.1 Ų31.11%0.01416%0.164CC..THydrogen-bonded Turntrans-108.57.5176.7-58.8-62.3-52.500112.9F232 G300 E304 S333 I335 N338 V342F232-Q302 HydrophobicContact CE1-CG 3.76Å; F232-Q302 HydrophobicContact CZ-CG 3.97Å; G300-Q302 PolarHBondContact O-N 2.95Å; Q302-E304 VanDerWaalsContact C-N 3.35Å; Q302-E304 WeakPolarHBondContact CA-OE2 3.38Å; Q302-E304 HydrophobicContact CB-CG 4.29Å; Q302-E304 WeakPolarHBondContact CB-OE2 3.37Å; Q302-E304 PolarHBondContact N-OE2 3.21Å; Q302-S333 PolarHBondContact NE2-O 2.97Å; Q302-I335 HydrophobicContact CG-CD1 4.13Å; Q302-N338 HydrophobicContact CB-CB 4.26Å; Q302-V342 VanDerWaalsContact C-CG2 3.41Å; Q302-V342 WeakPolarHBondContact O-CG2 3.46Å
303G88.5Confident93.1Very high9 Ų927.8 Ų27.89%0.09315%0.148CC..  trans76.521.2-178.800000113.9G300 P305G300-G303 PolarHBondContact O-N 3.08Å; G303-P305 WeakPolarHBondContact O-CD 3.33Å
304E85.7Confident92.8Very high78 Ų7827.9 Ų27.936%0.36415%0.151SC..  trans-62.2123179-52.596.4130.700109.7G300 Q302 M306 A307 S310G300-E304 VanDerWaalsContact C-OE2 3.24Å; G300-E304 VanDerWaalsContact CA-OE2 3.22Å; G300-E304 WeakPolarHBondContact CA-OE2 3.48Å; Q302-E304 VanDerWaalsContact C-N 3.35Å; Q302-E304 WeakPolarHBondContact CA-OE2 3.38Å; Q302-E304 HydrophobicContact CB-CG 4.29Å; Q302-E304 WeakPolarHBondContact CB-OE2 3.37Å; Q302-E304 PolarHBondContact N-OE2 3.21Å; E304-M306 VanDerWaalsContact C-N 3.28Å; E304-M306 PolarHBondContact O-N 2.98Å; E304-M306 VanDerWaalsContact O-N 3.11Å; E304-A307 HydrophobicContact CB-CB 3.94Å; E304-A307 WeakPolarHBondContact O-CB 3.35Å; E304-A307 PolarHBondContact O-N 3.35Å; E304-S310 WeakPolarHBondContact O-CB 3.19Å; E304-S310 PolarHBondContact O-OG 3.07Å
305P81.7Confident92.5Very high93 Ų9330 Ų3060%0.60417%0.174SC*.THydrogen-bonded Turntrans-58.2-36-166.1-2934.2000114.7G303 S310G303-P305 WeakPolarHBondContact O-CD 3.33Å; P305-S310 WeakPolarHBondContact O-CB 3.12Å
306M85.6Confident92.2Very high160 Ų16034.2 Ų34.279%0.78820%0.199SC*.THydrogen-bonded Turntrans-91-5.5-176.9-64.5-59.411100113.8E304 R311E304-M306 VanDerWaalsContact C-N 3.28Å; E304-M306 PolarHBondContact O-N 2.98Å; E304-M306 VanDerWaalsContact O-N 3.11Å; M306-R311 WeakPolarHBondContact O-CD 3.48Å
307A91.5Very high91.9Very high16 Ų1635 Ų3513%0.13220%0.203CC..SBendtrans-71.7162.718000000112E304 L309 S310 R311E304-A307 HydrophobicContact CB-CB 3.94Å; E304-A307 WeakPolarHBondContact O-CB 3.35Å; E304-A307 PolarHBondContact O-N 3.35Å; A307-L309 PolarHBondContact O-N 3.02Å; A307-S310 PolarHBondContact O-N 2.94Å; A307-R311 WeakPolarHBondContact O-CG 3.36Å; A307-R311 PolarHBondContact O-N 3.2Å; A307-R311 VanDerWaalsContact O-N 3.08Å
308A94.4Very high91.5Very high8 Ų845 Ų457%0.06624%0.241CC..Hα-helixtrans-57.2-50.7-171.900000112.4F256 C298 T299 S310 R311 I312F256-A308 HydrophobicContact CB-CB 3.85Å; C298-A308 HydrophobicContact CB-CB 3.89Å; T299-A308 PolarHBondContact OG1-N 2.78Å; A308-S310 PolarHBondContact O-N 3.28Å; A308-R311 PolarHBondContact O-N 2.78Å; A308-I312 VanDerWaalsContact O-CG1 3.23Å; A308-I312 WeakPolarHBondContact O-CG1 3.43Å; A308-I312 PolarHBondContact O-N 2.92Å
309L96.4Very high91.1Very high0 Ų047.9 Ų47.90%025%0.254CS..Hα-helixtrans-61.5-44.3-178.6-172.864.7000112.6I228 A230 T299 A307 R311 I312 A313 V328 F330 L345 L349I228-L309 HydrophobicContact CG2-CD1 3.74Å; A230-L309 HydrophobicContact CB-CD2 3.67Å; T299-L309 WeakPolarHBondContact O-CB 3.41Å; T299-L309 PolarHBondContact O-N 3.45Å; A307-L309 PolarHBondContact O-N 3.02Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.15Å; L309-I312 WeakPolarHBondContact O-CB 3.42Å; L309-I312 PolarHBondContact O-N 3.36Å; L309-I312 VanDerWaalsContact O-N 3.12Å; L309-A313 PolarHBondContact O-N 3.08Å; L309-V328 HydrophobicContact CD1-CG1 3.94Å; L309-V328 HydrophobicContact CD2-CG1 4.32Å; L309-F330 HydrophobicContact CD2-CD1 4.42Å; L309-F330 HydrophobicContact CD2-CE1 3.6Å; L309-F330 HydrophobicContact CD2-CE2 4.19Å; L309-F330 HydrophobicContact CD2-CZ 3.47Å; L309-F330 VanDerWaalsContact CD2-CZ 3.47Å; L309-L345 HydrophobicContact CB-CD2 4.37Å; L309-L345 HydrophobicContact CD2-CD2 3.66Å; L309-L345 HydrophobicContact CD2-CG 4.4Å; L309-L345 HydrophobicContact CG-CD2 3.88Å; L309-L345 HydrophobicContact CG-CG 4.47Å; L309-L349 HydrophobicContact CD1-CD1 4.35Å; L309-L349 HydrophobicContact CD1-CD2 4.44Å; L309-L349 HydrophobicContact CD2-CD1 4.38Å; L309-L349 HydrophobicContact CG-CD1 4.47Å
310S94.1Very high91Very high4 Ų446.9 Ų46.93%0.02825%0.248CC..Hα-helixtrans-60.4-41.4178.1-55.40000112E304 P305 A307 A308 I312 N314E304-S310 WeakPolarHBondContact O-CB 3.19Å; E304-S310 PolarHBondContact O-OG 3.07Å; P305-S310 WeakPolarHBondContact O-CB 3.12Å; A307-S310 PolarHBondContact O-N 2.94Å; A308-S310 PolarHBondContact O-N 3.28Å; S310-I312 VanDerWaalsContact C-N 3.34Å; S310-N314 WeakPolarHBondContact O-CB 3.5Å; S310-N314 PolarHBondContact O-N 3.37Å; S310-N314 PolarHBondContact O-ND2 3.17Å
311R94.5Very high91Very high88 Ų8853.4 Ų53.433%0.33228%0.278SS..Hα-helixtrans-67.2-35.6175.7-68.8-17762-150.5-4.1112.5M306 A307 A308 L309 G315 T316 H317M306-R311 WeakPolarHBondContact O-CD 3.48Å; A307-R311 WeakPolarHBondContact O-CG 3.36Å; A307-R311 PolarHBondContact O-N 3.2Å; A307-R311 VanDerWaalsContact O-N 3.08Å; A308-R311 PolarHBondContact O-N 2.78Å; L309-R311 VanDerWaalsContact C-N 3.31Å; L309-R311 PolarHBondContact O-N 3.15Å; R311-G315 PolarHBondContact O-N 3.31Å; R311-T316 PolarHBondContact NH2-O 3.35Å; R311-T316 PolarHBondContact O-N 3.31Å; R311-T316 PolarHBondContact O-OG1 3.26Å; R311-H317 HydrophobicContact CB-CB 4Å; R311-H317 PolarHBondContact O-N 2.92Å
312I94.9Very high91.1Very high2 Ų254.6 Ų54.61%0.0128%0.284CS..Hα-helixtrans-65.3-49.9176.4-69.3165000110I228 A308 L309 S310 N314 G315 H317 I320 I322I228-I312 HydrophobicContact CD1-CG2 4.43Å; A308-I312 VanDerWaalsContact O-CG1 3.23Å; A308-I312 WeakPolarHBondContact O-CG1 3.43Å; A308-I312 PolarHBondContact O-N 2.92Å; L309-I312 WeakPolarHBondContact O-CB 3.42Å; L309-I312 PolarHBondContact O-N 3.36Å; L309-I312 VanDerWaalsContact O-N 3.12Å; S310-I312 VanDerWaalsContact C-N 3.34Å; I312-N314 VanDerWaalsContact C-N 3.34Å; I312-N314 PolarHBondContact O-N 2.72Å; I312-G315 PolarHBondContact O-N 2.65Å; I312-G315 VanDerWaalsContact O-N 3.08Å; I312-H317 HydrophobicContact CB-CB 4.4Å; I312-H317 HydrophobicContact CG1-CB 3.71Å; I312-I320 HydrophobicContact CD1-CB 4.22Å; I312-I320 HydrophobicContact CD1-CD1 3.94Å; I312-I320 HydrophobicContact CD1-CG2 4.03Å; I312-I320 HydrophobicContact CG1-CB 4.01Å; I312-I320 HydrophobicContact CG1-CG2 4.01Å; I312-I320 HydrophobicContact CG2-CG2 3.87Å; I312-I322 HydrophobicContact CG2-CD1 3.53Å; I312-I322 HydrophobicContact CG2-CG1 3.83Å
313A94.5Very high91.2Very high13 Ų1359 Ų5911%0.10730%0.304CS..Hα-helixtrans-62.4-39.5179.400000112.7L309 G315 L345 L348 L349L309-A313 PolarHBondContact O-N 3.08Å; A313-G315 PolarHBondContact O-N 3.38Å; A313-L345 HydrophobicContact CB-CD1 3.24Å; A313-L348 HydrophobicContact CB-CB 4.12Å; A313-L349 HydrophobicContact CB-CD2 3.57Å; A313-L349 HydrophobicContact CB-CG 3.86Å
314N91.2Very high91.2Very high84 Ų8463.1 Ų63.145%0.44933%0.33SS..THydrogen-bonded Turntrans-77.70.8176.5-75.5-65.3000114S310 I312 T316 L348S310-N314 WeakPolarHBondContact O-CB 3.5Å; S310-N314 PolarHBondContact O-N 3.37Å; S310-N314 PolarHBondContact O-ND2 3.17Å; I312-N314 VanDerWaalsContact C-N 3.34Å; I312-N314 PolarHBondContact O-N 2.72Å; N314-T316 HydrophobicContact CB-CG2 4.39Å; N314-T316 PolarHBondContact O-N 3.26Å; N314-L348 VanDerWaalsContact OD1-CD1 3.27Å; N314-L348 WeakPolarHBondContact OD1-CD1 3.33Å
315G90.3Very high91.4Very high48 Ų4865.7 Ų65.750%0.49535%0.346SS..THydrogen-bonded Turntrans67.414.1-178.700000115.3R311 I312 A313R311-G315 PolarHBondContact O-N 3.31Å; I312-G315 PolarHBondContact O-N 2.65Å; I312-G315 VanDerWaalsContact O-N 3.08Å; A313-G315 PolarHBondContact O-N 3.38Å
316T91Very high92.1Very high87 Ų8761.4 Ų61.453%0.53432%0.318SS..  trans-98.4-0.6-179.362.80000113.4R311 N314R311-T316 PolarHBondContact NH2-O 3.35Å; R311-T316 PolarHBondContact O-N 3.31Å; R311-T316 PolarHBondContact O-OG1 3.26Å; N314-T316 HydrophobicContact CB-CG2 4.39Å; N314-T316 PolarHBondContact O-N 3.26Å
317H91.6Very high92.7Very high18 Ų1854.5 Ų54.58%0.08329%0.285CS..  trans-76.7132.4176.4-167-91.1000111F256 R311 I312 Q319 I320F256-H317 AromaticContact CD1-CE1 3.43Å; F256-H317 VanDerWaalsContact CD1-CE1 3.43Å; F256-H317 WeakPolarHBondContact CD1-CE1 3.39Å; F256-H317 AromaticContact CD1-NE2 3.51Å; F256-H317 AromaticContact CE1-CE1 3.43Å; F256-H317 VanDerWaalsContact CE1-CE1 3.43Å; F256-H317 WeakPolarHBondContact CE1-CE1 3.41Å; F256-H317 AromaticContact CE1-NE2 3.96Å; R311-H317 HydrophobicContact CB-CB 4Å; R311-H317 PolarHBondContact O-N 2.92Å; I312-H317 HydrophobicContact CB-CB 4.4Å; I312-H317 HydrophobicContact CG1-CB 3.71Å; H317-Q319 VanDerWaalsContact C-N 3.33Å; H317-Q319 PolarHBondContact ND1-N 2.99Å; H317-Q319 PolarHBondContact O-N 3.19Å; H317-I320 PolarHBondContact ND1-N 3.22Å
318R88.8Confident93Very high209 Ų20953.7 Ų53.779%0.78928%0.278SS*.SBendtrans-64.5-33.7-168.5-173.1178.767.1173.70.7113.9
319Q88.7Confident93.1Very high61 Ų6153.4 Ų53.429%0.28528%0.275SS..SBendtrans-120.2-11.5-167-70.4168.1-88.500113.9A283 H317A283-Q319 VanDerWaalsContact CB-NE2 3.26Å; A283-Q319 PolarHBondContact O-NE2 3.14Å; H317-Q319 VanDerWaalsContact C-N 3.33Å; H317-Q319 PolarHBondContact ND1-N 2.99Å; H317-Q319 PolarHBondContact O-N 3.19Å
320I92.1Very high93.1Very high1 Ų153.6 Ų53.61%0.00528%0.276CS..  trans-133128.9-173.4-59.3164.9000107.6F256 I286 I296 I312 H317F256-I320 HydrophobicContact CD1-CD1 3.96Å; F256-I320 HydrophobicContact CD2-CD1 3.58Å; F256-I320 HydrophobicContact CE1-CD1 3.68Å; F256-I320 HydrophobicContact CE1-CG1 4.41Å; F256-I320 HydrophobicContact CE2-CD1 3.24Å; F256-I320 HydrophobicContact CE2-CG1 4.31Å; F256-I320 HydrophobicContact CG-CD1 3.9Å; F256-I320 HydrophobicContact CZ-CD1 3.29Å; F256-I320 HydrophobicContact CZ-CG1 4Å; I286-I320 HydrophobicContact CD1-CD1 4.44Å; I286-I320 HydrophobicContact CD1-CG1 4.42Å; I296-I320 HydrophobicContact CD1-CD1 3.74Å; I296-I320 HydrophobicContact CD1-CG1 4.08Å; I296-I320 HydrophobicContact CD1-CG2 3.88Å; I296-I320 HydrophobicContact CG1-CD1 4.35Å; I296-I320 HydrophobicContact CG2-CD1 3.85Å; I312-I320 HydrophobicContact CD1-CB 4.22Å; I312-I320 HydrophobicContact CD1-CD1 3.94Å; I312-I320 HydrophobicContact CD1-CG2 4.03Å; I312-I320 HydrophobicContact CG1-CB 4.01Å; I312-I320 HydrophobicContact CG1-CG2 4.01Å; I312-I320 HydrophobicContact CG2-CG2 3.87Å; H317-I320 PolarHBondContact ND1-N 3.22Å
321Q92.6Very high93.1Very high139 Ų13953.4 Ų53.465%0.6528%0.275SS*.  trans-123147.9167.8-66.2176.4-1.200107.6R226R226-Q321 PolarHBondContact NH2-O 2.82Å
322I95Very high92.9Very high25 Ų2549.6 Ų49.613%0.12826%0.262CS..  trans-64.2137.3173.2-65-61.2000110I228 I312 D326 V328 L349 A352 A354I228-I322 HydrophobicContact CD1-CD1 3.47Å; I228-I322 VanDerWaalsContact CD1-CD1 3.47Å; I312-I322 HydrophobicContact CG2-CD1 3.53Å; I312-I322 HydrophobicContact CG2-CG1 3.83Å; I322-D326 WeakPolarHBondContact CA-OD2 3.44Å; I322-V328 HydrophobicContact CD1-CG2 4.46Å; I322-L349 HydrophobicContact CD1-CD2 3.58Å; I322-L349 HydrophobicContact CG1-CD2 3.81Å; I322-A352 HydrophobicContact CB-CB 3.87Å; I322-A352 HydrophobicContact CG1-CB 4.39Å; I322-A352 HydrophobicContact CG2-CB 3.6Å; I322-A354 HydrophobicContact CG2-CB 3.77Å
323Q91.6Very high92.5Very high95 Ų9551.8 Ų51.844%0.44428%0.278SS..  trans-113.9150.3173.7-62.4178.5-0.300109.3D325 D326Q323-D325 PolarHBondContact O-N 3.14Å; Q323-D326 PolarHBondContact N-OD2 3.27Å; Q323-D326 VanDerWaalsContact O-CB 3.3Å; Q323-D326 WeakPolarHBondContact O-CB 3.49Å; Q323-D326 PolarHBondContact O-N 3.14Å
324P89.4Confident92.1Very high97 Ų9753.5 Ų53.563%0.6329%0.287SS*.THydrogen-bonded Turntrans-57.6-23.6-177.2-2836.1000115.8G353P324-G353 CarbonylContact C-O 3.6Å
325D89.7Confident91.5Very high132 Ų13252.8 Ų52.871%0.70628%0.283SS*.THydrogen-bonded Turntrans-99.59.9179.5-57.7-37.8000112.7G225 Q323G225-D325 WeakPolarHBondContact CA-O 3.4Å; Q323-D325 PolarHBondContact O-N 3.14Å
326D96.4Very high90.6Very high2 Ų255.5 Ų55.51%0.01129%0.292CS..  trans-69.7142.4174.9-76.7-25.6000111.2R226 I228 I322 Q323 A354 E355R226-D326 WeakPolarHBondContact CB-OD1 3.37Å; R226-D326 IonicContact CZ-OD1 2.76Å; R226-D326 IonicContact CZ-OD2 3.46Å; R226-D326 IonicContact NE-OD1 2.6Å; R226-D326 PolarHBondContact NE-OD1 3.42Å; R226-D326 IonicContact NE-OD2 3.76Å; R226-D326 VanDerWaalsContact NH2-CG 3.33Å; R226-D326 IonicContact NH2-OD1 2.66Å; R226-D326 PolarHBondContact NH2-OD1 3.06Å; R226-D326 VanDerWaalsContact NH2-OD1 3.16Å; R226-D326 IonicContact NH2-OD2 3.95Å; R226-D326 PolarHBondContact NH2-OD2 3.23Å; I228-D326 HydrophobicContact CD1-CB 4.44Å; I322-D326 WeakPolarHBondContact CA-OD2 3.44Å; Q323-D326 PolarHBondContact N-OD2 3.27Å; Q323-D326 VanDerWaalsContact O-CB 3.3Å; Q323-D326 WeakPolarHBondContact O-CB 3.49Å; Q323-D326 PolarHBondContact O-N 3.14Å; D326-A354 HydrophobicContact CB-CB 4.07Å; D326-A354 WeakPolarHBondContact O-CA 3.13Å; D326-E355 PolarHBondContact O-N 3.23Å
327T98Very high89.7Confident15 Ų1553.1 Ų53.19%0.09229%0.285CS..EExtended strand (participates in β ladder)trans-113.8121.1165.5-55.60000110.3I223 R226 I227 I228 I329 E355 I357I223-T327 HydrophobicContact CD1-CG2 3.57Å; I223-T327 HydrophobicContact CG1-CG2 4.15Å; I223-T327 WeakPolarHBondContact CG2-OG1 3.24Å; R226-T327 PolarHBondContact O-N 2.95Å; I227-T327 CarbonylContact C-O 3.57Å; I227-T327 WeakPolarHBondContact CA-O 3.42Å; I228-T327 PolarHBondContact N-O 3.43Å; T327-I329 HydrophobicContact CG2-CG1 4.39Å; T327-E355 CarbonylContact C-O 3.52Å; T327-E355 WeakPolarHBondContact CA-O 3.44Å; T327-E355 HydrophobicContact CG2-CB 4.48Å; T327-E355 HydrophobicContact CG2-CG 4.47Å; T327-I357 HydrophobicContact CG2-CD1 3.62Å; T327-I357 HydrophobicContact CG2-CG1 3.85Å
328V97.5Very high89.3Confident0 Ų054.7 Ų54.70%029%0.294CS..EExtended strand (participates in β ladder)trans-99.3123.5176.6-170.30000110I228 L309 I322 F330 L349 A354 E355 I357I228-V328 HydrophobicContact CB-CG1 4.33Å; I228-V328 HydrophobicContact CB-CG2 4.17Å; I228-V328 HydrophobicContact CD1-CG2 4.27Å; I228-V328 HydrophobicContact CG2-CG1 4.33Å; I228-V328 CarbonylContact O-C 3.5Å; I228-V328 WeakPolarHBondContact O-CA 3.47Å; L309-V328 HydrophobicContact CD1-CG1 3.94Å; L309-V328 HydrophobicContact CD2-CG1 4.32Å; I322-V328 HydrophobicContact CD1-CG2 4.46Å; V328-F330 HydrophobicContact CG1-CD2 4.11Å; V328-F330 HydrophobicContact CG1-CE2 3.77Å; V328-L349 HydrophobicContact CB-CD1 4.26Å; V328-L349 HydrophobicContact CG1-CD1 3.89Å; V328-L349 HydrophobicContact CG2-CD1 4.15Å; V328-L349 HydrophobicContact CG2-CD2 4.06Å; V328-A354 HydrophobicContact CG2-CB 3.99Å; V328-E355 PolarHBondContact N-O 3.27Å; V328-I357 PolarHBondContact O-N 2.74Å
329I96.9Very high89.2Confident1 Ų147.8 Ų47.81%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-108.4114.7178.6-55.3178.7000109.1I219 M220 I223 I227 I228 F229 A230 T327 S331 I357 I364I219-I329 HydrophobicContact CG2-CD1 3.96Å; M220-I329 HydrophobicContact CG-CD1 4.24Å; I223-I329 HydrophobicContact CD1-CD1 4.06Å; I227-I329 HydrophobicContact CG2-CD1 3.93Å; I227-I329 HydrophobicContact CG2-CG1 4.4Å; I228-I329 PolarHBondContact O-N 2.69Å; F229-I329 HydrophobicContact CD2-CB 3.99Å; F229-I329 HydrophobicContact CD2-CD1 4.13Å; F229-I329 HydrophobicContact CD2-CG2 4.08Å; F229-I329 HydrophobicContact CE2-CB 4.35Å; F229-I329 HydrophobicContact CE2-CD1 4.48Å; F229-I329 HydrophobicContact CE2-CG2 3.91Å; A230-I329 PolarHBondContact N-O 3.42Å; T327-I329 HydrophobicContact CG2-CG1 4.39Å; I329-S331 PolarHBondContact O-N 3.48Å; I329-I357 HydrophobicContact CG1-CB 4.33Å; I329-I357 HydrophobicContact CG1-CD1 4.35Å; I329-I364 HydrophobicContact CG2-CD1 4.16Å; I329-I364 HydrophobicContact CG2-CG2 4.46Å
330F96Very high89.2Confident4 Ų449.9 Ų49.92%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-87.789.7170.7-76.2-100.1000110L309 V328 S332 V342 L345 I346 L349 V356 I357 H358 I364L309-F330 HydrophobicContact CD2-CD1 4.42Å; L309-F330 HydrophobicContact CD2-CE1 3.6Å; L309-F330 HydrophobicContact CD2-CE2 4.19Å; L309-F330 HydrophobicContact CD2-CZ 3.47Å; L309-F330 VanDerWaalsContact CD2-CZ 3.47Å; V328-F330 HydrophobicContact CG1-CD2 4.11Å; V328-F330 HydrophobicContact CG1-CE2 3.77Å; F330-S332 PolarHBondContact O-N 3.19Å; F330-V342 HydrophobicContact CD1-CG1 4.45Å; F330-V342 HydrophobicContact CE1-CG1 4.3Å; F330-L345 HydrophobicContact CE1-CD2 4.08Å; F330-L345 HydrophobicContact CZ-CD2 4.06Å; F330-L345 HydrophobicContact CZ-CG 4.11Å; F330-I346 HydrophobicContact CE2-CG1 3.96Å; F330-I346 HydrophobicContact CZ-CG1 4Å; F330-L349 HydrophobicContact CE2-CD1 3.64Å; F330-L349 HydrophobicContact CZ-CD1 3.68Å; F330-V356 HydrophobicContact CD2-CG1 3.69Å; F330-V356 HydrophobicContact CE2-CG1 3.58Å; F330-I357 PolarHBondContact N-O 3.47Å; F330-H358 HydrophobicContact CB-CB 3.97Å; F330-H358 HydrophobicContact CD2-CB 4.29Å; F330-H358 HydrophobicContact CG-CB 4.36Å; F330-I364 WeakPolarHBondContact O-CD1 3.41Å
331S94.1Very high88.9Confident0 Ų052.1 Ų52.10%031%0.308CS..  trans-81.640.6178-161.50000112.7F229 A230 R238 I329 I364F229-S331 WeakPolarHBondContact CZ-OG 3.42Å; A230-S331 PolarHBondContact O-N 2.82Å; R238-S331 WeakPolarHBondContact CD-OG 3.45Å; R238-S331 PolarHBondContact NH1-O 2.74Å; R238-S331 PolarHBondContact NH1-OG 3.23Å; I329-S331 PolarHBondContact O-N 3.48Å; S331-I364 PolarHBondContact OG-O 3.11Å
332S90.2Very high88.9Confident9 Ų945.7 Ų45.76%0.06328%0.278CS..SBendtrans-138.4170.9-177.965.40000110.3S301 F330S301-S332 VanDerWaalsContact CB-OG 3.31Å; S301-S332 WeakPolarHBondContact CB-OG 3.43Å; S301-S332 PolarHBondContact O-OG 2.85Å; S301-S332 WeakPolarHBondContact OG-CB 3.32Å; S301-S332 PolarHBondContact OG-OG 3.28Å; F330-S332 PolarHBondContact O-N 3.19Å
333S86.9Confident88.9Confident48 Ų4848.3 Ų48.334%0.33629%0.292SS..  trans-113144159.8-178.20000107.9Q302 I335Q302-S333 PolarHBondContact NE2-O 2.97Å; S333-I335 PolarHBondContact O-N 3.31Å
334P85.9Confident89Confident48 Ų4848.9 Ų48.931%0.31230%0.295SS..PPolyproline II helixtrans-55.9128.6168-20.931.5000110.1V342P334-V342 HydrophobicContact CB-CB 4.45Å; P334-V342 HydrophobicContact CB-CG2 4.17Å; P334-V342 HydrophobicContact CG-CB 4.19Å; P334-V342 HydrophobicContact CG-CG1 4.06Å; P334-V342 HydrophobicContact CG-CG2 4.25Å
335I79.5Confident89.2Confident69 Ų6944.4 Ų44.435%0.35427%0.265SS..PPolyproline II helixtrans-71.7144168.4-62.8170.5000107.1F232 Q302 S333 G337 N338F232-I335 HydrophobicContact CE1-CD1 3.98Å; F232-I335 HydrophobicContact CZ-CD1 3.92Å; F232-I335 HydrophobicContact CZ-CG1 4.27Å; Q302-I335 HydrophobicContact CG-CD1 4.13Å; S333-I335 PolarHBondContact O-N 3.31Å; I335-G337 PolarHBondContact O-N 3.49Å; I335-N338 PolarHBondContact O-N 3.4Å
336P70.9Confident89.4Confident105 Ų10538.8 Ų38.868%0.68224%0.235SC*.THydrogen-bonded Turntrans-46.3134.6170.1-29.136.5000111.8N338P336-N338 VanDerWaalsContact C-N 3.35Å; P336-N338 PolarHBondContact O-N 3.18Å
337G72.8Confident89.4Confident38 Ų3843.1 Ų43.139%0.39226%0.258SS..THydrogen-bonded Turntrans92.7-42.4-169.800000113.7I335 T339I335-G337 PolarHBondContact O-N 3.49Å; G337-T339 VanDerWaalsContact C-N 3.31Å; G337-T339 PolarHBondContact O-N 3.39Å
338N82.4Confident89.2Confident50 Ų5044 Ų4427%0.26726%0.262SS..THydrogen-bonded Turntrans-84.61.7-174.7-68-21.8000114.9Q302 I335 P336 T340 S341 V342Q302-N338 HydrophobicContact CB-CB 4.26Å; I335-N338 PolarHBondContact O-N 3.4Å; P336-N338 VanDerWaalsContact C-N 3.35Å; P336-N338 PolarHBondContact O-N 3.18Å; N338-T340 VanDerWaalsContact C-N 3.3Å; N338-T340 PolarHBondContact O-N 3.4Å; N338-S341 PolarHBondContact O-N 3.33Å; N338-V342 WeakPolarHBondContact O-CG2 3.34Å; N338-V342 PolarHBondContact O-N 3.37Å
339T86.5Confident89.2Confident65 Ų6544 Ų4440%0.39926%0.262SS..Hα-helixtrans-60.7-40.4-175-60.10000111.9G337 N343G337-T339 VanDerWaalsContact C-N 3.31Å; G337-T339 PolarHBondContact O-N 3.39Å; T339-N343 WeakPolarHBondContact O-CB 3.46Å; T339-N343 PolarHBondContact O-N 2.93Å; T339-N343 PolarHBondContact O-ND2 2.95Å
340T87.9Confident89Confident105 Ų10546.9 Ų46.964%0.64428%0.282SS*.Hα-helixtrans-63.6-46.4177.8-52.20000111.4N338 N343 H344N338-T340 VanDerWaalsContact C-N 3.3Å; N338-T340 PolarHBondContact O-N 3.4Å; T340-N343 PolarHBondContact O-N 2.88Å; T340-H344 WeakPolarHBondContact O-CB 3.4Å; T340-H344 PolarHBondContact O-N 2.99Å
341S87.7Confident88.9Confident47 Ų4754.1 Ų54.133%0.32932%0.317SS..Hα-helixtrans-62.3-44.2179.3-550000112.1N338 H344 L345N338-S341 PolarHBondContact O-N 3.33Å; S341-H344 PolarHBondContact O-N 3.5Å; S341-L345 WeakPolarHBondContact O-CB 3.46Å; S341-L345 PolarHBondContact O-N 3.47Å
342V92.7Very high88.8Confident5 Ų556.2 Ų56.23%0.0333%0.334CS..Hα-helixtrans-64.4-44.6175.9176.80000111.2Q302 F330 P334 N338 H344 L345 I346Q302-V342 VanDerWaalsContact C-CG2 3.41Å; Q302-V342 WeakPolarHBondContact O-CG2 3.46Å; F330-V342 HydrophobicContact CD1-CG1 4.45Å; F330-V342 HydrophobicContact CE1-CG1 4.3Å; P334-V342 HydrophobicContact CB-CB 4.45Å; P334-V342 HydrophobicContact CB-CG2 4.17Å; P334-V342 HydrophobicContact CG-CB 4.19Å; P334-V342 HydrophobicContact CG-CG1 4.06Å; P334-V342 HydrophobicContact CG-CG2 4.25Å; N338-V342 WeakPolarHBondContact O-CG2 3.34Å; N338-V342 PolarHBondContact O-N 3.37Å; V342-H344 VanDerWaalsContact C-N 3.35Å; V342-H344 PolarHBondContact O-N 2.9Å; V342-L345 WeakPolarHBondContact O-CB 3.44Å; V342-L345 PolarHBondContact O-N 2.76Å; V342-I346 HydrophobicContact CG1-CD1 3.81Å; V342-I346 HydrophobicContact CG1-CG1 4.34Å; V342-I346 WeakPolarHBondContact O-CG1 3.39Å; V342-I346 PolarHBondContact O-N 3.09Å
343N93.6Very high88.9Confident80 Ų8057.6 Ų57.643%0.42835%0.349SS..Hα-helixtrans-63-41.6178.7-72.3-15.4000111.9T339 T340 L345 I346 N347T339-N343 WeakPolarHBondContact O-CB 3.46Å; T339-N343 PolarHBondContact O-N 2.93Å; T339-N343 PolarHBondContact O-ND2 2.95Å; T340-N343 PolarHBondContact O-N 2.88Å; N343-L345 VanDerWaalsContact C-N 3.31Å; N343-L345 PolarHBondContact O-N 3.16Å; N343-I346 PolarHBondContact O-N 2.92Å; N343-N347 PolarHBondContact O-N 3.01Å; N343-N347 PolarHBondContact O-ND2 3.09Å
344H93.2Very high89.4Confident106 Ų10655.6 Ų55.649%0.49134%0.336SS..Hα-helixtrans-59.7-43.8174.3178.660.8000111.5T340 S341 V342 N347 L348T340-H344 WeakPolarHBondContact O-CB 3.4Å; T340-H344 PolarHBondContact O-N 2.99Å; S341-H344 PolarHBondContact O-N 3.5Å; V342-H344 VanDerWaalsContact C-N 3.35Å; V342-H344 PolarHBondContact O-N 2.9Å; H344-N347 PolarHBondContact O-N 2.82Å; H344-L348 WeakPolarHBondContact O-CG 3.1Å; H344-L348 PolarHBondContact O-N 2.63Å
345L94.1Very high89.9Confident3 Ų359.3 Ų59.32%0.01635%0.349CS..Hα-helixtrans-64-42.4177.8-17557000112.5G300 L309 A313 F330 S341 V342 N343 N347 L348 L349G300-L345 WeakPolarHBondContact O-CD2 3.38Å; L309-L345 HydrophobicContact CB-CD2 4.37Å; L309-L345 HydrophobicContact CD2-CD2 3.66Å; L309-L345 HydrophobicContact CD2-CG 4.4Å; L309-L345 HydrophobicContact CG-CD2 3.88Å; L309-L345 HydrophobicContact CG-CG 4.47Å; A313-L345 HydrophobicContact CB-CD1 3.24Å; F330-L345 HydrophobicContact CE1-CD2 4.08Å; F330-L345 HydrophobicContact CZ-CD2 4.06Å; F330-L345 HydrophobicContact CZ-CG 4.11Å; S341-L345 WeakPolarHBondContact O-CB 3.46Å; S341-L345 PolarHBondContact O-N 3.47Å; V342-L345 WeakPolarHBondContact O-CB 3.44Å; V342-L345 PolarHBondContact O-N 2.76Å; N343-L345 VanDerWaalsContact C-N 3.31Å; N343-L345 PolarHBondContact O-N 3.16Å; L345-N347 VanDerWaalsContact C-N 3.33Å; L345-N347 PolarHBondContact O-N 2.92Å; L345-L348 PolarHBondContact O-N 2.91Å; L345-L349 HydrophobicContact CD1-CD1 4.45Å; L345-L349 HydrophobicContact CD1-CG 4.46Å; L345-L349 HydrophobicContact CG-CD1 4.15Å; L345-L349 VanDerWaalsContact O-CG 3.24Å; L345-L349 WeakPolarHBondContact O-CG 3.46Å; L345-L349 PolarHBondContact O-N 3.03Å
346I94.8Very high90.7Very high15 Ų1556.8 Ų56.88%0.07734%0.337CS..Hα-helixtrans-59.3-46175-68.6166.6000110.3F330 V342 N343 L348 L349 S350 V356 H358F330-I346 HydrophobicContact CE2-CG1 3.96Å; F330-I346 HydrophobicContact CZ-CG1 4Å; V342-I346 HydrophobicContact CG1-CD1 3.81Å; V342-I346 HydrophobicContact CG1-CG1 4.34Å; V342-I346 WeakPolarHBondContact O-CG1 3.39Å; V342-I346 PolarHBondContact O-N 3.09Å; N343-I346 PolarHBondContact O-N 2.92Å; I346-L348 PolarHBondContact O-N 2.62Å; I346-L349 PolarHBondContact O-N 3.42Å; I346-S350 PolarHBondContact O-N 2.96Å; I346-S350 PolarHBondContact O-OG 3.22Å; I346-V356 HydrophobicContact CG1-CG1 4.19Å; I346-V356 HydrophobicContact CG2-CB 4.45Å; I346-V356 HydrophobicContact CG2-CG1 4.12Å; I346-H358 HydrophobicContact CD1-CB 4.27Å
347N95.5Very high91.8Very high92 Ų9253 Ų5349%0.49231%0.31SS..Hα-helixtrans-58.5-48.2177.5-72.4-26.3000111.7N343 H344 L345 L349 S350 E351N343-N347 PolarHBondContact O-N 3.01Å; N343-N347 PolarHBondContact O-ND2 3.09Å; H344-N347 PolarHBondContact O-N 2.82Å; L345-N347 VanDerWaalsContact C-N 3.33Å; L345-N347 PolarHBondContact O-N 2.92Å; N347-L349 VanDerWaalsContact C-N 3.32Å; N347-L349 PolarHBondContact O-N 3.46Å; N347-S350 PolarHBondContact O-N 3.1Å; N347-E351 WeakPolarHBondContact O-CB 3.25Å; N347-E351 VanDerWaalsContact O-CG 3.31Å; N347-E351 WeakPolarHBondContact O-CG 3.33Å; N347-E351 PolarHBondContact O-N 2.83Å
348L94.9Very high92.7Very high34 Ų3455.1 Ų55.118%0.17831%0.31CS..Hα-helixtrans-59-42.2178.1-73.6179.4000112.7A313 N314 H344 L345 I346 E351 A352A313-L348 HydrophobicContact CB-CB 4.12Å; N314-L348 VanDerWaalsContact OD1-CD1 3.27Å; N314-L348 WeakPolarHBondContact OD1-CD1 3.33Å; H344-L348 WeakPolarHBondContact O-CG 3.1Å; H344-L348 PolarHBondContact O-N 2.63Å; L345-L348 PolarHBondContact O-N 2.91Å; I346-L348 PolarHBondContact O-N 2.62Å; L348-E351 PolarHBondContact O-N 2.84Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 3.46Å
349L96Very high92.7Very high0 Ų054.5 Ų54.50%032%0.316CS..Hα-helixtrans-65.8-43.5178.8-70.1168.6000111.7L309 A313 I322 V328 F330 L345 I346 N347 A352 G353 A354 V356L309-L349 HydrophobicContact CD1-CD1 4.35Å; L309-L349 HydrophobicContact CD1-CD2 4.44Å; L309-L349 HydrophobicContact CD2-CD1 4.38Å; L309-L349 HydrophobicContact CG-CD1 4.47Å; A313-L349 HydrophobicContact CB-CD2 3.57Å; A313-L349 HydrophobicContact CB-CG 3.86Å; I322-L349 HydrophobicContact CD1-CD2 3.58Å; I322-L349 HydrophobicContact CG1-CD2 3.81Å; V328-L349 HydrophobicContact CB-CD1 4.26Å; V328-L349 HydrophobicContact CG1-CD1 3.89Å; V328-L349 HydrophobicContact CG2-CD1 4.15Å; V328-L349 HydrophobicContact CG2-CD2 4.06Å; F330-L349 HydrophobicContact CE2-CD1 3.64Å; F330-L349 HydrophobicContact CZ-CD1 3.68Å; L345-L349 HydrophobicContact CD1-CD1 4.45Å; L345-L349 HydrophobicContact CD1-CG 4.46Å; L345-L349 HydrophobicContact CG-CD1 4.15Å; L345-L349 VanDerWaalsContact O-CG 3.24Å; L345-L349 WeakPolarHBondContact O-CG 3.46Å; L345-L349 PolarHBondContact O-N 3.03Å; I346-L349 PolarHBondContact O-N 3.42Å; N347-L349 VanDerWaalsContact C-N 3.32Å; N347-L349 PolarHBondContact O-N 3.46Å; L349-A352 PolarHBondContact O-N 3.07Å; L349-G353 PolarHBondContact O-N 3.24Å; L349-A354 WeakPolarHBondContact O-CB 3.23Å; L349-A354 PolarHBondContact O-N 3.47Å; L349-V356 HydrophobicContact CB-CG2 3.78Å
350S94.3Very high92.2Very high61 Ų6160.4 Ų60.443%0.42734%0.336SS..Hα-helixtrans-67.3-39.3176.2-64.60000112.4I346 N347 A352 G353I346-S350 PolarHBondContact O-N 2.96Å; I346-S350 PolarHBondContact O-OG 3.22Å; N347-S350 PolarHBondContact O-N 3.1Å; S350-A352 VanDerWaalsContact C-N 3.29Å; S350-A352 PolarHBondContact O-N 2.9Å; S350-G353 WeakPolarHBondContact O-CA 3.27Å; S350-G353 PolarHBondContact O-N 3.17Å
351E93.9Very high91.5Very high157 Ų15761.8 Ų61.873%0.73434%0.344SS*.Hα-helixtrans-63.5-34.6174-76.8177.2-170.900112.1N347 L348 G353N347-E351 WeakPolarHBondContact O-CB 3.25Å; N347-E351 VanDerWaalsContact O-CG 3.31Å; N347-E351 WeakPolarHBondContact O-CG 3.33Å; N347-E351 PolarHBondContact O-N 2.83Å; L348-E351 PolarHBondContact O-N 2.84Å; E351-G353 PolarHBondContact O-N 2.63Å
352A92.2Very high91.2Very high43 Ų4362.5 Ų62.536%0.35534%0.344SS..THydrogen-bonded Turntrans-74-3.1173.100000113.7I322 L348 L349 S350I322-A352 HydrophobicContact CB-CB 3.87Å; I322-A352 HydrophobicContact CG1-CB 4.39Å; I322-A352 HydrophobicContact CG2-CB 3.6Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 3.46Å; L349-A352 PolarHBondContact O-N 3.07Å; S350-A352 VanDerWaalsContact C-N 3.29Å; S350-A352 PolarHBondContact O-N 2.9Å
353G92.1Very high90.8Very high38 Ų3864.7 Ų64.739%0.39236%0.356SS..THydrogen-bonded Turntrans95.50.9174.700000115.3P324 L349 S350 E351P324-G353 CarbonylContact C-O 3.6Å; L349-G353 PolarHBondContact O-N 3.24Å; S350-G353 WeakPolarHBondContact O-CA 3.27Å; S350-G353 PolarHBondContact O-N 3.17Å; E351-G353 PolarHBondContact O-N 2.63Å
354A96.3Very high90.3Very high6 Ų661 Ų615%0.0534%0.336CS..  trans-75.1144.6178.600000112.3I322 D326 V328 L349I322-A354 HydrophobicContact CG2-CB 3.77Å; D326-A354 HydrophobicContact CB-CB 4.07Å; D326-A354 WeakPolarHBondContact O-CA 3.13Å; V328-A354 HydrophobicContact CG2-CB 3.99Å; L349-A354 WeakPolarHBondContact O-CB 3.23Å; L349-A354 PolarHBondContact O-N 3.47Å
355E96.5Very high90Very high126 Ų12658.7 Ų58.759%0.58933%0.325SS*.EExtended strand (participates in β ladder)trans-76.3130.4166.1179.560.7-163.200109.3D326 T327 V328D326-E355 PolarHBondContact O-N 3.23Å; T327-E355 CarbonylContact C-O 3.52Å; T327-E355 WeakPolarHBondContact CA-O 3.44Å; T327-E355 HydrophobicContact CG2-CB 4.48Å; T327-E355 HydrophobicContact CG2-CG 4.47Å; V328-E355 PolarHBondContact N-O 3.27Å
356V95.7Very high89.8Confident16 Ų1659 Ų5910%0.09733%0.327CS..EExtended strand (participates in β ladder)trans-116.6113.1-174.7-172.70000111F330 I346 L349F330-V356 HydrophobicContact CD2-CG1 3.69Å; F330-V356 HydrophobicContact CE2-CG1 3.58Å; I346-V356 HydrophobicContact CG1-CG1 4.19Å; I346-V356 HydrophobicContact CG2-CB 4.45Å; I346-V356 HydrophobicContact CG2-CG1 4.12Å; L349-V356 HydrophobicContact CB-CG2 3.78Å
357I94.8Very high89.7Confident25 Ų2559.8 Ų59.813%0.12833%0.334CS..EExtended strand (participates in β ladder)trans-96.3106.6176.1-53.5-177.2000108.7I219 I223 T327 V328 I329 F330 N362 I364I219-I357 HydrophobicContact CD1-CG2 4.41Å; I219-I357 HydrophobicContact CG2-CD1 3.39Å; I223-I357 HydrophobicContact CD1-CD1 4.39Å; T327-I357 HydrophobicContact CG2-CD1 3.62Å; T327-I357 HydrophobicContact CG2-CG1 3.85Å; V328-I357 PolarHBondContact O-N 2.74Å; I329-I357 HydrophobicContact CG1-CB 4.33Å; I329-I357 HydrophobicContact CG1-CD1 4.35Å; F330-I357 PolarHBondContact N-O 3.47Å; I357-N362 HydrophobicContact CG2-CB 3.98Å; I357-I364 HydrophobicContact CG2-CD1 4.12Å; I357-I364 WeakPolarHBondContact O-CD1 3.33Å
358H92Very high89.6Confident83 Ų8355.7 Ų55.738%0.38431%0.313SS..  trans-139.7171.6179.171.3102.9000111.8F330 I346 N362F330-H358 HydrophobicContact CB-CB 3.97Å; F330-H358 HydrophobicContact CD2-CB 4.29Å; F330-H358 HydrophobicContact CG-CB 4.36Å; I346-H358 HydrophobicContact CD1-CB 4.27Å; H358-N362 PolarHBondContact O-ND2 3.19Å
359G82.5Confident89.6Confident38 Ų3855.5 Ų55.539%0.39231%0.311SS..SBendtrans82.5169.4168.800000116.5V361 N362G359-V361 VanDerWaalsContact C-N 3.29Å; G359-V361 PolarHBondContact O-N 3.05Å; G359-N362 PolarHBondContact O-N 2.74Å
360K75.8Confident89.7Confident188 Ų18855.5 Ų55.582%0.81731%0.312SS*.G310 helixtrans-65.8-26.6-170.3-66.6-177.4179.1178.90114.1N362 N363K360-N362 PolarHBondContact O-N 2.89Å; K360-N363 PolarHBondContact O-N 3.27Å
361V73.5Confident89.9Confident134 Ų13452.8 Ų52.881%0.81229%0.292SS*.G310 helixtrans-62.1-33-176.8-178.90000111.5G359G359-V361 VanDerWaalsContact C-N 3.29Å; G359-V361 PolarHBondContact O-N 3.05Å
362N80.5Confident90.1Very high63 Ų6347 Ų4734%0.33727%0.266SS..G310 helixtrans-85.5-5.7-173.9-67-45000114.2I219 I357 H358 G359 K360 I364I219-N362 HydrophobicContact CD1-CB 4.5Å; I357-N362 HydrophobicContact CG2-CB 3.98Å; H358-N362 PolarHBondContact O-ND2 3.19Å; G359-N362 PolarHBondContact O-N 2.74Å; K360-N362 PolarHBondContact O-N 2.89Å; N362-I364 HydrophobicContact CB-CD1 4.35Å; N362-I364 HydrophobicContact CB-CG1 4.34Å; N362-I364 HydrophobicContact CB-CG2 4.03Å; N362-I364 PolarHBondContact O-N 3.11Å; N362-I364 VanDerWaalsContact O-N 3.16Å
363N84.7Confident90.4Very high51 Ų5149.7 Ų49.727%0.27327%0.271SS..THydrogen-bonded Turntrans5037.1-178.1-61.3-45.6000114.1K207 I212 S215 K360K207-N363 PolarHBondContact NZ-OD1 3.48Å; I212-N363 HydrophobicContact CD1-CB 4.49Å; I212-N363 WeakPolarHBondContact CD1-O 3.2Å; S215-N363 WeakPolarHBondContact CB-O 3.38Å; K360-N363 PolarHBondContact O-N 3.27Å
364I83.5Confident90.7Very high2 Ų247.9 Ų47.91%0.0125%0.252CS..  trans-93.11.7178.858.4-178.9000113.4I212 I219 R238 I329 F330 S331 I357 N362I212-I364 VanDerWaalsContact CG2-C 3.47Å; I219-I364 HydrophobicContact CD1-CG2 3.32Å; R238-I364 PolarHBondContact NH1-O 2.91Å; I329-I364 HydrophobicContact CG2-CD1 4.16Å; I329-I364 HydrophobicContact CG2-CG2 4.46Å; F330-I364 WeakPolarHBondContact O-CD1 3.41Å; S331-I364 PolarHBondContact OG-O 3.11Å; I357-I364 HydrophobicContact CG2-CD1 4.12Å; I357-I364 WeakPolarHBondContact O-CD1 3.33Å; N362-I364 HydrophobicContact CB-CD1 4.35Å; N362-I364 HydrophobicContact CB-CG1 4.34Å; N362-I364 HydrophobicContact CB-CG2 4.03Å; N362-I364 PolarHBondContact O-N 3.11Å; N362-I364 VanDerWaalsContact O-N 3.16Å
365H86.7Confident90.9Very high58 Ų5847.7 Ų47.727%0.26925%0.25SC..  trans-150.8146.8179.317879.5000109.7I212I212-H365 WeakPolarHBondContact CD1-O 3.3Å
366T90.3Very high91Very high10 Ų1044 Ų446%0.06123%0.232CC..  trans-136.1155166.8-170.60000107.6T206 K207 E209 I212T206-T366 WeakPolarHBondContact CG2-OG1 3.33Å; K207-T366 PolarHBondContact N-OG1 3.42Å; K207-T366 WeakPolarHBondContact O-CB 3.39Å; K207-T366 WeakPolarHBondContact O-CG2 3.47Å; K207-T366 PolarHBondContact O-OG1 2.76Å; E209-T366 HydrophobicContact CG-CG2 4.4Å; E209-T366 WeakPolarHBondContact OE1-CG2 3.38Å; I212-T366 HydrophobicContact CD1-CG2 4.43Å; I212-T366 HydrophobicContact CG1-CG2 3.74Å
367S91.4Very high91.1Very high31 Ų3146 Ų4622%0.21724%0.242CC..  trans-68.6152.1178.4-170.70000111K167 N199 T206 H369K167-S367 WeakPolarHBondContact CD-O 3.37Å; K167-S367 PolarHBondContact NZ-O 3.06Å; N199-S367 WeakPolarHBondContact ND2-CB 3.44Å; N199-S367 PolarHBondContact ND2-OG 3.3Å; T206-S367 WeakPolarHBondContact CG2-O 3.34Å; S367-H369 VanDerWaalsContact C-N 3.29Å; S367-H369 PolarHBondContact OG-N 2.8Å; S367-H369 VanDerWaalsContact OG-N 3.15Å
368G93.1Very high91.3Very high5 Ų544.8 Ų44.85%0.05224%0.235CC..SBendtrans-74.2-20.8165.500000113.1H143 F166 K167H143-G368 PolarHBondContact CE1-O 3.03Å; H143-G368 WeakPolarHBondContact ND1-CA 3.42Å; H143-G368 PolarHBondContact ND1-O 2.95Å; F166-G368 CarbonylContact C-O 3.54Å; K167-G368 WeakPolarHBondContact CB-O 3.41Å; K167-G368 WeakPolarHBondContact CG-O 3.34Å
369H96.3Very high91.6Very high30 Ų3040.9 Ų40.914%0.13922%0.218CC..SBendtrans-100.7143.4-170.7-49-91.2000112.1H143 D165 F166 D196 T198 N199 T206 S367 H391H143-H369 AromaticContact CE1-CE1 3.73Å; H143-H369 AromaticContact CE1-ND1 3.92Å; H143-H369 AromaticContact CE1-NE2 3.97Å; D165-H369 IonicContact OD2-CE1 2.81Å; D165-H369 PolarHBondContact OD2-CE1 3.36Å; D165-H369 IonicContact OD2-ND1 2.72Å; F166-H369 CarbonylContact O-C 3.31Å; F166-H369 WeakPolarHBondContact O-CA 3.31Å; D196-H369 IonicContact OD1-ND1 3.4Å; D196-H369 IonicContact OD2-CE1 3.78Å; D196-H369 IonicContact OD2-CG 3.48Å; D196-H369 IonicContact OD2-ND1 2.71Å; D196-H369 PolarHBondContact OD2-ND1 2.86Å; T198-H369 HydrophobicContact CG2-CB 4.35Å; T198-H369 PolarHBondContact OG1-ND1 3.49Å; N199-H369 HydrophobicContact CB-CB 4.15Å; N199-H369 PolarHBondContact ND2-O 2.88Å; T206-H369 PolarHBondContact OG1-O 2.74Å; S367-H369 VanDerWaalsContact C-N 3.29Å; S367-H369 PolarHBondContact OG-N 2.8Å; S367-H369 VanDerWaalsContact OG-N 3.15Å; H369-H391 AromaticContact CE1-CE1 3.85Å
370G97.8Very high92.4Very high1 Ų146.7 Ų46.71%0.0123%0.228CC..  trans-73.2136.2-179.800000111.2F166 N199 E374F166-G370 PolarHBondContact O-N 2.98Å; N199-G370 VanDerWaalsContact CB-O 3.3Å; N199-G370 WeakPolarHBondContact CB-O 3.49Å; G370-E374 WeakPolarHBondContact CA-OE1 3.27Å
371S98.2Very high93.5Very high3 Ų339.1 Ų39.12%0.02120%0.196CC..  trans-82.2-177.5176.1-63.20000110.9V202 T204 T206 Q373 E374 Q375V202-S371 WeakPolarHBondContact CG1-OG 3.32Å; V202-S371 WeakPolarHBondContact O-CB 3.49Å; T204-S371 WeakPolarHBondContact O-CB 3.41Å; T206-S371 PolarHBondContact OG1-N 3.39Å; T206-S371 PolarHBondContact OG1-OG 3.14Å; S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 3.16Å; S371-Q373 VanDerWaalsContact O-N 3.1Å; S371-E374 PolarHBondContact N-OE2 3.45Å; S371-E374 WeakPolarHBondContact O-CB 3.48Å; S371-E374 PolarHBondContact O-N 3.09Å; S371-Q375 PolarHBondContact O-N 3.3Å
372Q98.7Very high94.7Very high37 Ų3732.8 Ų32.817%0.17316%0.157CC..Hα-helixtrans-52.5-40-172.2-72.5-175.62.400114.8A200 V202 E374 Q375 K376 L403A200-Q372 WeakPolarHBondContact O-CG 3.43Å; A200-Q372 PolarHBondContact O-NE2 3.35Å; V202-Q372 VanDerWaalsContact O-CG 3.29Å; V202-Q372 WeakPolarHBondContact O-CG 3.28Å; V202-Q372 PolarHBondContact O-N 3.22Å; Q372-E374 VanDerWaalsContact C-N 3.28Å; Q372-E374 PolarHBondContact O-N 2.95Å; Q372-Q375 PolarHBondContact O-N 3.49Å; Q372-K376 WeakPolarHBondContact O-CB 3.27Å; Q372-K376 VanDerWaalsContact O-CG 3.27Å; Q372-K376 WeakPolarHBondContact O-CG 3.42Å; Q372-K376 PolarHBondContact O-N 2.95Å; Q372-L403 HydrophobicContact CB-CD1 4.08Å; Q372-L403 HydrophobicContact CB-CD2 4.27Å; Q372-L403 HydrophobicContact CG-CD1 3.76Å; Q372-L403 HydrophobicContact CG-CD2 3.94Å
373Q98.5Very high95.5Very high99 Ų9935.7 Ų35.746%0.46317%0.167SC..Hα-helixtrans-66.3-34.3-179.6-59.3-53.2-43.800112P203 F205 S371 L377P203-Q373 PolarHBondContact O-NE2 3.16Å; F205-Q373 HydrophobicContact CD2-CB 4.02Å; S371-Q373 VanDerWaalsContact C-N 3.29Å; S371-Q373 PolarHBondContact O-N 3.16Å; S371-Q373 VanDerWaalsContact O-N 3.1Å; Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 PolarHBondContact O-N 3.02Å
374E98.7Very high96.2Very high0 Ų033.8 Ų33.80%016%0.157CC..Hα-helixtrans-76.2-41.7-179.9-64.5160.680.300110.5K167 F168 F205 T206 G370 S371 Q372 K376 L377 M378K167-E374 WeakPolarHBondContact CB-OE1 3.25Å; F168-E374 HydrophobicContact CB-CG 4.12Å; F168-E374 HydrophobicContact CD2-CB 3.78Å; F168-E374 HydrophobicContact CD2-CG 4.19Å; F168-E374 VanDerWaalsContact CE2-O 3.32Å; F168-E374 WeakPolarHBondContact CE2-O 3.25Å; F168-E374 PolarHBondContact N-OE1 2.91Å; F205-E374 HydrophobicContact CD2-CG 3.74Å; F205-E374 HydrophobicContact CE1-CG 4.19Å; F205-E374 HydrophobicContact CE2-CG 3.37Å; F205-E374 HydrophobicContact CG-CG 4.29Å; F205-E374 HydrophobicContact CZ-CG 3.61Å; T206-E374 VanDerWaalsContact CB-OE2 3.23Å; T206-E374 WeakPolarHBondContact CB-OE2 3.31Å; T206-E374 PolarHBondContact N-OE2 3.48Å; T206-E374 PolarHBondContact OG1-OE2 2.94Å; T206-E374 VanDerWaalsContact OG1-OE2 3.1Å; G370-E374 WeakPolarHBondContact CA-OE1 3.27Å; S371-E374 PolarHBondContact N-OE2 3.45Å; S371-E374 WeakPolarHBondContact O-CB 3.48Å; S371-E374 PolarHBondContact O-N 3.09Å; Q372-E374 VanDerWaalsContact C-N 3.28Å; Q372-E374 PolarHBondContact O-N 2.95Å; E374-K376 PolarHBondContact O-N 3.01Å; E374-L377 WeakPolarHBondContact O-CB 3.44Å; E374-L377 PolarHBondContact O-N 3.03Å; E374-L377 VanDerWaalsContact O-N 3.16Å; E374-M378 PolarHBondContact O-N 2.85Å
375Q98.9Very high96.9Very high1 Ų137.6 Ų37.61%0.00517%0.174CC..Hα-helixtrans-59.1-45.9171.1-73.2169.6-21.200111.6F166 D196 A200 S371 Q372 L377 M378 L379 L403F166-Q375 HydrophobicContact CZ-CG 4.46Å; D196-Q375 PolarHBondContact O-NE2 2.78Å; D196-Q375 VanDerWaalsContact O-NE2 3.08Å; A200-Q375 VanDerWaalsContact CA-OE1 3.23Å; S371-Q375 PolarHBondContact O-N 3.3Å; Q372-Q375 PolarHBondContact O-N 3.49Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.31Å; Q375-M378 WeakPolarHBondContact O-CB 3.36Å; Q375-M378 PolarHBondContact O-N 3.15Å; Q375-L379 WeakPolarHBondContact O-CD1 3.35Å; Q375-L379 WeakPolarHBondContact O-CG 3.43Å; Q375-L379 PolarHBondContact O-N 2.78Å; Q375-L403 HydrophobicContact CB-CD1 4.11Å
376K98.8Very high97.5Very high49 Ų4935.1 Ų35.121%0.21316%0.162CC..Hα-helixtrans-61.9-38.4173.5-71.1-176.5-169.1-1540112.1Q372 E374 L379 R380 L403 D406 T407Q372-K376 WeakPolarHBondContact O-CB 3.27Å; Q372-K376 VanDerWaalsContact O-CG 3.27Å; Q372-K376 WeakPolarHBondContact O-CG 3.42Å; Q372-K376 PolarHBondContact O-N 2.95Å; E374-K376 PolarHBondContact O-N 3.01Å; K376-L379 PolarHBondContact O-N 3.1Å; K376-R380 WeakPolarHBondContact O-CB 3.47Å; K376-R380 VanDerWaalsContact O-CG 3.24Å; K376-R380 WeakPolarHBondContact O-CG 3.46Å; K376-R380 PolarHBondContact O-N 3.1Å; K376-L403 HydrophobicContact CG-CB 4.19Å; K376-D406 IonicContact NZ-OD2 3.87Å; K376-D406 PolarHBondContact NZ-OD2 2.88Å; K376-T407 HydrophobicContact CB-CG2 3.94Å; K376-T407 HydrophobicContact CD-CG2 4.41Å; K376-T407 HydrophobicContact CG-CG2 3.85Å
377L98.7Very high97.9Very high57 Ų5734.7 Ų34.730%0.29816%0.159SC..Hα-helixtrans-61.8-46.1174.5177.257.7000111.2F168 F170 Q373 E374 Q375 L379 R380 L381F168-L377 HydrophobicContact CD1-CD2 4.46Å; F168-L377 HydrophobicContact CD2-CB 4.17Å; F168-L377 HydrophobicContact CD2-CD2 3.64Å; F168-L377 HydrophobicContact CD2-CG 4.09Å; F168-L377 HydrophobicContact CE2-CB 3.89Å; F168-L377 HydrophobicContact CE2-CD2 3.78Å; F168-L377 HydrophobicContact CE2-CG 3.73Å; F168-L377 HydrophobicContact CG-CD2 4Å; F168-L377 HydrophobicContact CZ-CD2 4.25Å; F168-L377 HydrophobicContact CZ-CG 4.2Å; F170-L377 HydrophobicContact CZ-CD2 4.31Å; Q373-L377 WeakPolarHBondContact O-CB 3.38Å; Q373-L377 PolarHBondContact O-N 3.02Å; E374-L377 WeakPolarHBondContact O-CB 3.44Å; E374-L377 PolarHBondContact O-N 3.03Å; E374-L377 VanDerWaalsContact O-N 3.16Å; Q375-L377 VanDerWaalsContact C-N 3.33Å; Q375-L377 PolarHBondContact O-N 3.31Å; L377-L379 PolarHBondContact O-N 3.01Å; L377-R380 PolarHBondContact O-N 3.13Å; L377-L381 HydrophobicContact CD1-CD1 4.06Å; L377-L381 HydrophobicContact CD1-CG 4.1Å; L377-L381 HydrophobicContact CG-CD1 4Å; L377-L381 HydrophobicContact CG-CG 4.49Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 2.85Å
378M98.8Very high98.2Very high0 Ų033.3 Ų33.30%015%0.15CC..Hα-helixtrans-58.7-48176.2-175.961.878.900111.5T163 F166 F168 M182 L193 E374 Q375 R380 L381 M382T163-M378 HydrophobicContact CG2-CE 4.05Å; T163-M378 HydrophobicContact CG2-CG 3.89Å; T163-M378 HydrophobicContact CG2-SD 4.1Å; F166-M378 HydrophobicContact CD1-CE 4.35Å; F166-M378 HydrophobicContact CD2-CE 3.62Å; F166-M378 HydrophobicContact CE1-CE 4.34Å; F166-M378 HydrophobicContact CE1-CG 4.49Å; F166-M378 HydrophobicContact CE2-CB 3.86Å; F166-M378 HydrophobicContact CE2-CE 3.62Å; F166-M378 HydrophobicContact CE2-CG 4.26Å; F166-M378 HydrophobicContact CG-CE 4.01Å; F166-M378 HydrophobicContact CZ-CB 3.71Å; F166-M378 HydrophobicContact CZ-CE 3.99Å; F166-M378 HydrophobicContact CZ-CG 3.92Å; F168-M378 HydrophobicContact CE2-CB 4.16Å; F168-M378 HydrophobicContact CE2-CE 4.39Å; F168-M378 HydrophobicContact CZ-CB 4.44Å; F168-M378 HydrophobicContact CZ-CE 3.81Å; F168-M378 HydrophobicContact CZ-SD 4.46Å; M182-M378 HydrophobicContact CE-CE 4.17Å; M182-M378 HydrophobicContact SD-CE 4.05Å; M182-M378 HydrophobicContact SD-SD 4.31Å; L193-M378 HydrophobicContact CD2-CG 4.48Å; E374-M378 PolarHBondContact O-N 2.85Å; Q375-M378 WeakPolarHBondContact O-CB 3.36Å; Q375-M378 PolarHBondContact O-N 3.15Å; M378-R380 VanDerWaalsContact C-N 3.31Å; M378-R380 PolarHBondContact O-N 3.27Å; M378-L381 PolarHBondContact O-N 3.02Å; M378-M382 HydrophobicContact CG-CG 4.33Å; M378-M382 WeakPolarHBondContact O-CB 3.35Å; M378-M382 WeakPolarHBondContact O-CG 3.26Å; M378-M382 PolarHBondContact O-N 3.03Å; M378-M382 HydrophobicContact SD-CE 3.57Å; M378-M382 VanDerWaalsContact SD-CE 3.57Å; M378-M382 HydrophobicContact SD-CG 3.83Å
379L98.8Very high98.5Very high2 Ų233.1 Ų33.11%0.0115%0.148CC..Hα-helixtrans-56.8-42.3176.4-75.4158.8000112.4L193 Q375 K376 L377 K383 P384 F387 L403 A404 T407L193-L379 HydrophobicContact CD2-CD2 4.15Å; Q375-L379 WeakPolarHBondContact O-CD1 3.35Å; Q375-L379 WeakPolarHBondContact O-CG 3.43Å; Q375-L379 PolarHBondContact O-N 2.78Å; K376-L379 PolarHBondContact O-N 3.1Å; L377-L379 PolarHBondContact O-N 3.01Å; L379-K383 PolarHBondContact O-N 2.88Å; L379-P384 HydrophobicContact CD2-CG 4.3Å; L379-F387 HydrophobicContact CD2-CD2 3.79Å; L379-F387 HydrophobicContact CD2-CE2 3.79Å; L379-F387 HydrophobicContact CD2-CG 4.47Å; L379-F387 HydrophobicContact CD2-CZ 4.47Å; L379-L403 HydrophobicContact CD1-CB 4.26Å; L379-A404 HydrophobicContact CD1-CB 4.13Å; L379-A404 HydrophobicContact CD2-CB 3.75Å; L379-T407 HydrophobicContact CB-CG2 4.22Å; L379-T407 HydrophobicContact CD1-CG2 4.33Å
380R98.4Very high98.6Very high160 Ų16031.8 Ų31.860%0.60414%0.141SC*.Hα-helixtrans-74.7-28.9179.8-67.7-63.7-65178.4-2.9113.7K376 L377 M378 K383 T407K376-R380 WeakPolarHBondContact O-CB 3.47Å; K376-R380 VanDerWaalsContact O-CG 3.24Å; K376-R380 WeakPolarHBondContact O-CG 3.46Å; K376-R380 PolarHBondContact O-N 3.1Å; L377-R380 PolarHBondContact O-N 3.13Å; M378-R380 VanDerWaalsContact C-N 3.31Å; M378-R380 PolarHBondContact O-N 3.27Å; R380-K383 WeakPolarHBondContact O-CG 3.46Å; R380-T407 HydrophobicContact CG-CG2 4.1Å; R380-T407 PolarHBondContact NH1-O 2.95Å; R380-T407 VanDerWaalsContact NH1-O 3.1Å
381L98.5Very high98.6Very high29 Ų2931.7 Ų31.715%0.15214%0.141CC..Hα-helixtrans-71.1-47.6172-72.3168.9000110.7F168 L179 M182 A183 G186 L377 M378F168-L381 HydrophobicContact CZ-CD1 3.99Å; L179-L381 HydrophobicContact CD2-CD1 4.29Å; M182-L381 HydrophobicContact CB-CB 4.33Å; M182-L381 HydrophobicContact CB-CD1 4.19Å; M182-L381 HydrophobicContact SD-CD1 4.18Å; A183-L381 HydrophobicContact CB-CD2 3.94Å; G186-L381 WeakPolarHBondContact CA-O 3.29Å; L377-L381 HydrophobicContact CD1-CD1 4.06Å; L377-L381 HydrophobicContact CD1-CG 4.1Å; L377-L381 HydrophobicContact CG-CD1 4Å; L377-L381 HydrophobicContact CG-CG 4.49Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 2.85Å; M378-L381 PolarHBondContact O-N 3.02Å
382M98.4Very high98.6Very high0 Ų031.6 Ų31.60%014%0.14CC..Hα-helixtrans-79.9-29.2-173.3-65.9-61.4179.700114.1F139 V161 M182 L185 G186 V190 L193 M378F139-M382 HydrophobicContact CE1-CE 4.26Å; F139-M382 HydrophobicContact CE2-CE 3.83Å; F139-M382 HydrophobicContact CZ-CE 3.68Å; V161-M382 HydrophobicContact CG1-CE 4.07Å; V161-M382 HydrophobicContact CG1-SD 4.17Å; M182-M382 HydrophobicContact CB-CE 3.9Å; M182-M382 HydrophobicContact CG-CE 3.85Å; L185-M382 HydrophobicContact CB-SD 4.31Å; G186-M382 VanDerWaalsContact CA-O 3.3Å; G186-M382 WeakPolarHBondContact CA-O 3.5Å; V190-M382 WeakPolarHBondContact CB-O 3.29Å; V190-M382 HydrophobicContact CG2-CB 4.36Å; V190-M382 WeakPolarHBondContact CG2-O 3.47Å; V190-M382 HydrophobicContact CG2-SD 4.31Å; L193-M382 HydrophobicContact CD1-CB 4.46Å; L193-M382 HydrophobicContact CD1-CG 4.1Å; L193-M382 HydrophobicContact CD2-CB 4.09Å; L193-M382 HydrophobicContact CD2-CG 4.29Å; M378-M382 HydrophobicContact CG-CG 4.33Å; M378-M382 WeakPolarHBondContact O-CB 3.35Å; M378-M382 WeakPolarHBondContact O-CG 3.26Å; M378-M382 PolarHBondContact O-N 3.03Å; M378-M382 HydrophobicContact SD-CE 3.57Å; M378-M382 VanDerWaalsContact SD-CE 3.57Å; M378-M382 HydrophobicContact SD-CG 3.83Å
383K98.2Very high98.5Very high125 Ų12532.6 Ų32.654%0.54315%0.145SC..  trans46.953.5-179.1-56.2173.1-172.1162.40113L379 R380L379-K383 PolarHBondContact O-N 2.88Å; R380-K383 WeakPolarHBondContact O-CG 3.46Å
384P98.7Very high98.5Very high10 Ų1033.9 Ų33.97%0.06515%0.149CC..  trans-70.3144.6-171.631.7-36.7000112.2V190 L193 L379 Y386 V409V190-P384 HydrophobicContact CG1-CB 4.03Å; V190-P384 WeakPolarHBondContact O-CA 3.39Å; L193-P384 HydrophobicContact CB-CB 3.57Å; L193-P384 HydrophobicContact CB-CG 3.86Å; L193-P384 HydrophobicContact CD2-CG 4.07Å; L379-P384 HydrophobicContact CD2-CG 4.3Å; P384-Y386 WeakPolarHBondContact CB-O 3.39Å; P384-V409 HydrophobicContact CG-CG2 4.09Å
385K98.6Very high98.5Very high82 Ų8239.5 Ų39.536%0.35717%0.17SC..SBendtrans-71.4-43.2171.2-178.5171.5179.7171.10111.8V190 L191 N413 A427V190-K385 PolarHBondContact O-N 2.79Å; L191-K385 HydrophobicContact CD1-CD 4.38Å; L191-K385 WeakPolarHBondContact O-CB 3.41Å; K385-N413 WeakPolarHBondContact O-CB 3.47Å; K385-N413 PolarHBondContact O-ND2 2.91Å; K385-A427 PolarHBondContact NZ-O 2.99Å
386Y98.9Very high98.4Very high7 Ų740 Ų403%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-121.7148.5175.8-55.8-68.9000111L191 C192 L193 P384 N413 F415 L425 S429 A430L191-Y386 HydrophobicContact CD1-CD2 3.86Å; L191-Y386 HydrophobicContact CD1-CE2 3.75Å; L191-Y386 HydrophobicContact CG-CD2 4.3Å; L191-Y386 VanDerWaalsContact O-CD2 3.31Å; L191-Y386 WeakPolarHBondContact O-CD2 3.42Å; L191-Y386 PolarHBondContact O-N 3.48Å; C192-Y386 VanDerWaalsContact CA-O 3.28Å; C192-Y386 WeakPolarHBondContact CA-O 3.33Å; L193-Y386 PolarHBondContact N-O 2.66Å; P384-Y386 WeakPolarHBondContact CB-O 3.39Å; Y386-N413 WeakPolarHBondContact CA-O 3.4Å; Y386-N413 HydrophobicContact CD1-CB 3.64Å; Y386-N413 HydrophobicContact CE1-CB 4.16Å; Y386-N413 WeakPolarHBondContact CE1-OD1 3.21Å; Y386-F415 AromaticContact CD1-CE2 3.84Å; Y386-F415 HydrophobicContact CD1-CE2 3.84Å; Y386-F415 HydrophobicContact CG-CE2 4.41Å; Y386-L425 HydrophobicContact CD2-CD2 3.63Å; Y386-L425 HydrophobicContact CE2-CD2 4.09Å; Y386-L425 HydrophobicContact CG-CD2 4Å; Y386-S429 WeakPolarHBondContact OH-CA 3.39Å; Y386-S429 PolarHBondContact OH-N 2.66Å; Y386-S429 VanDerWaalsContact OH-N 3.16Å; Y386-S429 PolarHBondContact OH-O 2.78Å; Y386-A430 HydrophobicContact CD1-CB 3.64Å; Y386-A430 HydrophobicContact CD2-CB 4.28Å; Y386-A430 HydrophobicContact CE1-CB 3.37Å; Y386-A430 HydrophobicContact CE2-CB 4.02Å; Y386-A430 HydrophobicContact CG-CB 4.09Å; Y386-A430 PolarHBondContact OH-N 3.2Å
387F98.9Very high98.4Very high0 Ų037.8 Ų37.80%016%0.163CC..EExtended strand (participates in β ladder)trans-128.1133-178.1-179.6-107.6000111.3L193 L379 P389 H400 A404 V409 N413 C414 F415L193-F387 HydrophobicContact CB-CD2 4.3Å; L193-F387 HydrophobicContact CD2-CD2 4.26Å; L193-F387 HydrophobicContact CD2-CE2 4.25Å; L193-F387 HydrophobicContact CG-CD2 4.4Å; L193-F387 HydrophobicContact CG-CE2 4.48Å; L379-F387 HydrophobicContact CD2-CD2 3.79Å; L379-F387 HydrophobicContact CD2-CE2 3.79Å; L379-F387 HydrophobicContact CD2-CG 4.47Å; L379-F387 HydrophobicContact CD2-CZ 4.47Å; F387-P389 HydrophobicContact CE1-CB 3.85Å; F387-P389 HydrophobicContact CE1-CG 4.24Å; F387-P389 HydrophobicContact CZ-CB 4.14Å; F387-H400 AromaticContact CZ-CD2 3.73Å; F387-H400 AromaticContact CZ-CE1 3.86Å; F387-H400 AromaticContact CZ-CG 3.83Å; F387-H400 AromaticContact CZ-ND1 3.89Å; F387-H400 AromaticContact CZ-NE2 3.75Å; F387-A404 HydrophobicContact CB-CB 4.26Å; F387-A404 HydrophobicContact CD1-CB 3.47Å; F387-A404 VanDerWaalsContact CD1-CB 3.47Å; F387-A404 HydrophobicContact CD2-CB 4.31Å; F387-A404 HydrophobicContact CE1-CB 3.8Å; F387-A404 HydrophobicContact CG-CB 3.74Å; F387-A404 HydrophobicContact CZ-CB 4.35Å; F387-V409 HydrophobicContact CB-CG1 4.12Å; F387-N413 PolarHBondContact N-O 2.8Å; F387-C414 WeakPolarHBondContact O-CA 3.49Å; F387-F415 PolarHBondContact O-N 3.42Å
388V98.9Very high98.4Very high3 Ų341.3 Ų41.32%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-126107.5173.5178.50000107L193 L194 S195 I390 F415 M417 L423L193-V388 PolarHBondContact O-N 2.6Å; L194-V388 VanDerWaalsContact CA-O 3.27Å; L194-V388 WeakPolarHBondContact CA-O 3.38Å; L194-V388 HydrophobicContact CG-CB 4.29Å; S195-V388 PolarHBondContact N-O 3.21Å; V388-I390 HydrophobicContact CG1-CG2 4.05Å; V388-I390 PolarHBondContact O-N 3.29Å; V388-F415 HydrophobicContact CG2-CB 4.28Å; V388-M417 HydrophobicContact CG1-SD 4.01Å; V388-M417 HydrophobicContact CG2-SD 4.17Å; V388-L423 HydrophobicContact CG2-CD2 3.68Å
389P98.9Very high98.4Very high0 Ų044.1 Ų44.10%019%0.19CC..EExtended strand (participates in β ladder)trans-66.1135.8170.431.5-36.9000109.2S197 F387 L397 H400 T401 F415 I416S197-P389 WeakPolarHBondContact OG-CB 3.35Å; F387-P389 HydrophobicContact CE1-CB 3.85Å; F387-P389 HydrophobicContact CE1-CG 4.24Å; F387-P389 HydrophobicContact CZ-CB 4.14Å; P389-L397 HydrophobicContact CB-CB 4.06Å; P389-L397 HydrophobicContact CB-CD2 3.87Å; P389-L397 HydrophobicContact CG-CB 3.83Å; P389-L397 HydrophobicContact CG-CD2 4.28Å; P389-H400 HydrophobicContact CB-CB 4.22Å; P389-T401 WeakPolarHBondContact CG-OG1 3.38Å; P389-F415 WeakPolarHBondContact CD-O 3.22Å; P389-I416 HydrophobicContact CG-CG1 4.04Å
390I98.9Very high98.4Very high2 Ų244 Ų441%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-127.2175.6176.167.5163.6000110.6L18 Y26 E162 L194 S195 S197 V388L18-I390 HydrophobicContact CD2-CB 3.9Å; L18-I390 HydrophobicContact CD2-CG2 3.85Å; Y26-I390 HydrophobicContact CD1-CG2 4.32Å; Y26-I390 HydrophobicContact CD2-CD1 4.24Å; Y26-I390 HydrophobicContact CE1-CB 3.74Å; Y26-I390 HydrophobicContact CE1-CD1 4.13Å; Y26-I390 HydrophobicContact CE1-CG2 3.89Å; Y26-I390 HydrophobicContact CE2-CD1 3.76Å; E162-I390 HydrophobicContact CG-CD1 3.94Å; E162-I390 WeakPolarHBondContact OE1-CD1 3.38Å; L194-I390 HydrophobicContact CB-CD1 3.93Å; L194-I390 HydrophobicContact CB-CG1 4.26Å; L194-I390 HydrophobicContact CB-CG2 3.79Å; L194-I390 HydrophobicContact CD2-CG2 4.05Å; L194-I390 HydrophobicContact CG-CG2 4.02Å; S195-I390 WeakPolarHBondContact O-CG1 3.49Å; S195-I390 PolarHBondContact O-N 3.44Å; S197-I390 WeakPolarHBondContact CB-O 3.35Å; S197-I390 PolarHBondContact N-O 3.42Å; S197-I390 PolarHBondContact OG-N 3.25Å; S197-I390 PolarHBondContact OG-O 2.91Å; V388-I390 HydrophobicContact CG1-CG2 4.05Å; V388-I390 PolarHBondContact O-N 3.29Å
391H98.3Very high98.4Very high0 Ų036.9 Ų36.90%016%0.164CC..SBendtrans50.874176.4-160.9-68000112.5G17 N24 Y26 D79 H80 D165 D196 S197 T198 H369G17-H391 WeakPolarHBondContact O-CA 3.39Å; G17-H391 PolarHBondContact O-N 3.48Å; N24-H391 PolarHBondContact ND2-CD2 3.41Å; N24-H391 PolarHBondContact ND2-NE2 2.7Å; N24-H391 PolarHBondContact OD1-CD2 3.22Å; Y26-H391 PolarHBondContact OH-N 2.73Å; Y26-H391 VanDerWaalsContact OH-N 3.15Å; D79-H391 IonicContact OD2-NE2 3.46Å; D79-H391 PolarHBondContact OD2-NE2 3.48Å; H80-H391 AromaticContact CE1-CD2 3.85Å; H80-H391 AromaticContact NE2-CD2 3.61Å; H80-H391 AromaticContact NE2-NE2 3.56Å; D165-H391 IonicContact OD1-CD2 3.82Å; D165-H391 PolarHBondContact OD1-CD2 2.85Å; D165-H391 VanDerWaalsContact OD1-CD2 3.26Å; D165-H391 IonicContact OD1-CG 2.85Å; D165-H391 IonicContact OD1-NE2 2.73Å; D165-H391 IonicContact OD2-CD2 2.83Å; D165-H391 IonicContact OD2-CE1 3.28Å; D165-H391 IonicContact OD2-NE2 2.74Å; D196-H391 IonicContact OD1-ND1 3.53Å; S197-H391 CarbonylContact C-O 3.57Å; S197-H391 PolarHBondContact N-O 3.45Å; T198-H391 PolarHBondContact N-O 3.18Å; T198-H391 VanDerWaalsContact N-O 3.15Å; T198-H391 PolarHBondContact OG1-CE1 3.1Å; T198-H391 PolarHBondContact OG1-ND1 3.46Å; T198-H391 PolarHBondContact OG1-O 3.49Å; H369-H391 AromaticContact CE1-CE1 3.85Å
392G97.2Very high98.5Very high0 Ų036.6 Ų36.60%017%0.168CC..BIsolated β-bridgetrans171.5151.5-177.400000115.6G19 E20 L397G19-G392 CarbonylContact C-O 3.55Å; G19-G392 VanDerWaalsContact CA-O 3.29Å; G19-G392 WeakPolarHBondContact CA-O 3.37Å; G19-G392 PolarHBondContact N-O 3.23Å; E20-G392 PolarHBondContact N-O 3.41Å; E20-G392 VanDerWaalsContact N-O 3.11Å; E20-G392 CarbonylContact O-C 3.58Å; E20-G392 WeakPolarHBondContact O-CA 3.26Å; E20-G392 PolarHBondContact O-N 3.44Å; E20-G392 VanDerWaalsContact O-N 3.08Å; G392-L397 WeakPolarHBondContact O-CG 3.09Å
393E96.6Very high98.5Very high59 Ų5936.9 Ų36.928%0.27617%0.17SC..  trans-61.7158.1165.3-68.2178.1-15100111.2R395 M396 L397E393-R395 HydrophobicContact CB-CG 4.4Å; E393-R395 PolarHBondContact O-N 3.49Å; E393-R395 IonicContact OE1-NH2 3.38Å; E393-R395 IonicContact OE2-CZ 3.25Å; E393-R395 IonicContact OE2-NE 3.68Å; E393-R395 IonicContact OE2-NH1 2.73Å; E393-R395 PolarHBondContact OE2-NH1 2.92Å; E393-R395 IonicContact OE2-NH2 3.7Å; E393-R395 PolarHBondContact OE2-NH2 3.01Å; E393-M396 HydrophobicContact CB-CE 4.12Å; E393-M396 HydrophobicContact CB-CG 4.32Å; E393-M396 HydrophobicContact CB-SD 4.08Å; E393-M396 HydrophobicContact CG-CE 4.08Å; E393-M396 HydrophobicContact CG-SD 4.46Å; E393-M396 PolarHBondContact N-SD 3.24Å; E393-M396 VanDerWaalsContact N-SD 3.38Å; E393-M396 WeakPolarHBondContact O-CA 3.2Å; E393-M396 VanDerWaalsContact O-CB 3.27Å; E393-M396 WeakPolarHBondContact O-CB 3.5Å; E393-M396 PolarHBondContact O-N 2.93Å; E393-L397 WeakPolarHBondContact O-CG 3.47Å; E393-L397 PolarHBondContact O-N 2.91Å
394F98.2Very high98.5Very high125 Ų12531 Ų3155%0.54814%0.144SC..Hα-helixtrans-51.3-38.4-177.4-173.8-91.9000113.9M396 L397 K398 I416F394-M396 VanDerWaalsContact C-N 3.31Å; F394-M396 PolarHBondContact O-N 3.38Å; F394-L397 PolarHBondContact O-N 3.22Å; F394-K398 HydrophobicContact CE1-CD 4.23Å; F394-K398 VanDerWaalsContact O-CB 3.3Å; F394-K398 WeakPolarHBondContact O-CB 3.45Å; F394-K398 PolarHBondContact O-N 2.95Å; F394-I416 HydrophobicContact CD2-CG2 4.09Å; F394-I416 HydrophobicContact CE2-CG2 3.84Å
395R98.1Very high98.5Very high118 Ų11833.7 Ų33.745%0.44516%0.156SC..Hα-helixtrans-60.7-40.3176.770178.3-173.5-107.1-15.2112.4E201 E393 I399E201-R395 WeakPolarHBondContact OE1-CD 3.27Å; E201-R395 IonicContact OE1-NE 2.78Å; E201-R395 WeakPolarHBondContact OE2-CD 2.98Å; E201-R395 IonicContact OE2-CZ 2.67Å; E201-R395 IonicContact OE2-NE 3.16Å; E201-R395 PolarHBondContact OE2-NE 3.23Å; E201-R395 IonicContact OE2-NH2 3.68Å; E393-R395 HydrophobicContact CB-CG 4.4Å; E393-R395 PolarHBondContact O-N 3.49Å; E393-R395 IonicContact OE1-NH2 3.38Å; E393-R395 IonicContact OE2-CZ 3.25Å; E393-R395 IonicContact OE2-NE 3.68Å; E393-R395 IonicContact OE2-NH1 2.73Å; E393-R395 PolarHBondContact OE2-NH1 2.92Å; E393-R395 IonicContact OE2-NH2 3.7Å; E393-R395 PolarHBondContact OE2-NH2 3.01Å; R395-I399 WeakPolarHBondContact O-CG1 3.48Å; R395-I399 PolarHBondContact O-N 3.45Å; R395-I399 VanDerWaalsContact O-N 3.12Å
396M98.5Very high98.5Very high13 Ų1335.3 Ų35.36%0.06417%0.168CC..Hα-helixtrans-69-48.5179.3-56.6169.9-173.300110I21 S197 A200 E393 F394 K398 I399 H400I21-M396 HydrophobicContact CD1-SD 4Å; I21-M396 HydrophobicContact CG1-CE 4.45Å; I21-M396 HydrophobicContact CG1-SD 4.39Å; S197-M396 WeakPolarHBondContact O-CB 3.12Å; A200-M396 WeakPolarHBondContact CB-O 3.22Å; E393-M396 HydrophobicContact CB-CE 4.12Å; E393-M396 HydrophobicContact CB-CG 4.32Å; E393-M396 HydrophobicContact CB-SD 4.08Å; E393-M396 HydrophobicContact CG-CE 4.08Å; E393-M396 HydrophobicContact CG-SD 4.46Å; E393-M396 PolarHBondContact N-SD 3.24Å; E393-M396 VanDerWaalsContact N-SD 3.38Å; E393-M396 WeakPolarHBondContact O-CA 3.2Å; E393-M396 VanDerWaalsContact O-CB 3.27Å; E393-M396 WeakPolarHBondContact O-CB 3.5Å; E393-M396 PolarHBondContact O-N 2.93Å; F394-M396 VanDerWaalsContact C-N 3.31Å; F394-M396 PolarHBondContact O-N 3.38Å; M396-K398 VanDerWaalsContact C-N 3.29Å; M396-K398 PolarHBondContact O-N 3.37Å; M396-I399 PolarHBondContact O-N 2.85Å; M396-H400 WeakPolarHBondContact O-CB 3.23Å; M396-H400 PolarHBondContact O-N 3.34Å
397L98.7Very high98.5Very high1 Ų136 Ų361%0.00517%0.173CC..Hα-helixtrans-58.3-41.9177.6-56.2-175.5000112P389 G392 E393 F394 T401 I416P389-L397 HydrophobicContact CB-CB 4.06Å; P389-L397 HydrophobicContact CB-CD2 3.87Å; P389-L397 HydrophobicContact CG-CB 3.83Å; P389-L397 HydrophobicContact CG-CD2 4.28Å; G392-L397 WeakPolarHBondContact O-CG 3.09Å; E393-L397 WeakPolarHBondContact O-CG 3.47Å; E393-L397 PolarHBondContact O-N 2.91Å; F394-L397 PolarHBondContact O-N 3.22Å; L397-T401 WeakPolarHBondContact O-CB 3.49Å; L397-T401 PolarHBondContact O-N 2.91Å; L397-T401 PolarHBondContact O-OG1 3.47Å; L397-I416 HydrophobicContact CB-CG2 4.13Å; L397-I416 HydrophobicContact CD1-CG2 4.12Å
398K98.7Very high98.4Very high132 Ų13238.9 Ų38.957%0.57420%0.203SC*.Hα-helixtrans-64.7-45.8178.4-176.7176.9-179.6179.50112.2F394 M396 T401 G402 I416F394-K398 HydrophobicContact CE1-CD 4.23Å; F394-K398 VanDerWaalsContact O-CB 3.3Å; F394-K398 WeakPolarHBondContact O-CB 3.45Å; F394-K398 PolarHBondContact O-N 2.95Å; M396-K398 VanDerWaalsContact C-N 3.29Å; M396-K398 PolarHBondContact O-N 3.37Å; K398-T401 WeakPolarHBondContact O-CB 3.28Å; K398-T401 PolarHBondContact O-N 3.47Å; K398-G402 PolarHBondContact O-N 2.99Å; K398-G402 VanDerWaalsContact O-N 3.17Å; K398-I416 HydrophobicContact CB-CD1 4.09Å; K398-I416 HydrophobicContact CG-CD1 4.48Å
399I98.7Very high98.4Very high58 Ų5839.2 Ų39.230%0.29721%0.205SC..Hα-helixtrans-65.5-45.3178.4-70162.9000110A200 E201 R395 M396 T401 G402 L403A200-I399 HydrophobicContact CB-CB 4.24Å; A200-I399 HydrophobicContact CB-CG2 4.09Å; A200-I399 WeakPolarHBondContact O-CG2 3.48Å; E201-I399 HydrophobicContact CB-CD1 4.37Å; E201-I399 HydrophobicContact CG-CD1 3.68Å; R395-I399 WeakPolarHBondContact O-CG1 3.48Å; R395-I399 PolarHBondContact O-N 3.45Å; R395-I399 VanDerWaalsContact O-N 3.12Å; M396-I399 PolarHBondContact O-N 2.85Å; I399-T401 VanDerWaalsContact C-N 3.27Å; I399-T401 PolarHBondContact O-N 3.25Å; I399-G402 WeakPolarHBondContact O-CA 3.46Å; I399-G402 PolarHBondContact O-N 2.78Å; I399-L403 WeakPolarHBondContact O-CG 3.47Å; I399-L403 PolarHBondContact O-N 2.68Å
400H98.8Very high98.4Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-60.2-37.9178.6-160.1177.4000112.3S195 D196 S197 A200 F387 P389 M396 G402 L403 A404S195-H400 PolarHBondContact OG-CE1 2.96Å; D196-H400 PolarHBondContact O-CE1 2.97Å; D196-H400 PolarHBondContact O-ND1 3.23Å; S197-H400 WeakPolarHBondContact CA-ND1 3.11Å; S197-H400 PolarHBondContact OG-ND1 2.84Å; A200-H400 HydrophobicContact CB-CB 3.84Å; F387-H400 AromaticContact CZ-CD2 3.73Å; F387-H400 AromaticContact CZ-CE1 3.86Å; F387-H400 AromaticContact CZ-CG 3.83Å; F387-H400 AromaticContact CZ-ND1 3.89Å; F387-H400 AromaticContact CZ-NE2 3.75Å; P389-H400 HydrophobicContact CB-CB 4.22Å; M396-H400 WeakPolarHBondContact O-CB 3.23Å; M396-H400 PolarHBondContact O-N 3.34Å; H400-G402 VanDerWaalsContact C-N 3.32Å; H400-G402 PolarHBondContact O-N 3.12Å; H400-L403 WeakPolarHBondContact O-CB 3.42Å; H400-L403 PolarHBondContact O-N 2.79Å; H400-L403 VanDerWaalsContact O-N 3.09Å; H400-A404 PolarHBondContact O-N 2.75Å
401T98.8Very high98.3Very high11 Ų1148.5 Ų48.57%0.06725%0.253CS..Hα-helixtrans-58.1-43.2171.3-63.60000112.1P389 L397 K398 I399 L403 A404 Q405 C414 I416P389-T401 WeakPolarHBondContact CG-OG1 3.38Å; L397-T401 WeakPolarHBondContact O-CB 3.49Å; L397-T401 PolarHBondContact O-N 2.91Å; L397-T401 PolarHBondContact O-OG1 3.47Å; K398-T401 WeakPolarHBondContact O-CB 3.28Å; K398-T401 PolarHBondContact O-N 3.47Å; I399-T401 VanDerWaalsContact C-N 3.27Å; I399-T401 PolarHBondContact O-N 3.25Å; T401-L403 VanDerWaalsContact C-N 3.32Å; T401-L403 PolarHBondContact O-N 2.59Å; T401-A404 WeakPolarHBondContact O-CB 3.32Å; T401-A404 PolarHBondContact O-N 3.19Å; T401-Q405 WeakPolarHBondContact O-CG 3.26Å; T401-Q405 PolarHBondContact O-N 2.84Å; T401-Q405 VanDerWaalsContact O-N 3.07Å; T401-C414 HydrophobicContact CG2-CB 3.54Å; T401-I416 WeakPolarHBondContact OG1-CG1 3.31Å
402G98.7Very high98.3Very high22 Ų2255.3 Ų55.323%0.22729%0.285CS..Hα-helixtrans-61.1-38.6173.100000112.7K398 I399 H400 A404 Q405 D406K398-G402 PolarHBondContact O-N 2.99Å; K398-G402 VanDerWaalsContact O-N 3.17Å; I399-G402 WeakPolarHBondContact O-CA 3.46Å; I399-G402 PolarHBondContact O-N 2.78Å; H400-G402 VanDerWaalsContact C-N 3.32Å; H400-G402 PolarHBondContact O-N 3.12Å; G402-A404 VanDerWaalsContact C-N 3.33Å; G402-A404 PolarHBondContact O-N 3.41Å; G402-Q405 WeakPolarHBondContact O-CB 3.4Å; G402-Q405 PolarHBondContact O-N 3.29Å; G402-D406 PolarHBondContact O-N 2.93Å
403L98.8Very high98.4Very high7 Ų756.7 Ų56.74%0.03729%0.292CS..Hα-helixtrans-65-36.9175.1-49.4174.6000111.9Q372 Q375 K376 L379 I399 H400 T401 D406 T407Q372-L403 HydrophobicContact CB-CD1 4.08Å; Q372-L403 HydrophobicContact CB-CD2 4.27Å; Q372-L403 HydrophobicContact CG-CD1 3.76Å; Q372-L403 HydrophobicContact CG-CD2 3.94Å; Q375-L403 HydrophobicContact CB-CD1 4.11Å; K376-L403 HydrophobicContact CG-CB 4.19Å; L379-L403 HydrophobicContact CD1-CB 4.26Å; I399-L403 WeakPolarHBondContact O-CG 3.47Å; I399-L403 PolarHBondContact O-N 2.68Å; H400-L403 WeakPolarHBondContact O-CB 3.42Å; H400-L403 PolarHBondContact O-N 2.79Å; H400-L403 VanDerWaalsContact O-N 3.09Å; T401-L403 VanDerWaalsContact C-N 3.32Å; T401-L403 PolarHBondContact O-N 2.59Å; L403-D406 WeakPolarHBondContact O-CB 3.43Å; L403-D406 PolarHBondContact O-N 2.82Å; L403-T407 WeakPolarHBondContact O-CG2 3.49Å; L403-T407 PolarHBondContact O-N 3.4Å; L403-T407 VanDerWaalsContact O-N 3.14Å; L403-T407 PolarHBondContact O-OG1 3.08Å
404A98.9Very high98.5Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-62-44.7173.900000111.2L379 F387 H400 T401 G402 T407 G408 V409L379-A404 HydrophobicContact CD1-CB 4.13Å; L379-A404 HydrophobicContact CD2-CB 3.75Å; F387-A404 HydrophobicContact CB-CB 4.26Å; F387-A404 HydrophobicContact CD1-CB 3.47Å; F387-A404 VanDerWaalsContact CD1-CB 3.47Å; F387-A404 HydrophobicContact CD2-CB 4.31Å; F387-A404 HydrophobicContact CE1-CB 3.8Å; F387-A404 HydrophobicContact CG-CB 3.74Å; F387-A404 HydrophobicContact CZ-CB 4.35Å; H400-A404 PolarHBondContact O-N 2.75Å; T401-A404 WeakPolarHBondContact O-CB 3.32Å; T401-A404 PolarHBondContact O-N 3.19Å; G402-A404 VanDerWaalsContact C-N 3.33Å; G402-A404 PolarHBondContact O-N 3.41Å; A404-T407 PolarHBondContact O-N 2.8Å; A404-T407 VanDerWaalsContact O-N 3.14Å; A404-T407 PolarHBondContact O-OG1 3.32Å; A404-G408 PolarHBondContact O-N 3.17Å; A404-V409 HydrophobicContact CB-CB 4.22Å; A404-V409 HydrophobicContact CB-CG2 4.18Å; A404-V409 PolarHBondContact O-N 3.07Å
405Q98.7Very high98.5Very high68 Ų6850 Ų5032%0.31826%0.264SS..Hα-helixtrans-61.2-46.2175.3-65.8167.1-500112T401 G402 T407 G408 V409T401-Q405 WeakPolarHBondContact O-CG 3.26Å; T401-Q405 PolarHBondContact O-N 2.84Å; T401-Q405 VanDerWaalsContact O-N 3.07Å; G402-Q405 WeakPolarHBondContact O-CB 3.4Å; G402-Q405 PolarHBondContact O-N 3.29Å; Q405-T407 PolarHBondContact O-N 3.31Å; Q405-T407 VanDerWaalsContact O-N 3.14Å; Q405-G408 PolarHBondContact O-N 3.26Å; Q405-V409 WeakPolarHBondContact CA-O 3.21Å
406D98.2Very high98.5Very high116 Ų11646.2 Ų46.262%0.6225%0.252SS*.Hα-helixtrans-55.3-32.4174.7-77.2-8.6000112.6K376 G402 L403K376-D406 IonicContact NZ-OD2 3.87Å; K376-D406 PolarHBondContact NZ-OD2 2.88Å; G402-D406 PolarHBondContact O-N 2.93Å; L403-D406 WeakPolarHBondContact O-CB 3.43Å; L403-D406 PolarHBondContact O-N 2.82Å
407T98.4Very high98.5Very high21 Ų2145.8 Ų45.813%0.12925%0.25CS..THydrogen-bonded Turntrans-89.3-3.6-179.461.30000114.5K376 L379 R380 L403 A404 Q405K376-T407 HydrophobicContact CB-CG2 3.94Å; K376-T407 HydrophobicContact CD-CG2 4.41Å; K376-T407 HydrophobicContact CG-CG2 3.85Å; L379-T407 HydrophobicContact CB-CG2 4.22Å; L379-T407 HydrophobicContact CD1-CG2 4.33Å; R380-T407 HydrophobicContact CG-CG2 4.1Å; R380-T407 PolarHBondContact NH1-O 2.95Å; R380-T407 VanDerWaalsContact NH1-O 3.1Å; L403-T407 WeakPolarHBondContact O-CG2 3.49Å; L403-T407 PolarHBondContact O-N 3.4Å; L403-T407 VanDerWaalsContact O-N 3.14Å; L403-T407 PolarHBondContact O-OG1 3.08Å; A404-T407 PolarHBondContact O-N 2.8Å; A404-T407 VanDerWaalsContact O-N 3.14Å; A404-T407 PolarHBondContact O-OG1 3.32Å; Q405-T407 PolarHBondContact O-N 3.31Å; Q405-T407 VanDerWaalsContact O-N 3.14Å
408G97.5Very high98.5Very high60 Ų6052 Ų5262%0.61928%0.279SS*.THydrogen-bonded Turntrans1117.6171.500000116.2A404 Q405A404-G408 PolarHBondContact O-N 3.17Å; Q405-G408 PolarHBondContact O-N 3.26Å
409V98.6Very high98.4Very high10 Ų1047 Ų476%0.06126%0.258CS..  trans-75124.4171.9-173.80000108.7P384 F387 A404 Q405 N413P384-V409 HydrophobicContact CG-CG2 4.09Å; F387-V409 HydrophobicContact CB-CG1 4.12Å; A404-V409 HydrophobicContact CB-CB 4.22Å; A404-V409 HydrophobicContact CB-CG2 4.18Å; A404-V409 PolarHBondContact O-N 3.07Å; Q405-V409 WeakPolarHBondContact CA-O 3.21Å; V409-N413 HydrophobicContact CG1-CB 4.15Å
410P98.4Very high98.4Very high53 Ų5344.2 Ų44.234%0.34424%0.244SC..  trans-58.6145.5179.6-23.733.6000112.3E412 N413 C414P410-E412 VanDerWaalsContact C-N 3.27Å; P410-E412 VanDerWaalsContact CB-CD 3.43Å; P410-E412 HydrophobicContact CB-CG 4.22Å; P410-E412 WeakPolarHBondContact CB-OE2 3.28Å; P410-E412 PolarHBondContact O-N 2.81Å; P410-N413 HydrophobicContact CB-CB 4.29Å; P410-N413 WeakPolarHBondContact O-CA 3.44Å; P410-N413 WeakPolarHBondContact O-CB 3.43Å; P410-N413 PolarHBondContact O-N 2.85Å; P410-C414 PolarHBondContact O-N 3.21Å
411E98.3Very high98.4Very high145 Ų14545.4 Ų45.468%0.67825%0.251SS*.G310 helixtrans-58.2-40.6-178.7174.2172-164.800111.8N413 C414E411-N413 PolarHBondContact O-N 3.47Å; E411-N413 VanDerWaalsContact O-N 3.16Å; E411-C414 PolarHBondContact O-N 2.82Å; E411-C414 VanDerWaalsContact O-N 3.14Å
412E98Very high98.3Very high143 Ų14345 Ų4567%0.66825%0.248SC*.G310 helixtrans-65.3-14176.967.3-89.5-151.600114.2P410 F415P410-E412 VanDerWaalsContact C-N 3.27Å; P410-E412 VanDerWaalsContact CB-CD 3.43Å; P410-E412 HydrophobicContact CB-CG 4.22Å; P410-E412 WeakPolarHBondContact CB-OE2 3.28Å; P410-E412 PolarHBondContact O-N 2.81Å; E412-F415 WeakPolarHBondContact O-CZ 3.26Å
413N98.6Very high98.3Very high29 Ų2944 Ų4416%0.15524%0.237CC..G310 helixtrans-101.20.5179-73.33.4000113.1K385 Y386 F387 V409 P410 E411 F415K385-N413 WeakPolarHBondContact O-CB 3.47Å; K385-N413 PolarHBondContact O-ND2 2.91Å; Y386-N413 WeakPolarHBondContact CA-O 3.4Å; Y386-N413 HydrophobicContact CD1-CB 3.64Å; Y386-N413 HydrophobicContact CE1-CB 4.16Å; Y386-N413 WeakPolarHBondContact CE1-OD1 3.21Å; F387-N413 PolarHBondContact N-O 2.8Å; V409-N413 HydrophobicContact CG1-CB 4.15Å; P410-N413 HydrophobicContact CB-CB 4.29Å; P410-N413 WeakPolarHBondContact O-CA 3.44Å; P410-N413 WeakPolarHBondContact O-CB 3.43Å; P410-N413 PolarHBondContact O-N 2.85Å; E411-N413 PolarHBondContact O-N 3.47Å; E411-N413 VanDerWaalsContact O-N 3.16Å; N413-F415 WeakPolarHBondContact O-CD2 3.23Å; N413-F415 WeakPolarHBondContact O-CE2 3.14Å
414C98.7Very high98.3Very high18 Ų1843.7 Ų43.712%0.12224%0.236CC..BIsolated β-bridgetrans-100.3127.4175.9-67.40000110.9F387 T401 P410 E411F387-C414 WeakPolarHBondContact O-CA 3.49Å; T401-C414 HydrophobicContact CG2-CB 3.54Å; P410-C414 PolarHBondContact O-N 3.21Å; E411-C414 PolarHBondContact O-N 2.82Å; E411-C414 VanDerWaalsContact O-N 3.14Å
415F98.7Very high98.3Very high24 Ų2443.7 Ų43.711%0.10524%0.236CC..  trans-125.2101.3-174.9-58.1-85.8000111.4Y386 F387 V388 P389 E412 N413 M417 L423 A430Y386-F415 AromaticContact CD1-CE2 3.84Å; Y386-F415 HydrophobicContact CD1-CE2 3.84Å; Y386-F415 HydrophobicContact CG-CE2 4.41Å; F387-F415 PolarHBondContact O-N 3.42Å; V388-F415 HydrophobicContact CG2-CB 4.28Å; P389-F415 WeakPolarHBondContact CD-O 3.22Å; E412-F415 WeakPolarHBondContact O-CZ 3.26Å; N413-F415 WeakPolarHBondContact O-CD2 3.23Å; N413-F415 WeakPolarHBondContact O-CE2 3.14Å; F415-M417 HydrophobicContact CB-CG 4.26Å; F415-M417 PolarHBondContact O-N 3.12Å; F415-L423 HydrophobicContact CB-CD1 4.48Å; F415-L423 HydrophobicContact CB-CD2 4.24Å; F415-L423 HydrophobicContact CD1-CD1 3.77Å; F415-L423 HydrophobicContact CD2-CD1 4Å; F415-L423 HydrophobicContact CD2-CD2 3.7Å; F415-L423 HydrophobicContact CE1-CD1 3.95Å; F415-L423 HydrophobicContact CE2-CD1 4.15Å; F415-L423 HydrophobicContact CE2-CD2 4.26Å; F415-L423 HydrophobicContact CG-CD1 3.81Å; F415-L423 HydrophobicContact CG-CD2 3.99Å; F415-L423 HydrophobicContact CZ-CD1 4.15Å; F415-A430 HydrophobicContact CE2-CB 3.67Å; F415-A430 HydrophobicContact CZ-CB 3.52Å
416I98.6Very high98.3Very high39 Ų3940.8 Ų40.820%0.222%0.223CC..  trans-75.9113.9164.1-57.8172.9000107.6P389 F394 L397 K398 T401 R432P389-I416 HydrophobicContact CG-CG1 4.04Å; F394-I416 HydrophobicContact CD2-CG2 4.09Å; F394-I416 HydrophobicContact CE2-CG2 3.84Å; L397-I416 HydrophobicContact CB-CG2 4.13Å; L397-I416 HydrophobicContact CD1-CG2 4.12Å; K398-I416 HydrophobicContact CB-CD1 4.09Å; K398-I416 HydrophobicContact CG-CD1 4.48Å; T401-I416 WeakPolarHBondContact OG1-CG1 3.31Å; I416-R432 PolarHBondContact O-NH1 3.11Å; I416-R432 PolarHBondContact O-NH2 3.14Å
417M98.1Very high98.2Very high5 Ų538.4 Ų38.43%0.02522%0.219CC..  trans-108.8164.5-177-66.8173.763.900111.1L18 V388 F415 D421 L423L18-M417 HydrophobicContact CD1-CB 3.74Å; V388-M417 HydrophobicContact CG1-SD 4.01Å; V388-M417 HydrophobicContact CG2-SD 4.17Å; F415-M417 HydrophobicContact CB-CG 4.26Å; F415-M417 PolarHBondContact O-N 3.12Å; M417-D421 HydrophobicContact CB-CB 4.2Å; M417-D421 VanDerWaalsContact CE-C 3.48Å; M417-D421 HydrophobicContact CE-CB 3.66Å; M417-D421 WeakPolarHBondContact CE-O 3.35Å; M417-L423 HydrophobicContact CE-CB 3.88Å; M417-L423 HydrophobicContact SD-CB 3.71Å; M417-L423 HydrophobicContact SD-CD2 4.31Å
418E97.8Very high98Very high132 Ų13243.4 Ų43.462%0.61725%0.245SC*.  trans-108.8160.9170.3-64.9176.3176.800109.8G420 D421E418-G420 PolarHBondContact O-N 3.26Å; E418-D421 WeakPolarHBondContact O-CB 3.48Å; E418-D421 PolarHBondContact O-N 3.32Å
419N98.3Very high98.1Very high26 Ų2642.9 Ų42.914%0.13923%0.232CC..THydrogen-bonded Turntrans-54.4130.8170.8-68.3-23.1000109.6G16 G17 L18 E20 H435 A438G16-N419 WeakPolarHBondContact CA-OD1 3.33Å; G17-N419 PolarHBondContact N-OD1 3.06Å; L18-N419 WeakPolarHBondContact CB-OD1 3.45Å; L18-N419 PolarHBondContact N-OD1 3.41Å; E20-N419 PolarHBondContact OE1-ND2 3.05Å; N419-H435 PolarHBondContact O-CE1 3.46Å; N419-A438 HydrophobicContact CB-CB 4.06Å
420G97.8Very high98Very high0 Ų043.7 Ų43.70%024%0.24CC..THydrogen-bonded Turntrans93-15.8-177.300000115A14 E418 H435 F436A14-G420 PolarHBondContact O-N 2.91Å; E418-G420 PolarHBondContact O-N 3.26Å; G420-H435 CarbonylContact O-C 3.52Å; G420-H435 VanDerWaalsContact O-CA 3.26Å; G420-H435 WeakPolarHBondContact O-CA 3.38Å; G420-F436 WeakPolarHBondContact CA-O 3.33Å; G420-F436 WeakPolarHBondContact O-CD1 3.3Å; G420-F436 VanDerWaalsContact O-CE1 3.23Å; G420-F436 WeakPolarHBondContact O-CE1 3.43Å; G420-F436 PolarHBondContact O-N 3.45Å
421D98Very high98Very high25 Ų2544.6 Ų44.613%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-70.5144173.9-86.4-0.5000111.7F13 M417 E418 R432 H435F13-D421 WeakPolarHBondContact CA-O 3.36Å; F13-D421 WeakPolarHBondContact CB-O 3.41Å; M417-D421 HydrophobicContact CB-CB 4.2Å; M417-D421 VanDerWaalsContact CE-C 3.48Å; M417-D421 HydrophobicContact CE-CB 3.66Å; M417-D421 WeakPolarHBondContact CE-O 3.35Å; E418-D421 WeakPolarHBondContact O-CB 3.48Å; E418-D421 PolarHBondContact O-N 3.32Å; D421-R432 IonicContact OD2-NH1 2.69Å; D421-R432 PolarHBondContact OD2-NH1 3.35Å; D421-H435 PolarHBondContact N-ND1 3.11Å; D421-H435 IonicContact OD1-CE1 3.74Å; D421-H435 IonicContact OD1-CG 3.86Å; D421-H435 IonicContact OD1-ND1 3.53Å; D421-H435 PolarHBondContact OD1-ND1 3.29Å
422M98.3Very high97.9Very high2 Ų243.4 Ų43.41%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-115.9126.9174.1-177.27462.600110.5L3 F13 A433 G434 F436L3-M422 HydrophobicContact CD1-CB 3.45Å; L3-M422 VanDerWaalsContact CD1-CB 3.45Å; L3-M422 HydrophobicContact CD1-CE 3.99Å; L3-M422 HydrophobicContact CD1-CG 3.86Å; L3-M422 HydrophobicContact CD2-CE 4.38Å; F13-M422 HydrophobicContact CB-CE 3.98Å; F13-M422 HydrophobicContact CB-SD 3.99Å; F13-M422 HydrophobicContact CD1-CE 3.34Å; F13-M422 HydrophobicContact CD1-SD 3.57Å; F13-M422 VanDerWaalsContact CD1-SD 3.57Å; F13-M422 HydrophobicContact CE1-CE 3.91Å; F13-M422 HydrophobicContact CE1-SD 4.45Å; F13-M422 HydrophobicContact CG-CE 3.77Å; F13-M422 HydrophobicContact CG-SD 4.16Å; M422-A433 HydrophobicContact CB-CB 4.23Å; M422-A433 HydrophobicContact CG-CB 3.95Å; M422-A433 PolarHBondContact O-N 2.91Å; M422-G434 PolarHBondContact N-O 3.19Å; M422-G434 VanDerWaalsContact N-O 3.07Å; M422-F436 HydrophobicContact CE-CD1 4.36Å; M422-F436 HydrophobicContact CE-CE1 4.09Å
423L98.7Very high97.9Very high0 Ų036.7 Ų36.70%020%0.195CC..EExtended strand (participates in β ladder)trans-101.2117.8171.1-175.867.4000109.6G11 V12 V388 F415 M417 L425 A430G11-L423 CarbonylContact C-O 3.54Å; G11-L423 VanDerWaalsContact CA-O 3.31Å; G11-L423 WeakPolarHBondContact CA-O 3.46Å; V12-L423 HydrophobicContact CB-CB 4.49Å; V12-L423 PolarHBondContact N-O 3.04Å; V12-L423 PolarHBondContact O-N 3Å; V388-L423 HydrophobicContact CG2-CD2 3.68Å; F415-L423 HydrophobicContact CB-CD1 4.48Å; F415-L423 HydrophobicContact CB-CD2 4.24Å; F415-L423 HydrophobicContact CD1-CD1 3.77Å; F415-L423 HydrophobicContact CD2-CD1 4Å; F415-L423 HydrophobicContact CD2-CD2 3.7Å; F415-L423 HydrophobicContact CE1-CD1 3.95Å; F415-L423 HydrophobicContact CE2-CD1 4.15Å; F415-L423 HydrophobicContact CE2-CD2 4.26Å; F415-L423 HydrophobicContact CG-CD1 3.81Å; F415-L423 HydrophobicContact CG-CD2 3.99Å; F415-L423 HydrophobicContact CZ-CD1 4.15Å; M417-L423 HydrophobicContact CE-CB 3.88Å; M417-L423 HydrophobicContact SD-CB 3.71Å; M417-L423 HydrophobicContact SD-CD2 4.31Å; L423-L425 HydrophobicContact CD2-CD1 4.49Å; L423-L425 HydrophobicContact CD2-CD2 3.79Å; L423-L425 HydrophobicContact CD2-CG 4.29Å; L423-L425 HydrophobicContact CG-CD2 3.87Å; L423-L425 HydrophobicContact CG-CG 4.15Å; L423-A430 HydrophobicContact CD1-CB 4.46Å
424A98.6Very high97.8Very high1 Ų135.7 Ų35.71%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-91.8128173.900000110.4L5 E9 A430 R431 A433L5-A424 HydrophobicContact CD1-CB 3.64Å; E9-A424 HydrophobicContact CB-CB 4.14Å; E9-A424 HydrophobicContact CG-CB 4.23Å; E9-A424 WeakPolarHBondContact OE2-CB 3.33Å; A424-A430 CarbonylContact O-C 3.28Å; A424-A430 WeakPolarHBondContact O-CA 3.45Å; A424-R431 HydrophobicContact CB-CG 3.94Å; A424-R431 PolarHBondContact N-O 3.43Å; A424-R431 PolarHBondContact O-N 3.12Å; A424-A433 HydrophobicContact CB-CB 3.64Å
425L98.7Very high97.7Very high0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-123.5133.3-174.3-59.8168.5000110.6E9 T10 V12 I160 L191 C192 Y386 L423 A430E9-L425 CarbonylContact C-O 3.54Å; E9-L425 WeakPolarHBondContact CA-O 3.31Å; T10-L425 PolarHBondContact N-O 3.08Å; T10-L425 PolarHBondContact O-N 2.91Å; V12-L425 HydrophobicContact CB-CD1 4.41Å; V12-L425 HydrophobicContact CG2-CD1 3.67Å; I160-L425 HydrophobicContact CD1-CD1 3.66Å; L191-L425 HydrophobicContact CD2-CB 3.97Å; C192-L425 HydrophobicContact CB-CD1 3.55Å; Y386-L425 HydrophobicContact CD2-CD2 3.63Å; Y386-L425 HydrophobicContact CE2-CD2 4.09Å; Y386-L425 HydrophobicContact CG-CD2 4Å; L423-L425 HydrophobicContact CD2-CD1 4.49Å; L423-L425 HydrophobicContact CD2-CD2 3.79Å; L423-L425 HydrophobicContact CD2-CG 4.29Å; L423-L425 HydrophobicContact CG-CD2 3.87Å; L423-L425 HydrophobicContact CG-CG 4.15Å; L425-A430 HydrophobicContact CD2-CB 3.6Å
426T98.3Very high97.6Very high8 Ų838.3 Ų38.35%0.04920%0.201CC..  trans-117.8173.7161.765.60000108.8E9 L191 D428 S429E9-T426 HydrophobicContact CG-CG2 3.65Å; L191-T426 WeakPolarHBondContact CD1-O 3.49Å; T426-D428 WeakPolarHBondContact CB-OD1 3.39Å; T426-D428 PolarHBondContact O-N 2.78Å; T426-D428 PolarHBondContact OG1-N 2.78Å; T426-D428 PolarHBondContact OG1-OD1 2.86Å; T426-S429 PolarHBondContact N-O 3.48Å; T426-S429 PolarHBondContact OG1-N 3.17Å; T426-S429 PolarHBondContact OG1-O 2.87Å; T426-S429 PolarHBondContact OG1-OG 3.41Å
427A95.8Very high97.4Very high65 Ų6540 Ų4054%0.53721%0.211SC..SBendtrans-56-25.317500000113K385K385-A427 PolarHBondContact NZ-O 2.99Å
428D95.6Very high97.3Very high126 Ų12640.4 Ų40.467%0.67422%0.215SC*.SBendtrans-120.1-13.5-170.660.2-31.5000115.1T426T426-D428 WeakPolarHBondContact CB-OD1 3.39Å; T426-D428 PolarHBondContact O-N 2.78Å; T426-D428 PolarHBondContact OG1-N 2.78Å; T426-D428 PolarHBondContact OG1-OD1 2.86Å
429S97.7Very high97.1Very high50 Ų5037 Ų3735%0.3521%0.206SC..  trans-143.3156.3-176.573.90000113.4Y386 T426Y386-S429 WeakPolarHBondContact OH-CA 3.39Å; Y386-S429 PolarHBondContact OH-N 2.66Å; Y386-S429 VanDerWaalsContact OH-N 3.16Å; Y386-S429 PolarHBondContact OH-O 2.78Å; T426-S429 PolarHBondContact N-O 3.48Å; T426-S429 PolarHBondContact OG1-N 3.17Å; T426-S429 PolarHBondContact OG1-O 2.87Å; T426-S429 PolarHBondContact OG1-OG 3.41Å
430A98.2Very high96.9Very high27 Ų2738.6 Ų38.622%0.22321%0.214CC..EExtended strand (participates in β ladder)trans-135.8138170.600000109.3Y386 F415 L423 A424 L425Y386-A430 HydrophobicContact CD1-CB 3.64Å; Y386-A430 HydrophobicContact CD2-CB 4.28Å; Y386-A430 HydrophobicContact CE1-CB 3.37Å; Y386-A430 HydrophobicContact CE2-CB 4.02Å; Y386-A430 HydrophobicContact CG-CB 4.09Å; Y386-A430 PolarHBondContact OH-N 3.2Å; F415-A430 HydrophobicContact CE2-CB 3.67Å; F415-A430 HydrophobicContact CZ-CB 3.52Å; L423-A430 HydrophobicContact CD1-CB 4.46Å; A424-A430 CarbonylContact O-C 3.28Å; A424-A430 WeakPolarHBondContact O-CA 3.45Å; L425-A430 HydrophobicContact CD2-CB 3.6Å
431R97Very high96.7Very high71 Ų7140.1 Ų40.127%0.26822%0.223SC..EExtended strand (participates in β ladder)trans-149.6146.8177.466.8179.1-173.979.32.1111.5S4 E9 A424 A433S4-R431 PolarHBondContact O-NH1 2.84Å; S4-R431 PolarHBondContact O-NH2 2.9Å; E9-R431 VanDerWaalsContact CD-NH2 3.33Å; E9-R431 IonicContact OE1-CZ 3.81Å; E9-R431 IonicContact OE1-NE 3.72Å; E9-R431 PolarHBondContact OE1-NE 2.82Å; E9-R431 IonicContact OE1-NH2 3.26Å; E9-R431 PolarHBondContact OE1-NH2 3.49Å; E9-R431 VanDerWaalsContact OE1-NH2 3.13Å; E9-R431 IonicContact OE2-CZ 3.26Å; E9-R431 IonicContact OE2-NE 3.17Å; E9-R431 IonicContact OE2-NH2 3.88Å; E9-R431 PolarHBondContact OE2-NH2 3.29Å; A424-R431 HydrophobicContact CB-CG 3.94Å; A424-R431 PolarHBondContact N-O 3.43Å; A424-R431 PolarHBondContact O-N 3.12Å; R431-A433 PolarHBondContact O-N 3.02Å
432R97.4Very high96.5Very high121 Ų12140.4 Ų40.446%0.45722%0.223SC..EExtended strand (participates in β ladder)trans-65132.7165.7-64.1-173.5-174.5-109.5-0.7109.4I416 D421I416-R432 PolarHBondContact O-NH1 3.11Å; I416-R432 PolarHBondContact O-NH2 3.14Å; D421-R432 IonicContact OD2-NH1 2.69Å; D421-R432 PolarHBondContact OD2-NH1 3.35Å
433A97.1Very high96.1Very high2 Ų240.4 Ų40.42%0.01722%0.223CC..EExtended strand (participates in β ladder)trans-119.122.2-167.400000113.3L3 S4 M422 A424 R431L3-A433 CarbonylContact C-O 3.57Å; L3-A433 WeakPolarHBondContact CA-O 3.44Å; S4-A433 PolarHBondContact N-O 3.08Å; S4-A433 WeakPolarHBondContact O-CB 3.37Å; M422-A433 HydrophobicContact CB-CB 4.23Å; M422-A433 HydrophobicContact CG-CB 3.95Å; M422-A433 PolarHBondContact O-N 2.91Å; A424-A433 HydrophobicContact CB-CB 3.64Å; R431-A433 PolarHBondContact O-N 3.02Å
434G96.4Very high95.6Very high7 Ų742.8 Ų42.87%0.07224%0.236CC..EExtended strand (participates in β ladder)trans102.1-170.618000000112.6M1 M422M1-G434 WeakPolarHBondContact O-CA 3.38Å; M422-G434 PolarHBondContact N-O 3.19Å; M422-G434 VanDerWaalsContact N-O 3.07Å
435H97.1Very high94.9Very high79 Ų7945.3 Ų45.337%0.36626%0.262SS..EExtended strand (participates in β ladder)trans-140142.1-172.5-169.195.1000109.5M1 N419 G420 D421M1-H435 PolarHBondContact O-N 3.41Å; M1-H435 VanDerWaalsContact O-N 3.12Å; N419-H435 PolarHBondContact O-CE1 3.46Å; G420-H435 CarbonylContact O-C 3.52Å; G420-H435 VanDerWaalsContact O-CA 3.26Å; G420-H435 WeakPolarHBondContact O-CA 3.38Å; D421-H435 PolarHBondContact N-ND1 3.11Å; D421-H435 IonicContact OD1-CE1 3.74Å; D421-H435 IonicContact OD1-CG 3.86Å; D421-H435 IonicContact OD1-ND1 3.53Å; D421-H435 PolarHBondContact OD1-ND1 3.29Å
436F96.2Very high94Very high18 Ų1851.2 Ų51.28%0.07930%0.303CS..  trans-119.9165.3172.361.7-93000110.1L3 F13 I15 Y60 G420 M422 A438L3-F436 HydrophobicContact CD1-CD1 4.22Å; F13-F436 HydrophobicContact CB-CE1 3.87Å; F13-F436 HydrophobicContact CB-CZ 4.18Å; F13-F436 AromaticContact CD2-CE1 3.86Å; F13-F436 HydrophobicContact CD2-CE1 3.86Å; F13-F436 AromaticContact CD2-CZ 3.52Å; F13-F436 HydrophobicContact CD2-CZ 3.52Å; F13-F436 HydrophobicContact CE2-CZ 4.17Å; F13-F436 AromaticContact CG-CE1 3.98Å; F13-F436 HydrophobicContact CG-CE1 3.98Å; F13-F436 HydrophobicContact CG-CZ 4.1Å; I15-F436 HydrophobicContact CG1-CE2 4.02Å; I15-F436 HydrophobicContact CG1-CZ 4.15Å; Y60-F436 HydrophobicContact CD1-CE2 4.48Å; Y60-F436 HydrophobicContact CD2-CB 3.89Å; Y60-F436 HydrophobicContact CD2-CD1 4.15Å; Y60-F436 AromaticContact CD2-CD2 3.96Å; Y60-F436 HydrophobicContact CD2-CD2 3.96Å; Y60-F436 AromaticContact CD2-CG 3.72Å; Y60-F436 HydrophobicContact CD2-CG 3.72Å; Y60-F436 HydrophobicContact CE2-CB 4.43Å; Y60-F436 HydrophobicContact CE2-CD1 4.29Å; Y60-F436 HydrophobicContact CE2-CG 4.28Å; Y60-F436 HydrophobicContact CG-CD1 4.45Å; Y60-F436 AromaticContact CG-CD2 3.81Å; Y60-F436 HydrophobicContact CG-CD2 3.81Å; Y60-F436 HydrophobicContact CG-CE2 4.09Å; Y60-F436 HydrophobicContact CG-CG 4.03Å; G420-F436 WeakPolarHBondContact CA-O 3.33Å; G420-F436 WeakPolarHBondContact O-CD1 3.3Å; G420-F436 VanDerWaalsContact O-CE1 3.23Å; G420-F436 WeakPolarHBondContact O-CE1 3.43Å; G420-F436 PolarHBondContact O-N 3.45Å; M422-F436 HydrophobicContact CE-CD1 4.36Å; M422-F436 HydrophobicContact CE-CE1 4.09Å; F436-A438 HydrophobicContact CD2-CB 4.42Å; F436-A438 HydrophobicContact CE2-CB 4.03Å; F436-A438 PolarHBondContact O-N 3.08Å
437N94.8Very high93.2Very high75 Ų7551.4 Ų51.440%0.40131%0.307SS..  trans-69121.4179.8179.242000110.7D57 S439D57-N437 PolarHBondContact OD2-ND2 2.49Å; N437-S439 PolarHBondContact OD1-OG 3.35Å
438A95.5Very high92.6Very high13 Ų1350.8 Ų50.811%0.10729%0.294CS..  trans-137.146.2179.200000109.7I15 N419 F436I15-A438 HydrophobicContact CG2-CB 4.31Å; N419-A438 HydrophobicContact CB-CB 4.06Å; F436-A438 HydrophobicContact CD2-CB 4.42Å; F436-A438 HydrophobicContact CE2-CB 4.03Å; F436-A438 PolarHBondContact O-N 3.08Å
439S93.3Very high91.8Very high61 Ų6146.8 Ų46.843%0.42728%0.282SS..  trans-73.5167.6-178.1-62.30000112.1D57 N437D57-S439 WeakPolarHBondContact CB-O 3.33Å; D57-S439 PolarHBondContact N-O 2.95Å; N437-S439 PolarHBondContact OD1-OG 3.35Å
440D93.8Very high90.6Very high60 Ų6050.3 Ų50.332%0.32130%0.297SS..EExtended strand (participates in β ladder)trans-79134.7173.9-74.311000110.9K23 V54 Y442K23-D440 IonicContact NZ-OD1 3.71Å; K23-D440 PolarHBondContact NZ-OD1 3.06Å; K23-D440 IonicContact NZ-OD2 2.7Å; K23-D440 PolarHBondContact NZ-OD2 3.48Å; V54-D440 HydrophobicContact CG1-CB 3.71Å; D440-Y442 HydrophobicContact CB-CE1 4.24Å
441V94.3Very high89.4Confident31 Ų3149.8 Ų49.819%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-113.5123170.7178.60000108.1I55 D57 I448I55-V441 HydrophobicContact CD1-CB 4.41Å; I55-V441 HydrophobicContact CD1-CG1 4.18Å; I55-V441 HydrophobicContact CG1-CB 3.74Å; I55-V441 HydrophobicContact CG1-CG1 4Å; I55-V441 PolarHBondContact N-O 3.45Å; I55-V441 PolarHBondContact O-N 2.97Å; D57-V441 HydrophobicContact CB-CG2 4.04Å; V441-I448 HydrophobicContact CG1-CG2 4.06Å
442Y93.9Very high88.4Confident32 Ų3248 Ų4813%0.12530%0.295CS..EExtended strand (participates in β ladder)trans-89.7140.7-177.8-53.3-64.4000111.7L48 I51 V54 D440 G449 I451 L456L48-Y442 HydrophobicContact CD1-CD1 4.39Å; L48-Y442 HydrophobicContact CD1-CE1 3.88Å; L48-Y442 HydrophobicContact CD2-CE1 3.73Å; L48-Y442 HydrophobicContact CG-CE1 4.46Å; I51-Y442 HydrophobicContact CD1-CG 4.24Å; I51-Y442 HydrophobicContact CG1-CD1 4.33Å; I51-Y442 HydrophobicContact CG1-CG 4.43Å; I51-Y442 HydrophobicContact CG2-CD1 4.24Å; V54-Y442 HydrophobicContact CG1-CD1 4.33Å; V54-Y442 HydrophobicContact CG1-CE1 4.4Å; V54-Y442 HydrophobicContact CG2-CD1 4.08Å; V54-Y442 HydrophobicContact CG2-CE1 4.33Å; D440-Y442 HydrophobicContact CB-CE1 4.24Å; Y442-G449 PolarHBondContact O-N 3.24Å; Y442-I451 WeakPolarHBondContact CD2-O 3.43Å; Y442-L456 HydrophobicContact CD2-CD1 3.89Å; Y442-L456 HydrophobicContact CE1-CD1 4.31Å; Y442-L456 HydrophobicContact CE2-CD1 3.5Å; Y442-L456 VanDerWaalsContact CE2-CD1 3.5Å; Y442-L456 HydrophobicContact CG-CD1 4.43Å
443V89.9Confident87.4Confident1 Ų147.7 Ų47.71%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-116.7130.7175.9-1770000109.2D52 Y53 I55 Y86 G447D52-V443 PolarHBondContact N-O 2.92Å; Y53-V443 PolarHBondContact N-O 3.5Å; Y53-V443 PolarHBondContact O-N 3.3Å; I55-V443 HydrophobicContact CD1-CG2 4.02Å; I55-V443 HydrophobicContact CG1-CG2 4.24Å; I55-V443 HydrophobicContact CG2-CG2 4.14Å; Y86-V443 HydrophobicContact CD1-CG2 4.28Å; Y86-V443 HydrophobicContact CE1-CG1 3.84Å; Y86-V443 HydrophobicContact CE1-CG2 3.88Å; V443-G447 WeakPolarHBondContact CA-O 3.29Å
444D87.8Confident86.7Confident51 Ų5151.8 Ų51.827%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-141111.4174.9176.7-4.8000108.5G50 S446 G447 I451 R459G50-D444 VanDerWaalsContact O-CG 3.24Å; D444-S446 PolarHBondContact O-N 3.45Å; D444-S446 VanDerWaalsContact O-N 3.11Å; D444-G447 PolarHBondContact N-O 3.07Å; D444-G447 VanDerWaalsContact N-O 3.11Å; D444-G447 PolarHBondContact O-N 3.39Å; D444-I451 HydrophobicContact CB-CD1 3.18Å; D444-I451 HydrophobicContact CB-CG1 4.39Å; D444-I451 WeakPolarHBondContact OD2-CD1 3.4Å; D444-R459 IonicContact OD2-CZ 2.81Å; D444-R459 IonicContact OD2-NH1 3.98Å; D444-R459 PolarHBondContact OD2-NH1 3.45Å; D444-R459 IonicContact OD2-NH2 3.63Å; D444-R459 PolarHBondContact OD2-NH2 2.95Å
445G83.6Confident86.2Confident54 Ų5454.1 Ų54.156%0.55734%0.339SS*.THydrogen-bonded Turntrans56.1-114-172.300000112D52D52-G445 PolarHBondContact OD2-N 3.46Å
446S80.8Confident85.6Confident123 Ų12350.9 Ų50.986%0.8633%0.325SS*.THydrogen-bonded Turntrans-91.1-13.8177.358.80000113.9D444D444-S446 PolarHBondContact O-N 3.45Å; D444-S446 VanDerWaalsContact O-N 3.11Å
447G80.4Confident85.1Confident13 Ų1356.9 Ų56.913%0.13435%0.347CS..EExtended strand (participates in β ladder)trans-79.6128.3-176.500000111.1V443 D444 D450V443-G447 WeakPolarHBondContact CA-O 3.29Å; D444-G447 PolarHBondContact N-O 3.07Å; D444-G447 VanDerWaalsContact N-O 3.11Å; D444-G447 PolarHBondContact O-N 3.39Å; G447-D450 WeakPolarHBondContact CA-OD2 3.46Å
448I84.4Confident84.8Confident51 Ų5155.9 Ų55.926%0.26234%0.341SS..EExtended strand (participates in β ladder)trans-120.7112.3178.7-59.5162.6000107.4I55 Y86 K89 V441 D450I55-I448 HydrophobicContact CD1-CG2 3.99Å; Y86-I448 HydrophobicContact CD1-CD1 3.64Å; Y86-I448 HydrophobicContact CD1-CG1 3.95Å; Y86-I448 HydrophobicContact CE1-CD1 4.02Å; Y86-I448 HydrophobicContact CE1-CG1 4.05Å; K89-I448 HydrophobicContact CD-CD1 4.15Å; V441-I448 HydrophobicContact CG1-CG2 4.06Å; I448-D450 PolarHBondContact O-N 3.09Å
449G78.7Confident84.6Confident42 Ų4258.7 Ų58.743%0.43335%0.349SS..SBendtrans72.50.2-179.200000114.9Y442 I451Y442-G449 PolarHBondContact O-N 3.24Å; G449-I451 PolarHBondContact O-N 2.95Å
450D72.8Confident84.4Confident124 Ų12460.2 Ų60.266%0.66335%0.346SS*.  trans-68.1-17.7175.3-63-37.5000112.3G447 I448G447-D450 WeakPolarHBondContact CA-OD2 3.46Å; I448-D450 PolarHBondContact O-N 3.09Å
451I72.8Confident84.1Confident16 Ų1660 Ų608%0.08234%0.344CS..  trans-9998.7179.7-56.2-175.2000108.4I51 Y442 D444 G449 V455 L456I51-I451 HydrophobicContact CD1-CB 4.28Å; I51-I451 HydrophobicContact CD1-CD1 3.68Å; I51-I451 HydrophobicContact CD1-CG2 3.9Å; Y442-I451 WeakPolarHBondContact CD2-O 3.43Å; D444-I451 HydrophobicContact CB-CD1 3.18Å; D444-I451 HydrophobicContact CB-CG1 4.39Å; D444-I451 WeakPolarHBondContact OD2-CD1 3.4Å; G449-I451 PolarHBondContact O-N 2.95Å; I451-V455 HydrophobicContact CG2-CB 3.84Å; I451-V455 HydrophobicContact CG2-CG1 3.89Å; I451-L456 HydrophobicContact CG2-CD2 4.21Å; I451-L456 HydrophobicContact CG2-CG 3.98Å
452G75.3Confident84.1Confident35 Ų3562 Ų6236%0.36135%0.353SS..  trans-79168.9168.400000112.2V454 V455 L456G452-V454 PolarHBondContact O-N 3.14Å; G452-V455 PolarHBondContact O-N 2.7Å; G452-L456 PolarHBondContact O-N 3.1Å
453N76.8Confident83.9Confident114 Ų11464.2 Ų64.261%0.6137%0.373SS*.Hα-helixtrans-53.9-25173-72.1-24.9000113.3R457N453-R457 WeakPolarHBondContact O-CB 3.19Å; N453-R457 PolarHBondContact O-N 3.13Å
454V81.7Confident83.9Confident87 Ų8769.8 Ų69.853%0.52740%0.399SS..Hα-helixtrans-65.3-45.2175.1-175.50000111.5G452 L456 R457 D458G452-V454 PolarHBondContact O-N 3.14Å; V454-L456 VanDerWaalsContact C-N 3.33Å; V454-L456 PolarHBondContact O-N 2.93Å; V454-R457 WeakPolarHBondContact O-CB 3.36Å; V454-R457 PolarHBondContact O-N 3.47Å; V454-D458 VanDerWaalsContact O-CG 3.23Å; V454-D458 PolarHBondContact O-N 3.34Å
455V85.7Confident84.1Confident57 Ų5769.8 Ų69.835%0.34540%0.397SS..Hα-helixtrans-65.7-40.3179.7177.40000110.4I451 G452 D458 R459I451-V455 HydrophobicContact CG2-CB 3.84Å; I451-V455 HydrophobicContact CG2-CG1 3.89Å; G452-V455 PolarHBondContact O-N 2.7Å; V455-D458 PolarHBondContact O-N 3.39Å; V455-R459 WeakPolarHBondContact O-CG 3.42Å; V455-R459 PolarHBondContact O-N 3.43Å
456L85.3Confident84.5Confident11 Ų1167.3 Ų67.36%0.05837%0.372CS..Hα-helixtrans-63.2-42.9175-69.9171.7000112.2L48 I51 Y442 I451 G452 V454 D458 R459 R460L48-L456 HydrophobicContact CD2-CD1 3.73Å; I51-L456 HydrophobicContact CD1-CD2 3.9Å; I51-L456 HydrophobicContact CG1-CD2 3.73Å; Y442-L456 HydrophobicContact CD2-CD1 3.89Å; Y442-L456 HydrophobicContact CE1-CD1 4.31Å; Y442-L456 HydrophobicContact CE2-CD1 3.5Å; Y442-L456 VanDerWaalsContact CE2-CD1 3.5Å; Y442-L456 HydrophobicContact CG-CD1 4.43Å; I451-L456 HydrophobicContact CG2-CD2 4.21Å; I451-L456 HydrophobicContact CG2-CG 3.98Å; G452-L456 PolarHBondContact O-N 3.1Å; V454-L456 VanDerWaalsContact C-N 3.33Å; V454-L456 PolarHBondContact O-N 2.93Å; L456-D458 VanDerWaalsContact C-N 3.33Å; L456-D458 PolarHBondContact O-N 2.83Å; L456-R459 PolarHBondContact O-N 2.81Å; L456-R460 PolarHBondContact O-N 3.14Å
457R85.9Confident85.1Confident144 Ų14463.4 Ų63.454%0.54334%0.341SS..Hα-helixtrans-60.1-45.1174.4-173.6-16668.4-171.90.1111N453 V454 R460 I461N453-R457 WeakPolarHBondContact O-CB 3.19Å; N453-R457 PolarHBondContact O-N 3.13Å; V454-R457 WeakPolarHBondContact O-CB 3.36Å; V454-R457 PolarHBondContact O-N 3.47Å; R457-R460 PolarHBondContact O-N 3.12Å; R457-I461 HydrophobicContact CG-CD1 4.13Å; R457-I461 WeakPolarHBondContact O-CG1 3.4Å; R457-I461 PolarHBondContact O-N 2.82Å
458D88.8Confident85.8Confident53 Ų5362.9 Ų62.928%0.28334%0.335SS..Hα-helixtrans-65.2-40.1179.5-66.2-5.8000110.9V454 V455 L456 R460 I461 L462 M548V454-D458 VanDerWaalsContact O-CG 3.23Å; V454-D458 PolarHBondContact O-N 3.34Å; V455-D458 PolarHBondContact O-N 3.39Å; L456-D458 VanDerWaalsContact C-N 3.33Å; L456-D458 PolarHBondContact O-N 2.83Å; D458-R460 VanDerWaalsContact C-N 3.35Å; D458-R460 PolarHBondContact O-N 2.95Å; D458-I461 PolarHBondContact O-N 3.5Å; D458-L462 WeakPolarHBondContact O-CB 3.48Å; D458-L462 WeakPolarHBondContact O-CG 3.34Å; D458-L462 PolarHBondContact O-N 3.02Å; D458-M548 HydrophobicContact CB-CE 4.09Å
459R90.1Very high86.3Confident72 Ų7262.1 Ų62.127%0.27233%0.332SS..Hα-helixtrans-58.5-43.5171.8-74.5-179.6179.4-178.8-2.4112.1L49 G50 D444 V455 L456 L462 S463L49-R459 HydrophobicContact CB-CB 4.13Å; L49-R459 HydrophobicContact CD1-CB 4.28Å; L49-R459 WeakPolarHBondContact O-CD 3.4Å; L49-R459 PolarHBondContact O-NH1 3.46Å; G50-R459 PolarHBondContact O-NH1 2.84Å; D444-R459 IonicContact OD2-CZ 2.81Å; D444-R459 IonicContact OD2-NH1 3.98Å; D444-R459 PolarHBondContact OD2-NH1 3.45Å; D444-R459 IonicContact OD2-NH2 3.63Å; D444-R459 PolarHBondContact OD2-NH2 2.95Å; V455-R459 WeakPolarHBondContact O-CG 3.42Å; V455-R459 PolarHBondContact O-N 3.43Å; L456-R459 PolarHBondContact O-N 2.81Å; R459-L462 PolarHBondContact O-N 2.81Å; R459-S463 PolarHBondContact O-N 3.25Å; R459-S463 PolarHBondContact O-OG 3.28Å
460R88.9Confident87Confident94 Ų9460.1 Ų60.136%0.35531%0.311SS..Hα-helixtrans-63.3-47.9178.9-170.9175.4-61.3179.7-1.9112D47 L49 L456 R457 D458 L462 S463 E464D47-R460 PolarHBondContact O-NH2 2.92Å; D47-R460 IonicContact OD2-CZ 3.74Å; D47-R460 IonicContact OD2-NH2 3.6Å; D47-R460 PolarHBondContact OD2-NH2 3.41Å; L49-R460 HydrophobicContact CD1-CB 4.32Å; L456-R460 PolarHBondContact O-N 3.14Å; R457-R460 PolarHBondContact O-N 3.12Å; D458-R460 VanDerWaalsContact C-N 3.35Å; D458-R460 PolarHBondContact O-N 2.95Å; R460-L462 VanDerWaalsContact C-N 3.3Å; R460-L462 PolarHBondContact O-N 2.94Å; R460-S463 WeakPolarHBondContact CA-OG 3.5Å; R460-S463 PolarHBondContact O-N 2.98Å; R460-S463 PolarHBondContact O-OG 2.76Å; R460-E464 WeakPolarHBondContact O-CG 3.45Å; R460-E464 PolarHBondContact O-N 3.27Å
461I88.3Confident88.1Confident54 Ų5455.6 Ų55.628%0.27729%0.288SS..Hα-helixtrans-59.9-44.6176.4-63.6166000110R457 D458 S463 E464 E465 G466 M548R457-I461 HydrophobicContact CG-CD1 4.13Å; R457-I461 WeakPolarHBondContact O-CG1 3.4Å; R457-I461 PolarHBondContact O-N 2.82Å; D458-I461 PolarHBondContact O-N 3.5Å; I461-S463 VanDerWaalsContact C-N 3.33Å; I461-S463 PolarHBondContact O-N 2.81Å; I461-E464 PolarHBondContact O-N 2.86Å; I461-E465 HydrophobicContact CG2-CB 4.41Å; I461-E465 WeakPolarHBondContact O-CB 3.34Å; I461-E465 PolarHBondContact O-N 3.44Å; I461-G466 PolarHBondContact O-N 2.91Å; I461-M548 HydrophobicContact CB-CE 3.98Å; I461-M548 HydrophobicContact CD1-CE 4.19Å; I461-M548 HydrophobicContact CG2-CB 3.94Å; I461-M548 HydrophobicContact CG2-CE 3.9Å
462L93.2Very high89.2Confident75 Ų7554.9 Ų54.939%0.39328%0.284SS..Hα-helixtrans-62.8-36.3177.9-71.7169.3000113.1D458 R459 R460 G466 L467 M548D458-L462 WeakPolarHBondContact O-CB 3.48Å; D458-L462 WeakPolarHBondContact O-CG 3.34Å; D458-L462 PolarHBondContact O-N 3.02Å; R459-L462 PolarHBondContact O-N 2.81Å; R460-L462 VanDerWaalsContact C-N 3.3Å; R460-L462 PolarHBondContact O-N 2.94Å; L462-G466 WeakPolarHBondContact O-CA 3.28Å; L462-G466 PolarHBondContact O-N 3.16Å; L462-L467 HydrophobicContact CD2-CB 3.74Å; L462-L467 HydrophobicContact CD2-CD1 4.22Å; L462-L467 HydrophobicContact CD2-CG 4.43Å; L462-M548 HydrophobicContact CD2-SD 4.18Å; L462-M548 HydrophobicContact CG-CE 4.46Å; L462-M548 HydrophobicContact CG-SD 4.44Å
463S90.7Very high90.2Very high77 Ų7754.8 Ų54.854%0.53828%0.277SS..Hα-helixtrans-74.2-33.2178.757.70000113.8L49 R459 R460 I461L49-S463 VanDerWaalsContact CD1-OG 3.28Å; L49-S463 WeakPolarHBondContact CD1-OG 3.31Å; R459-S463 PolarHBondContact O-N 3.25Å; R459-S463 PolarHBondContact O-OG 3.28Å; R460-S463 WeakPolarHBondContact CA-OG 3.5Å; R460-S463 PolarHBondContact O-N 2.98Å; R460-S463 PolarHBondContact O-OG 2.76Å; I461-S463 VanDerWaalsContact C-N 3.33Å; I461-S463 PolarHBondContact O-N 2.81Å
464E90.4Very high91Very high119 Ų11949.4 Ų49.456%0.55625%0.248SC*.Hα-helixtrans-90.9-45.6-175.8-67.5174.6176.800111.9R460 I461 R545R460-E464 WeakPolarHBondContact O-CG 3.45Å; R460-E464 PolarHBondContact O-N 3.27Å; I461-E464 PolarHBondContact O-N 2.86Å; E464-R545 PolarHBondContact O-NH2 2.73Å
465E91.2Very high91.6Very high50 Ų5046.1 Ų46.123%0.23423%0.227CC..THydrogen-bonded Turntrans-107.8-20.9-168.8-60.5-66168.100113.2I461 F492 R545 H546I461-E465 HydrophobicContact CG2-CB 4.41Å; I461-E465 WeakPolarHBondContact O-CB 3.34Å; I461-E465 PolarHBondContact O-N 3.44Å; E465-F492 WeakPolarHBondContact O-CD2 3.5Å; E465-R545 PolarHBondContact O-NH2 3.01Å; E465-R545 WeakPolarHBondContact OE2-CB 3.34Å; E465-R545 IonicContact OE2-NE 3.53Å; E465-H546 VanDerWaalsContact CB-O 3.23Å; E465-H546 WeakPolarHBondContact CB-O 3.45Å; E465-H546 WeakPolarHBondContact CG-O 3.44Å; E465-H546 PolarHBondContact OE2-N 3.48Å
466G92.5Very high91.8Very high2 Ų245.9 Ų45.92%0.02122%0.224CC..  trans74.5-169.9-173.700000113.4I461 L462 M548I461-G466 PolarHBondContact O-N 2.91Å; L462-G466 WeakPolarHBondContact O-CA 3.28Å; L462-G466 PolarHBondContact O-N 3.16Å; G466-M548 PolarHBondContact O-N 3.2Å
467L94.2Very high91.9Very high41 Ų4153.6 Ų53.622%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-127.1137.2-172.3174.574.4000110.5L462 S489 R490 M548 L550L462-L467 HydrophobicContact CD2-CB 3.74Å; L462-L467 HydrophobicContact CD2-CD1 4.22Å; L462-L467 HydrophobicContact CD2-CG 4.43Å; L467-S489 WeakPolarHBondContact O-CA 3.15Å; L467-R490 PolarHBondContact N-O 2.7Å; L467-R490 PolarHBondContact O-N 3.39Å; L467-M548 WeakPolarHBondContact CA-O 3.46Å; L467-M548 HydrophobicContact CD1-CB 4.41Å; L467-M548 HydrophobicContact CD1-CG 4.38Å; L467-L550 HydrophobicContact CD1-CB 4.19Å; L467-L550 HydrophobicContact CD1-CD1 4.1Å
468V93.9Very high92.1Very high2 Ų253.4 Ų53.41%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-121.7111.6165.3178.40000109.1I487 L488 F492 L535 L539 P547 M548 I549 L550V468-I487 HydrophobicContact CG1-CG2 3.67Å; V468-L488 CarbonylContact C-O 3.55Å; V468-L488 WeakPolarHBondContact CA-O 3.44Å; V468-F492 HydrophobicContact CG2-CB 4.19Å; V468-F492 HydrophobicContact CG2-CD1 3.37Å; V468-F492 HydrophobicContact CG2-CE1 4Å; V468-F492 HydrophobicContact CG2-CG 3.96Å; V468-L535 HydrophobicContact CG1-CD2 3.98Å; V468-L539 HydrophobicContact CB-CD1 4.33Å; V468-L539 HydrophobicContact CG1-CD1 4.29Å; V468-L539 HydrophobicContact CG2-CD1 3.96Å; V468-P547 HydrophobicContact CG2-CB 3.88Å; V468-P547 HydrophobicContact CG2-CG 4Å; V468-M548 PolarHBondContact N-O 3.17Å; V468-I549 HydrophobicContact CB-CG1 4.47Å; V468-I549 CarbonylContact O-C 3.6Å; V468-I549 VanDerWaalsContact O-CA 3.31Å; V468-I549 WeakPolarHBondContact O-CA 3.34Å; V468-L550 PolarHBondContact O-N 2.9Å
469L94.6Very high92.3Very high36 Ų3655.2 Ų55.219%0.18827%0.268CS..EExtended strand (participates in β ladder)trans-87.2127.7171-155.885.4000108.3V471 I487 L488 L550 M552L469-V471 HydrophobicContact CD2-CG2 3.66Å; L469-V471 HydrophobicContact CG-CG2 4.02Å; L469-I487 WeakPolarHBondContact O-CA 3.44Å; L469-L488 HydrophobicContact CB-CB 4.13Å; L469-L488 HydrophobicContact CD2-CD1 4.01Å; L469-L488 PolarHBondContact N-O 3.45Å; L469-L488 PolarHBondContact O-N 3.24Å; L469-L550 HydrophobicContact CD1-CB 3.75Å; L469-L550 HydrophobicContact CD1-CD2 4.17Å; L469-M552 HydrophobicContact CD1-CE 4.06Å; L469-M552 HydrophobicContact CD2-CE 3.7Å; L469-M552 HydrophobicContact CG-CE 4.13Å
470S94.1Very high92.4Very high0 Ų056.9 Ų56.90%028%0.279CS..EExtended strand (participates in β ladder)trans-122118.6175.135.30000109.2D486 M531 L550 P551 M552S470-D486 CarbonylContact C-O 3.49Å; S470-D486 WeakPolarHBondContact CA-O 3.42Å; S470-M531 VanDerWaalsContact O-CE 3.29Å; S470-M531 WeakPolarHBondContact O-CE 3.35Å; S470-L550 PolarHBondContact N-O 2.71Å; S470-P551 CarbonylContact O-C 3.42Å; S470-P551 WeakPolarHBondContact O-CA 3.19Å; S470-M552 PolarHBondContact O-N 3.48Å
471V96.3Very high92.7Very high28 Ų2854.2 Ų54.217%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-122.3132.5-169.4-175.30000109.8L469 P485 D486 M552L469-V471 HydrophobicContact CD2-CG2 3.66Å; L469-V471 HydrophobicContact CG-CG2 4.02Å; V471-P485 CarbonylContact O-C 3.58Å; V471-P485 VanDerWaalsContact O-CA 3.23Å; V471-P485 WeakPolarHBondContact O-CA 3.25Å; V471-D486 PolarHBondContact N-O 3.29Å; V471-D486 PolarHBondContact O-N 2.95Å; V471-M552 WeakPolarHBondContact CA-O 3.45Å; V471-M552 HydrophobicContact CG1-CB 4.43Å; V471-M552 HydrophobicContact CG2-CB 4.24Å; V471-M552 HydrophobicContact CG2-CE 4.14Å
472A96.2Very high93Very high1 Ų155.7 Ų55.71%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-140.8144171.400000111.3V474 P485 L513 M552 I553 M554A472-V474 HydrophobicContact CB-CG1 4.38Å; A472-P485 HydrophobicContact CB-CB 4.11Å; A472-L513 HydrophobicContact CB-CD1 3.67Å; A472-M552 PolarHBondContact N-O 2.66Å; A472-I553 HydrophobicContact CB-CD1 4.32Å; A472-I553 CarbonylContact O-C 3.53Å; A472-I553 WeakPolarHBondContact O-CA 3.31Å; A472-M554 PolarHBondContact O-N 2.87Å
473T95.5Very high93Very high34 Ų3454.5 Ų54.521%0.20928%0.28CS..EExtended strand (participates in β ladder)trans-101.7125.1170-51.40000108.6I481 L482 A483 M554T473-I481 CarbonylContact O-C 3.56Å; T473-L482 HydrophobicContact CG2-CB 4.1Å; T473-L482 HydrophobicContact CG2-CD1 4.22Å; T473-L482 PolarHBondContact O-N 2.95Å; T473-A483 PolarHBondContact N-O 3.18Å; T473-A483 PolarHBondContact O-N 3.46Å; T473-A483 VanDerWaalsContact O-N 3.15Å; T473-M554 CarbonylContact C-O 3.55Å; T473-M554 VanDerWaalsContact CA-O 3.24Å; T473-M554 WeakPolarHBondContact CA-O 3.33Å; T473-M554 HydrophobicContact CG2-CB 4.14Å
474V94.4Very high93.1Very high0 Ų052.4 Ų52.40%027%0.27CS..EExtended strand (participates in β ladder)trans-134.7145.6-173.4-60.70000111.4A472 I476 E480 I481 L517 L527 I553 M554 T555 P556A472-V474 HydrophobicContact CB-CG1 4.38Å; V474-I476 HydrophobicContact CG2-CG1 4.13Å; V474-E480 CarbonylContact C-O 3.57Å; V474-E480 VanDerWaalsContact CA-O 3.31Å; V474-E480 WeakPolarHBondContact CA-O 3.44Å; V474-I481 HydrophobicContact CG1-CB 4.5Å; V474-I481 HydrophobicContact CG1-CG1 4.17Å; V474-I481 HydrophobicContact CG1-CG2 4.42Å; V474-L517 HydrophobicContact CG1-CD1 4.43Å; V474-L527 HydrophobicContact CG2-CD1 3.97Å; V474-I553 HydrophobicContact CG2-CG2 3.45Å; V474-I553 VanDerWaalsContact CG2-CG2 3.45Å; V474-M554 PolarHBondContact N-O 3.27Å; V474-T555 HydrophobicContact CG2-CG2 4.23Å; V474-T555 WeakPolarHBondContact O-CA 3.32Å; V474-P556 VanDerWaalsContact O-CD 3.29Å; V474-P556 WeakPolarHBondContact O-CD 3.37Å
475D92.9Very high93.2Very high18 Ų1847 Ų4710%0.09625%0.246CC..EExtended strand (participates in β ladder)trans-102.3105.1166.3-173.4-34.5000107.8E477 K478 K479 E480 L482D475-E477 PolarHBondContact OD1-N 3.05Å; D475-E477 VanDerWaalsContact OD1-N 3.12Å; D475-K478 HydrophobicContact CB-CB 4.19Å; D475-K478 PolarHBondContact OD1-N 2.9Å; D475-K478 VanDerWaalsContact OD2-CD 3.32Å; D475-K478 WeakPolarHBondContact OD2-CD 3.3Å; D475-K478 WeakPolarHBondContact OD2-CE 3.35Å; D475-K478 WeakPolarHBondContact OD2-CG 3.41Å; D475-K478 IonicContact OD2-NZ 2.79Å; D475-K478 PolarHBondContact OD2-NZ 2.84Å; D475-K479 WeakPolarHBondContact O-CA 3.43Å; D475-K479 PolarHBondContact O-N 2.85Å; D475-E480 PolarHBondContact N-O 3.03Å; D475-E480 PolarHBondContact O-N 2.79Å; D475-L482 HydrophobicContact CB-CD1 4.11Å; D475-L482 HydrophobicContact CB-CD2 4.29Å; D475-L482 HydrophobicContact CB-CG 4.17Å
476I90.2Very high93.3Very high52 Ų5248.8 Ų48.827%0.26726%0.257SS..THydrogen-bonded Turntrans-69.9-34.7-175.6-59.5178.3000111V474 K479 L527 T555V474-I476 HydrophobicContact CG2-CG1 4.13Å; I476-K479 PolarHBondContact O-N 3.33Å; I476-L527 HydrophobicContact CD1-CD1 4.21Å; I476-L527 HydrophobicContact CG1-CD1 4.2Å; I476-T555 HydrophobicContact CD1-CG2 3.99Å; I476-T555 HydrophobicContact CG1-CG2 4.16Å
477E88.1Confident93.3Very high173 Ų17349.4 Ų49.481%0.80826%0.26SS*.THydrogen-bonded Turntrans-70-44.2180-70.3-161.1163.900111.4D475 K479D475-E477 PolarHBondContact OD1-N 3.05Å; D475-E477 VanDerWaalsContact OD1-N 3.12Å; E477-K479 VanDerWaalsContact C-N 3.27Å; E477-K479 PolarHBondContact O-N 3.49Å
478K90.5Very high93.2Very high141 Ų14151.9 Ų51.961%0.61327%0.273SS*.THydrogen-bonded Turntrans-80.2-9.4176.6-61.5-172.7-161.8113.70113.4D475 E480D475-K478 HydrophobicContact CB-CB 4.19Å; D475-K478 PolarHBondContact OD1-N 2.9Å; D475-K478 VanDerWaalsContact OD2-CD 3.32Å; D475-K478 WeakPolarHBondContact OD2-CD 3.3Å; D475-K478 WeakPolarHBondContact OD2-CE 3.35Å; D475-K478 WeakPolarHBondContact OD2-CG 3.41Å; D475-K478 IonicContact OD2-NZ 2.79Å; D475-K478 PolarHBondContact OD2-NZ 2.84Å; K478-E480 VanDerWaalsContact C-N 3.28Å; K478-E480 HydrophobicContact CB-CB 4.49Å; K478-E480 HydrophobicContact CB-CG 4.39Å; K478-E480 PolarHBondContact O-N 2.86Å
479K92Very high93Very high90 Ų9052 Ų5239%0.39127%0.274SS..THydrogen-bonded Turntrans57.639.9-175.2-56.9-176.1169-160.60112.7D475 I476 E477 L517 N518D475-K479 WeakPolarHBondContact O-CA 3.43Å; D475-K479 PolarHBondContact O-N 2.85Å; I476-K479 PolarHBondContact O-N 3.33Å; E477-K479 VanDerWaalsContact C-N 3.27Å; E477-K479 PolarHBondContact O-N 3.49Å; K479-L517 HydrophobicContact CB-CB 4.36Å; K479-L517 VanDerWaalsContact CD-O 3.28Å; K479-L517 WeakPolarHBondContact CD-O 3.49Å; K479-L517 WeakPolarHBondContact CE-O 3.34Å; K479-L517 WeakPolarHBondContact CG-O 3.35Å; K479-N518 PolarHBondContact NZ-O 2.56Å
480E92.7Very high92.8Very high108 Ų10858.9 Ų58.951%0.50530%0.297SS..EExtended strand (participates in β ladder)trans-116.7146.9-177.1-78-172.1153.500112.4V474 D475 K478V474-E480 CarbonylContact C-O 3.57Å; V474-E480 VanDerWaalsContact CA-O 3.31Å; V474-E480 WeakPolarHBondContact CA-O 3.44Å; D475-E480 PolarHBondContact N-O 3.03Å; D475-E480 PolarHBondContact O-N 2.79Å; K478-E480 VanDerWaalsContact C-N 3.28Å; K478-E480 HydrophobicContact CB-CB 4.49Å; K478-E480 HydrophobicContact CB-CG 4.39Å; K478-E480 PolarHBondContact O-N 2.86Å
481I94.4Very high92.4Very high37 Ų3762 Ų6219%0.1933%0.33CS..EExtended strand (participates in β ladder)trans-94.7111.7167.9-55.6172.5000106.4T473 V474 F510 L513 L517T473-I481 CarbonylContact O-C 3.56Å; V474-I481 HydrophobicContact CG1-CB 4.5Å; V474-I481 HydrophobicContact CG1-CG1 4.17Å; V474-I481 HydrophobicContact CG1-CG2 4.42Å; I481-F510 HydrophobicContact CB-CE2 4.27Å; I481-F510 HydrophobicContact CD1-CD2 3.7Å; I481-F510 HydrophobicContact CD1-CE2 3.7Å; I481-F510 HydrophobicContact CD1-CG 4.27Å; I481-F510 HydrophobicContact CD1-CZ 4.26Å; I481-F510 HydrophobicContact CG2-CE2 4.42Å; I481-L513 HydrophobicContact CD1-CB 3.73Å; I481-L513 HydrophobicContact CD1-CD1 4.45Å; I481-L513 HydrophobicContact CG1-CB 4.49Å; I481-L517 HydrophobicContact CD1-CD1 4.47Å; I481-L517 HydrophobicContact CG1-CD1 3.71Å
482L94.1Very high92Very high86 Ų8661.2 Ų61.245%0.4532%0.324SS..EExtended strand (participates in β ladder)trans-81.9-35.8-176.8-61.1177.8000112.2T473 D475 P556T473-L482 HydrophobicContact CG2-CB 4.1Å; T473-L482 HydrophobicContact CG2-CD1 4.22Å; T473-L482 PolarHBondContact O-N 2.95Å; D475-L482 HydrophobicContact CB-CD1 4.11Å; D475-L482 HydrophobicContact CB-CD2 4.29Å; D475-L482 HydrophobicContact CB-CG 4.17Å; L482-P556 HydrophobicContact CD1-CB 4.47Å; L482-P556 HydrophobicContact CD1-CG 3.87Å
483A94.1Very high91.3Very high50 Ų5062.6 Ų62.641%0.41333%0.332SS..EExtended strand (participates in β ladder)trans-153.4153.5177.100000111.4T473T473-A483 PolarHBondContact N-O 3.18Å; T473-A483 PolarHBondContact O-N 3.46Å; T473-A483 VanDerWaalsContact O-N 3.15Å
484G91.7Very high90.3Very high32 Ų3267.3 Ų67.333%0.3335%0.347SS..EExtended strand (participates in β ladder)trans72.8-160.3-174.700000113.1
485P94.2Very high89.2Confident6 Ų670.6 Ų70.64%0.03936%0.363CS..EExtended strand (participates in β ladder)cis-72.9133.83.626.1-30.2000113.5V471 A472 Q506 L509 F510 L513V471-P485 CarbonylContact O-C 3.58Å; V471-P485 VanDerWaalsContact O-CA 3.23Å; V471-P485 WeakPolarHBondContact O-CA 3.25Å; A472-P485 HydrophobicContact CB-CB 4.11Å; P485-Q506 WeakPolarHBondContact O-CG 3.46Å; P485-Q506 PolarHBondContact O-NE2 2.92Å; P485-L509 HydrophobicContact CB-CB 3.88Å; P485-L509 HydrophobicContact CB-CD1 4.13Å; P485-L509 HydrophobicContact CG-CB 3.55Å; P485-F510 HydrophobicContact CG-CB 4.07Å; P485-L513 HydrophobicContact CB-CD1 3.99Å; P485-L513 HydrophobicContact CG-CD1 4.07Å
486D93.6Very high88Confident88 Ų8880 Ų8047%0.47140%0.397SS..EExtended strand (participates in β ladder)trans-103.8140.3174.9-70.9-41000111.3S470 V471 Q506S470-D486 CarbonylContact C-O 3.49Å; S470-D486 WeakPolarHBondContact CA-O 3.42Å; V471-D486 PolarHBondContact N-O 3.29Å; V471-D486 PolarHBondContact O-N 2.95Å; D486-Q506 PolarHBondContact OD1-NE2 2.78Å
487I92.4Very high87.4Confident15 Ų1585.4 Ų85.48%0.07742%0.421CS..EExtended strand (participates in β ladder)trans-112.5127177-63178.3000109.1V468 L469 I502 Q506 L509 L535V468-I487 HydrophobicContact CG1-CG2 3.67Å; L469-I487 WeakPolarHBondContact O-CA 3.44Å; I487-I502 HydrophobicContact CB-CG2 4.15Å; I487-Q506 HydrophobicContact CB-CG 4.47Å; I487-Q506 HydrophobicContact CD1-CG 3.97Å; I487-Q506 HydrophobicContact CG1-CG 3.95Å; I487-L509 HydrophobicContact CD1-CD1 3.72Å; I487-L509 HydrophobicContact CG1-CD1 3.64Å; I487-L535 HydrophobicContact CD1-CD1 3.94Å; I487-L535 HydrophobicContact CD1-CD2 4.37Å
488L91.2Very high87Confident93 Ų9378.1 Ų78.149%0.48739%0.39SS..EExtended strand (participates in β ladder)trans-120.9131172.2-66.4148.8000108.6V468 L469V468-L488 CarbonylContact C-O 3.55Å; V468-L488 WeakPolarHBondContact CA-O 3.44Å; L469-L488 HydrophobicContact CB-CB 4.13Å; L469-L488 HydrophobicContact CD2-CD1 4.01Å; L469-L488 PolarHBondContact N-O 3.45Å; L469-L488 PolarHBondContact O-N 3.24Å
489S90Very high86.6Confident5 Ų573 Ų734%0.03538%0.377CS..EExtended strand (participates in β ladder)trans-114.9145.7177.51580000112L467 V493 M495L467-S489 WeakPolarHBondContact O-CA 3.15Å; S489-V493 PolarHBondContact OG-N 2.84Å; S489-V493 PolarHBondContact OG-O 2.8Å; S489-M495 VanDerWaalsContact CB-SD 3.6Å
490R89.6Confident86.4Confident179 Ų17977.1 Ų77.168%0.67540%0.398SS*.EExtended strand (participates in β ladder)trans-138.7124.8168.9-74.8-68-178-934.4109.1L467 F492L467-R490 PolarHBondContact N-O 2.7Å; L467-R490 PolarHBondContact O-N 3.39Å; R490-F492 PolarHBondContact O-N 3.43Å
491G87Confident86.1Confident67 Ų6773.7 Ų73.769%0.69138%0.382SS*.SBendtrans70.7-8.9177.500000116.1R545G491-R545 PolarHBondContact O-NH2 2.88Å
492F86.6Confident85.9Confident11 Ų1172.8 Ų72.85%0.04838%0.378CS..SBendtrans-89-70.1178.5172.3-119.9000111.3E465 V468 R490 L539 T543 R545 P547E465-F492 WeakPolarHBondContact O-CD2 3.5Å; V468-F492 HydrophobicContact CG2-CB 4.19Å; V468-F492 HydrophobicContact CG2-CD1 3.37Å; V468-F492 HydrophobicContact CG2-CE1 4Å; V468-F492 HydrophobicContact CG2-CG 3.96Å; R490-F492 PolarHBondContact O-N 3.43Å; F492-L539 HydrophobicContact CE1-CB 4.48Å; F492-L539 HydrophobicContact CE1-CD1 4.14Å; F492-L539 HydrophobicContact CE1-CD2 3.84Å; F492-L539 HydrophobicContact CE1-CG 4.37Å; F492-L539 HydrophobicContact CZ-CB 4.05Å; F492-L539 HydrophobicContact CZ-CD1 4.41Å; F492-L539 HydrophobicContact CZ-CD2 4.18Å; F492-L539 HydrophobicContact CZ-CG 4.44Å; F492-T543 HydrophobicContact CE1-CG2 4.48Å; F492-T543 HydrophobicContact CE2-CG2 4.25Å; F492-T543 WeakPolarHBondContact CE2-OG1 3.31Å; F492-T543 HydrophobicContact CZ-CG2 3.68Å; F492-T543 WeakPolarHBondContact CZ-OG1 3.47Å; F492-R545 HydrophobicContact CD2-CB 4.46Å; F492-R545 HydrophobicContact CE2-CB 3.86Å; F492-R545 PolarHBondContact O-NH1 2.95Å; F492-P547 HydrophobicContact CB-CB 4.13Å; F492-P547 HydrophobicContact CD1-CB 4.27Å; F492-P547 HydrophobicContact CD1-CG 4.15Å; F492-P547 HydrophobicContact CD2-CB 3.57Å; F492-P547 HydrophobicContact CD2-CG 3.66Å; F492-P547 HydrophobicContact CE1-CG 4.07Å; F492-P547 HydrophobicContact CE2-CB 4.01Å; F492-P547 HydrophobicContact CE2-CG 3.54Å; F492-P547 HydrophobicContact CG-CB 3.72Å; F492-P547 HydrophobicContact CG-CG 3.97Å; F492-P547 HydrophobicContact CZ-CG 3.76Å
493V81.9Confident85.7Confident30 Ų3073.3 Ų73.318%0.18238%0.381CS..SBendtrans-128.4149.5178.2-670000112.4S489 M495 M501 T543S489-V493 PolarHBondContact OG-N 2.84Å; S489-V493 PolarHBondContact OG-O 2.8Å; V493-M495 PolarHBondContact O-N 2.89Å; V493-M495 VanDerWaalsContact O-N 3.09Å; V493-M501 HydrophobicContact CG1-CE 4.34Å; V493-M501 HydrophobicContact CG1-SD 4.37Å; V493-T543 HydrophobicContact CG1-CG2 4.11Å
494Y75.5Confident85.7Confident132 Ų13275.4 Ų75.452%0.51838%0.382SS..  trans-73.9100.5175.5-168.3-122.8000110R496 E497 S498Y494-R496 HydrophobicContact CD1-CB 4.1Å; Y494-R496 HydrophobicContact CE1-CB 3.71Å; Y494-R496 HydrophobicContact CE1-CG 4.36Å; Y494-R496 PolarHBondContact O-N 2.92Å; Y494-E497 HydrophobicContact CD1-CB 4.22Å; Y494-E497 HydrophobicContact CD1-CG 3.84Å; Y494-E497 HydrophobicContact CE1-CG 4.33Å; Y494-E497 PolarHBondContact O-N 2.85Å; Y494-S498 PolarHBondContact O-N 3.32Å; Y494-S498 VanDerWaalsContact O-N 3.15Å; Y494-S498 PolarHBondContact O-OG 3.26Å; Y494-S498 VanDerWaalsContact O-OG 3.1Å
495M70.4Confident85.8Confident69 Ų6973.9 Ų73.934%0.3437%0.366SS..THydrogen-bonded Turntrans-47.6-34.8-173.5-68.9-72.4-61.700114.4S489 V493 E497 I502S489-M495 VanDerWaalsContact CB-SD 3.6Å; V493-M495 PolarHBondContact O-N 2.89Å; V493-M495 VanDerWaalsContact O-N 3.09Å; M495-E497 VanDerWaalsContact C-N 3.31Å; M495-E497 PolarHBondContact O-N 3.47Å; M495-I502 HydrophobicContact CE-CD1 3.35Å; M495-I502 HydrophobicContact SD-CD1 3.19Å; M495-I502 WeakPolarHBondContact SD-CD1 3.3Å
496R68.4Low85.8Confident215 Ų21575.8 Ų75.881%0.81138%0.375SS*.THydrogen-bonded Turntrans-70.3-27-177.3-72.4-175.4175.7170.4-3.4113.5Y494Y494-R496 HydrophobicContact CD1-CB 4.1Å; Y494-R496 HydrophobicContact CE1-CB 3.71Å; Y494-R496 HydrophobicContact CE1-CG 4.36Å; Y494-R496 PolarHBondContact O-N 2.92Å
497E77Confident85.9Confident166 Ų16679.7 Ų79.778%0.77638%0.383SS*.THydrogen-bonded Turntrans-103.3-13.3-178.7-69.8174.7-179.200112.1Y494 M495Y494-E497 HydrophobicContact CD1-CB 4.22Å; Y494-E497 HydrophobicContact CD1-CG 3.84Å; Y494-E497 HydrophobicContact CE1-CG 4.33Å; Y494-E497 PolarHBondContact O-N 2.85Å; M495-E497 VanDerWaalsContact C-N 3.31Å; M495-E497 PolarHBondContact O-N 3.47Å
498S79.8Confident86.1Confident20 Ų2081.1 Ų81.114%0.1439%0.39CS..  trans-101.824.1-175.1-51.70000113.7Y494 E500 M501 I502Y494-S498 PolarHBondContact O-N 3.32Å; Y494-S498 VanDerWaalsContact O-N 3.15Å; Y494-S498 PolarHBondContact O-OG 3.26Å; Y494-S498 VanDerWaalsContact O-OG 3.1Å; S498-E500 PolarHBondContact O-N 2.78Å; S498-M501 PolarHBondContact O-N 3.04Å; S498-I502 WeakPolarHBondContact O-CG1 3.42Å; S498-I502 PolarHBondContact O-N 3.06Å
499G81.6Confident86.3Confident34 Ų3476.7 Ų76.735%0.35137%0.367SS..Hα-helixtrans-59.9-41-172.600000114.4I502 N503G499-I502 PolarHBondContact O-N 2.82Å; G499-N503 PolarHBondContact O-N 3.06Å; G499-N503 PolarHBondContact O-ND2 2.89Å
500E87.5Confident86.6Confident176 Ų17680.4 Ų80.482%0.82238%0.383SS*.Hα-helixtrans-64.5-48.6176.9-79.8-170.8154.500112.2S498 I502 N503 E504S498-E500 PolarHBondContact O-N 2.78Å; E500-I502 PolarHBondContact O-N 3.17Å; E500-N503 PolarHBondContact O-N 3.01Å; E500-E504 PolarHBondContact O-N 3.31Å
501M88Confident86.9Confident37 Ų3777.8 Ų77.818%0.18238%0.378CS..Hα-helixtrans-56.9-41.3178-173-160.8-50.500111.3V493 S498 G505 F538 L539 Q542 T543V493-M501 HydrophobicContact CG1-CE 4.34Å; V493-M501 HydrophobicContact CG1-SD 4.37Å; S498-M501 PolarHBondContact O-N 3.04Å; M501-G505 PolarHBondContact O-N 3.03Å; M501-F538 HydrophobicContact CG-CE1 4.02Å; M501-F538 HydrophobicContact CG-CZ 3.96Å; M501-F538 WeakPolarHBondContact O-CE1 3.21Å; M501-F538 WeakPolarHBondContact O-CZ 3.46Å; M501-L539 HydrophobicContact SD-CD2 4.4Å; M501-Q542 HydrophobicContact CE-CB 4.45Å; M501-Q542 HydrophobicContact CG-CB 4.24Å; M501-Q542 HydrophobicContact CG-CG 4.31Å; M501-Q542 HydrophobicContact SD-CB 4.27Å; M501-T543 HydrophobicContact CE-CG2 3.77Å; M501-T543 HydrophobicContact SD-CG2 3.82Å
502I88.5Confident87.3Confident18 Ų1875.3 Ų75.39%0.09235%0.351CS..Hα-helixtrans-68.2-46178.8-69.9-178.2000111.5I487 M495 S498 G499 E500 E504 G505 Q506I487-I502 HydrophobicContact CB-CG2 4.15Å; M495-I502 HydrophobicContact CE-CD1 3.35Å; M495-I502 HydrophobicContact SD-CD1 3.19Å; M495-I502 WeakPolarHBondContact SD-CD1 3.3Å; S498-I502 WeakPolarHBondContact O-CG1 3.42Å; S498-I502 PolarHBondContact O-N 3.06Å; G499-I502 PolarHBondContact O-N 2.82Å; E500-I502 PolarHBondContact O-N 3.17Å; I502-E504 VanDerWaalsContact C-N 3.28Å; I502-E504 PolarHBondContact O-N 2.9Å; I502-G505 PolarHBondContact O-N 3.44Å; I502-Q506 HydrophobicContact CG2-CG 4.46Å; I502-Q506 WeakPolarHBondContact O-CG 3.22Å; I502-Q506 PolarHBondContact O-N 3.25Å
503N91Very high87.7Confident97 Ų9774.8 Ų74.852%0.51935%0.348SS..Hα-helixtrans-60.1-40.3177.4-78.3-34.6000111.8G499 E500 Q506 R507G499-N503 PolarHBondContact O-N 3.06Å; G499-N503 PolarHBondContact O-ND2 2.89Å; E500-N503 PolarHBondContact O-N 3.01Å; N503-Q506 PolarHBondContact O-N 3.36Å; N503-R507 PolarHBondContact O-N 3.07Å
504E93.5Very high88.3Confident94 Ų9480.4 Ų80.444%0.43937%0.367SS..Hα-helixtrans-68.1-43176.3-16762.1-163.700111.2E500 I502 Q506 R507 I508 F538E500-E504 PolarHBondContact O-N 3.31Å; I502-E504 VanDerWaalsContact C-N 3.28Å; I502-E504 PolarHBondContact O-N 2.9Å; E504-Q506 VanDerWaalsContact C-N 3.28Å; E504-Q506 PolarHBondContact O-N 3.45Å; E504-R507 WeakPolarHBondContact O-CB 3.49Å; E504-R507 PolarHBondContact O-N 3.14Å; E504-R507 VanDerWaalsContact O-N 3.08Å; E504-I508 HydrophobicContact CG-CD1 4.35Å; E504-I508 WeakPolarHBondContact O-CG1 3.47Å; E504-I508 PolarHBondContact O-N 3.3Å; E504-F538 HydrophobicContact CB-CE2 4.3Å; E504-F538 HydrophobicContact CB-CZ 3.89Å; E504-F538 HydrophobicContact CG-CE2 3.97Å; E504-F538 HydrophobicContact CG-CZ 4.08Å
505G94Very high89.2Confident0 Ų081 Ų810%037%0.374CS..Hα-helixtrans-57.2-39.8172.100000112.8M501 I502 I508 L509M501-G505 PolarHBondContact O-N 3.03Å; I502-G505 PolarHBondContact O-N 3.44Å; G505-I508 PolarHBondContact O-N 2.99Å; G505-L509 WeakPolarHBondContact O-CB 3.36Å; G505-L509 WeakPolarHBondContact O-CG 3.43Å; G505-L509 PolarHBondContact O-N 3.46Å
506Q94.7Very high90.3Very high45 Ų4578.1 Ų78.121%0.2136%0.361CS..Hα-helixtrans-65.1-39.9174.6-72.5-178.3-62.900112P485 D486 I487 I502 N503 E504 L509 F510P485-Q506 WeakPolarHBondContact O-CG 3.46Å; P485-Q506 PolarHBondContact O-NE2 2.92Å; D486-Q506 PolarHBondContact OD1-NE2 2.78Å; I487-Q506 HydrophobicContact CB-CG 4.47Å; I487-Q506 HydrophobicContact CD1-CG 3.97Å; I487-Q506 HydrophobicContact CG1-CG 3.95Å; I502-Q506 HydrophobicContact CG2-CG 4.46Å; I502-Q506 WeakPolarHBondContact O-CG 3.22Å; I502-Q506 PolarHBondContact O-N 3.25Å; N503-Q506 PolarHBondContact O-N 3.36Å; E504-Q506 VanDerWaalsContact C-N 3.28Å; E504-Q506 PolarHBondContact O-N 3.45Å; Q506-L509 PolarHBondContact O-N 3.13Å; Q506-F510 WeakPolarHBondContact O-CB 3.44Å; Q506-F510 PolarHBondContact O-N 3.5Å
507R95.6Very high91.5Very high170 Ų17068 Ų6864%0.64232%0.323SS*.Hα-helixtrans-62.5-44.3173.3-80.9-176.980.7155.91.1111.9N503 E504 F510 H511N503-R507 PolarHBondContact O-N 3.07Å; E504-R507 WeakPolarHBondContact O-CB 3.49Å; E504-R507 PolarHBondContact O-N 3.14Å; E504-R507 VanDerWaalsContact O-N 3.08Å; R507-F510 PolarHBondContact O-N 2.77Å; R507-H511 PolarHBondContact O-N 2.68Å
508I95.9Very high92.2Very high46 Ų4664.6 Ų64.624%0.23631%0.31CS..Hα-helixtrans-60.3-48.7177.8-68.9167.7000110.1E504 G505 F510 H511 A512 A534 F538E504-I508 HydrophobicContact CG-CD1 4.35Å; E504-I508 WeakPolarHBondContact O-CG1 3.47Å; E504-I508 PolarHBondContact O-N 3.3Å; G505-I508 PolarHBondContact O-N 2.99Å; I508-F510 PolarHBondContact O-N 2.89Å; I508-H511 PolarHBondContact O-N 2.85Å; I508-A512 WeakPolarHBondContact O-CB 3.41Å; I508-A512 PolarHBondContact O-N 2.72Å; I508-A534 HydrophobicContact CG2-CB 3.91Å; I508-F538 HydrophobicContact CD1-CB 3.83Å; I508-F538 HydrophobicContact CD1-CD1 3.97Å; I508-F538 HydrophobicContact CD1-CD2 3.37Å; I508-F538 HydrophobicContact CD1-CE1 4.4Å; I508-F538 HydrophobicContact CD1-CE2 3.86Å; I508-F538 HydrophobicContact CD1-CG 3.42Å; I508-F538 VanDerWaalsContact CD1-CG 3.42Å; I508-F538 HydrophobicContact CD1-CZ 4.35Å
509L95.9Very high92.7Very high0 Ų068.6 Ų68.60%033%0.327CS..Hα-helixtrans-59.5-44175.8-79171.9000112.3P485 I487 G505 Q506 H511 A512 L513 M531 L535P485-L509 HydrophobicContact CB-CB 3.88Å; P485-L509 HydrophobicContact CB-CD1 4.13Å; P485-L509 HydrophobicContact CG-CB 3.55Å; I487-L509 HydrophobicContact CD1-CD1 3.72Å; I487-L509 HydrophobicContact CG1-CD1 3.64Å; G505-L509 WeakPolarHBondContact O-CB 3.36Å; G505-L509 WeakPolarHBondContact O-CG 3.43Å; G505-L509 PolarHBondContact O-N 3.46Å; Q506-L509 PolarHBondContact O-N 3.13Å; L509-H511 VanDerWaalsContact C-N 3.31Å; L509-H511 PolarHBondContact O-N 2.78Å; L509-A512 PolarHBondContact O-N 2.82Å; L509-L513 WeakPolarHBondContact O-CB 3.38Å; L509-L513 WeakPolarHBondContact O-CG 3.34Å; L509-L513 PolarHBondContact O-N 2.67Å; L509-M531 HydrophobicContact CD2-CB 3.6Å; L509-M531 HydrophobicContact CD2-CE 4.21Å; L509-M531 HydrophobicContact CD2-CG 3.84Å; L509-L535 HydrophobicContact CD1-CD1 4.28Å; L509-L535 HydrophobicContact CD1-CD2 4.13Å; L509-L535 HydrophobicContact CD2-CB 4.11Å; L509-L535 HydrophobicContact CD2-CD2 4.46Å; L509-L535 HydrophobicContact CG-CB 4.45Å; L509-L535 HydrophobicContact CG-CD1 4.16Å; L509-L535 HydrophobicContact CG-CD2 4.47Å
510F96Very high92.7Very high82 Ų8271.4 Ų71.436%0.3635%0.347SS..Hα-helixtrans-61.4-42.8-180-174.4-89.5000111I481 P485 Q506 R507 I508 R514I481-F510 HydrophobicContact CB-CE2 4.27Å; I481-F510 HydrophobicContact CD1-CD2 3.7Å; I481-F510 HydrophobicContact CD1-CE2 3.7Å; I481-F510 HydrophobicContact CD1-CG 4.27Å; I481-F510 HydrophobicContact CD1-CZ 4.26Å; I481-F510 HydrophobicContact CG2-CE2 4.42Å; P485-F510 HydrophobicContact CG-CB 4.07Å; Q506-F510 WeakPolarHBondContact O-CB 3.44Å; Q506-F510 PolarHBondContact O-N 3.5Å; R507-F510 PolarHBondContact O-N 2.77Å; I508-F510 PolarHBondContact O-N 2.89Å; F510-R514 VanDerWaalsContact O-CB 3.3Å; F510-R514 WeakPolarHBondContact O-CB 3.45Å; F510-R514 PolarHBondContact O-N 3.11Å
511H95.8Very high92.6Very high124 Ų12466.1 Ų66.157%0.57434%0.339SS*.Hα-helixtrans-64-48175.8-110.3-75.7000112.2R507 I508 L509 L513 R514 E515R507-H511 PolarHBondContact O-N 2.68Å; I508-H511 PolarHBondContact O-N 2.85Å; L509-H511 VanDerWaalsContact C-N 3.31Å; L509-H511 PolarHBondContact O-N 2.78Å; H511-L513 PolarHBondContact O-N 3.22Å; H511-R514 PolarHBondContact O-N 3.23Å; H511-E515 PolarHBondContact O-N 3.23Å
512A95.4Very high92.6Very high15 Ų1565.4 Ų65.412%0.12434%0.337CS..Hα-helixtrans-61.7-42.7179.800000112.3I508 L509 E515 A516 A534I508-A512 WeakPolarHBondContact O-CB 3.41Å; I508-A512 PolarHBondContact O-N 2.72Å; L509-A512 PolarHBondContact O-N 2.82Å; A512-E515 PolarHBondContact O-N 2.91Å; A512-A516 WeakPolarHBondContact O-CB 3.44Å; A512-A516 PolarHBondContact O-N 2.9Å; A512-A534 HydrophobicContact CB-CB 3.45Å; A512-A534 VanDerWaalsContact CB-CB 3.45Å
513L95.6Very high92.7Very high0 Ų068 Ų680%035%0.354CS..Hα-helixtrans-62.7-43.3174.8-82166000111.7A472 I481 P485 L509 H511 A516 L517 L527 M531 I553A472-L513 HydrophobicContact CB-CD1 3.67Å; I481-L513 HydrophobicContact CD1-CB 3.73Å; I481-L513 HydrophobicContact CD1-CD1 4.45Å; I481-L513 HydrophobicContact CG1-CB 4.49Å; P485-L513 HydrophobicContact CB-CD1 3.99Å; P485-L513 HydrophobicContact CG-CD1 4.07Å; L509-L513 WeakPolarHBondContact O-CB 3.38Å; L509-L513 WeakPolarHBondContact O-CG 3.34Å; L509-L513 PolarHBondContact O-N 2.67Å; H511-L513 PolarHBondContact O-N 3.22Å; L513-A516 PolarHBondContact O-N 2.93Å; L513-L517 WeakPolarHBondContact O-CB 3.49Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.02Å; L513-L527 HydrophobicContact CD2-CB 4.07Å; L513-L527 HydrophobicContact CD2-CD2 3.72Å; L513-L527 HydrophobicContact CD2-CG 4.43Å; L513-M531 HydrophobicContact CD1-CG 4.23Å; L513-M531 HydrophobicContact CD1-SD 4.28Å; L513-M531 HydrophobicContact CD2-CG 3.82Å; L513-M531 HydrophobicContact CD2-SD 3.94Å; L513-M531 HydrophobicContact CG-CG 3.9Å; L513-M531 HydrophobicContact CG-SD 4.37Å; L513-I553 HydrophobicContact CD2-CD1 3.88Å
514R94.1Very high92.8Very high149 Ų14966.9 Ų66.956%0.56235%0.346SS*.Hα-helixtrans-67.4-35.6-179.1-162.3-179.5-176.8-1742.2112.4F510 H511 N518F510-R514 VanDerWaalsContact O-CB 3.3Å; F510-R514 WeakPolarHBondContact O-CB 3.45Å; F510-R514 PolarHBondContact O-N 3.11Å; H511-R514 PolarHBondContact O-N 3.23Å; R514-N518 PolarHBondContact O-N 2.75Å; R514-N518 PolarHBondContact O-ND2 3.42Å
515E94Very high92.7Very high143 Ų14365.2 Ų65.267%0.66835%0.349SS*.Hα-helixtrans-65.5-50.6170.5-93-174.4146.400111.3H511 A512 L517 N518 E519H511-E515 PolarHBondContact O-N 3.23Å; A512-E515 PolarHBondContact O-N 2.91Å; E515-L517 VanDerWaalsContact C-N 3.34Å; E515-L517 PolarHBondContact O-N 3.36Å; E515-N518 PolarHBondContact O-N 2.86Å; E515-E519 PolarHBondContact O-N 2.83Å
516A94.1Very high92.7Very high9 Ų969.1 Ų69.17%0.07437%0.366CS..Hα-helixtrans-61.1-38.7-178.800000113A512 L513 N518 E519 C522 L527 A530A512-A516 WeakPolarHBondContact O-CB 3.44Å; A512-A516 PolarHBondContact O-N 2.9Å; L513-A516 PolarHBondContact O-N 2.93Å; A516-N518 VanDerWaalsContact C-N 3.25Å; A516-N518 PolarHBondContact O-N 3.25Å; A516-E519 PolarHBondContact O-N 2.91Å; A516-C522 PolarHBondContact O-SG 3.23Å; A516-L527 HydrophobicContact CB-CD2 3.78Å; A516-A530 HydrophobicContact CB-CB 3.81Å
517L93.3Very high92.7Very high2 Ų267 Ų671%0.0136%0.356CS..Hα-helixtrans-62.3-30.9173.9-79.9165.8000112.8V474 K479 I481 L513 E515 L527V474-L517 HydrophobicContact CG1-CD1 4.43Å; K479-L517 HydrophobicContact CB-CB 4.36Å; K479-L517 VanDerWaalsContact CD-O 3.28Å; K479-L517 WeakPolarHBondContact CD-O 3.49Å; K479-L517 WeakPolarHBondContact CE-O 3.34Å; K479-L517 WeakPolarHBondContact CG-O 3.35Å; I481-L517 HydrophobicContact CD1-CD1 4.47Å; I481-L517 HydrophobicContact CG1-CD1 3.71Å; L513-L517 WeakPolarHBondContact O-CB 3.49Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.02Å; E515-L517 VanDerWaalsContact C-N 3.34Å; E515-L517 PolarHBondContact O-N 3.36Å; L517-L527 HydrophobicContact CD2-CD1 4.18Å; L517-L527 HydrophobicContact CD2-CD2 4.1Å; L517-L527 HydrophobicContact CG-CD2 3.82Å
518N92.1Very high92.7Very high96 Ų9661.9 Ų61.951%0.51334%0.338SS..Hα-helixtrans-81.4-19.2-179.2-79.7-50.3000113.5K479 R514 E515 A516K479-N518 PolarHBondContact NZ-O 2.56Å; R514-N518 PolarHBondContact O-N 2.75Å; R514-N518 PolarHBondContact O-ND2 3.42Å; E515-N518 PolarHBondContact O-N 2.86Å; A516-N518 VanDerWaalsContact C-N 3.25Å; A516-N518 PolarHBondContact O-N 3.25Å
519E89.9Confident92.7Very high104 Ų10465.1 Ų65.149%0.48636%0.356SS..SBendtrans-61149.7174.1-72.9-164.2162.400113.2E515 A516 K526E515-E519 PolarHBondContact O-N 2.83Å; A516-E519 PolarHBondContact O-N 2.91Å; E519-K526 IonicContact OE2-NZ 3.44Å; E519-K526 PolarHBondContact OE2-NZ 3.47Å
520A83.1Confident92.6Very high93 Ų9366.2 Ų66.277%0.76937%0.365SS*.THydrogen-bonded Turntrans-66.9134.6170.500000110.6
521G84.2Confident92.6Very high64 Ų6462.3 Ų62.366%0.6635%0.348SS*.THydrogen-bonded Turntrans68.136.9179.400000113.8T523G521-T523 PolarHBondContact O-N 3.33Å
522C88.3Confident92.7Very high22 Ų2258.1 Ų58.115%0.14933%0.331CS..  trans-58.9131.5173.5-179.30000110.7A516A516-C522 PolarHBondContact O-SG 3.23Å
523T91.2Very high92.7Very high72 Ų7260.6 Ų60.644%0.44235%0.352SS..  trans-129.1161.717661.70000109.6G521 A525 K526 L527G521-T523 PolarHBondContact O-N 3.33Å; T523-A525 PolarHBondContact O-N 2.79Å; T523-K526 WeakPolarHBondContact O-CB 3.47Å; T523-K526 PolarHBondContact O-N 2.86Å; T523-K526 PolarHBondContact OG1-N 2.91Å; T523-L527 PolarHBondContact O-N 3.37Å; T523-L527 VanDerWaalsContact O-N 3.07Å
524E91.8Very high92.7Very high74 Ų7462 Ų6235%0.34636%0.363SS..Hα-helixtrans-55.7-37.9176.3-152.9-162.3144.700112.3L527 K528 I553E524-L527 PolarHBondContact O-N 3.14Å; E524-K528 WeakPolarHBondContact O-CG 3.42Å; E524-K528 PolarHBondContact O-N 3.08Å; E524-K528 WeakPolarHBondContact OE1-CE 3.25Å; E524-K528 IonicContact OE1-NZ 3.76Å; E524-K528 PolarHBondContact OE1-NZ 3.43Å; E524-I553 HydrophobicContact CG-CB 3.63Å; E524-I553 HydrophobicContact CG-CG1 4.25Å; E524-I553 HydrophobicContact CG-CG2 3.6Å
525A92.6Very high92.7Very high60 Ų6054.9 Ų54.950%0.49634%0.336SS..Hα-helixtrans-65.5-39.7176.200000112.8T523 L527 K528 N529T523-A525 PolarHBondContact O-N 2.79Å; A525-L527 VanDerWaalsContact C-N 3.34Å; A525-K528 PolarHBondContact O-N 2.87Å; A525-N529 WeakPolarHBondContact O-CB 3.38Å; A525-N529 PolarHBondContact O-N 2.95Å
526K93.1Very high92.8Very high82 Ų8251.4 Ų51.436%0.35732%0.32SS..Hα-helixtrans-62.5-42.7173.7-90.2-170.9167.2-161.10111.4E519 T523 N529 A530E519-K526 IonicContact OE2-NZ 3.44Å; E519-K526 PolarHBondContact OE2-NZ 3.47Å; T523-K526 WeakPolarHBondContact O-CB 3.47Å; T523-K526 PolarHBondContact O-N 2.86Å; T523-K526 PolarHBondContact OG1-N 2.91Å; K526-N529 PolarHBondContact O-N 3.43Å; K526-A530 WeakPolarHBondContact O-CB 3.38Å; K526-A530 PolarHBondContact O-N 3.05Å
527L95.1Very high92.8Very high0 Ų054.8 Ų54.80%034%0.341CS..Hα-helixtrans-62.5-47.9177.7-67.2167.3000111.3V474 I476 L513 A516 L517 T523 E524 A525 N529 A530 M531 I553V474-L527 HydrophobicContact CG2-CD1 3.97Å; I476-L527 HydrophobicContact CD1-CD1 4.21Å; I476-L527 HydrophobicContact CG1-CD1 4.2Å; L513-L527 HydrophobicContact CD2-CB 4.07Å; L513-L527 HydrophobicContact CD2-CD2 3.72Å; L513-L527 HydrophobicContact CD2-CG 4.43Å; A516-L527 HydrophobicContact CB-CD2 3.78Å; L517-L527 HydrophobicContact CD2-CD1 4.18Å; L517-L527 HydrophobicContact CD2-CD2 4.1Å; L517-L527 HydrophobicContact CG-CD2 3.82Å; T523-L527 PolarHBondContact O-N 3.37Å; T523-L527 VanDerWaalsContact O-N 3.07Å; E524-L527 PolarHBondContact O-N 3.14Å; A525-L527 VanDerWaalsContact C-N 3.34Å; L527-N529 VanDerWaalsContact C-N 3.33Å; L527-N529 PolarHBondContact O-N 3.2Å; L527-A530 PolarHBondContact O-N 3.46Å; L527-M531 VanDerWaalsContact O-CG 3.32Å; L527-M531 WeakPolarHBondContact O-CG 3.42Å; L527-M531 PolarHBondContact O-N 2.74Å; L527-I553 HydrophobicContact CB-CD1 3.89Å; L527-I553 HydrophobicContact CB-CG1 4.02Å; L527-I553 HydrophobicContact CD1-CD1 4.44Å
528K95.5Very high92.9Very high63 Ų6356 Ų5627%0.27435%0.346SS..Hα-helixtrans-56.8-45.4175.7-74177.3-177.6166.80112.1E524 A525 M531 V532 P551 I553E524-K528 WeakPolarHBondContact O-CG 3.42Å; E524-K528 PolarHBondContact O-N 3.08Å; E524-K528 WeakPolarHBondContact OE1-CE 3.25Å; E524-K528 IonicContact OE1-NZ 3.76Å; E524-K528 PolarHBondContact OE1-NZ 3.43Å; A525-K528 PolarHBondContact O-N 2.87Å; K528-M531 PolarHBondContact O-N 2.82Å; K528-V532 WeakPolarHBondContact O-CG2 3.34Å; K528-V532 PolarHBondContact O-N 2.79Å; K528-V532 VanDerWaalsContact O-N 3.14Å; K528-P551 HydrophobicContact CB-CB 4.06Å; K528-P551 HydrophobicContact CB-CG 3.71Å; K528-P551 HydrophobicContact CG-CB 4.06Å; K528-P551 HydrophobicContact CG-CG 3.99Å; K528-I553 HydrophobicContact CG-CG1 3.93Å
529N95.4Very high93Very high113 Ų11351.8 Ų51.860%0.60432%0.324SS*.Hα-helixtrans-64.4-41.3177.1-74.7-13.8000112.5A525 K526 L527 M531 V532 A533A525-N529 WeakPolarHBondContact O-CB 3.38Å; A525-N529 PolarHBondContact O-N 2.95Å; K526-N529 PolarHBondContact O-N 3.43Å; L527-N529 VanDerWaalsContact C-N 3.33Å; L527-N529 PolarHBondContact O-N 3.2Å; N529-M531 VanDerWaalsContact C-N 3.33Å; N529-M531 PolarHBondContact O-N 2.89Å; N529-V532 PolarHBondContact O-N 2.96Å; N529-A533 VanDerWaalsContact O-CB 3.23Å; N529-A533 WeakPolarHBondContact O-CB 3.35Å; N529-A533 PolarHBondContact O-N 2.83Å
530A95Very high93.1Very high24 Ų2450.1 Ų50.120%0.19832%0.315CS..Hα-helixtrans-62.8-40.5176.900000111.7A516 K526 L527 A534A516-A530 HydrophobicContact CB-CB 3.81Å; K526-A530 WeakPolarHBondContact O-CB 3.38Å; K526-A530 PolarHBondContact O-N 3.05Å; L527-A530 PolarHBondContact O-N 3.46Å; A530-A534 VanDerWaalsContact O-CB 3.23Å; A530-A534 WeakPolarHBondContact O-CB 3.35Å; A530-A534 PolarHBondContact O-N 2.83Å
531M95.8Very high93.6Very high0 Ų051.2 Ų51.20%031%0.308CS..Hα-helixtrans-60.4-49.1175.6-68.9173.570.400111.8S470 L509 L513 L527 K528 N529 L535 P551 I553S470-M531 VanDerWaalsContact O-CE 3.29Å; S470-M531 WeakPolarHBondContact O-CE 3.35Å; L509-M531 HydrophobicContact CD2-CB 3.6Å; L509-M531 HydrophobicContact CD2-CE 4.21Å; L509-M531 HydrophobicContact CD2-CG 3.84Å; L513-M531 HydrophobicContact CD1-CG 4.23Å; L513-M531 HydrophobicContact CD1-SD 4.28Å; L513-M531 HydrophobicContact CD2-CG 3.82Å; L513-M531 HydrophobicContact CD2-SD 3.94Å; L513-M531 HydrophobicContact CG-CG 3.9Å; L513-M531 HydrophobicContact CG-SD 4.37Å; L527-M531 VanDerWaalsContact O-CG 3.32Å; L527-M531 WeakPolarHBondContact O-CG 3.42Å; L527-M531 PolarHBondContact O-N 2.74Å; K528-M531 PolarHBondContact O-N 2.82Å; N529-M531 VanDerWaalsContact C-N 3.33Å; N529-M531 PolarHBondContact O-N 2.89Å; M531-L535 VanDerWaalsContact O-CB 3.22Å; M531-L535 WeakPolarHBondContact O-CB 3.36Å; M531-L535 PolarHBondContact O-N 2.81Å; M531-P551 HydrophobicContact CB-CB 4.1Å; M531-P551 HydrophobicContact CE-CB 4.23Å; M531-P551 HydrophobicContact SD-CB 4.07Å; M531-I553 HydrophobicContact SD-CD1 3.61Å; M531-I553 HydrophobicContact SD-CG1 4.27Å
532V96.3Very high93.9Very high35 Ų3553 Ų5321%0.21230%0.299CS..Hα-helixtrans-64.9-47.9179.3175.60000111K528 N529 A534 L535 Q536 I549 P551K528-V532 WeakPolarHBondContact O-CG2 3.34Å; K528-V532 PolarHBondContact O-N 2.79Å; K528-V532 VanDerWaalsContact O-N 3.14Å; N529-V532 PolarHBondContact O-N 2.96Å; V532-A534 VanDerWaalsContact C-N 3.28Å; V532-A534 PolarHBondContact O-N 2.75Å; V532-L535 PolarHBondContact O-N 3.39Å; V532-Q536 VanDerWaalsContact O-CB 3.23Å; V532-Q536 WeakPolarHBondContact O-CB 3.37Å; V532-Q536 PolarHBondContact O-N 2.82Å; V532-I549 HydrophobicContact CG2-CB 4.32Å; V532-I549 HydrophobicContact CG2-CG2 4Å; V532-P551 HydrophobicContact CG2-CB 4.2Å; V532-P551 HydrophobicContact CG2-CG 3.58Å
533A96.1Very high93.9Very high68 Ų6853.7 Ų53.756%0.56230%0.302SS*.Hα-helixtrans-63.4-32.3-177.800000113.1N529 P537N529-A533 VanDerWaalsContact O-CB 3.23Å; N529-A533 WeakPolarHBondContact O-CB 3.35Å; N529-A533 PolarHBondContact O-N 2.83Å; A533-P537 WeakPolarHBondContact O-CD 3.41Å; A533-P537 WeakPolarHBondContact O-CG 3.37Å
534A95.6Very high94Very high28 Ų2856.6 Ų56.623%0.23131%0.311CS..Hα-helixtrans-80-41.3176.900000112.4I508 A512 A530 V532I508-A534 HydrophobicContact CG2-CB 3.91Å; A512-A534 HydrophobicContact CB-CB 3.45Å; A512-A534 VanDerWaalsContact CB-CB 3.45Å; A530-A534 VanDerWaalsContact O-CB 3.23Å; A530-A534 WeakPolarHBondContact O-CB 3.35Å; A530-A534 PolarHBondContact O-N 2.83Å; V532-A534 VanDerWaalsContact C-N 3.28Å; V532-A534 PolarHBondContact O-N 2.75Å
535L95.2Very high93.9Very high0 Ų056.8 Ų56.80%031%0.309CS..Hα-helixtrans-80.6-35.7-173.2-168.268.1000112.6V468 I487 L509 M531 V532 F538 L539 I549V468-L535 HydrophobicContact CG1-CD2 3.98Å; I487-L535 HydrophobicContact CD1-CD1 3.94Å; I487-L535 HydrophobicContact CD1-CD2 4.37Å; L509-L535 HydrophobicContact CD1-CD1 4.28Å; L509-L535 HydrophobicContact CD1-CD2 4.13Å; L509-L535 HydrophobicContact CD2-CB 4.11Å; L509-L535 HydrophobicContact CD2-CD2 4.46Å; L509-L535 HydrophobicContact CG-CB 4.45Å; L509-L535 HydrophobicContact CG-CD1 4.16Å; L509-L535 HydrophobicContact CG-CD2 4.47Å; M531-L535 VanDerWaalsContact O-CB 3.22Å; M531-L535 WeakPolarHBondContact O-CB 3.36Å; M531-L535 PolarHBondContact O-N 2.81Å; V532-L535 PolarHBondContact O-N 3.39Å; L535-F538 HydrophobicContact CD1-CD1 4.18Å; L535-F538 PolarHBondContact O-N 2.99Å; L535-L539 HydrophobicContact CD1-CG 4.32Å; L535-L539 HydrophobicContact CD2-CD1 4.09Å; L535-L539 HydrophobicContact CG-CD1 3.85Å; L535-L539 HydrophobicContact CG-CG 4.02Å; L535-L539 WeakPolarHBondContact O-CG 3.47Å; L535-L539 PolarHBondContact O-N 3.02Å; L535-I549 HydrophobicContact CB-CD1 4.08Å; L535-I549 HydrophobicContact CD2-CD1 4.18Å; L535-I549 HydrophobicContact CD2-CG2 4.13Å; L535-I549 HydrophobicContact CG-CD1 4.19Å
536Q94.7Very high93.8Very high70 Ų7058.1 Ų58.133%0.32731%0.305SS..Hα-helixtrans-62.8-45.7-173.6-165.4153.84.600114.7V532 F538 L539 F540 I549V532-Q536 VanDerWaalsContact O-CB 3.23Å; V532-Q536 WeakPolarHBondContact O-CB 3.37Å; V532-Q536 PolarHBondContact O-N 2.82Å; Q536-F538 VanDerWaalsContact C-N 3.31Å; Q536-F538 PolarHBondContact O-N 2.69Å; Q536-L539 PolarHBondContact O-N 2.83Å; Q536-F540 PolarHBondContact O-N 3.09Å; Q536-F540 WeakPolarHBondContact O-CB 3.35Å; Q536-F540 VanDerWaalsContact O-N 3.07Å; Q536-I549 HydrophobicContact CB-CD1 3.67Å; Q536-I549 HydrophobicContact CG-CD1 4.16Å
537P95.4Very high93.9Very high80 Ų8054.3 Ų54.352%0.51929%0.288SS..Hα-helixtrans-64.2-38176.6-18.831.7000112.1A533 F540 D541A533-P537 WeakPolarHBondContact O-CD 3.41Å; A533-P537 WeakPolarHBondContact O-CG 3.37Å; P537-F540 PolarHBondContact O-N 2.95Å; P537-D541 WeakPolarHBondContact O-CB 3.31Å; P537-D541 PolarHBondContact O-N 2.81Å
538F94.8Very high93.8Very high27 Ų2756.1 Ų56.112%0.11830%0.297CS..Hα-helixtrans-64.2-47.4178.3167.2-105.6000111.8M501 E504 I508 L535 Q536 F540 D541 Q542M501-F538 HydrophobicContact CG-CE1 4.02Å; M501-F538 HydrophobicContact CG-CZ 3.96Å; M501-F538 WeakPolarHBondContact O-CE1 3.21Å; M501-F538 WeakPolarHBondContact O-CZ 3.46Å; E504-F538 HydrophobicContact CB-CE2 4.3Å; E504-F538 HydrophobicContact CB-CZ 3.89Å; E504-F538 HydrophobicContact CG-CE2 3.97Å; E504-F538 HydrophobicContact CG-CZ 4.08Å; I508-F538 HydrophobicContact CD1-CB 3.83Å; I508-F538 HydrophobicContact CD1-CD1 3.97Å; I508-F538 HydrophobicContact CD1-CD2 3.37Å; I508-F538 HydrophobicContact CD1-CE1 4.4Å; I508-F538 HydrophobicContact CD1-CE2 3.86Å; I508-F538 HydrophobicContact CD1-CG 3.42Å; I508-F538 VanDerWaalsContact CD1-CG 3.42Å; I508-F538 HydrophobicContact CD1-CZ 4.35Å; L535-F538 HydrophobicContact CD1-CD1 4.18Å; L535-F538 PolarHBondContact O-N 2.99Å; Q536-F538 VanDerWaalsContact C-N 3.31Å; Q536-F538 PolarHBondContact O-N 2.69Å; F538-F540 VanDerWaalsContact C-N 3.28Å; F538-F540 PolarHBondContact O-N 3.24Å; F538-D541 PolarHBondContact O-N 3.11Å; F538-Q542 WeakPolarHBondContact O-CG 3.43Å; F538-Q542 PolarHBondContact O-N 2.78Å; F538-Q542 VanDerWaalsContact O-CG 3.31Å; F538-Q542 HydrophobicContact CZ-CG 3.88Å; F538-Q542 HydrophobicContact CE2-CG 3.6Å; F538-Q542 HydrophobicContact CD2-CG 4.02Å
539L93Very high93.8Very high9 Ų954 Ų545%0.04729%0.288CS..Hα-helixtrans-63.2-38.6177.9-67.3-177.8000111.5V468 F492 M501 L535 Q536 Q542 T543 P547 I549V468-L539 HydrophobicContact CB-CD1 4.33Å; V468-L539 HydrophobicContact CG1-CD1 4.29Å; V468-L539 HydrophobicContact CG2-CD1 3.96Å; F492-L539 HydrophobicContact CE1-CB 4.48Å; F492-L539 HydrophobicContact CE1-CD1 4.14Å; F492-L539 HydrophobicContact CE1-CD2 3.84Å; F492-L539 HydrophobicContact CE1-CG 4.37Å; F492-L539 HydrophobicContact CZ-CB 4.05Å; F492-L539 HydrophobicContact CZ-CD1 4.41Å; F492-L539 HydrophobicContact CZ-CD2 4.18Å; F492-L539 HydrophobicContact CZ-CG 4.44Å; M501-L539 HydrophobicContact SD-CD2 4.4Å; L535-L539 HydrophobicContact CD1-CG 4.32Å; L535-L539 HydrophobicContact CD2-CD1 4.09Å; L535-L539 HydrophobicContact CG-CD1 3.85Å; L535-L539 HydrophobicContact CG-CG 4.02Å; L535-L539 WeakPolarHBondContact O-CG 3.47Å; L535-L539 PolarHBondContact O-N 3.02Å; Q536-L539 PolarHBondContact O-N 2.83Å; L539-Q542 PolarHBondContact O-N 3.07Å; L539-T543 WeakPolarHBondContact O-CB 3.43Å; L539-T543 PolarHBondContact O-N 2.84Å; L539-T543 PolarHBondContact O-OG1 2.89Å; L539-P547 HydrophobicContact CB-CG 4.32Å; L539-P547 HydrophobicContact CD1-CG 3.69Å; L539-I549 HydrophobicContact CD1-CD1 4.05Å; L539-I549 HydrophobicContact CD1-CG1 4.38Å
540F93.5Very high93.8Very high68 Ų6852.3 Ų52.330%0.29828%0.279SS..Hα-helixtrans-64.7-48.2175.3-174.9-98.7000111.9Q536 P537 F538 Q542 T543 E544 R545 H546Q536-F540 PolarHBondContact O-N 3.09Å; Q536-F540 WeakPolarHBondContact O-CB 3.35Å; Q536-F540 VanDerWaalsContact O-N 3.07Å; P537-F540 PolarHBondContact O-N 2.95Å; F538-F540 VanDerWaalsContact C-N 3.28Å; F538-F540 PolarHBondContact O-N 3.24Å; F540-Q542 PolarHBondContact O-N 3.04Å; F540-T543 PolarHBondContact O-N 3.38Å; F540-E544 PolarHBondContact O-N 3.17Å; F540-E544 WeakPolarHBondContact O-CA 3.48Å; F540-E544 WeakPolarHBondContact CZ-OE2 3.49Å; F540-E544 VanDerWaalsContact CZ-OE2 3.27Å; F540-E544 VanDerWaalsContact O-CA 3.22Å; F540-R545 WeakPolarHBondContact CA-O 3.46Å; F540-H546 WeakPolarHBondContact CE2-NE2 3.26Å; F540-H546 AromaticContact CG-CE1 3.53Å; F540-H546 AromaticContact CE2-NE2 3.36Å; F540-H546 AromaticContact CE2-CE1 3.64Å; F540-H546 AromaticContact CE2-CD2 3.86Å; F540-H546 WeakPolarHBondContact CD2-NE2 3.49Å; F540-H546 VanDerWaalsContact CD2-NE2 3.33Å; F540-H546 WeakPolarHBondContact CD2-ND1 3.43Å; F540-H546 AromaticContact CD2-ND1 3.49Å; F540-H546 AromaticContact CD2-CG 3.92Å; F540-H546 WeakPolarHBondContact CD2-CE1 3.45Å; F540-H546 AromaticContact CD2-CE1 3.1Å; F540-H546 AromaticContact CD2-CD2 3.81Å; F540-H546 AromaticContact CD2-NE2 3.33Å
541D93.6Very high93.8Very high117 Ų11752.3 Ų52.363%0.62628%0.277SS*.Hα-helixtrans-59.8-33.6178.8-173.167.9000112.8P537 F538P537-D541 WeakPolarHBondContact O-CB 3.31Å; P537-D541 PolarHBondContact O-N 2.81Å; F538-D541 PolarHBondContact O-N 3.11Å
542Q89.6Confident93.8Very high102 Ų10256.4 Ų56.448%0.47730%0.297SS..Hα-helixtrans-83.6-24.3-180-67.5-62.1-47.300114.4M501 F538 L539 F540M501-Q542 HydrophobicContact CE-CB 4.45Å; M501-Q542 HydrophobicContact CG-CB 4.24Å; M501-Q542 HydrophobicContact CG-CG 4.31Å; M501-Q542 HydrophobicContact SD-CB 4.27Å; F538-Q542 WeakPolarHBondContact O-CG 3.43Å; F538-Q542 PolarHBondContact O-N 2.78Å; F538-Q542 VanDerWaalsContact O-CG 3.31Å; F538-Q542 HydrophobicContact CZ-CG 3.88Å; F538-Q542 HydrophobicContact CE2-CG 3.6Å; F538-Q542 HydrophobicContact CD2-CG 4.02Å; L539-Q542 PolarHBondContact O-N 3.07Å; F540-Q542 PolarHBondContact O-N 3.04Å
543T89.7Confident93.7Very high35 Ų3555.4 Ų55.422%0.21529%0.291CS..Hα-helixtrans-133.6-9.2-167.569.50000115.2F492 V493 M501 L539 F540 R545F492-T543 HydrophobicContact CE1-CG2 4.48Å; F492-T543 HydrophobicContact CE2-CG2 4.25Å; F492-T543 WeakPolarHBondContact CE2-OG1 3.31Å; F492-T543 HydrophobicContact CZ-CG2 3.68Å; F492-T543 WeakPolarHBondContact CZ-OG1 3.47Å; V493-T543 HydrophobicContact CG1-CG2 4.11Å; M501-T543 HydrophobicContact CE-CG2 3.77Å; M501-T543 HydrophobicContact SD-CG2 3.82Å; L539-T543 WeakPolarHBondContact O-CB 3.43Å; L539-T543 PolarHBondContact O-N 2.84Å; L539-T543 PolarHBondContact O-OG1 2.89Å; F540-T543 PolarHBondContact O-N 3.38Å; T543-R545 PolarHBondContact O-N 3.34Å; T543-R545 PolarHBondContact OG1-N 3.19Å
544E91.9Very high93.6Very high134 Ų13457.5 Ų57.563%0.62629%0.29SS*.SBendtrans53.629.2-171.2-62.3-6915900113.1F540F540-E544 PolarHBondContact O-N 3.17Å; F540-E544 WeakPolarHBondContact O-CA 3.48Å; F540-E544 WeakPolarHBondContact CZ-OE2 3.49Å; F540-E544 VanDerWaalsContact CZ-OE2 3.27Å; F540-E544 VanDerWaalsContact O-CA 3.22Å
545R89.8Confident93.3Very high77 Ų7759.4 Ų59.429%0.29130%0.299SS..  trans-128.1156.4-177.4-73.5-179.773.4-168.16.1111.9E464 E465 G491 F492 F540 T543 P547E464-R545 PolarHBondContact O-NH2 2.73Å; E465-R545 PolarHBondContact O-NH2 3.01Å; E465-R545 WeakPolarHBondContact OE2-CB 3.34Å; E465-R545 IonicContact OE2-NE 3.53Å; G491-R545 PolarHBondContact O-NH2 2.88Å; F492-R545 HydrophobicContact CD2-CB 4.46Å; F492-R545 HydrophobicContact CE2-CB 3.86Å; F492-R545 PolarHBondContact O-NH1 2.95Å; F540-R545 WeakPolarHBondContact CA-O 3.46Å; T543-R545 PolarHBondContact O-N 3.34Å; T543-R545 PolarHBondContact OG1-N 3.19Å; R545-P547 VanDerWaalsContact O-CD 3.27Å; R545-P547 WeakPolarHBondContact O-CD 3.19Å; R545-P547 VanDerWaalsContact C-CD 3.47Å
546H91.6Very high92.7Very high89 Ų8962.2 Ų62.241%0.41232%0.317SS..  trans-119.770.3-176.4-76.4-52.2000111.6E465 F540E465-H546 VanDerWaalsContact CB-O 3.23Å; E465-H546 WeakPolarHBondContact CB-O 3.45Å; E465-H546 WeakPolarHBondContact CG-O 3.44Å; E465-H546 PolarHBondContact OE2-N 3.48Å; F540-H546 WeakPolarHBondContact CE2-NE2 3.26Å; F540-H546 AromaticContact CG-CE1 3.53Å; F540-H546 AromaticContact CE2-NE2 3.36Å; F540-H546 AromaticContact CE2-CE1 3.64Å; F540-H546 AromaticContact CE2-CD2 3.86Å; F540-H546 WeakPolarHBondContact CD2-NE2 3.49Å; F540-H546 VanDerWaalsContact CD2-NE2 3.33Å; F540-H546 WeakPolarHBondContact CD2-ND1 3.43Å; F540-H546 AromaticContact CD2-ND1 3.49Å; F540-H546 AromaticContact CD2-CG 3.92Å; F540-H546 WeakPolarHBondContact CD2-CE1 3.45Å; F540-H546 AromaticContact CD2-CE1 3.1Å; F540-H546 AromaticContact CD2-CD2 3.81Å; F540-H546 AromaticContact CD2-NE2 3.33Å
547P93.3Very high91.6Very high2 Ų266.6 Ų66.61%0.01334%0.343CS..  trans-59.6150.1178.826.6-34.4000111.7V468 F492 L539 R545 I549V468-P547 HydrophobicContact CG2-CB 3.88Å; V468-P547 HydrophobicContact CG2-CG 4Å; F492-P547 HydrophobicContact CB-CB 4.13Å; F492-P547 HydrophobicContact CD1-CB 4.27Å; F492-P547 HydrophobicContact CD1-CG 4.15Å; F492-P547 HydrophobicContact CD2-CB 3.57Å; F492-P547 HydrophobicContact CD2-CG 3.66Å; F492-P547 HydrophobicContact CE1-CG 4.07Å; F492-P547 HydrophobicContact CE2-CB 4.01Å; F492-P547 HydrophobicContact CE2-CG 3.54Å; F492-P547 HydrophobicContact CG-CB 3.72Å; F492-P547 HydrophobicContact CG-CG 3.97Å; F492-P547 HydrophobicContact CZ-CG 3.76Å; L539-P547 HydrophobicContact CB-CG 4.32Å; L539-P547 HydrophobicContact CD1-CG 3.69Å; R545-P547 VanDerWaalsContact O-CD 3.27Å; R545-P547 WeakPolarHBondContact O-CD 3.19Å; R545-P547 VanDerWaalsContact C-CD 3.47Å; P547-I549 PolarHBondContact O-N 3.41Å; P547-I549 VanDerWaalsContact O-N 3.17Å
548M94.2Very high89.8Confident37 Ų3773.4 Ų73.418%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-66.6115.4167.3-176.1178.7-7200108.8D458 I461 L462 G466 L467 V468 L550D458-M548 HydrophobicContact CB-CE 4.09Å; I461-M548 HydrophobicContact CB-CE 3.98Å; I461-M548 HydrophobicContact CD1-CE 4.19Å; I461-M548 HydrophobicContact CG2-CB 3.94Å; I461-M548 HydrophobicContact CG2-CE 3.9Å; L462-M548 HydrophobicContact CD2-SD 4.18Å; L462-M548 HydrophobicContact CG-CE 4.46Å; L462-M548 HydrophobicContact CG-SD 4.44Å; G466-M548 PolarHBondContact O-N 3.2Å; L467-M548 WeakPolarHBondContact CA-O 3.46Å; L467-M548 HydrophobicContact CD1-CB 4.41Å; L467-M548 HydrophobicContact CD1-CG 4.38Å; V468-M548 PolarHBondContact N-O 3.17Å; M548-L550 HydrophobicContact CG-CD1 4.35Å; M548-L550 HydrophobicContact SD-CD1 4.02Å
549I95Very high89.5Confident18 Ų1875.8 Ų75.89%0.09239%0.388CS..EExtended strand (participates in β ladder)trans-95.2117.2176-55.6177.8000108.8V468 V532 L535 Q536 L539 P547 P551V468-I549 HydrophobicContact CB-CG1 4.47Å; V468-I549 CarbonylContact O-C 3.6Å; V468-I549 VanDerWaalsContact O-CA 3.31Å; V468-I549 WeakPolarHBondContact O-CA 3.34Å; V532-I549 HydrophobicContact CG2-CB 4.32Å; V532-I549 HydrophobicContact CG2-CG2 4Å; L535-I549 HydrophobicContact CB-CD1 4.08Å; L535-I549 HydrophobicContact CD2-CD1 4.18Å; L535-I549 HydrophobicContact CD2-CG2 4.13Å; L535-I549 HydrophobicContact CG-CD1 4.19Å; Q536-I549 HydrophobicContact CB-CD1 3.67Å; Q536-I549 HydrophobicContact CG-CD1 4.16Å; L539-I549 HydrophobicContact CD1-CD1 4.05Å; L539-I549 HydrophobicContact CD1-CG1 4.38Å; P547-I549 PolarHBondContact O-N 3.41Å; P547-I549 VanDerWaalsContact O-N 3.17Å; I549-P551 VanDerWaalsContact O-CD 3.3Å; I549-P551 WeakPolarHBondContact O-CD 3.36Å
550L95.3Very high89.4Confident78 Ų7879.3 Ų79.341%0.40841%0.406SS..EExtended strand (participates in β ladder)trans-105101.7173.3-124.3108.1000109.7L467 V468 L469 S470 M548L467-L550 HydrophobicContact CD1-CB 4.19Å; L467-L550 HydrophobicContact CD1-CD1 4.1Å; V468-L550 PolarHBondContact O-N 2.9Å; L469-L550 HydrophobicContact CD1-CB 3.75Å; L469-L550 HydrophobicContact CD1-CD2 4.17Å; S470-L550 PolarHBondContact N-O 2.71Å; M548-L550 HydrophobicContact CG-CD1 4.35Å; M548-L550 HydrophobicContact SD-CD1 4.02Å
551P95.8Very high89.1Confident25 Ų2579.9 Ų79.916%0.16241%0.412CS..EExtended strand (participates in β ladder)trans-81.4128.1175.434.4-37.4000110.8S470 K528 M531 V532 I549S470-P551 CarbonylContact O-C 3.42Å; S470-P551 WeakPolarHBondContact O-CA 3.19Å; K528-P551 HydrophobicContact CB-CB 4.06Å; K528-P551 HydrophobicContact CB-CG 3.71Å; K528-P551 HydrophobicContact CG-CB 4.06Å; K528-P551 HydrophobicContact CG-CG 3.99Å; M531-P551 HydrophobicContact CB-CB 4.1Å; M531-P551 HydrophobicContact CE-CB 4.23Å; M531-P551 HydrophobicContact SD-CB 4.07Å; V532-P551 HydrophobicContact CG2-CB 4.2Å; V532-P551 HydrophobicContact CG2-CG 3.58Å; I549-P551 VanDerWaalsContact O-CD 3.3Å; I549-P551 WeakPolarHBondContact O-CD 3.36Å
552M95.4Very high88.9Confident86 Ų8677.7 Ų77.742%0.42440%0.399SS..EExtended strand (participates in β ladder)trans-117.9131.1169.2-84.8-162.6-72.300110.7L469 S470 V471 A472L469-M552 HydrophobicContact CD1-CE 4.06Å; L469-M552 HydrophobicContact CD2-CE 3.7Å; L469-M552 HydrophobicContact CG-CE 4.13Å; S470-M552 PolarHBondContact O-N 3.48Å; V471-M552 WeakPolarHBondContact CA-O 3.45Å; V471-M552 HydrophobicContact CG1-CB 4.43Å; V471-M552 HydrophobicContact CG2-CB 4.24Å; V471-M552 HydrophobicContact CG2-CE 4.14Å; A472-M552 PolarHBondContact N-O 2.66Å
553I94.5Very high88.8Confident14 Ų1476.2 Ų76.27%0.07239%0.394CS..EExtended strand (participates in β ladder)trans-112.4131.6172.7-65.8-69.3000106.8A472 V474 L513 E524 L527 K528 M531 T555A472-I553 HydrophobicContact CB-CD1 4.32Å; A472-I553 CarbonylContact O-C 3.53Å; A472-I553 WeakPolarHBondContact O-CA 3.31Å; V474-I553 HydrophobicContact CG2-CG2 3.45Å; V474-I553 VanDerWaalsContact CG2-CG2 3.45Å; L513-I553 HydrophobicContact CD2-CD1 3.88Å; E524-I553 HydrophobicContact CG-CB 3.63Å; E524-I553 HydrophobicContact CG-CG1 4.25Å; E524-I553 HydrophobicContact CG-CG2 3.6Å; L527-I553 HydrophobicContact CB-CD1 3.89Å; L527-I553 HydrophobicContact CB-CG1 4.02Å; L527-I553 HydrophobicContact CD1-CD1 4.44Å; K528-I553 HydrophobicContact CG-CG1 3.93Å; M531-I553 HydrophobicContact SD-CD1 3.61Å; M531-I553 HydrophobicContact SD-CG1 4.27Å; I553-T555 HydrophobicContact CG2-CG2 4.34Å
554M93.4Very high88.8Confident111 Ų11178.9 Ų78.955%0.54741%0.406SS..EExtended strand (participates in β ladder)trans-110.8134.1169.2-61.8-175.169.400108.5A472 T473 V474A472-M554 PolarHBondContact O-N 2.87Å; T473-M554 CarbonylContact C-O 3.55Å; T473-M554 VanDerWaalsContact CA-O 3.24Å; T473-M554 WeakPolarHBondContact CA-O 3.33Å; T473-M554 HydrophobicContact CG2-CB 4.14Å; V474-M554 PolarHBondContact N-O 3.27Å
555T89.2Confident88.5Confident68 Ų6875 Ų7542%0.41739%0.391SS..  trans-114.4141.9171.651.10000108.7V474 I476 I553 D557V474-T555 HydrophobicContact CG2-CG2 4.23Å; V474-T555 WeakPolarHBondContact O-CA 3.32Å; I476-T555 HydrophobicContact CD1-CG2 3.99Å; I476-T555 HydrophobicContact CG1-CG2 4.16Å; I553-T555 HydrophobicContact CG2-CG2 4.34Å; T555-D557 PolarHBondContact O-N 2.84Å
556P83.2Confident88.4Confident59 Ų5974.8 Ų74.838%0.38340%0.398SS..  trans-59.8138.8175.724.7-31.8000110.5V474 L482 N558V474-P556 VanDerWaalsContact O-CD 3.29Å; V474-P556 WeakPolarHBondContact O-CD 3.37Å; L482-P556 HydrophobicContact CD1-CB 4.47Å; L482-P556 HydrophobicContact CD1-CG 3.87Å; P556-N558 PolarHBondContact O-N 3.41Å
557D72.1Confident88.2Confident162 Ų16273.7 Ų73.787%0.86640%0.397SS*.  trans-64.9130.1169.2-68.1-36.7000108.5T555T555-D557 PolarHBondContact O-N 2.84Å
558N56.7Low87.7Confident224 Ų22480.2 Ų80.2100%1.19843%0.432SS*.  trans-62.50179.5-85-13.4000113.5P556P556-N558 PolarHBondContact O-N 3.41Å

Retrieved 558 of 558 residues in 1238.8 ms (Link to these results)

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