A0A3Q0KQA2_SCHMA Loading...

CWF19-like protein 1 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KQA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 571 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
1M38.3Very low73.7Confident174 Ų17457.8 Ų57.886%0.85734%0.343SS*.  0136.80-62.4-49.9-157.400109I242M1-I242 HydrophobicContact CE-CD1 4.39Å
2P38.5Very low75.6Confident96 Ų9653 Ų5362%0.62331%0.314SS*.  trans-67.6128157.530.3-31.5000108.5G4 L5P2-G4 PolarHBondContact O-N 2.77Å; P2-G4 VanDerWaalsContact O-N 3.15Å; P2-L5 HydrophobicContact CG-CD1 4.27Å
3D50.6Low77.2Confident108 Ų10848.9 Ų48.958%0.57829%0.29SS*.G310 helixtrans-66.2-19.8-168.5-85.1-67.6000114.8L5 S6 K240D3-L5 PolarHBondContact O-N 3.49Å; D3-S6 PolarHBondContact O-N 2.85Å; D3-S6 VanDerWaalsContact O-N 3.11Å; D3-S6 PolarHBondContact O-OG 3.44Å; D3-K240 IonicContact OD1-NZ 2.66Å; D3-K240 PolarHBondContact OD1-NZ 2.85Å
4G55.7Low78.5Confident79 Ų7946.1 Ų46.181%0.81427%0.273SS*.G310 helixtrans-66.43.3-179.500000116.7P2P2-G4 PolarHBondContact O-N 2.77Å; P2-G4 VanDerWaalsContact O-N 3.15Å
5L71.4Confident79.7Confident73 Ų7343.1 Ų43.138%0.38226%0.255SS..G310 helixtrans-99.7-3.2172.4-74.7170.6000113.7P2 D3 P243 K246P2-L5 HydrophobicContact CG-CD1 4.27Å; D3-L5 PolarHBondContact O-N 3.49Å; L5-P243 WeakPolarHBondContact O-CD 3.27Å; L5-K246 HydrophobicContact CD2-CD 4.23Å
6S84.8Confident80.6Confident17 Ų1744.4 Ų44.412%0.11926%0.257CS..  trans-129.7127.5-170.258.90000113D3 K240 L241D3-S6 PolarHBondContact O-N 2.85Å; D3-S6 VanDerWaalsContact O-N 3.11Å; D3-S6 PolarHBondContact O-OG 3.44Å; S6-K240 VanDerWaalsContact CB-CE 3.47Å; S6-K240 WeakPolarHBondContact OG-CE 3.39Å; S6-K240 PolarHBondContact OG-NZ 2.93Å; S6-L241 CarbonylContact C-O 3.53Å; S6-L241 WeakPolarHBondContact CA-O 3.39Å
7H87.7Confident81.4Confident23 Ų2342.2 Ų42.211%0.10625%0.245CC..EExtended strand (participates in β ladder)trans-89.4138.9178.6-69.7-60.1000113.2I9 D37 S106 K240 L241H7-I9 HydrophobicContact CB-CD1 3.97Å; H7-I9 HydrophobicContact CB-CG1 3.84Å; H7-D37 WeakPolarHBondContact CA-OD2 3.42Å; H7-D37 WeakPolarHBondContact CB-OD2 3.42Å; H7-D37 IonicContact CG-OD2 3.82Å; H7-D37 IonicContact ND1-OD2 2.7Å; H7-D37 PolarHBondContact ND1-OD2 3.24Å; H7-S106 PolarHBondContact CE1-OG 3.29Å; H7-S106 WeakPolarHBondContact NE2-CB 3.44Å; H7-S106 PolarHBondContact NE2-OG 3.21Å; H7-K240 CarbonylContact O-C 3.49Å; H7-K240 WeakPolarHBondContact O-CA 3.28Å; H7-L241 PolarHBondContact N-O 3.05Å; H7-L241 PolarHBondContact O-N 3.06Å
8K93.4Very high82.2Confident65 Ų6545.2 Ų45.228%0.28325%0.252SS..EExtended strand (participates in β ladder)trans-100.4112.7165.9-78-177.9176.8-174.30108.9A33 Q35 F36 D37 L239K8-A33 PolarHBondContact NZ-O 3.46Å; K8-Q35 WeakPolarHBondContact CD-O 3.44Å; K8-Q35 PolarHBondContact NZ-O 3.03Å; K8-F36 HydrophobicContact CB-CB 4.37Å; K8-F36 HydrophobicContact CB-CD1 3.77Å; K8-F36 HydrophobicContact CB-CE1 4.28Å; K8-F36 HydrophobicContact CB-CG 4.15Å; K8-D37 PolarHBondContact N-OD2 3.27Å; K8-D37 PolarHBondContact O-N 2.96Å; K8-L239 WeakPolarHBondContact CA-O 3.28Å
9I95Very high82.8Confident0 Ų042.8 Ų42.80%024%0.238CC..EExtended strand (participates in β ladder)trans-121.6139-171.9-52.8178000110.2H7 I11 M38 F40 L108 L146 L239 L241H7-I9 HydrophobicContact CB-CD1 3.97Å; H7-I9 HydrophobicContact CB-CG1 3.84Å; I9-I11 HydrophobicContact CG2-CD1 3.77Å; I9-M38 HydrophobicContact CG1-CG 4.18Å; I9-M38 HydrophobicContact CG2-CG 4.18Å; I9-F40 HydrophobicContact CG2-CD2 3.71Å; I9-F40 HydrophobicContact CG2-CE2 3.85Å; I9-L108 HydrophobicContact CD1-CD1 4.14Å; I9-L108 HydrophobicContact CD1-CD2 3.43Å; I9-L108 VanDerWaalsContact CD1-CD2 3.43Å; I9-L108 HydrophobicContact CD1-CG 4.44Å; I9-L146 HydrophobicContact CD1-CD1 4.4Å; I9-L239 HydrophobicContact CB-CB 4.45Å; I9-L239 PolarHBondContact N-O 2.85Å; I9-L239 PolarHBondContact O-N 3.05Å; I9-L241 HydrophobicContact CD1-CD1 4.36Å
10L97.3Very high83.4Confident1 Ų142.5 Ų42.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-100.5138.4165.5-65.8177000110.2V26 V29 F36 M38 M39 F40 L65 L236 Y237 A238L10-V26 HydrophobicContact CD1-CG1 3.86Å; L10-V26 HydrophobicContact CD1-CG2 4.17Å; L10-V29 HydrophobicContact CD2-CG1 4.24Å; L10-F36 HydrophobicContact CD1-CG 4.35Å; L10-F36 HydrophobicContact CD2-CD1 3.75Å; L10-F36 HydrophobicContact CD2-CE1 3.51Å; L10-F36 HydrophobicContact CD2-CE2 4.3Å; L10-F36 HydrophobicContact CD2-CG 4.28Å; L10-F36 HydrophobicContact CD2-CZ 3.81Å; L10-F36 HydrophobicContact CG-CB 4.41Å; L10-F36 HydrophobicContact CG-CD1 3.63Å; L10-F36 HydrophobicContact CG-CD2 4.46Å; L10-F36 HydrophobicContact CG-CE1 3.96Å; L10-F36 HydrophobicContact CG-CG 3.93Å; L10-F36 HydrophobicContact CG-CZ 4.5Å; L10-M38 PolarHBondContact N-O 3.4Å; L10-M39 HydrophobicContact CB-CB 3.96Å; L10-M39 HydrophobicContact CB-CG 3.75Å; L10-M39 HydrophobicContact CB-SD 4.13Å; L10-M39 HydrophobicContact CD1-SD 4.2Å; L10-M39 CarbonylContact O-C 3.4Å; L10-M39 VanDerWaalsContact O-CA 3.26Å; L10-M39 WeakPolarHBondContact O-CA 3.41Å; L10-F40 PolarHBondContact O-N 3.45Å; L10-L65 HydrophobicContact CD1-CD1 4.35Å; L10-L236 HydrophobicContact CB-CD1 4.26Å; L10-Y237 WeakPolarHBondContact CA-O 3.38Å; L10-A238 HydrophobicContact CD2-CB 3.94Å
11I97.6Very high83.9Confident0 Ų041.6 Ų41.60%024%0.238CC..EExtended strand (participates in β ladder)trans-119.5129.9168.5-44.3-66.8000108.1I9 F40 L42 L146 L148 F192 L224 L236 Y237 L239I9-I11 HydrophobicContact CG2-CD1 3.77Å; I11-F40 CarbonylContact C-O 3.39Å; I11-F40 WeakPolarHBondContact CA-O 3.4Å; I11-F40 HydrophobicContact CD1-CB 4.02Å; I11-F40 HydrophobicContact CD1-CD2 3.84Å; I11-F40 HydrophobicContact CD1-CG 4.32Å; I11-L42 HydrophobicContact CG2-CD1 3.94Å; I11-L42 HydrophobicContact CG2-CG 4.17Å; I11-L146 HydrophobicContact CD1-CD1 4.01Å; I11-L148 HydrophobicContact CD1-CD2 4.44Å; I11-F192 HydrophobicContact CB-CD1 4.16Å; I11-F192 HydrophobicContact CB-CE1 4.28Å; I11-F192 HydrophobicContact CB-CG 4.36Å; I11-F192 HydrophobicContact CG1-CD1 4.33Å; I11-F192 HydrophobicContact CG1-CD2 4.05Å; I11-F192 HydrophobicContact CG1-CE1 4.23Å; I11-F192 HydrophobicContact CG1-CE2 3.95Å; I11-F192 HydrophobicContact CG1-CG 4.24Å; I11-F192 HydrophobicContact CG1-CZ 4.05Å; I11-F192 HydrophobicContact CG2-CB 3.97Å; I11-F192 HydrophobicContact CG2-CD1 3.9Å; I11-F192 HydrophobicContact CG2-CD2 4.41Å; I11-F192 HydrophobicContact CG2-CG 3.84Å; I11-L224 HydrophobicContact CB-CD1 4.07Å; I11-L224 HydrophobicContact CG2-CD1 3.78Å; I11-L224 WeakPolarHBondContact O-CD1 3.34Å; I11-L236 CarbonylContact O-C 3.42Å; I11-L236 WeakPolarHBondContact O-CA 3.14Å; I11-Y237 PolarHBondContact N-O 3.22Å; I11-Y237 PolarHBondContact O-N 3.09Å; I11-L239 HydrophobicContact CD1-CD1 4.26Å; I11-L239 HydrophobicContact CG1-CD1 3.79Å
12C97.5Very high86.7Confident0 Ų033.3 Ų33.30%020%0.197CC..EExtended strand (participates in β ladder)trans-117.8141.1179.4-171.20000110.9L22 F40 C41 L42 V227 Y235 L236C12-L22 HydrophobicContact CB-CD1 4.37Å; C12-F40 PolarHBondContact N-O 3.09Å; C12-C41 HydrophobicContact CB-CB 4.48Å; C12-L42 PolarHBondContact O-N 3.28Å; C12-V227 VanDerWaalsContact SG-CG2 3.58Å; C12-Y235 CarbonylContact C-O 3.57Å; C12-Y235 VanDerWaalsContact CA-O 3.3Å; C12-Y235 WeakPolarHBondContact CA-O 3.45Å; C12-L236 HydrophobicContact CB-CD1 3.91Å
13G96.4Very high89.4Confident0 Ų029.3 Ų29.30%017%0.169CC..  trans-78-168.2164.900000112.3V15 L42 Y235G13-V15 PolarHBondContact O-N 3.47Å; G13-L42 CarbonylContact C-O 3.18Å; G13-Y235 PolarHBondContact N-O 2.86Å
14D94.8Very high91.5Very high10 Ų1027 Ų275%0.05316%0.161CC..  trans-53.5128.4-172.1-60-110.5000113.3K16 L42 G43 D44 C194 V227D14-K16 HydrophobicContact CB-CD 4.2Å; D14-K16 VanDerWaalsContact CB-CE 3.42Å; D14-K16 HydrophobicContact CB-CG 3.86Å; D14-L42 VanDerWaalsContact CA-O 3.31Å; D14-L42 WeakPolarHBondContact CA-O 3.28Å; D14-L42 PolarHBondContact N-O 3.3Å; D14-L42 VanDerWaalsContact N-O 3.12Å; D14-G43 WeakPolarHBondContact OD1-CA 3.37Å; D14-D44 PolarHBondContact OD1-N 2.76Å; D14-C194 WeakPolarHBondContact OD2-CB 3.34Å; D14-C194 PolarHBondContact OD2-SG 3.49Å; D14-V227 PolarHBondContact O-N 2.84Å
15V96Very high93.3Very high1 Ų128.9 Ų28.91%0.00614%0.144CC..  trans-91.2-32.1-177.5-1710000111.2G13 G17 R18 V19 L22 C41 D44 F45 V227G13-V15 PolarHBondContact O-N 3.47Å; V15-G17 PolarHBondContact O-N 3.36Å; V15-R18 VanDerWaalsContact O-CB 3.25Å; V15-R18 WeakPolarHBondContact O-CB 3.2Å; V15-R18 WeakPolarHBondContact O-CG 3.3Å; V15-R18 PolarHBondContact O-N 3.34Å; V15-V19 HydrophobicContact CG1-CG2 3.97Å; V15-L22 HydrophobicContact CG1-CB 4.34Å; V15-L22 HydrophobicContact CG1-CD2 4.05Å; V15-L22 HydrophobicContact CG2-CD2 3.79Å; V15-C41 HydrophobicContact CG2-CB 4.19Å; V15-D44 PolarHBondContact N-O 2.93Å; V15-F45 HydrophobicContact CB-CD2 3.94Å; V15-F45 HydrophobicContact CB-CE2 4.35Å; V15-F45 HydrophobicContact CG1-CD2 4.47Å; V15-F45 HydrophobicContact CG1-CE2 4.42Å; V15-F45 HydrophobicContact CG2-CD2 3.61Å; V15-F45 HydrophobicContact CG2-CE2 3.98Å; V15-V227 HydrophobicContact CB-CG2 4.33Å; V15-V227 HydrophobicContact CG1-CG2 4.34Å; V15-V227 HydrophobicContact CG2-CG2 4.2Å
16K94.6Very high94.5Very high64 Ų6425.4 Ų25.428%0.27813%0.125SC..THydrogen-bonded Turntrans47.644175.8-53.3-171.6177.61650112.5D14 R18 D44 G47 D226D14-K16 HydrophobicContact CB-CD 4.2Å; D14-K16 VanDerWaalsContact CB-CE 3.42Å; D14-K16 HydrophobicContact CB-CG 3.86Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 2.61Å; K16-D44 HydrophobicContact CG-CB 4.26Å; K16-D44 PolarHBondContact N-O 2.76Å; K16-G47 VanDerWaalsContact C-CA 3.46Å; K16-D226 WeakPolarHBondContact CD-OD2 3.43Å; K16-D226 WeakPolarHBondContact CE-OD1 3.32Å; K16-D226 WeakPolarHBondContact CE-OD2 3.45Å; K16-D226 IonicContact NZ-OD1 2.74Å; K16-D226 PolarHBondContact NZ-OD1 2.83Å; K16-D226 IonicContact NZ-OD2 2.81Å; K16-D226 PolarHBondContact NZ-OD2 3.08Å
17G94.4Very high94.9Very high6 Ų626.9 Ų26.96%0.06214%0.136CC..THydrogen-bonded Turntrans77.2-3.8-179.100000115.9V15 V19 F45 F46 E52V15-G17 PolarHBondContact O-N 3.36Å; G17-V19 PolarHBondContact O-N 3.16Å; G17-F45 PolarHBondContact N-O 3.14Å; G17-F46 WeakPolarHBondContact CA-O 3.47Å; G17-F46 PolarHBondContact N-O 2.83Å; G17-E52 WeakPolarHBondContact O-CB 3.38Å
18R95Very high95.2Very high96 Ų9631.6 Ų31.636%0.36216%0.156SC..  trans-83.243.6-171.6-56.5168.1179.6162.92.7113.1V15 K16 S20 A21 L22 V227V15-R18 VanDerWaalsContact O-CB 3.25Å; V15-R18 WeakPolarHBondContact O-CB 3.2Å; V15-R18 WeakPolarHBondContact O-CG 3.3Å; V15-R18 PolarHBondContact O-N 3.34Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 2.61Å; R18-S20 PolarHBondContact O-N 3.36Å; R18-A21 HydrophobicContact CB-CB 4.39Å; R18-A21 WeakPolarHBondContact O-CB 3.41Å; R18-A21 PolarHBondContact O-N 3.14Å; R18-L22 PolarHBondContact O-N 2.51Å; R18-L22 VanDerWaalsContact O-N 3.14Å; R18-V227 HydrophobicContact CB-CG1 4.04Å; R18-V227 VanDerWaalsContact CD-O 3.27Å; R18-V227 WeakPolarHBondContact CD-O 3.41Å; R18-V227 PolarHBondContact NH1-O 3Å
19V94.6Very high95.2Very high0 Ų029.7 Ų29.70%015%0.15CC..Hα-helixtrans-70-33.4-161.4-167.50000113.6V15 G17 A21 L22 Y23 F45 E52 I53 M56 L61V15-V19 HydrophobicContact CG1-CG2 3.97Å; G17-V19 PolarHBondContact O-N 3.16Å; V19-A21 VanDerWaalsContact C-N 3.27Å; V19-A21 PolarHBondContact O-N 2.59Å; V19-L22 WeakPolarHBondContact O-CB 3.36Å; V19-L22 PolarHBondContact O-N 3.43Å; V19-L22 VanDerWaalsContact O-N 3.16Å; V19-Y23 HydrophobicContact CG1-CD2 3.53Å; V19-Y23 HydrophobicContact CG1-CE2 3.37Å; V19-Y23 WeakPolarHBondContact O-CD2 3.25Å; V19-Y23 PolarHBondContact O-N 3.15Å; V19-F45 HydrophobicContact CG1-CZ 4.29Å; V19-F45 HydrophobicContact CG2-CE1 4.32Å; V19-F45 HydrophobicContact CG2-CZ 4.12Å; V19-E52 PolarHBondContact N-OE2 2.92Å; V19-I53 HydrophobicContact CG2-CD1 3.73Å; V19-M56 HydrophobicContact CB-SD 4.23Å; V19-M56 HydrophobicContact CG1-CE 4.42Å; V19-M56 HydrophobicContact CG1-CG 4.47Å; V19-M56 HydrophobicContact CG1-SD 3.38Å; V19-M56 WeakPolarHBondContact CG1-SD 3.37Å; V19-M56 HydrophobicContact CG2-SD 4.46Å; V19-L61 HydrophobicContact CB-CD2 4.48Å
20S94.4Very high95.1Very high36 Ų3631.5 Ų31.525%0.25216%0.159SC..Hα-helixtrans-63.3-33.9172.4-53.30000111.6R18 S24 E52 L61R18-S20 PolarHBondContact O-N 3.36Å; S20-S24 WeakPolarHBondContact O-CB 3.16Å; S20-S24 PolarHBondContact O-N 3.39Å; S20-E52 WeakPolarHBondContact CA-OE2 3.35Å; S20-E52 WeakPolarHBondContact CB-OE2 3.48Å; S20-E52 PolarHBondContact N-OE2 3.32Å; S20-E52 VanDerWaalsContact OG-CD 3.28Å; S20-E52 PolarHBondContact OG-OE2 3.07Å; S20-L61 WeakPolarHBondContact OG-CD2 3.2Å
21A95Very high94.8Very high25 Ų2538 Ų3821%0.20719%0.194CC..Hα-helixtrans-71.6-36.4174.500000111.8R18 V19 R25 V227 K228R18-A21 HydrophobicContact CB-CB 4.39Å; R18-A21 WeakPolarHBondContact O-CB 3.41Å; R18-A21 PolarHBondContact O-N 3.14Å; V19-A21 VanDerWaalsContact C-N 3.27Å; V19-A21 PolarHBondContact O-N 2.59Å; A21-R25 PolarHBondContact O-N 3.31Å; A21-V227 HydrophobicContact CB-CG1 4.24Å; A21-K228 HydrophobicContact CB-CG 3.86Å
22L96.1Very high94.6Very high0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-62.7-59.5171.8175.356.9000111.1C12 V15 R18 V19 S24 R25 V26 M39 V227 L236C12-L22 HydrophobicContact CB-CD1 4.37Å; V15-L22 HydrophobicContact CG1-CB 4.34Å; V15-L22 HydrophobicContact CG1-CD2 4.05Å; V15-L22 HydrophobicContact CG2-CD2 3.79Å; R18-L22 PolarHBondContact O-N 2.51Å; R18-L22 VanDerWaalsContact O-N 3.14Å; V19-L22 WeakPolarHBondContact O-CB 3.36Å; V19-L22 PolarHBondContact O-N 3.43Å; V19-L22 VanDerWaalsContact O-N 3.16Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 3.01Å; L22-R25 CarbonylContact O-C 3.59Å; L22-R25 WeakPolarHBondContact O-CA 3.5Å; L22-R25 WeakPolarHBondContact O-CB 3.37Å; L22-R25 PolarHBondContact O-N 2.99Å; L22-V26 HydrophobicContact CD1-CG2 3.9Å; L22-V26 HydrophobicContact CG-CG2 4.25Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.49Å; L22-M39 HydrophobicContact CD1-CE 4.49Å; L22-M39 HydrophobicContact CD1-SD 4.22Å; L22-M39 HydrophobicContact CD2-CE 3.84Å; L22-M39 HydrophobicContact CD2-SD 4.45Å; L22-M39 HydrophobicContact CG-CE 4.19Å; L22-V227 HydrophobicContact CB-CG1 4.46Å; L22-V227 HydrophobicContact CD1-CG2 4.47Å; L22-L236 HydrophobicContact CD1-CD1 4.28Å
23Y94.9Very high94.2Very high12 Ų1246.6 Ų46.65%0.04725%0.252CS..Hα-helixtrans-64.9-31.6-177.5-72.6-66.6000113V19 R25 V26 S27 M39 M56 A63 S64 L65 T67V19-Y23 HydrophobicContact CG1-CD2 3.53Å; V19-Y23 HydrophobicContact CG1-CE2 3.37Å; V19-Y23 WeakPolarHBondContact O-CD2 3.25Å; V19-Y23 PolarHBondContact O-N 3.15Å; Y23-R25 PolarHBondContact O-N 3.45Å; Y23-V26 HydrophobicContact CD1-CB 4.32Å; Y23-V26 HydrophobicContact CD1-CG1 4.48Å; Y23-V26 HydrophobicContact CD1-CG2 4.46Å; Y23-V26 PolarHBondContact O-N 3.03Å; Y23-S27 PolarHBondContact O-N 3.34Å; Y23-S27 PolarHBondContact O-OG 3.32Å; Y23-M39 HydrophobicContact CE1-CE 3.8Å; Y23-M56 HydrophobicContact CD2-CE 4.48Å; Y23-M56 HydrophobicContact CE2-CE 3.55Å; Y23-M56 HydrophobicContact CE2-SD 4.06Å; Y23-A63 HydrophobicContact CE1-CB 4.16Å; Y23-A63 HydrophobicContact CE2-CB 4.36Å; Y23-A63 VanDerWaalsContact OH-CB 3.31Å; Y23-A63 WeakPolarHBondContact OH-CB 3.34Å; Y23-S64 WeakPolarHBondContact CD1-OG 3.45Å; Y23-L65 HydrophobicContact CE1-CD2 4.3Å; Y23-T67 WeakPolarHBondContact OH-CB 3.1Å; Y23-T67 WeakPolarHBondContact OH-CG2 3.42Å; Y23-T67 PolarHBondContact OH-OG1 2.84Å
24S94.7Very high93.9Very high58 Ų5848.1 Ų48.141%0.40627%0.267SS..Hα-helixtrans-61.8-28.1169.9-170.40000113.3S20 L22 K28S20-S24 WeakPolarHBondContact O-CB 3.16Å; S20-S24 PolarHBondContact O-N 3.39Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 3.01Å; S24-K28 WeakPolarHBondContact O-CD 3.37Å; S24-K28 WeakPolarHBondContact O-CE 3.45Å; S24-K28 WeakPolarHBondContact O-CG 3.49Å; S24-K28 PolarHBondContact OG-NZ 2.74Å
25R94.8Very high93.7Very high119 Ų11955 Ų5545%0.44930%0.299SS..Hα-helixtrans-80-44.9170.4-179.759.3170.8160.6-2.5111.4A21 L22 Y23 S27 K28 V29 Y235 L236A21-R25 PolarHBondContact O-N 3.31Å; L22-R25 CarbonylContact O-C 3.59Å; L22-R25 WeakPolarHBondContact O-CA 3.5Å; L22-R25 WeakPolarHBondContact O-CB 3.37Å; L22-R25 PolarHBondContact O-N 2.99Å; Y23-R25 PolarHBondContact O-N 3.45Å; R25-S27 PolarHBondContact O-N 3.39Å; R25-K28 WeakPolarHBondContact O-CB 3.41Å; R25-K28 PolarHBondContact O-N 3.1Å; R25-K28 VanDerWaalsContact O-N 3.14Å; R25-V29 WeakPolarHBondContact O-CG2 3.49Å; R25-V29 PolarHBondContact O-N 3.3Å; R25-Y235 HydrophobicContact CB-CE2 4.42Å; R25-Y235 HydrophobicContact CG-CE2 4.14Å; R25-Y235 WeakPolarHBondContact CG-OH 3.47Å; R25-L236 HydrophobicContact CG-CD2 3.82Å
26V94.8Very high93.5Very high0 Ų055.5 Ų55.50%030%0.301CS..Hα-helixtrans-57-49.9179.9172.50000111.2L10 L22 Y23 K28 V29 I30 M39 L65 L236L10-V26 HydrophobicContact CD1-CG1 3.86Å; L10-V26 HydrophobicContact CD1-CG2 4.17Å; L22-V26 HydrophobicContact CD1-CG2 3.9Å; L22-V26 HydrophobicContact CG-CG2 4.25Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.49Å; Y23-V26 HydrophobicContact CD1-CB 4.32Å; Y23-V26 HydrophobicContact CD1-CG1 4.48Å; Y23-V26 HydrophobicContact CD1-CG2 4.46Å; Y23-V26 PolarHBondContact O-N 3.03Å; V26-K28 PolarHBondContact O-N 3.37Å; V26-V29 CarbonylContact O-C 3.53Å; V26-V29 WeakPolarHBondContact O-CA 3.46Å; V26-V29 WeakPolarHBondContact O-CB 3.45Å; V26-V29 PolarHBondContact O-N 2.83Å; V26-I30 HydrophobicContact CG1-CD1 3.7Å; V26-I30 HydrophobicContact CG1-CG1 4.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.42Å; V26-I30 PolarHBondContact O-N 3.27Å; V26-M39 HydrophobicContact CG2-CE 4.15Å; V26-M39 HydrophobicContact CG2-SD 3.75Å; V26-L65 HydrophobicContact CG1-CD2 3.74Å; V26-L236 HydrophobicContact CG2-CD2 4.37Å
27S94Very high93.3Very high48 Ų4855.7 Ų55.734%0.33631%0.305SS..Hα-helixtrans-60.5-33.7178.2-56.40000112.7Y23 R25 V29 N31Y23-S27 PolarHBondContact O-N 3.34Å; Y23-S27 PolarHBondContact O-OG 3.32Å; R25-S27 PolarHBondContact O-N 3.39Å; S27-V29 VanDerWaalsContact C-N 3.34Å; S27-N31 WeakPolarHBondContact O-CB 3.25Å; S27-N31 PolarHBondContact O-N 3.13Å; S27-N31 PolarHBondContact O-ND2 2.81Å; S27-N31 PolarHBondContact O-OD1 2.81Å
28K94.5Very high93.3Very high122 Ų12256.1 Ų56.153%0.5331%0.306SS..Hα-helixtrans-71.1-26.9173.8-69.3169.2-173.3150.90113S24 R25 V26 V32S24-K28 WeakPolarHBondContact O-CD 3.37Å; S24-K28 WeakPolarHBondContact O-CE 3.45Å; S24-K28 WeakPolarHBondContact O-CG 3.49Å; S24-K28 PolarHBondContact OG-NZ 2.74Å; R25-K28 WeakPolarHBondContact O-CB 3.41Å; R25-K28 PolarHBondContact O-N 3.1Å; R25-K28 VanDerWaalsContact O-N 3.14Å; V26-K28 PolarHBondContact O-N 3.37Å; K28-V32 WeakPolarHBondContact O-CG2 3.27Å
29V93.3Very high93.3Very high25 Ų2551.5 Ų51.515%0.15229%0.288CS..Hα-helixtrans-78.7-43.7173.7173.60000110.5L10 R25 V26 S27 N31 V32 A33 F36 L236L10-V29 HydrophobicContact CD2-CG1 4.24Å; R25-V29 WeakPolarHBondContact O-CG2 3.49Å; R25-V29 PolarHBondContact O-N 3.3Å; V26-V29 CarbonylContact O-C 3.53Å; V26-V29 WeakPolarHBondContact O-CA 3.46Å; V26-V29 WeakPolarHBondContact O-CB 3.45Å; V26-V29 PolarHBondContact O-N 2.83Å; S27-V29 VanDerWaalsContact C-N 3.34Å; V29-N31 VanDerWaalsContact C-N 3.32Å; V29-N31 PolarHBondContact O-N 3.32Å; V29-V32 PolarHBondContact O-N 2.96Å; V29-A33 PolarHBondContact O-N 2.85Å; V29-F36 HydrophobicContact CG1-CE2 3.85Å; V29-F36 HydrophobicContact CG1-CZ 4Å; V29-L236 HydrophobicContact CG2-CD2 4.24Å
30I92.5Very high93.5Very high38 Ų3851.5 Ų51.520%0.19529%0.288CS..Hα-helixtrans-57.5-44.8175.3-68.8170.4000110.9V26 V32 G34 F36V26-I30 HydrophobicContact CG1-CD1 3.7Å; V26-I30 HydrophobicContact CG1-CG1 4.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.42Å; V26-I30 PolarHBondContact O-N 3.27Å; I30-V32 PolarHBondContact O-N 2.95Å; I30-G34 WeakPolarHBondContact CA-O 3.45Å; I30-G34 CarbonylContact O-C 3.21Å; I30-G34 WeakPolarHBondContact O-CA 3.2Å; I30-G34 PolarHBondContact O-N 3.24Å; I30-F36 HydrophobicContact CG1-CD2 4.14Å
31N92.1Very high93.6Very high137 Ų13749.9 Ų49.973%0.73328%0.277SS*.Hα-helixtrans-64.5-10178.2-70.1-1.2000114.7S27 V29S27-N31 WeakPolarHBondContact O-CB 3.25Å; S27-N31 PolarHBondContact O-N 3.13Å; S27-N31 PolarHBondContact O-ND2 2.81Å; S27-N31 PolarHBondContact O-OD1 2.81Å; V29-N31 VanDerWaalsContact C-N 3.32Å; V29-N31 PolarHBondContact O-N 3.32Å
32V92.2Very high93.6Very high131 Ų13148.7 Ų48.779%0.79427%0.267SS*.Hα-helixtrans-116.6-39.4-177.6175.40000112.4K28 V29 I30K28-V32 WeakPolarHBondContact O-CG2 3.27Å; V29-V32 PolarHBondContact O-N 2.96Å; I30-V32 PolarHBondContact O-N 2.95Å
33A89.8Confident93.5Very high51 Ų5148.9 Ų48.942%0.42127%0.269SS..Hα-helixtrans-102.90.1-178.500000113.8K8 V29 F36K8-A33 PolarHBondContact NZ-O 3.46Å; V29-A33 PolarHBondContact O-N 2.85Å; A33-F36 HydrophobicContact CB-CE2 3.91Å; A33-F36 HydrophobicContact CB-CZ 4.02Å
34G89.1Confident93.4Very high32 Ų3250.5 Ų50.533%0.3328%0.278SS..  trans78-176.2-171.600000112.8I30 F36I30-G34 WeakPolarHBondContact CA-O 3.45Å; I30-G34 CarbonylContact O-C 3.21Å; I30-G34 WeakPolarHBondContact O-CA 3.2Å; I30-G34 PolarHBondContact O-N 3.24Å; G34-F36 VanDerWaalsContact O-CD2 3.27Å; G34-F36 WeakPolarHBondContact O-CD2 3.26Å; G34-F36 WeakPolarHBondContact O-CE2 3.09Å
35Q90.7Very high93.5Very high155 Ų15547.8 Ų47.872%0.72426%0.259SS*.  trans-59.8151.4179.4-169.91682.800112.5K8K8-Q35 WeakPolarHBondContact CD-O 3.44Å; K8-Q35 PolarHBondContact NZ-O 3.03Å
36F92.6Very high93.5Very high10 Ų1042.1 Ų42.14%0.04424%0.238CC..  trans-121151.1172.7-73.7-104.9000108.6K8 L10 V29 I30 A33 G34 L65 A238K8-F36 HydrophobicContact CB-CB 4.37Å; K8-F36 HydrophobicContact CB-CD1 3.77Å; K8-F36 HydrophobicContact CB-CE1 4.28Å; K8-F36 HydrophobicContact CB-CG 4.15Å; L10-F36 HydrophobicContact CD1-CG 4.35Å; L10-F36 HydrophobicContact CD2-CD1 3.75Å; L10-F36 HydrophobicContact CD2-CE1 3.51Å; L10-F36 HydrophobicContact CD2-CE2 4.3Å; L10-F36 HydrophobicContact CD2-CG 4.28Å; L10-F36 HydrophobicContact CD2-CZ 3.81Å; L10-F36 HydrophobicContact CG-CB 4.41Å; L10-F36 HydrophobicContact CG-CD1 3.63Å; L10-F36 HydrophobicContact CG-CD2 4.46Å; L10-F36 HydrophobicContact CG-CE1 3.96Å; L10-F36 HydrophobicContact CG-CG 3.93Å; L10-F36 HydrophobicContact CG-CZ 4.5Å; V29-F36 HydrophobicContact CG1-CE2 3.85Å; V29-F36 HydrophobicContact CG1-CZ 4Å; I30-F36 HydrophobicContact CG1-CD2 4.14Å; A33-F36 HydrophobicContact CB-CE2 3.91Å; A33-F36 HydrophobicContact CB-CZ 4.02Å; G34-F36 VanDerWaalsContact O-CD2 3.27Å; G34-F36 WeakPolarHBondContact O-CD2 3.26Å; G34-F36 WeakPolarHBondContact O-CE2 3.09Å; F36-L65 HydrophobicContact CB-CD1 3.66Å; F36-A238 HydrophobicContact CE1-CB 3.89Å; F36-A238 HydrophobicContact CZ-CB 3.99Å
37D90.1Very high93.3Very high68 Ų6842.2 Ų42.236%0.36424%0.239SC..SBendtrans-82.8-35.8-174.5-45.4-40.3000111.6H7 K8H7-D37 WeakPolarHBondContact CA-OD2 3.42Å; H7-D37 WeakPolarHBondContact CB-OD2 3.42Å; H7-D37 IonicContact CG-OD2 3.82Å; H7-D37 IonicContact ND1-OD2 2.7Å; H7-D37 PolarHBondContact ND1-OD2 3.24Å; K8-D37 PolarHBondContact N-OD2 3.27Å; K8-D37 PolarHBondContact O-N 2.96Å
38M93.3Very high93.3Very high15 Ų1546.3 Ų46.37%0.07426%0.262CS..EExtended strand (participates in β ladder)trans-160.1160.2-176.761.6-163.470.500112.7I9 L10 F40 P66 Y68 T104 L108I9-M38 HydrophobicContact CG1-CG 4.18Å; I9-M38 HydrophobicContact CG2-CG 4.18Å; L10-M38 PolarHBondContact N-O 3.4Å; M38-F40 HydrophobicContact CG-CE2 3.86Å; M38-F40 HydrophobicContact CG-CZ 4.45Å; M38-F40 HydrophobicContact SD-CE2 3.68Å; M38-F40 HydrophobicContact SD-CZ 3.81Å; M38-P66 CarbonylContact C-O 3.59Å; M38-P66 VanDerWaalsContact CA-O 3.28Å; M38-P66 WeakPolarHBondContact CA-O 3.15Å; M38-Y68 HydrophobicContact CB-CD2 4.12Å; M38-Y68 HydrophobicContact CB-CE2 3.82Å; M38-Y68 HydrophobicContact SD-CE2 4.3Å; M38-T104 HydrophobicContact CE-CG2 3.89Å; M38-T104 HydrophobicContact SD-CG2 4.22Å; M38-L108 HydrophobicContact SD-CD2 4.41Å
39M96.6Very high93.2Very high0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-123.9138.8170.1-177.6163.765.500110.5L10 L22 Y23 V26 L65 P66 T67 Y68 L236L10-M39 HydrophobicContact CB-CB 3.96Å; L10-M39 HydrophobicContact CB-CG 3.75Å; L10-M39 HydrophobicContact CB-SD 4.13Å; L10-M39 HydrophobicContact CD1-SD 4.2Å; L10-M39 CarbonylContact O-C 3.4Å; L10-M39 VanDerWaalsContact O-CA 3.26Å; L10-M39 WeakPolarHBondContact O-CA 3.41Å; L22-M39 HydrophobicContact CD1-CE 4.49Å; L22-M39 HydrophobicContact CD1-SD 4.22Å; L22-M39 HydrophobicContact CD2-CE 3.84Å; L22-M39 HydrophobicContact CD2-SD 4.45Å; L22-M39 HydrophobicContact CG-CE 4.19Å; Y23-M39 HydrophobicContact CE1-CE 3.8Å; V26-M39 HydrophobicContact CG2-CE 4.15Å; V26-M39 HydrophobicContact CG2-SD 3.75Å; M39-L65 HydrophobicContact CB-CD1 4.26Å; M39-L65 HydrophobicContact CB-CD2 4.26Å; M39-L65 HydrophobicContact CB-CG 4.31Å; M39-L65 HydrophobicContact CE-CD2 4.42Å; M39-P66 PolarHBondContact N-O 3.35Å; M39-T67 HydrophobicContact CB-CG2 4.45Å; M39-T67 HydrophobicContact CE-CG2 3.62Å; M39-T67 CarbonylContact O-C 3.48Å; M39-T67 WeakPolarHBondContact O-CA 3.41Å; M39-Y68 PolarHBondContact O-N 2.79Å; M39-L236 HydrophobicContact SD-CD1 4.16Å
40F97.2Very high93.2Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-108.6130.4167-63-91.6000109.6I9 L10 I11 C12 M38 Y68 L96 Y102 V110 L146 L148I9-F40 HydrophobicContact CG2-CD2 3.71Å; I9-F40 HydrophobicContact CG2-CE2 3.85Å; L10-F40 PolarHBondContact O-N 3.45Å; I11-F40 CarbonylContact C-O 3.39Å; I11-F40 WeakPolarHBondContact CA-O 3.4Å; I11-F40 HydrophobicContact CD1-CB 4.02Å; I11-F40 HydrophobicContact CD1-CD2 3.84Å; I11-F40 HydrophobicContact CD1-CG 4.32Å; C12-F40 PolarHBondContact N-O 3.09Å; M38-F40 HydrophobicContact CG-CE2 3.86Å; M38-F40 HydrophobicContact CG-CZ 4.45Å; M38-F40 HydrophobicContact SD-CE2 3.68Å; M38-F40 HydrophobicContact SD-CZ 3.81Å; F40-Y68 CarbonylContact C-O 3.31Å; F40-Y68 WeakPolarHBondContact CA-O 3.03Å; F40-Y68 HydrophobicContact CD1-CD2 4.31Å; F40-Y68 HydrophobicContact CD1-CG 4.31Å; F40-Y68 AromaticContact CE1-CD2 3.87Å; F40-Y68 HydrophobicContact CE1-CD2 3.87Å; F40-Y68 HydrophobicContact CE1-CG 4.04Å; F40-Y68 HydrophobicContact CZ-CD2 4.04Å; F40-L96 HydrophobicContact CD1-CD1 4.16Å; F40-L96 HydrophobicContact CE1-CD1 4.01Å; F40-Y102 HydrophobicContact CE1-CD1 4.2Å; F40-Y102 HydrophobicContact CZ-CD1 4.16Å; F40-Y102 HydrophobicContact CZ-CE1 4.2Å; F40-V110 HydrophobicContact CD1-CG1 4.45Å; F40-V110 HydrophobicContact CE1-CG1 3.98Å; F40-V110 HydrophobicContact CE1-CG2 4.48Å; F40-V110 HydrophobicContact CZ-CG1 4.24Å; F40-V110 HydrophobicContact CZ-CG2 3.96Å; F40-L146 HydrophobicContact CD2-CD1 4.34Å; F40-L146 HydrophobicContact CE2-CD1 4.18Å; F40-L148 HydrophobicContact CB-CD1 3.92Å; F40-L148 HydrophobicContact CD1-CD1 3.62Å; F40-L148 HydrophobicContact CE1-CD1 4.31Å; F40-L148 HydrophobicContact CG-CD1 3.79Å
41C97Very high93.3Very high1 Ų147.1 Ų47.11%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-108.8128.2174.3-59.90000109.9C12 V15 F45 Y68 V70C12-C41 HydrophobicContact CB-CB 4.48Å; V15-C41 HydrophobicContact CG2-CB 4.19Å; C41-F45 HydrophobicContact CB-CD2 3.8Å; C41-F45 HydrophobicContact CB-CE2 4.21Å; C41-Y68 PolarHBondContact N-O 3.47Å; C41-V70 PolarHBondContact O-N 2.95Å
42L95.7Very high93.4Very high1 Ų143.2 Ų43.21%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-109.4146-175.9-49.9-173.8000110.9I11 C12 G13 D14 V70 L148 F192 C194I11-L42 HydrophobicContact CG2-CD1 3.94Å; I11-L42 HydrophobicContact CG2-CG 4.17Å; C12-L42 PolarHBondContact O-N 3.28Å; G13-L42 CarbonylContact C-O 3.18Å; D14-L42 VanDerWaalsContact CA-O 3.31Å; D14-L42 WeakPolarHBondContact CA-O 3.28Å; D14-L42 PolarHBondContact N-O 3.3Å; D14-L42 VanDerWaalsContact N-O 3.12Å; L42-V70 HydrophobicContact CD2-CB 3.91Å; L42-V70 HydrophobicContact CD2-CG1 4.33Å; L42-V70 HydrophobicContact CD2-CG2 4.29Å; L42-L148 HydrophobicContact CD1-CD2 4.39Å; L42-L148 HydrophobicContact CD2-CB 3.74Å; L42-L148 HydrophobicContact CD2-CD1 4.08Å; L42-L148 HydrophobicContact CD2-CD2 4.19Å; L42-L148 HydrophobicContact CD2-CG 4.22Å; L42-F192 HydrophobicContact CD1-CB 3.66Å; L42-C194 HydrophobicContact CB-CB 4.49Å
43G93.6Very high93.4Very high3 Ų337 Ų373%0.03121%0.213CC..SBendtrans84.7-155.2176.500000112.8D14 F45 V70 S71 C194D14-G43 WeakPolarHBondContact OD1-CA 3.37Å; G43-F45 PolarHBondContact O-N 2.99Å; G43-V70 PolarHBondContact N-O 2.9Å; G43-V70 VanDerWaalsContact N-O 3.08Å; G43-S71 VanDerWaalsContact O-CA 3.29Å; G43-S71 WeakPolarHBondContact O-CA 3.32Å; G43-S71 VanDerWaalsContact O-CB 3.25Å; G43-S71 WeakPolarHBondContact O-CB 3.4Å; G43-S71 PolarHBondContact O-OG 2.96Å; G43-C194 VanDerWaalsContact CA-SG 3.57Å
44D93.8Very high93.6Very high46 Ų4640.1 Ų40.125%0.24622%0.217CC..  trans-68.5105.7177.6174.825.3000110.5D14 V15 K16 F46 G47D14-D44 PolarHBondContact OD1-N 2.76Å; V15-D44 PolarHBondContact N-O 2.93Å; K16-D44 HydrophobicContact CG-CB 4.26Å; K16-D44 PolarHBondContact N-O 2.76Å; D44-F46 PolarHBondContact OD1-N 3.28Å; D44-G47 PolarHBondContact OD1-N 3Å; D44-G47 VanDerWaalsContact OD2-CA 3.25Å; D44-G47 WeakPolarHBondContact OD2-CA 3.1Å; D44-G47 PolarHBondContact OD2-N 2.86Å
45F95.2Very high93.8Very high1 Ų143.1 Ų43.10%0.00422%0.219CC..SBendtrans-79.1-38.7172.1-174-97.1000112V15 G17 V19 C41 G43 I53 M56 I69 L93V15-F45 HydrophobicContact CB-CD2 3.94Å; V15-F45 HydrophobicContact CB-CE2 4.35Å; V15-F45 HydrophobicContact CG1-CD2 4.47Å; V15-F45 HydrophobicContact CG1-CE2 4.42Å; V15-F45 HydrophobicContact CG2-CD2 3.61Å; V15-F45 HydrophobicContact CG2-CE2 3.98Å; G17-F45 PolarHBondContact N-O 3.14Å; V19-F45 HydrophobicContact CG1-CZ 4.29Å; V19-F45 HydrophobicContact CG2-CE1 4.32Å; V19-F45 HydrophobicContact CG2-CZ 4.12Å; C41-F45 HydrophobicContact CB-CD2 3.8Å; C41-F45 HydrophobicContact CB-CE2 4.21Å; G43-F45 PolarHBondContact O-N 2.99Å; F45-I53 HydrophobicContact CD1-CD1 3.77Å; F45-I53 HydrophobicContact CE1-CD1 3.58Å; F45-M56 HydrophobicContact CZ-SD 4.5Å; F45-I69 HydrophobicContact CB-CG2 3.61Å; F45-I69 HydrophobicContact CD1-CD1 3.57Å; F45-I69 HydrophobicContact CD1-CG1 4.15Å; F45-I69 HydrophobicContact CD2-CD1 4.24Å; F45-I69 HydrophobicContact CD2-CG1 3.91Å; F45-I69 HydrophobicContact CD2-CG2 4.38Å; F45-I69 HydrophobicContact CE1-CD1 3.64Å; F45-I69 HydrophobicContact CE1-CG1 4.32Å; F45-I69 HydrophobicContact CE2-CD1 4.3Å; F45-I69 HydrophobicContact CE2-CG1 4.1Å; F45-I69 HydrophobicContact CG-CD1 3.89Å; F45-I69 HydrophobicContact CG-CG1 3.94Å; F45-I69 HydrophobicContact CG-CG2 3.94Å; F45-I69 HydrophobicContact CZ-CD1 4.02Å; F45-I69 HydrophobicContact CZ-CG1 4.31Å; F45-L93 HydrophobicContact CE1-CD1 4.39Å; F45-L93 HydrophobicContact CE1-CD2 4.34Å; F45-L93 HydrophobicContact CZ-CD1 3.88Å; F45-L93 HydrophobicContact CZ-CD2 4.49Å
46F94.6Very high93.9Very high0 Ų036 Ų360%019%0.185CC..SBendtrans-81.5-39-163-62.8-82.9000113.4G17 D44 I53 I76 A77 Y80 C81 L89G17-F46 WeakPolarHBondContact CA-O 3.47Å; G17-F46 PolarHBondContact N-O 2.83Å; D44-F46 PolarHBondContact OD1-N 3.28Å; F46-I53 HydrophobicContact CD1-CD1 4.27Å; F46-I53 HydrophobicContact CD1-CG1 4.37Å; F46-I53 HydrophobicContact CD1-CG2 4.05Å; F46-I53 HydrophobicContact CE1-CG2 4.34Å; F46-I76 HydrophobicContact CB-CG2 3.89Å; F46-A77 HydrophobicContact CD2-CB 3.86Å; F46-A77 HydrophobicContact CE2-CB 3.62Å; F46-A77 HydrophobicContact CZ-CB 4.28Å; F46-Y80 AromaticContact CD1-CD2 3.65Å; F46-Y80 HydrophobicContact CD1-CD2 3.65Å; F46-Y80 HydrophobicContact CD1-CE2 4.25Å; F46-Y80 HydrophobicContact CD1-CG 4.41Å; F46-Y80 AromaticContact CE1-CD2 3.84Å; F46-Y80 HydrophobicContact CE1-CD2 3.84Å; F46-Y80 HydrophobicContact CE1-CG 4.2Å; F46-C81 VanDerWaalsContact CZ-SG 3.59Å; F46-L89 HydrophobicContact CE1-CD1 4.17Å; F46-L89 HydrophobicContact CZ-CD1 4.17Å
47G92.6Very high93.8Very high2 Ų238.8 Ų38.82%0.02120%0.2CC..  trans69174.7-174.400000114.1K16 D44 I76K16-G47 VanDerWaalsContact C-CA 3.46Å; D44-G47 PolarHBondContact OD1-N 3Å; D44-G47 VanDerWaalsContact OD2-CA 3.25Å; D44-G47 WeakPolarHBondContact OD2-CA 3.1Å; D44-G47 PolarHBondContact OD2-N 2.86Å; G47-I76 WeakPolarHBondContact O-CD1 3.29Å
48T92.6Very high93.8Very high135 Ų13540.6 Ų40.683%0.82821%0.209SC*.SBendtrans-76.4-30171.753.70000112.6
49E92.9Very high93.5Very high119 Ų11942.5 Ų42.556%0.55623%0.233SC*.  trans-100.1115.2175.9175.646.5-109.700109S51E49-S51 WeakPolarHBondContact OE1-CB 3.36Å; E49-S51 PolarHBondContact OE1-N 2.8Å; E49-S51 PolarHBondContact OE1-OG 3.19Å
50T93Very high93.1Very high22 Ų2245.5 Ų45.514%0.13525%0.254CS..  trans-116.77.8-166.456.80000114E52 I53 K54 I76 Y80T50-E52 VanDerWaalsContact C-N 3.27Å; T50-E52 PolarHBondContact O-N 3.34Å; T50-I53 WeakPolarHBondContact O-CB 3.47Å; T50-I53 PolarHBondContact O-N 2.99Å; T50-K54 PolarHBondContact O-N 3.45Å; T50-I76 HydrophobicContact CG2-CG2 3.71Å; T50-Y80 VanDerWaalsContact CB-OH 3.26Å; T50-Y80 WeakPolarHBondContact CB-OH 3.31Å; T50-Y80 HydrophobicContact CG2-CE2 4.11Å; T50-Y80 PolarHBondContact OG1-OH 3.14Å; T50-Y80 VanDerWaalsContact OG1-OH 3.07Å
51S94Very high92.7Very high61 Ų6147 Ų4743%0.42726%0.262SS..Hα-helixtrans-56-37.7175.249.20000113.3E49 R55E49-S51 WeakPolarHBondContact OE1-CB 3.36Å; E49-S51 PolarHBondContact OE1-N 2.8Å; E49-S51 PolarHBondContact OE1-OG 3.19Å; S51-R55 WeakPolarHBondContact O-CG 3.46Å; S51-R55 PolarHBondContact O-N 2.85Å; S51-R55 VanDerWaalsContact O-N 3.14Å
52E94.2Very high92.2Very high55 Ų5550.8 Ų50.826%0.25729%0.294SS..Hα-helixtrans-72.2-30.6174.9-63.4-163.1-16000113.4G17 V19 S20 T50 R55 M56G17-E52 WeakPolarHBondContact O-CB 3.38Å; V19-E52 PolarHBondContact N-OE2 2.92Å; S20-E52 WeakPolarHBondContact CA-OE2 3.35Å; S20-E52 WeakPolarHBondContact CB-OE2 3.48Å; S20-E52 PolarHBondContact N-OE2 3.32Å; S20-E52 VanDerWaalsContact OG-CD 3.28Å; S20-E52 PolarHBondContact OG-OE2 3.07Å; T50-E52 VanDerWaalsContact C-N 3.27Å; T50-E52 PolarHBondContact O-N 3.34Å; E52-R55 PolarHBondContact O-N 2.94Å; E52-M56 PolarHBondContact O-N 2.99Å
53I93.4Very high91.9Very high1 Ų151.1 Ų51.11%0.00530%0.296CS..Hα-helixtrans-65.8-48.2173.7-56-67.6000110.1V19 F45 F46 T50 R55 M56 I57 Y80V19-I53 HydrophobicContact CG2-CD1 3.73Å; F45-I53 HydrophobicContact CD1-CD1 3.77Å; F45-I53 HydrophobicContact CE1-CD1 3.58Å; F46-I53 HydrophobicContact CD1-CD1 4.27Å; F46-I53 HydrophobicContact CD1-CG1 4.37Å; F46-I53 HydrophobicContact CD1-CG2 4.05Å; F46-I53 HydrophobicContact CE1-CG2 4.34Å; T50-I53 WeakPolarHBondContact O-CB 3.47Å; T50-I53 PolarHBondContact O-N 2.99Å; I53-R55 PolarHBondContact O-N 3.31Å; I53-M56 WeakPolarHBondContact O-CB 3.35Å; I53-M56 PolarHBondContact O-N 3.07Å; I53-I57 HydrophobicContact CG2-CD1 4.11Å; I53-I57 PolarHBondContact O-N 3Å; I53-Y80 HydrophobicContact CG2-CD1 4.24Å; I53-Y80 HydrophobicContact CG2-CD2 4.17Å; I53-Y80 HydrophobicContact CG2-CE1 4.2Å; I53-Y80 HydrophobicContact CG2-CE2 4.12Å; I53-Y80 HydrophobicContact CG2-CG 4.23Å
54K93.4Very high91.6Very high116 Ų11653.7 Ų53.750%0.50431%0.314SS..Hα-helixtrans-57.1-39.9176.1-67.3176.5-174.7-176.40111.4T50 M56 I57 D58 Y80T50-K54 PolarHBondContact O-N 3.45Å; K54-M56 VanDerWaalsContact C-N 3.27Å; K54-M56 PolarHBondContact O-N 2.9Å; K54-I57 PolarHBondContact O-N 2.57Å; K54-I57 VanDerWaalsContact O-N 3.17Å; K54-D58 PolarHBondContact O-N 3.13Å; K54-Y80 WeakPolarHBondContact CE-OH 2.96Å; K54-Y80 HydrophobicContact CG-CE1 4.08Å
55R94.1Very high91.5Very high95 Ų9551.9 Ų51.936%0.35830%0.304SS..Hα-helixtrans-66.3-20.3174.9-76.9-174.857.5-122.3-15.1115.2S51 E52 I53 D58 S60 L61S51-R55 WeakPolarHBondContact O-CG 3.46Å; S51-R55 PolarHBondContact O-N 2.85Å; S51-R55 VanDerWaalsContact O-N 3.14Å; E52-R55 PolarHBondContact O-N 2.94Å; I53-R55 PolarHBondContact O-N 3.31Å; R55-D58 WeakPolarHBondContact CA-OD1 3.35Å; R55-S60 WeakPolarHBondContact CB-OG 3.49Å; R55-S60 WeakPolarHBondContact CG-OG 3.24Å; R55-S60 PolarHBondContact NE-OG 2.78Å; R55-S60 PolarHBondContact NH2-O 3.32Å; R55-S60 CarbonylContact O-C 3.55Å; R55-S60 PolarHBondContact O-N 3.12Å; R55-S60 PolarHBondContact O-OG 2.75Å; R55-L61 HydrophobicContact CB-CB 4.3Å; R55-L61 WeakPolarHBondContact O-CB 3.36Å; R55-L61 PolarHBondContact O-N 3.36Å
56M91.7Very high91.4Very high4 Ų453.9 Ų53.92%0.0232%0.317CS..Hα-helixtrans-76.5-46.4168.1-65.6-162.272.300111V19 Y23 F45 E52 I53 K54 D58 G59 L61 A63 L93V19-M56 HydrophobicContact CB-SD 4.23Å; V19-M56 HydrophobicContact CG1-CE 4.42Å; V19-M56 HydrophobicContact CG1-CG 4.47Å; V19-M56 HydrophobicContact CG1-SD 3.38Å; V19-M56 WeakPolarHBondContact CG1-SD 3.37Å; V19-M56 HydrophobicContact CG2-SD 4.46Å; Y23-M56 HydrophobicContact CD2-CE 4.48Å; Y23-M56 HydrophobicContact CE2-CE 3.55Å; Y23-M56 HydrophobicContact CE2-SD 4.06Å; F45-M56 HydrophobicContact CZ-SD 4.5Å; E52-M56 PolarHBondContact O-N 2.99Å; I53-M56 WeakPolarHBondContact O-CB 3.35Å; I53-M56 PolarHBondContact O-N 3.07Å; K54-M56 VanDerWaalsContact C-N 3.27Å; K54-M56 PolarHBondContact O-N 2.9Å; M56-D58 PolarHBondContact O-N 3.15Å; M56-G59 PolarHBondContact O-N 2.69Å; M56-L61 WeakPolarHBondContact CA-O 3.36Å; M56-L61 HydrophobicContact CG-CB 4.19Å; M56-L61 HydrophobicContact CG-CD2 4.02Å; M56-L61 HydrophobicContact CG-CG 4.16Å; M56-L61 WeakPolarHBondContact CG-O 3.31Å; M56-A63 HydrophobicContact CE-CB 3.76Å; M56-L93 HydrophobicContact CB-CD2 4.39Å; M56-L93 HydrophobicContact CE-CD1 4.24Å; M56-L93 HydrophobicContact CE-CD2 3.9Å; M56-L93 HydrophobicContact CE-CG 4.48Å; M56-L93 HydrophobicContact SD-CD2 3.86Å
57I90Very high91.5Very high70 Ų7053.9 Ų53.936%0.35932%0.317SS..Hα-helixtrans-67.6-35.4-176.1-60.8169.8000111.3I53 K54 G59 Y80I53-I57 HydrophobicContact CG2-CD1 4.11Å; I53-I57 PolarHBondContact O-N 3Å; K54-I57 PolarHBondContact O-N 2.57Å; K54-I57 VanDerWaalsContact O-N 3.17Å; I57-G59 PolarHBondContact O-N 2.9Å; I57-Y80 HydrophobicContact CD1-CD1 3.42Å; I57-Y80 VanDerWaalsContact CD1-CD1 3.42Å; I57-Y80 HydrophobicContact CD1-CE1 4.07Å; I57-Y80 HydrophobicContact CD1-CG 4.14Å
58D91.4Very high91.6Very high105 Ų10555.5 Ų55.556%0.56132%0.323SS*.THydrogen-bonded Turntrans-76.9-2.2172.273.129.8000114.5K54 R55 M56 S60K54-D58 PolarHBondContact O-N 3.13Å; R55-D58 WeakPolarHBondContact CA-OD1 3.35Å; M56-D58 PolarHBondContact O-N 3.15Å; D58-S60 VanDerWaalsContact C-N 3.32Å; D58-S60 PolarHBondContact O-N 2.82Å; D58-S60 WeakPolarHBondContact OD1-CB 3.39Å; D58-S60 PolarHBondContact OD1-N 3.12Å; D58-S60 PolarHBondContact OD1-OG 3.22Å
59G87.1Confident91.8Very high55 Ų5549.1 Ų49.157%0.56728%0.283SS*.SBendtrans80.5-2178.800000115.8M56 I57 L61M56-G59 PolarHBondContact O-N 2.69Å; I57-G59 PolarHBondContact O-N 2.9Å; G59-L61 PolarHBondContact O-N 3.24Å
60S88Confident91.9Very high64 Ų6443.4 Ų43.445%0.44826%0.257SS..SBendtrans-76.61.3177.872.50000115R55 D58R55-S60 WeakPolarHBondContact CB-OG 3.49Å; R55-S60 WeakPolarHBondContact CG-OG 3.24Å; R55-S60 PolarHBondContact NE-OG 2.78Å; R55-S60 PolarHBondContact NH2-O 3.32Å; R55-S60 CarbonylContact O-C 3.55Å; R55-S60 PolarHBondContact O-N 3.12Å; R55-S60 PolarHBondContact O-OG 2.75Å; D58-S60 VanDerWaalsContact C-N 3.32Å; D58-S60 PolarHBondContact O-N 2.82Å; D58-S60 WeakPolarHBondContact OD1-CB 3.39Å; D58-S60 PolarHBondContact OD1-N 3.12Å; D58-S60 PolarHBondContact OD1-OG 3.22Å
61L88.8Confident91.9Very high31 Ų3142.4 Ų42.416%0.16225%0.251CS..SBendtrans-147.689.1172.3-177.462.2000110.5V19 S20 R55 M56 G59V19-L61 HydrophobicContact CB-CD2 4.48Å; S20-L61 WeakPolarHBondContact OG-CD2 3.2Å; R55-L61 HydrophobicContact CB-CB 4.3Å; R55-L61 WeakPolarHBondContact O-CB 3.36Å; R55-L61 PolarHBondContact O-N 3.36Å; M56-L61 WeakPolarHBondContact CA-O 3.36Å; M56-L61 HydrophobicContact CG-CB 4.19Å; M56-L61 HydrophobicContact CG-CD2 4.02Å; M56-L61 HydrophobicContact CG-CG 4.16Å; M56-L61 WeakPolarHBondContact CG-O 3.31Å; G59-L61 PolarHBondContact O-N 3.24Å
62A86.3Confident91.7Very high81 Ų8140.6 Ų40.667%0.66924%0.237SC*.  trans-72.1139.6-179.100000113.6
63A88.6Confident91.5Very high7 Ų740.6 Ų40.66%0.05824%0.236CC..  trans-70.1126.7166.500000110.7Y23 M56 L65 N92Y23-A63 HydrophobicContact CE1-CB 4.16Å; Y23-A63 HydrophobicContact CE2-CB 4.36Å; Y23-A63 VanDerWaalsContact OH-CB 3.31Å; Y23-A63 WeakPolarHBondContact OH-CB 3.34Å; M56-A63 HydrophobicContact CE-CB 3.76Å; A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 PolarHBondContact O-N 3.35Å; A63-N92 HydrophobicContact CB-CB 3.74Å; A63-N92 PolarHBondContact O-ND2 3.03Å
64S88.1Confident91.4Very high57 Ų5743.5 Ų43.540%0.39925%0.253SS..SBendtrans-82-5.1-174.658.90000115.4Y23Y23-S64 WeakPolarHBondContact CD1-OG 3.45Å
65L91.9Very high91.2Very high8 Ų845 Ų454%0.04226%0.262CS..SBendtrans-159.3160.8170.776.4171.8000109.5L10 Y23 V26 F36 M39 A63 T67L10-L65 HydrophobicContact CD1-CD1 4.35Å; Y23-L65 HydrophobicContact CE1-CD2 4.3Å; V26-L65 HydrophobicContact CG1-CD2 3.74Å; F36-L65 HydrophobicContact CB-CD1 3.66Å; M39-L65 HydrophobicContact CB-CD1 4.26Å; M39-L65 HydrophobicContact CB-CD2 4.26Å; M39-L65 HydrophobicContact CB-CG 4.31Å; M39-L65 HydrophobicContact CE-CD2 4.42Å; A63-L65 VanDerWaalsContact C-N 3.32Å; A63-L65 PolarHBondContact O-N 3.35Å; L65-T67 PolarHBondContact O-N 3.23Å; L65-T67 PolarHBondContact O-OG1 2.86Å
66P92.9Very high91.1Very high43 Ų4342.8 Ų42.828%0.27926%0.257SS..  trans-50.3120.9173.7-28.235.6000112M38 M39 Y68M38-P66 CarbonylContact C-O 3.59Å; M38-P66 VanDerWaalsContact CA-O 3.28Å; M38-P66 WeakPolarHBondContact CA-O 3.15Å; M39-P66 PolarHBondContact N-O 3.35Å; P66-Y68 HydrophobicContact CB-CE2 4.33Å
67T95.7Very high91.1Very high0 Ų042.6 Ų42.60%026%0.256CS..EExtended strand (participates in β ladder)trans-124.7115.2-172.2-590000110Y23 M39 L65 N92 L93 T94Y23-T67 WeakPolarHBondContact OH-CB 3.1Å; Y23-T67 WeakPolarHBondContact OH-CG2 3.42Å; Y23-T67 PolarHBondContact OH-OG1 2.84Å; M39-T67 HydrophobicContact CB-CG2 4.45Å; M39-T67 HydrophobicContact CE-CG2 3.62Å; M39-T67 CarbonylContact O-C 3.48Å; M39-T67 WeakPolarHBondContact O-CA 3.41Å; L65-T67 PolarHBondContact O-N 3.23Å; L65-T67 PolarHBondContact O-OG1 2.86Å; T67-N92 WeakPolarHBondContact CB-O 3.44Å; T67-N92 PolarHBondContact N-O 2.83Å; T67-L93 HydrophobicContact CG2-CD1 3.82Å; T67-L93 WeakPolarHBondContact O-CA 3.34Å; T67-T94 PolarHBondContact O-N 3.4Å
68Y95.9Very high91.2Very high37 Ų3744.1 Ų44.115%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-101126.1-177.8-63.1-68.8000110.6M38 M39 F40 C41 P66 T94 L96 Y102M38-Y68 HydrophobicContact CB-CD2 4.12Å; M38-Y68 HydrophobicContact CB-CE2 3.82Å; M38-Y68 HydrophobicContact SD-CE2 4.3Å; M39-Y68 PolarHBondContact O-N 2.79Å; F40-Y68 CarbonylContact C-O 3.31Å; F40-Y68 WeakPolarHBondContact CA-O 3.03Å; F40-Y68 HydrophobicContact CD1-CD2 4.31Å; F40-Y68 HydrophobicContact CD1-CG 4.31Å; F40-Y68 AromaticContact CE1-CD2 3.87Å; F40-Y68 HydrophobicContact CE1-CD2 3.87Å; F40-Y68 HydrophobicContact CE1-CG 4.04Å; F40-Y68 HydrophobicContact CZ-CD2 4.04Å; C41-Y68 PolarHBondContact N-O 3.47Å; P66-Y68 HydrophobicContact CB-CE2 4.33Å; Y68-T94 CarbonylContact C-O 3.56Å; Y68-T94 WeakPolarHBondContact CA-O 3.07Å; Y68-T94 HydrophobicContact CD1-CG2 4.48Å; Y68-L96 HydrophobicContact CD1-CD2 3.76Å; Y68-L96 HydrophobicContact CD1-CG 4.14Å; Y68-L96 HydrophobicContact CE1-CD2 4.47Å; Y68-L96 HydrophobicContact CG-CD1 4.39Å; Y68-L96 HydrophobicContact CG-CD2 4.4Å; Y68-L96 HydrophobicContact CG-CG 4.41Å; Y68-Y102 HydrophobicContact CE1-CE2 4.35Å; Y68-Y102 HydrophobicContact CE2-CE1 4.43Å; Y68-Y102 AromaticContact CZ-CZ 3.9Å; Y68-Y102 PolarHBondContact OH-OH 3.05Å; Y68-Y102 VanDerWaalsContact OH-OH 3.05Å
69I96Very high91.2Very high0 Ų045.6 Ų45.60%026%0.263CS..EExtended strand (participates in β ladder)trans-102.2123.4-176.8-57.5162.1000110F45 L89 L93 T94 Y95 L96F45-I69 HydrophobicContact CB-CG2 3.61Å; F45-I69 HydrophobicContact CD1-CD1 3.57Å; F45-I69 HydrophobicContact CD1-CG1 4.15Å; F45-I69 HydrophobicContact CD2-CD1 4.24Å; F45-I69 HydrophobicContact CD2-CG1 3.91Å; F45-I69 HydrophobicContact CD2-CG2 4.38Å; F45-I69 HydrophobicContact CE1-CD1 3.64Å; F45-I69 HydrophobicContact CE1-CG1 4.32Å; F45-I69 HydrophobicContact CE2-CD1 4.3Å; F45-I69 HydrophobicContact CE2-CG1 4.1Å; F45-I69 HydrophobicContact CG-CD1 3.89Å; F45-I69 HydrophobicContact CG-CG1 3.94Å; F45-I69 HydrophobicContact CG-CG2 3.94Å; F45-I69 HydrophobicContact CZ-CD1 4.02Å; F45-I69 HydrophobicContact CZ-CG1 4.31Å; I69-L89 HydrophobicContact CD1-CD1 3.69Å; I69-L93 HydrophobicContact CD1-CD1 3.86Å; I69-L93 HydrophobicContact CD1-CD2 4.4Å; I69-L93 HydrophobicContact CD1-CG 3.98Å; I69-L93 HydrophobicContact CG1-CD1 4.24Å; I69-T94 PolarHBondContact N-O 2.79Å; I69-Y95 HydrophobicContact CB-CD2 4.15Å; I69-Y95 HydrophobicContact CG2-CD2 4.02Å; I69-Y95 WeakPolarHBondContact O-CD2 3.44Å; I69-L96 PolarHBondContact O-N 3.17Å
70V94.5Very high91.5Very high0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-111.484.4170.5178.30000107.3C41 L42 G43 L96 Y112 A114 L148C41-V70 PolarHBondContact O-N 2.95Å; L42-V70 HydrophobicContact CD2-CB 3.91Å; L42-V70 HydrophobicContact CD2-CG1 4.33Å; L42-V70 HydrophobicContact CD2-CG2 4.29Å; G43-V70 PolarHBondContact N-O 2.9Å; G43-V70 VanDerWaalsContact N-O 3.08Å; V70-L96 HydrophobicContact CG2-CD1 4.03Å; V70-Y112 HydrophobicContact CG1-CD2 4.41Å; V70-Y112 HydrophobicContact CG2-CD2 4.35Å; V70-Y112 HydrophobicContact CG2-CG 4.13Å; V70-A114 HydrophobicContact CG1-CB 3.91Å; V70-L148 HydrophobicContact CG2-CD1 4.21Å
71S93Very high91.5Very high0 Ų042 Ų420%022%0.223CC..  trans-123.6145.2-173.9174.70000111.1G43 Y95 A114G43-S71 VanDerWaalsContact O-CA 3.29Å; G43-S71 WeakPolarHBondContact O-CA 3.32Å; G43-S71 VanDerWaalsContact O-CB 3.25Å; G43-S71 WeakPolarHBondContact O-CB 3.4Å; G43-S71 PolarHBondContact O-OG 2.96Å; S71-Y95 VanDerWaalsContact O-CE2 3.3Å; S71-Y95 WeakPolarHBondContact O-CE2 3.11Å; S71-Y95 PolarHBondContact O-OH 3.39Å; S71-A114 VanDerWaalsContact C-CB 3.46Å
72P90.9Very high91.1Very high23 Ų2348.8 Ų48.815%0.14925%0.254CS..  trans-60.1143.1170.6-1527.2000110.8T74 A114P72-T74 HydrophobicContact CB-CG2 4.16Å; P72-T74 PolarHBondContact O-N 2.66Å; P72-A114 WeakPolarHBondContact CG-O 3.12Å
73Y90.3Very high91Very high56 Ų5646.5 Ų46.522%0.2224%0.235CC..  trans-82.359.2-175.4-166.5-115.9000112.4A77 Q78 C81 Q82 A83 E84 Y95Y73-A77 HydrophobicContact CD2-CB 4.44Å; Y73-Q78 HydrophobicContact CD1-CG 3.9Å; Y73-Q78 HydrophobicContact CD2-CG 4.47Å; Y73-Q78 HydrophobicContact CE1-CG 3.5Å; Y73-Q78 HydrophobicContact CE2-CG 4.12Å; Y73-Q78 HydrophobicContact CG-CG 4.36Å; Y73-Q78 PolarHBondContact O-NE2 3.2Å; Y73-C81 HydrophobicContact CD2-CB 4.28Å; Y73-C81 HydrophobicContact CE2-CB 3.69Å; Y73-C81 PolarHBondContact OH-O 3.33Å; Y73-Q82 PolarHBondContact OH-O 3.32Å; Y73-A83 WeakPolarHBondContact CE2-O 3.36Å; Y73-E84 HydrophobicContact CD1-CB 3.75Å; Y73-E84 HydrophobicContact CD1-CG 3.91Å; Y73-E84 HydrophobicContact CD2-CB 4.35Å; Y73-E84 HydrophobicContact CE1-CB 3.96Å; Y73-E84 HydrophobicContact CG-CB 3.97Å; Y73-E84 HydrophobicContact CG-CG 3.87Å; Y73-Y95 AromaticContact CD2-CE1 3.81Å; Y73-Y95 HydrophobicContact CD2-CE1 3.81Å; Y73-Y95 HydrophobicContact CE2-CE1 4.29Å
74T89.9Confident90.8Very high62 Ų6250 Ų5038%0.3825%0.25SC..  trans-70.2168.1-177.1670000113.1P72 I76 A77 Q78P72-T74 HydrophobicContact CB-CG2 4.16Å; P72-T74 PolarHBondContact O-N 2.66Å; T74-I76 PolarHBondContact O-N 2.86Å; T74-I76 PolarHBondContact OG1-N 2.78Å; T74-A77 PolarHBondContact O-N 2.75Å; T74-A77 PolarHBondContact OG1-N 3.16Å; T74-Q78 VanDerWaalsContact O-CG 3.3Å; T74-Q78 WeakPolarHBondContact O-CG 3.41Å; T74-Q78 PolarHBondContact O-N 3.28Å
75E90.8Very high90.5Very high148 Ų14852 Ų5269%0.69226%0.264SS*.THydrogen-bonded Turntrans-53.2-18.2169.5-61.6-178.4-17300114.3K79E75-K79 WeakPolarHBondContact O-CE 3.46Å; E75-K79 WeakPolarHBondContact O-CG 3.3Å; E75-K79 PolarHBondContact O-NZ 2.96Å
76I92Very high90.2Very high47 Ų4752.5 Ų52.524%0.24127%0.272CS..THydrogen-bonded Turntrans-89.2-42.6174.8-54.5-175.8000110.3F46 G47 T50 T74 Q78 K79 Y80F46-I76 HydrophobicContact CB-CG2 3.89Å; G47-I76 WeakPolarHBondContact O-CD1 3.29Å; T50-I76 HydrophobicContact CG2-CG2 3.71Å; T74-I76 PolarHBondContact O-N 2.86Å; T74-I76 PolarHBondContact OG1-N 2.78Å; I76-Q78 VanDerWaalsContact C-N 3.32Å; I76-Q78 PolarHBondContact O-N 2.68Å; I76-K79 WeakPolarHBondContact O-CB 3.5Å; I76-K79 PolarHBondContact O-N 3.13Å; I76-Y80 HydrophobicContact CG2-CE2 4.46Å; I76-Y80 WeakPolarHBondContact O-CD2 3.25Å
77A91.1Very high89.9Confident0 Ų051.5 Ų51.50%027%0.265CS..G310 helixtrans-59.4-42.9173.400000111.3F46 Y73 T74 K79 Y80 C81F46-A77 HydrophobicContact CD2-CB 3.86Å; F46-A77 HydrophobicContact CE2-CB 3.62Å; F46-A77 HydrophobicContact CZ-CB 4.28Å; Y73-A77 HydrophobicContact CD2-CB 4.44Å; T74-A77 PolarHBondContact O-N 2.75Å; T74-A77 PolarHBondContact OG1-N 3.16Å; A77-K79 PolarHBondContact O-N 2.84Å; A77-Y80 PolarHBondContact O-N 2.9Å; A77-C81 WeakPolarHBondContact O-CB 3.29Å; A77-C81 PolarHBondContact O-N 2.53Å
78Q91.8Very high89.6Confident103 Ų10357.5 Ų57.548%0.48129%0.293SS..G310 helixtrans-57.7-14.7176.8-71.3165.223.100114.9Y73 T74 I76 Y80Y73-Q78 HydrophobicContact CD1-CG 3.9Å; Y73-Q78 HydrophobicContact CD2-CG 4.47Å; Y73-Q78 HydrophobicContact CE1-CG 3.5Å; Y73-Q78 HydrophobicContact CE2-CG 4.12Å; Y73-Q78 HydrophobicContact CG-CG 4.36Å; Y73-Q78 PolarHBondContact O-NE2 3.2Å; T74-Q78 VanDerWaalsContact O-CG 3.3Å; T74-Q78 WeakPolarHBondContact O-CG 3.41Å; T74-Q78 PolarHBondContact O-N 3.28Å; I76-Q78 VanDerWaalsContact C-N 3.32Å; I76-Q78 PolarHBondContact O-N 2.68Å; Q78-Y80 VanDerWaalsContact C-N 3.29Å
79K92.6Very high89.2Confident136 Ų13656.7 Ų56.759%0.59129%0.291SS*.G310 helixtrans-83.5-5.9174.9-63.9173.2177.51040113.3E75 I76 A77E75-K79 WeakPolarHBondContact O-CE 3.46Å; E75-K79 WeakPolarHBondContact O-CG 3.3Å; E75-K79 PolarHBondContact O-NZ 2.96Å; I76-K79 WeakPolarHBondContact O-CB 3.5Å; I76-K79 PolarHBondContact O-N 3.13Å; A77-K79 PolarHBondContact O-N 2.84Å
80Y91.6Very high88.9Confident42 Ų4257.9 Ų57.917%0.16530%0.299CS..THydrogen-bonded Turntrans-135-37.9-175.7-56.8-67.2000112F46 T50 I53 K54 I57 I76 A77 Q78 L89F46-Y80 AromaticContact CD1-CD2 3.65Å; F46-Y80 HydrophobicContact CD1-CD2 3.65Å; F46-Y80 HydrophobicContact CD1-CE2 4.25Å; F46-Y80 HydrophobicContact CD1-CG 4.41Å; F46-Y80 AromaticContact CE1-CD2 3.84Å; F46-Y80 HydrophobicContact CE1-CD2 3.84Å; F46-Y80 HydrophobicContact CE1-CG 4.2Å; T50-Y80 VanDerWaalsContact CB-OH 3.26Å; T50-Y80 WeakPolarHBondContact CB-OH 3.31Å; T50-Y80 HydrophobicContact CG2-CE2 4.11Å; T50-Y80 PolarHBondContact OG1-OH 3.14Å; T50-Y80 VanDerWaalsContact OG1-OH 3.07Å; I53-Y80 HydrophobicContact CG2-CD1 4.24Å; I53-Y80 HydrophobicContact CG2-CD2 4.17Å; I53-Y80 HydrophobicContact CG2-CE1 4.2Å; I53-Y80 HydrophobicContact CG2-CE2 4.12Å; I53-Y80 HydrophobicContact CG2-CG 4.23Å; K54-Y80 WeakPolarHBondContact CE-OH 2.96Å; K54-Y80 HydrophobicContact CG-CE1 4.08Å; I57-Y80 HydrophobicContact CD1-CD1 3.42Å; I57-Y80 VanDerWaalsContact CD1-CD1 3.42Å; I57-Y80 HydrophobicContact CD1-CE1 4.07Å; I57-Y80 HydrophobicContact CD1-CG 4.14Å; I76-Y80 HydrophobicContact CG2-CE2 4.46Å; I76-Y80 WeakPolarHBondContact O-CD2 3.25Å; A77-Y80 PolarHBondContact O-N 2.9Å; Q78-Y80 VanDerWaalsContact C-N 3.29Å; Y80-L89 VanDerWaalsContact O-CD2 3.22Å; Y80-L89 WeakPolarHBondContact O-CD2 3.25Å
81C88.3Confident88.5Confident1 Ų163.8 Ų63.81%0.00733%0.331CS..  trans-92.7114.3179.4-61.40000111.1F46 Y73 A77 A83 C87 Y95F46-C81 VanDerWaalsContact CZ-SG 3.59Å; Y73-C81 HydrophobicContact CD2-CB 4.28Å; Y73-C81 HydrophobicContact CE2-CB 3.69Å; Y73-C81 PolarHBondContact OH-O 3.33Å; A77-C81 WeakPolarHBondContact O-CB 3.29Å; A77-C81 PolarHBondContact O-N 2.53Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.07Å; C81-C87 VanDerWaalsContact CA-SG 3.57Å; C81-Y95 HydrophobicContact CB-CD1 3.73Å; C81-Y95 HydrophobicContact CB-CE1 4.06Å; C81-Y95 HydrophobicContact CB-CG 4.37Å; C81-Y95 WeakPolarHBondContact SG-CD1 3.45Å
82Q80.7Confident88.3Confident173 Ų17366.5 Ų66.581%0.80835%0.345SS*.SBendtrans-63.3-35.9-178.6-66.6171.7-17.600113Y73Y73-Q82 PolarHBondContact OH-O 3.32Å
83A84.3Confident88.4Confident34 Ų3465.4 Ų65.428%0.28134%0.338SS..  trans-136.7153.6-177.500000112.6Y73 C81 S85 G86Y73-A83 WeakPolarHBondContact CE2-O 3.36Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.07Å; A83-S85 WeakPolarHBondContact CB-OG 3.3Å; A83-S85 PolarHBondContact O-N 3.32Å; A83-G86 PolarHBondContact O-N 3.2Å
84E85.6Confident88.5Confident79 Ų7964.6 Ų64.637%0.36934%0.339SS..THydrogen-bonded Turntrans-69.5-22.5173.4-168.9-174.9148.300112.3Y73 G86 G97 S98 K99Y73-E84 HydrophobicContact CD1-CB 3.75Å; Y73-E84 HydrophobicContact CD1-CG 3.91Å; Y73-E84 HydrophobicContact CD2-CB 4.35Å; Y73-E84 HydrophobicContact CE1-CB 3.96Å; Y73-E84 HydrophobicContact CG-CB 3.97Å; Y73-E84 HydrophobicContact CG-CG 3.87Å; E84-G86 VanDerWaalsContact C-N 3.27Å; E84-G86 PolarHBondContact O-N 3.19Å; E84-G97 CarbonylContact O-C 3.48Å; E84-G97 WeakPolarHBondContact O-CA 3.35Å; E84-S98 WeakPolarHBondContact CG-OG 3.34Å; E84-S98 PolarHBondContact O-N 3.14Å; E84-S98 VanDerWaalsContact OE1-CB 3.3Å; E84-S98 WeakPolarHBondContact OE1-CB 3.43Å; E84-S98 PolarHBondContact OE1-OG 3.08Å; E84-K99 IonicContact OE1-NZ 2.72Å; E84-K99 PolarHBondContact OE1-NZ 3.12Å; E84-K99 VanDerWaalsContact OE1-NZ 3.14Å
85S81.1Confident88.7Confident100 Ų10061.7 Ų61.770%0.69932%0.321SS*.THydrogen-bonded Turntrans-74.8-8.4177.643.60000114.6A83A83-S85 WeakPolarHBondContact CB-OG 3.3Å; A83-S85 PolarHBondContact O-N 3.32Å
86G85.4Confident88.6Confident19 Ų1955.3 Ų55.320%0.19629%0.292CS..  trans114163.3-177.100000113.4A83 E84 Y95A83-G86 PolarHBondContact O-N 3.2Å; E84-G86 VanDerWaalsContact C-N 3.27Å; E84-G86 PolarHBondContact O-N 3.19Å; G86-Y95 CarbonylContact C-O 3.59Å; G86-Y95 WeakPolarHBondContact CA-O 3.44Å
87C85.9Confident88.2Confident21 Ų2153 Ų5314%0.14228%0.28CS..EExtended strand (participates in β ladder)trans-169.8157.5175.1620000110.8C81 Y95C81-C87 VanDerWaalsContact CA-SG 3.57Å; C87-Y95 PolarHBondContact N-O 3.23Å; C87-Y95 PolarHBondContact O-N 2.93Å
88E89.1Confident87.9Confident126 Ų12653.3 Ų53.359%0.58928%0.282SS*.EExtended strand (participates in β ladder)trans-75.8135.8162.2-167172.1160.700109.7C90 N91E88-C90 VanDerWaalsContact OE1-C 3.3Å; E88-N91 VanDerWaalsContact OE1-CA 3.29Å; E88-N91 WeakPolarHBondContact OE1-CA 3.43Å; E88-N91 PolarHBondContact OE1-N 2.94Å
89L88.4Confident87.7Confident20 Ų2051.2 Ų51.211%0.10527%0.271CS..EExtended strand (participates in β ladder)trans-98.4-39.7177.3-63.8179.9000111.5F46 I69 Y80 L93F46-L89 HydrophobicContact CE1-CD1 4.17Å; F46-L89 HydrophobicContact CZ-CD1 4.17Å; I69-L89 HydrophobicContact CD1-CD1 3.69Å; Y80-L89 VanDerWaalsContact O-CD2 3.22Å; Y80-L89 WeakPolarHBondContact O-CD2 3.25Å; L89-L93 HydrophobicContact CB-CD2 4.16Å; L89-L93 HydrophobicContact CB-CG 4.39Å; L89-L93 HydrophobicContact CD1-CD2 4.14Å; L89-L93 HydrophobicContact CD1-CG 4.39Å; L89-L93 PolarHBondContact N-O 3.01Å
90C89.6Confident87.2Confident25 Ų2545.3 Ų45.317%0.16925%0.249CC..EExtended strand (participates in β ladder)trans-165.9170168.663.60000108.4E88 N92 L93E88-C90 VanDerWaalsContact OE1-C 3.3Å; C90-N92 PolarHBondContact O-N 2.79Å; C90-L93 PolarHBondContact N-O 3.41Å; C90-L93 CarbonylContact O-C 3.59Å; C90-L93 WeakPolarHBondContact O-CA 3.42Å; C90-L93 PolarHBondContact O-N 2.91Å; C90-L93 VanDerWaalsContact O-O 3.09Å
91N85.9Confident86.9Confident124 Ų12444.8 Ų44.866%0.66325%0.25SS*.THydrogen-bonded Turntrans-45.3130.3176.1179.520.4000112.5E88 L93E88-N91 VanDerWaalsContact OE1-CA 3.29Å; E88-N91 WeakPolarHBondContact OE1-CA 3.43Å; E88-N91 PolarHBondContact OE1-N 2.94Å; N91-L93 PolarHBondContact O-N 3.18Å
92N89.5Confident86.6Confident57 Ų5747.3 Ų47.331%0.30526%0.26SS..THydrogen-bonded Turntrans62.413-173.1-72.2-34.7000116.1A63 T67 C90A63-N92 HydrophobicContact CB-CB 3.74Å; A63-N92 PolarHBondContact O-ND2 3.03Å; T67-N92 WeakPolarHBondContact CB-O 3.44Å; T67-N92 PolarHBondContact N-O 2.83Å; C90-N92 PolarHBondContact O-N 2.79Å
93L92.2Very high86.7Confident1 Ų141.2 Ų41.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-134.4105.9178.1-167.271.5000112F45 M56 T67 I69 L89 C90 N91F45-L93 HydrophobicContact CE1-CD1 4.39Å; F45-L93 HydrophobicContact CE1-CD2 4.34Å; F45-L93 HydrophobicContact CZ-CD1 3.88Å; F45-L93 HydrophobicContact CZ-CD2 4.49Å; M56-L93 HydrophobicContact CB-CD2 4.39Å; M56-L93 HydrophobicContact CE-CD1 4.24Å; M56-L93 HydrophobicContact CE-CD2 3.9Å; M56-L93 HydrophobicContact CE-CG 4.48Å; M56-L93 HydrophobicContact SD-CD2 3.86Å; T67-L93 HydrophobicContact CG2-CD1 3.82Å; T67-L93 WeakPolarHBondContact O-CA 3.34Å; I69-L93 HydrophobicContact CD1-CD1 3.86Å; I69-L93 HydrophobicContact CD1-CD2 4.4Å; I69-L93 HydrophobicContact CD1-CG 3.98Å; I69-L93 HydrophobicContact CG1-CD1 4.24Å; L89-L93 HydrophobicContact CB-CD2 4.16Å; L89-L93 HydrophobicContact CB-CG 4.39Å; L89-L93 HydrophobicContact CD1-CD2 4.14Å; L89-L93 HydrophobicContact CD1-CG 4.39Å; L89-L93 PolarHBondContact N-O 3.01Å; C90-L93 PolarHBondContact N-O 3.41Å; C90-L93 CarbonylContact O-C 3.59Å; C90-L93 WeakPolarHBondContact O-CA 3.42Å; C90-L93 PolarHBondContact O-N 2.91Å; C90-L93 VanDerWaalsContact O-O 3.09Å; N91-L93 PolarHBondContact O-N 3.18Å
94T92.5Very high86.4Confident38 Ų3840.1 Ų40.123%0.23322%0.224CC..EExtended strand (participates in β ladder)trans-121.2128.9-174.8-46.40000110.6T67 Y68 I69T67-T94 PolarHBondContact O-N 3.4Å; Y68-T94 CarbonylContact C-O 3.56Å; Y68-T94 WeakPolarHBondContact CA-O 3.07Å; Y68-T94 HydrophobicContact CD1-CG2 4.48Å; I69-T94 PolarHBondContact N-O 2.79Å
95Y93.6Very high85.6Confident1 Ų141 Ų410%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-79.7122.2164.4-178.6-126.7000109I69 S71 Y73 C81 G86 C87 G97I69-Y95 HydrophobicContact CB-CD2 4.15Å; I69-Y95 HydrophobicContact CG2-CD2 4.02Å; I69-Y95 WeakPolarHBondContact O-CD2 3.44Å; S71-Y95 VanDerWaalsContact O-CE2 3.3Å; S71-Y95 WeakPolarHBondContact O-CE2 3.11Å; S71-Y95 PolarHBondContact O-OH 3.39Å; Y73-Y95 AromaticContact CD2-CE1 3.81Å; Y73-Y95 HydrophobicContact CD2-CE1 3.81Å; Y73-Y95 HydrophobicContact CE2-CE1 4.29Å; C81-Y95 HydrophobicContact CB-CD1 3.73Å; C81-Y95 HydrophobicContact CB-CE1 4.06Å; C81-Y95 HydrophobicContact CB-CG 4.37Å; C81-Y95 WeakPolarHBondContact SG-CD1 3.45Å; G86-Y95 CarbonylContact C-O 3.59Å; G86-Y95 WeakPolarHBondContact CA-O 3.44Å; C87-Y95 PolarHBondContact N-O 3.23Å; C87-Y95 PolarHBondContact O-N 2.93Å; Y95-G97 VanDerWaalsContact C-N 3.33Å; Y95-G97 VanDerWaalsContact CE1-CA 3.48Å
96L88.6Confident85.1Confident14 Ų1437.7 Ų37.77%0.07321%0.206CC..  trans-80-15.7178.6-73.1-178.5000113.2F40 Y68 I69 V70 Y102 Y112F40-L96 HydrophobicContact CD1-CD1 4.16Å; F40-L96 HydrophobicContact CE1-CD1 4.01Å; Y68-L96 HydrophobicContact CD1-CD2 3.76Å; Y68-L96 HydrophobicContact CD1-CG 4.14Å; Y68-L96 HydrophobicContact CE1-CD2 4.47Å; Y68-L96 HydrophobicContact CG-CD1 4.39Å; Y68-L96 HydrophobicContact CG-CD2 4.4Å; Y68-L96 HydrophobicContact CG-CG 4.41Å; I69-L96 PolarHBondContact O-N 3.17Å; V70-L96 HydrophobicContact CG2-CD1 4.03Å; L96-Y102 HydrophobicContact CD2-CD2 4.01Å; L96-Y102 HydrophobicContact CD2-CG 4.31Å; L96-Y112 HydrophobicContact CB-CD2 4.35Å; L96-Y112 HydrophobicContact CB-CE1 4.23Å; L96-Y112 HydrophobicContact CB-CE2 3.89Å; L96-Y112 HydrophobicContact CD1-CD1 4.17Å; L96-Y112 HydrophobicContact CD1-CE1 4.19Å; L96-Y112 WeakPolarHBondContact O-CE2 3.05Å; L96-Y112 PolarHBondContact O-OH 3.22Å
97G84.4Confident84.6Confident0 Ų037.4 Ų37.40%020%0.204CC..  trans103.6179.5-174.900000114.2E84 Y95E84-G97 CarbonylContact O-C 3.48Å; E84-G97 WeakPolarHBondContact O-CA 3.35Å; Y95-G97 VanDerWaalsContact C-N 3.33Å; Y95-G97 VanDerWaalsContact CE1-CA 3.48Å
98S85.4Confident84.5Confident5 Ų536.4 Ų36.44%0.03520%0.197CC..SBendtrans-76.3-25.6-177.676.10000113.7E84 A114E84-S98 WeakPolarHBondContact CG-OG 3.34Å; E84-S98 PolarHBondContact O-N 3.14Å; E84-S98 VanDerWaalsContact OE1-CB 3.3Å; E84-S98 WeakPolarHBondContact OE1-CB 3.43Å; E84-S98 PolarHBondContact OE1-OG 3.08Å; S98-A114 PolarHBondContact O-N 3.04Å
99K87.5Confident84.4Confident60 Ų6033.2 Ų33.226%0.26118%0.18SC..EExtended strand (participates in β ladder)trans-164.7147.8-178.156.4-175.6162.3-690111.5E84 Y112 E115 P126 L129E84-K99 IonicContact OE1-NZ 2.72Å; E84-K99 PolarHBondContact OE1-NZ 3.12Å; E84-K99 VanDerWaalsContact OE1-NZ 3.14Å; K99-Y112 WeakPolarHBondContact CA-O 3.27Å; K99-E115 IonicContact NZ-OE1 2.78Å; K99-E115 PolarHBondContact NZ-OE1 2.95Å; K99-E115 IonicContact NZ-OE2 3.73Å; K99-P126 HydrophobicContact CD-CB 4.05Å; K99-P126 HydrophobicContact CD-CG 3.73Å; K99-L129 HydrophobicContact CB-CD1 4.23Å
100G82.1Confident84.5Confident12 Ų1232.2 Ų32.212%0.12418%0.175CC..EExtended strand (participates in β ladder)trans156.6-165.817300000113.8Y112G100-Y112 VanDerWaalsContact C-CE1 3.41Å; G100-Y112 PolarHBondContact N-O 2.62Å; G100-Y112 VanDerWaalsContact O-CD1 3.28Å; G100-Y112 WeakPolarHBondContact O-CD1 3.35Å; G100-Y112 WeakPolarHBondContact O-CE1 3.33Å; G100-Y112 PolarHBondContact O-N 3.37Å
101T84.3Confident84.5Confident30 Ų3031.3 Ų31.318%0.18417%0.168CC..EExtended strand (participates in β ladder)trans-125.2124.9176-66.40000110.2V110 V111 E132T101-V110 WeakPolarHBondContact CA-O 3.46Å; T101-V111 HydrophobicContact CG2-CG2 4.48Å; T101-E132 VanDerWaalsContact CB-OE2 3.26Å; T101-E132 WeakPolarHBondContact CB-OE2 3.32Å; T101-E132 PolarHBondContact OG1-OE2 2.94Å
102Y83Confident84.8Confident54 Ų5426.3 Ų26.321%0.21214%0.14CC..EExtended strand (participates in β ladder)trans-106.9126.8173.2173.6-101.3000109.1F40 Y68 L96 T104 V110F40-Y102 HydrophobicContact CE1-CD1 4.2Å; F40-Y102 HydrophobicContact CZ-CD1 4.16Å; F40-Y102 HydrophobicContact CZ-CE1 4.2Å; Y68-Y102 HydrophobicContact CE1-CE2 4.35Å; Y68-Y102 HydrophobicContact CE2-CE1 4.43Å; Y68-Y102 AromaticContact CZ-CZ 3.9Å; Y68-Y102 PolarHBondContact OH-OH 3.05Å; Y68-Y102 VanDerWaalsContact OH-OH 3.05Å; L96-Y102 HydrophobicContact CD2-CD2 4.01Å; L96-Y102 HydrophobicContact CD2-CG 4.31Å; Y102-T104 HydrophobicContact CE1-CG2 3.7Å; Y102-V110 HydrophobicContact CD1-CB 4.32Å; Y102-V110 HydrophobicContact CD1-CG2 4.34Å; Y102-V110 PolarHBondContact N-O 3.14Å; Y102-V110 PolarHBondContact O-N 3.35Å
103T82.2Confident84.9Confident46 Ų4624 Ų2428%0.28213%0.128SC..EExtended strand (participates in β ladder)trans-122.3123.7177.1-57.40000109.5L108 R109T103-L108 WeakPolarHBondContact CA-O 3.35Å; T103-R109 HydrophobicContact CG2-CG 3.92Å
104T78Confident84.8Confident10 Ų1024 Ų246%0.06113%0.127CC..  trans-71.4156.8176.564.80000110.8M38 Y102 S106 G107 L108M38-T104 HydrophobicContact CE-CG2 3.89Å; M38-T104 HydrophobicContact SD-CG2 4.22Å; Y102-T104 HydrophobicContact CE1-CG2 3.7Å; T104-S106 WeakPolarHBondContact CB-OG 3.35Å; T104-S106 PolarHBondContact O-N 2.96Å; T104-S106 PolarHBondContact OG1-N 3.16Å; T104-S106 PolarHBondContact OG1-OG 3.25Å; T104-G107 PolarHBondContact O-N 3.41Å; T104-G107 PolarHBondContact OG1-N 3.38Å; T104-L108 HydrophobicContact CG2-CB 3.96Å; T104-L108 HydrophobicContact CG2-CD2 4.14Å; T104-L108 PolarHBondContact N-O 2.71Å; T104-L108 VanDerWaalsContact N-O 3.08Å; T104-L108 VanDerWaalsContact OG1-CB 3.31Å; T104-L108 WeakPolarHBondContact OG1-CB 3.2Å; T104-L108 PolarHBondContact OG1-N 2.61Å
105M69Low84.2Confident98 Ų9825.1 Ų25.148%0.48313%0.13SC..THydrogen-bonded Turntrans-51.5-28.6170.4-63.7-174.782.800112.7L352 G353 I365M105-L352 HydrophobicContact CE-CB 4.31Å; M105-L352 HydrophobicContact CE-CD1 4.25Å; M105-L352 CarbonylContact O-C 3.51Å; M105-L352 VanDerWaalsContact O-C 3.31Å; M105-G353 WeakPolarHBondContact O-CA 3.5Å; M105-G353 PolarHBondContact O-N 3.21Å; M105-I365 HydrophobicContact CE-CD1 4.38Å
106S70.9Confident83.2Confident30 Ų3031.2 Ų31.221%0.2115%0.153CC..THydrogen-bonded Turntrans-82.3-5178.7510000115.2H7 T104 K246H7-S106 PolarHBondContact CE1-OG 3.29Å; H7-S106 WeakPolarHBondContact NE2-CB 3.44Å; H7-S106 PolarHBondContact NE2-OG 3.21Å; T104-S106 WeakPolarHBondContact CB-OG 3.35Å; T104-S106 PolarHBondContact O-N 2.96Å; T104-S106 PolarHBondContact OG1-N 3.16Å; T104-S106 PolarHBondContact OG1-OG 3.25Å; S106-K246 WeakPolarHBondContact O-CE 3.35Å; S106-K246 PolarHBondContact O-NZ 3.43Å
107G75.1Confident82.1Confident14 Ų1432.5 Ų32.514%0.14416%0.159CC..  trans95.93.4176.100000116.1T104 R109T104-G107 PolarHBondContact O-N 3.41Å; T104-G107 PolarHBondContact OG1-N 3.38Å; G107-R109 PolarHBondContact O-N 2.86Å
108L83Confident80.7Confident0 Ų039.8 Ų39.80%020%0.197CC..  trans-66.2121.1173.2-17789.1000109I9 M38 T103 T104 V110 D145 L241 P243I9-L108 HydrophobicContact CD1-CD1 4.14Å; I9-L108 HydrophobicContact CD1-CD2 3.43Å; I9-L108 VanDerWaalsContact CD1-CD2 3.43Å; I9-L108 HydrophobicContact CD1-CG 4.44Å; M38-L108 HydrophobicContact SD-CD2 4.41Å; T103-L108 WeakPolarHBondContact CA-O 3.35Å; T104-L108 HydrophobicContact CG2-CB 3.96Å; T104-L108 HydrophobicContact CG2-CD2 4.14Å; T104-L108 PolarHBondContact N-O 2.71Å; T104-L108 VanDerWaalsContact N-O 3.08Å; T104-L108 VanDerWaalsContact OG1-CB 3.31Å; T104-L108 WeakPolarHBondContact OG1-CB 3.2Å; T104-L108 PolarHBondContact OG1-N 2.61Å; L108-V110 HydrophobicContact CD2-CG2 3.8Å; L108-V110 HydrophobicContact CG-CG2 4.19Å; L108-D145 HydrophobicContact CD1-CB 3.69Å; L108-D145 HydrophobicContact CG-CB 4.25Å; L108-L241 HydrophobicContact CD1-CB 4.35Å; L108-L241 HydrophobicContact CD1-CD1 4.28Å; L108-P243 HydrophobicContact CB-CG 4.21Å
109R86.1Confident79.2Confident58 Ų5845.7 Ų45.722%0.21923%0.228CC..EExtended strand (participates in β ladder)trans-104122.2-178.7-70.3-177.4-67168.44.6112.2T103 G107 G143 V144 D145 L146T103-R109 HydrophobicContact CG2-CG 3.92Å; G107-R109 PolarHBondContact O-N 2.86Å; R109-G143 PolarHBondContact NH2-O 3.17Å; R109-V144 HydrophobicContact CB-CB 4.28Å; R109-V144 HydrophobicContact CB-CG1 4.33Å; R109-D145 PolarHBondContact N-OD2 2.84Å; R109-D145 WeakPolarHBondContact O-CB 3.47Å; R109-D145 PolarHBondContact O-N 2.91Å; R109-L146 PolarHBondContact O-N 2.85Å; R109-L146 VanDerWaalsContact O-N 3.14Å
110V90.9Very high77.4Confident0 Ų046.4 Ų46.40%024%0.241CC..EExtended strand (participates in β ladder)trans-124108-174.5-177.20000109.3F40 T101 Y102 L108 L146 L148F40-V110 HydrophobicContact CD1-CG1 4.45Å; F40-V110 HydrophobicContact CE1-CG1 3.98Å; F40-V110 HydrophobicContact CE1-CG2 4.48Å; F40-V110 HydrophobicContact CZ-CG1 4.24Å; F40-V110 HydrophobicContact CZ-CG2 3.96Å; T101-V110 WeakPolarHBondContact CA-O 3.46Å; Y102-V110 HydrophobicContact CD1-CB 4.32Å; Y102-V110 HydrophobicContact CD1-CG2 4.34Å; Y102-V110 PolarHBondContact N-O 3.14Å; Y102-V110 PolarHBondContact O-N 3.35Å; L108-V110 HydrophobicContact CD2-CG2 3.8Å; L108-V110 HydrophobicContact CG-CG2 4.19Å; V110-L146 WeakPolarHBondContact CA-O 2.97Å; V110-L146 HydrophobicContact CB-CB 4.36Å; V110-L146 HydrophobicContact CG1-CB 4.03Å; V110-L146 HydrophobicContact CG1-CD1 4.42Å; V110-L146 HydrophobicContact CG2-CB 4.12Å; V110-L146 HydrophobicContact CG2-CD1 3.95Å; V110-L146 HydrophobicContact CG2-CG 4.29Å; V110-L148 HydrophobicContact CG1-CD1 3.4Å; V110-L148 HydrophobicContact CG1-CG 3.88Å
111V91.1Very high75.6Confident5 Ų552.5 Ų52.53%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-91138.3171.5-178.60000108.3T101 L129 V144 L146 L147 L148 L182 T186T101-V111 HydrophobicContact CG2-CG2 4.48Å; V111-L129 HydrophobicContact CG1-CD2 4.13Å; V111-V144 HydrophobicContact CG2-CB 4.31Å; V111-V144 HydrophobicContact CG2-CG1 3.84Å; V111-V144 HydrophobicContact CG2-CG2 4.05Å; V111-L146 PolarHBondContact N-O 3.04Å; V111-L147 HydrophobicContact CB-CD1 3.95Å; V111-L147 HydrophobicContact CG1-CD1 3.82Å; V111-L147 CarbonylContact O-C 3.44Å; V111-L147 WeakPolarHBondContact O-CA 3.45Å; V111-L148 PolarHBondContact O-N 2.8Å; V111-L182 HydrophobicContact CG1-CD1 4.32Å; V111-T186 HydrophobicContact CG1-CG2 4.37Å; V111-T186 HydrophobicContact CG2-CG2 4.3Å
112Y92.4Very high74Confident20 Ų2057.2 Ų57.28%0.07830%0.295CS..EExtended strand (participates in β ladder)trans-136.7146.1179.758.6-86.5000112.8V70 L96 K99 G100 L148V70-Y112 HydrophobicContact CG1-CD2 4.41Å; V70-Y112 HydrophobicContact CG2-CD2 4.35Å; V70-Y112 HydrophobicContact CG2-CG 4.13Å; L96-Y112 HydrophobicContact CB-CD2 4.35Å; L96-Y112 HydrophobicContact CB-CE1 4.23Å; L96-Y112 HydrophobicContact CB-CE2 3.89Å; L96-Y112 HydrophobicContact CD1-CD1 4.17Å; L96-Y112 HydrophobicContact CD1-CE1 4.19Å; L96-Y112 WeakPolarHBondContact O-CE2 3.05Å; L96-Y112 PolarHBondContact O-OH 3.22Å; K99-Y112 WeakPolarHBondContact CA-O 3.27Å; G100-Y112 VanDerWaalsContact C-CE1 3.41Å; G100-Y112 PolarHBondContact N-O 2.62Å; G100-Y112 VanDerWaalsContact O-CD1 3.28Å; G100-Y112 WeakPolarHBondContact O-CD1 3.35Å; G100-Y112 WeakPolarHBondContact O-CE1 3.33Å; G100-Y112 PolarHBondContact O-N 3.37Å; Y112-L148 CarbonylContact C-O 3.54Å; Y112-L148 VanDerWaalsContact CA-O 3.26Å; Y112-L148 WeakPolarHBondContact CA-O 3.45Å
113M91.4Very high72.5Confident8 Ų856 Ų564%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-149.4103.9175.9-170.8173.9-178.200110.3E115 P126 L129 L148 T149 C150 I179 L182M113-E115 HydrophobicContact CE-CB 4.16Å; M113-E115 WeakPolarHBondContact CE-OE2 3.36Å; M113-E115 HydrophobicContact CG-CB 4.48Å; M113-P126 HydrophobicContact CE-CG 4.48Å; M113-L129 HydrophobicContact SD-CD1 4.38Å; M113-L148 PolarHBondContact N-O 3.25Å; M113-T149 HydrophobicContact CB-CG2 4.37Å; M113-T149 VanDerWaalsContact O-CA 3.28Å; M113-T149 WeakPolarHBondContact O-CA 3.47Å; M113-C150 PolarHBondContact O-N 3.42Å; M113-I179 HydrophobicContact CB-CD1 4.19Å; M113-I179 HydrophobicContact CG-CD1 4.07Å; M113-I179 HydrophobicContact SD-CD1 3.57Å; M113-I179 VanDerWaalsContact SD-CD1 3.57Å; M113-L182 HydrophobicContact CB-CD2 3.97Å; M113-L182 HydrophobicContact SD-CD2 3.93Å
114A90.3Very high71.2Confident0 Ų059.7 Ų59.70%031%0.312CS..  trans-93.9-11.7-179.300000114V70 S71 P72 S98 C150V70-A114 HydrophobicContact CG1-CB 3.91Å; S71-A114 VanDerWaalsContact C-CB 3.46Å; P72-A114 WeakPolarHBondContact CG-O 3.12Å; S98-A114 PolarHBondContact O-N 3.04Å; A114-C150 WeakPolarHBondContact CA-SG 3.4Å
115E79.3Confident70.2Confident63 Ų6359.9 Ų59.929%0.29431%0.312SS..  trans-57.7152.1175-63.7-177.5133.900112.6K99 M113K99-E115 IonicContact NZ-OE1 2.78Å; K99-E115 PolarHBondContact NZ-OE1 2.95Å; K99-E115 IonicContact NZ-OE2 3.73Å; M113-E115 HydrophobicContact CE-CB 4.16Å; M113-E115 WeakPolarHBondContact CE-OE2 3.36Å; M113-E115 HydrophobicContact CG-CB 4.48Å
116W72.4Confident69.7Low129 Ų12956.6 Ų56.649%0.48930%0.298SS..  trans-111123.3175.5-76.136.1000109.5L118 Q151W116-L118 PolarHBondContact O-N 3.05Å; W116-Q151 HydrophobicContact CB-CG 4.45Å; W116-Q151 HydrophobicContact CD2-CG 4.27Å; W116-Q151 HydrophobicContact CG-CG 4.03Å
117E65.6Low68.9Low40 Ų4060 Ų6019%0.18732%0.322CS..  trans-69.796.3175-170.9178.3176.900109.3S176 I177 L178E117-S176 WeakPolarHBondContact OE2-CA 3.28Å; E117-S176 WeakPolarHBondContact OE2-CB 3.42Å; E117-S176 PolarHBondContact OE2-OG 3.45Å; E117-I177 PolarHBondContact OE2-N 3.22Å; E117-I177 VanDerWaalsContact OE2-N 3.14Å; E117-L178 HydrophobicContact CB-CD1 4.34Å; E117-L178 HydrophobicContact CG-CD1 3.92Å; E117-L178 HydrophobicContact CG-CG 4.49Å; E117-L178 PolarHBondContact OE2-N 2.97Å
118L55.7Low68Low153 Ų15361.6 Ų61.680%0.80133%0.331SS*.  trans-78.3-25.4-179.9-77.1167000113.6W116W116-L118 PolarHBondContact O-N 3.05Å
119N52.1Low66.9Low129 Ų12961.8 Ų61.869%0.6933%0.332SS*.  trans-139127.5-178.6-70-54.4000109.9D121N119-D121 PolarHBondContact O-N 3.49Å; N119-D121 VanDerWaalsContact O-N 3.16Å
120S50.1Low65.5Low76 Ų7661.7 Ų61.753%0.53134%0.336SS..THydrogen-bonded Turntrans-63.5-18.8-17646.30000115.7C123S120-C123 PolarHBondContact O-SG 2.89Å
121D46Very low63.7Low140 Ų14063.9 Ų63.975%0.74935%0.351SS*.THydrogen-bonded Turntrans-84.4-23.5-160.5-62.13000111.7N119 C123N119-D121 PolarHBondContact O-N 3.49Å; N119-D121 VanDerWaalsContact O-N 3.16Å; D121-C123 PolarHBondContact O-N 3.07Å; D121-C123 VanDerWaalsContact O-N 3.08Å
122N50Low62Low128 Ų12865 Ų6568%0.68436%0.356SS*.  trans-85.359.7171-90.1-18000111.7N124N122-N124 PolarHBondContact O-N 3.2Å
123C51Low60.1Low29 Ų2964.2 Ų64.220%0.19635%0.353CS..  trans-62.616.8175.9-85.80000116S120 D121 L178 R181S120-C123 PolarHBondContact O-SG 2.89Å; D121-C123 PolarHBondContact O-N 3.07Å; D121-C123 VanDerWaalsContact O-N 3.08Å; C123-L178 VanDerWaalsContact C-CD2 3.4Å; C123-R181 PolarHBondContact O-NH1 3.27Å
124N54.7Low58.2Low124 Ų12467.7 Ų67.766%0.66337%0.372SS*.PPolyproline II helixtrans-96.7125.3179.9-65.4-17.6000109.9N122 L178N122-N124 PolarHBondContact O-N 3.2Å; N124-L178 WeakPolarHBondContact O-CD2 3.4Å
125L58Low56.2Low14 Ų1470 Ų707%0.07339%0.39CS..PPolyproline II helixtrans-62.1151.5166.8-8976000109.9S127 L130 L178 R181 L182 L185L125-S127 PolarHBondContact O-N 2.8Å; L125-L130 HydrophobicContact CB-CB 3.9Å; L125-L130 HydrophobicContact CB-CD1 4.4Å; L125-L130 HydrophobicContact CD2-CD1 4.47Å; L125-L178 HydrophobicContact CD1-CD2 4.14Å; L125-R181 HydrophobicContact CD1-CB 3.67Å; L125-L182 HydrophobicContact CD2-CB 4.14Å; L125-L182 HydrophobicContact CD2-CD1 3.77Å; L125-L185 HydrophobicContact CD2-CD1 4.43Å
126P58.7Low54.8Low28 Ų2867.9 Ų67.918%0.18238%0.384CS..PPolyproline II helixtrans-49.3135.3165.9-26.435.2000110.9K99 M113 S128 L129 L130K99-P126 HydrophobicContact CD-CB 4.05Å; K99-P126 HydrophobicContact CD-CG 3.73Å; M113-P126 HydrophobicContact CE-CG 4.48Å; P126-S128 PolarHBondContact O-N 3.2Å; P126-S128 VanDerWaalsContact O-N 3.13Å; P126-L129 HydrophobicContact CG-CD1 4.38Å; P126-L129 PolarHBondContact O-N 2.96Å; P126-L130 PolarHBondContact O-N 3.23Å
127S52.4Low53.7Low101 Ų10165.5 Ų65.571%0.70638%0.378SS*.Hα-helixtrans-60-30.2-171.6-166.60000113.2L125 S131L125-S127 PolarHBondContact O-N 2.8Å; S127-S131 WeakPolarHBondContact O-CB 3.35Å; S127-S131 PolarHBondContact O-N 2.98Å; S127-S131 PolarHBondContact O-OG 2.67Å; S127-S131 VanDerWaalsContact O-OG 3.06Å
128S57.4Low52.7Low49 Ų4970.7 Ų70.734%0.34341%0.407SS..Hα-helixtrans-59.2-68.3170.746.90000110.7P126 L130 S131 E132P126-S128 PolarHBondContact O-N 3.2Å; P126-S128 VanDerWaalsContact O-N 3.13Å; S128-L130 PolarHBondContact O-N 3.22Å; S128-L130 VanDerWaalsContact O-N 3.12Å; S128-S131 CarbonylContact O-C 3.57Å; S128-S131 WeakPolarHBondContact O-CA 3.27Å; S128-S131 PolarHBondContact O-N 3.4Å; S128-S131 PolarHBondContact O-OG 3.48Å; S128-E132 WeakPolarHBondContact CB-OE1 3.5Å; S128-E132 WeakPolarHBondContact O-CG 3.49Å; S128-E132 PolarHBondContact O-N 2.98Å
129L59.9Low52.4Low3 Ų367.5 Ų67.52%0.01639%0.391CS..Hα-helixtrans-55.1-35.1-179.2-67.5-177.5000113.6K99 V111 M113 P126 E132 A133 L182K99-L129 HydrophobicContact CB-CD1 4.23Å; V111-L129 HydrophobicContact CG1-CD2 4.13Å; M113-L129 HydrophobicContact SD-CD1 4.38Å; P126-L129 HydrophobicContact CG-CD1 4.38Å; P126-L129 PolarHBondContact O-N 2.96Å; L129-E132 PolarHBondContact N-OE1 3.49Å; L129-A133 WeakPolarHBondContact O-CB 3.26Å; L129-A133 PolarHBondContact O-N 2.84Å; L129-L182 HydrophobicContact CB-CD1 4.42Å; L129-L182 HydrophobicContact CD1-CD1 4.37Å
130L56.4Low52.8Low57 Ų5763 Ų6330%0.29838%0.375SS..Hα-helixtrans-69.7-43.9175-172.258.5000111.7L125 P126 S128 A133 L134 L185L125-L130 HydrophobicContact CB-CB 3.9Å; L125-L130 HydrophobicContact CB-CD1 4.4Å; L125-L130 HydrophobicContact CD2-CD1 4.47Å; P126-L130 PolarHBondContact O-N 3.23Å; S128-L130 PolarHBondContact O-N 3.22Å; S128-L130 VanDerWaalsContact O-N 3.12Å; L130-A133 PolarHBondContact O-N 2.98Å; L130-L134 HydrophobicContact CD1-CD1 3.84Å; L130-L134 HydrophobicContact CD1-CG 4.09Å; L130-L134 HydrophobicContact CG-CD1 3.84Å; L130-L134 HydrophobicContact CG-CG 4.43Å; L130-L134 WeakPolarHBondContact O-CB 3.5Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.28Å; L130-L134 PolarHBondContact O-N 3.48Å; L130-L185 HydrophobicContact CD1-CD1 3.8Å
131S52.6Low53.8Low45 Ų4561 Ų6132%0.31536%0.357SS..Hα-helixtrans-66.1-37.5175.271.90000112.4S127 S128 A135S127-S131 WeakPolarHBondContact O-CB 3.35Å; S127-S131 PolarHBondContact O-N 2.98Å; S127-S131 PolarHBondContact O-OG 2.67Å; S127-S131 VanDerWaalsContact O-OG 3.06Å; S128-S131 CarbonylContact O-C 3.57Å; S128-S131 WeakPolarHBondContact O-CA 3.27Å; S128-S131 PolarHBondContact O-N 3.4Å; S128-S131 PolarHBondContact O-OG 3.48Å; S131-A135 WeakPolarHBondContact O-CB 3.34Å; S131-A135 PolarHBondContact O-N 2.87Å
132E55.2Low55.4Low30 Ų3057.5 Ų57.514%0.1434%0.337CS..Hα-helixtrans-60.9-46.8174.9-73166.3-117.300111.1T101 S128 L129 A136 Y400T101-E132 VanDerWaalsContact CB-OE2 3.26Å; T101-E132 WeakPolarHBondContact CB-OE2 3.32Å; T101-E132 PolarHBondContact OG1-OE2 2.94Å; S128-E132 WeakPolarHBondContact CB-OE1 3.5Å; S128-E132 WeakPolarHBondContact O-CG 3.49Å; S128-E132 PolarHBondContact O-N 2.98Å; L129-E132 PolarHBondContact N-OE1 3.49Å; E132-A136 VanDerWaalsContact O-CB 3.26Å; E132-A136 WeakPolarHBondContact O-CB 3.39Å; E132-Y400 HydrophobicContact CG-CD1 4.49Å; E132-Y400 HydrophobicContact CG-CE1 3.44Å; E132-Y400 VanDerWaalsContact CG-CE1 3.44Å
133A53.1Low57Low3 Ų351.4 Ų51.43%0.02531%0.305CS..Hα-helixtrans-72.1-39.8179.900000112.7L129 L130 L185 T186L129-A133 WeakPolarHBondContact O-CB 3.26Å; L129-A133 PolarHBondContact O-N 2.84Å; L130-A133 PolarHBondContact O-N 2.98Å; A133-L185 HydrophobicContact CB-CB 3.78Å; A133-T186 HydrophobicContact CB-CG2 4.19Å
134L52.4Low58.8Low81 Ų8150.3 Ų50.342%0.42430%0.297SS..Hα-helixtrans-76-46.8-178.6-68.7176.2000113.3L130 A136 E137 L185L130-L134 HydrophobicContact CD1-CD1 3.84Å; L130-L134 HydrophobicContact CD1-CG 4.09Å; L130-L134 HydrophobicContact CG-CD1 3.84Å; L130-L134 HydrophobicContact CG-CG 4.43Å; L130-L134 WeakPolarHBondContact O-CB 3.5Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.28Å; L130-L134 PolarHBondContact O-N 3.48Å; L134-A136 PolarHBondContact O-N 3.2Å; L134-A136 VanDerWaalsContact O-N 3.13Å; L134-E137 PolarHBondContact O-N 3.13Å; L134-L185 HydrophobicContact CD2-CD2 4.28Å
135A47.9Very low60.7Low47 Ų4744.4 Ų44.439%0.38827%0.266SS..Hα-helixtrans-65.4-17.7179.700000112.7S131 N139S131-A135 WeakPolarHBondContact O-CB 3.34Å; S131-A135 PolarHBondContact O-N 2.87Å; A135-N139 PolarHBondContact O-ND2 3.46Å
136A50Low62.5Low20 Ų2043.7 Ų43.717%0.16526%0.262CS..Hα-helixtrans-74.8-40.2172.200000111.8E132 L134 D138 N139 G140 F141E132-A136 VanDerWaalsContact O-CB 3.26Å; E132-A136 WeakPolarHBondContact O-CB 3.39Å; L134-A136 PolarHBondContact O-N 3.2Å; L134-A136 VanDerWaalsContact O-N 3.13Å; A136-D138 VanDerWaalsContact C-N 3.34Å; A136-D138 PolarHBondContact O-N 2.91Å; A136-N139 PolarHBondContact O-N 2.83Å; A136-N139 VanDerWaalsContact O-N 3.1Å; A136-G140 PolarHBondContact O-N 2.94Å; A136-F141 HydrophobicContact CB-CB 3.51Å; A136-F141 HydrophobicContact CB-CD1 3.89Å; A136-F141 HydrophobicContact CB-CD2 3.59Å; A136-F141 HydrophobicContact CB-CE1 4.37Å; A136-F141 HydrophobicContact CB-CE2 4.1Å; A136-F141 HydrophobicContact CB-CG 3.45Å; A136-F141 VanDerWaalsContact CB-CG 3.45Å; A136-F141 HydrophobicContact CB-CZ 4.45Å; A136-F141 WeakPolarHBondContact O-CB 3.3Å; A136-F141 PolarHBondContact O-N 2.98Å; A136-F141 VanDerWaalsContact O-N 3.14Å
137E48Very low64.3Low78 Ų7842.4 Ų42.436%0.36425%0.253SS..Hα-helixtrans-56.8-44.9-178.9-62.4-154.8135.800112.2L134 N139 G140 R187L134-E137 PolarHBondContact O-N 3.13Å; E137-N139 PolarHBondContact O-N 2.55Å; E137-N139 VanDerWaalsContact O-N 3.16Å; E137-G140 PolarHBondContact O-N 2.81Å; E137-R187 IonicContact OE1-CZ 2.88Å; E137-R187 IonicContact OE1-NE 2.93Å; E137-R187 IonicContact OE1-NH2 2.65Å; E137-R187 PolarHBondContact OE1-NH2 2.74Å
138D46.1Very low66.4Low150 Ų15037.6 Ų37.680%0.80222%0.22SC*.THydrogen-bonded Turntrans-58.8-27.1178.8-84.3-26.4000113.9A136A136-D138 VanDerWaalsContact C-N 3.34Å; A136-D138 PolarHBondContact O-N 2.91Å
139N48.5Very low68.2Low86 Ų8635.2 Ų35.246%0.4620%0.203SC..THydrogen-bonded Turntrans-97.9-0.1-175.6-69.9-70.1000113.6A135 A136 E137 R343A135-N139 PolarHBondContact O-ND2 3.46Å; A136-N139 PolarHBondContact O-N 2.83Å; A136-N139 VanDerWaalsContact O-N 3.1Å; E137-N139 PolarHBondContact O-N 2.55Å; E137-N139 VanDerWaalsContact O-N 3.16Å; N139-R343 PolarHBondContact O-NH2 3.11Å
140G60.6Low69.8Low33 Ų3335.1 Ų35.134%0.3420%0.203SC..THydrogen-bonded Turntrans86.237-178.300000114.1A136 E137 L142A136-G140 PolarHBondContact O-N 2.94Å; E137-G140 PolarHBondContact O-N 2.81Å; G140-L142 PolarHBondContact O-N 3.02Å
141F72.2Confident71.5Confident36 Ų3633.3 Ų33.316%0.15819%0.193CC..  trans-51.9126.2171.7170.2-118.3000113.6A136 G143 V144 T186A136-F141 HydrophobicContact CB-CB 3.51Å; A136-F141 HydrophobicContact CB-CD1 3.89Å; A136-F141 HydrophobicContact CB-CD2 3.59Å; A136-F141 HydrophobicContact CB-CE1 4.37Å; A136-F141 HydrophobicContact CB-CE2 4.1Å; A136-F141 HydrophobicContact CB-CG 3.45Å; A136-F141 VanDerWaalsContact CB-CG 3.45Å; A136-F141 HydrophobicContact CB-CZ 4.45Å; A136-F141 WeakPolarHBondContact O-CB 3.3Å; A136-F141 PolarHBondContact O-N 2.98Å; A136-F141 VanDerWaalsContact O-N 3.14Å; F141-G143 VanDerWaalsContact C-N 3.32Å; F141-G143 VanDerWaalsContact CE2-C 3.43Å; F141-G143 WeakPolarHBondContact CE2-O 3.42Å; F141-G143 VanDerWaalsContact CZ-CA 3.43Å; F141-V144 HydrophobicContact CE2-CG1 3.8Å; F141-V144 HydrophobicContact CZ-CG1 3.82Å; F141-T186 WeakPolarHBondContact CZ-O 3.34Å
142L79.1Confident73.5Confident65 Ų6531.2 Ų31.234%0.3418%0.178SC..  trans-79.2-10.7176.1-59.9176.9000113.6G140 H217 I244 L252G140-L142 PolarHBondContact O-N 3.02Å; L142-H217 PolarHBondContact O-CE1 2.66Å; L142-H217 PolarHBondContact O-ND1 3.14Å; L142-I244 HydrophobicContact CB-CD1 3.85Å; L142-I244 HydrophobicContact CB-CG1 3.96Å; L142-I244 HydrophobicContact CD1-CG1 4.49Å; L142-I244 VanDerWaalsContact O-CD1 3.23Å; L142-I244 WeakPolarHBondContact O-CD1 3.29Å; L142-L252 HydrophobicContact CD1-CD2 4.45Å
143G83.3Confident75.3Confident0 Ų029.8 Ų29.80%017%0.171CC..  trans103.2-175.3-162.800000113R109 F141 T186 R187R109-G143 PolarHBondContact NH2-O 3.17Å; F141-G143 VanDerWaalsContact C-N 3.32Å; F141-G143 VanDerWaalsContact CE2-C 3.43Å; F141-G143 WeakPolarHBondContact CE2-O 3.42Å; F141-G143 VanDerWaalsContact CZ-CA 3.43Å; G143-T186 VanDerWaalsContact CA-O 3.32Å; G143-T186 WeakPolarHBondContact CA-O 3.32Å; G143-R187 WeakPolarHBondContact CA-O 3.14Å
144V89.5Confident77.1Confident6 Ų633.5 Ų33.54%0.03619%0.187CC..  trans-113.2165.9176.6-570000112.7R109 V111 F141 T186 P188 R189R109-V144 HydrophobicContact CB-CB 4.28Å; R109-V144 HydrophobicContact CB-CG1 4.33Å; V111-V144 HydrophobicContact CG2-CB 4.31Å; V111-V144 HydrophobicContact CG2-CG1 3.84Å; V111-V144 HydrophobicContact CG2-CG2 4.05Å; F141-V144 HydrophobicContact CE2-CG1 3.8Å; F141-V144 HydrophobicContact CZ-CG1 3.82Å; V144-T186 PolarHBondContact N-O 3.06Å; V144-T186 VanDerWaalsContact N-O 3.16Å; V144-P188 HydrophobicContact CG2-CB 3.73Å; V144-P188 CarbonylContact O-C 3.35Å; V144-P188 WeakPolarHBondContact O-CA 3.26Å; V144-R189 PolarHBondContact O-N 2.96Å
145D93.6Very high78.9Confident0 Ų032.2 Ų32.20%018%0.179CC..SBendtrans-78.8-50.7179.5-69.8-66.5000111.9L108 R109 R189 Y190 I244L108-D145 HydrophobicContact CD1-CB 3.69Å; L108-D145 HydrophobicContact CG-CB 4.25Å; R109-D145 PolarHBondContact N-OD2 2.84Å; R109-D145 WeakPolarHBondContact O-CB 3.47Å; R109-D145 PolarHBondContact O-N 2.91Å; D145-R189 PolarHBondContact O-N 2.85Å; D145-R189 IonicContact OD1-CZ 3.61Å; D145-R189 IonicContact OD1-NH1 3.61Å; D145-R189 PolarHBondContact OD1-NH1 2.83Å; D145-Y190 PolarHBondContact O-N 2.89Å; D145-I244 WeakPolarHBondContact OD1-CB 3.42Å; D145-I244 PolarHBondContact OD1-N 3.4Å; D145-I244 PolarHBondContact OD2-N 2.71Å
146L96.1Very high81.1Confident0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-123.7135.7-179.6-58.7-177.6000110.5I9 I11 F40 R109 V110 V111 L148 Y190 F192 L239 L241I9-L146 HydrophobicContact CD1-CD1 4.4Å; I11-L146 HydrophobicContact CD1-CD1 4.01Å; F40-L146 HydrophobicContact CD2-CD1 4.34Å; F40-L146 HydrophobicContact CE2-CD1 4.18Å; R109-L146 PolarHBondContact O-N 2.85Å; R109-L146 VanDerWaalsContact O-N 3.14Å; V110-L146 WeakPolarHBondContact CA-O 2.97Å; V110-L146 HydrophobicContact CB-CB 4.36Å; V110-L146 HydrophobicContact CG1-CB 4.03Å; V110-L146 HydrophobicContact CG1-CD1 4.42Å; V110-L146 HydrophobicContact CG2-CB 4.12Å; V110-L146 HydrophobicContact CG2-CD1 3.95Å; V110-L146 HydrophobicContact CG2-CG 4.29Å; V111-L146 PolarHBondContact N-O 3.04Å; L146-L148 HydrophobicContact CB-CD2 4.17Å; L146-L148 HydrophobicContact CB-CG 4.37Å; L146-L148 HydrophobicContact CD1-CD2 4.49Å; L146-Y190 CarbonylContact C-O 3.58Å; L146-Y190 WeakPolarHBondContact CA-O 3.4Å; L146-Y190 HydrophobicContact CD2-CG 4.47Å; L146-F192 HydrophobicContact CD2-CD2 4.31Å; L146-F192 HydrophobicContact CD2-CE2 4.18Å; L146-L239 HydrophobicContact CD2-CD1 4.22Å; L146-L241 HydrophobicContact CD2-CD1 3.76Å; L146-L241 HydrophobicContact CG-CD1 4.32Å
147L96.1Very high83.1Confident0 Ų031.3 Ų31.30%017%0.165CC..EExtended strand (participates in β ladder)trans-113.7128157.617459.8000108.2V111 T149 L182 A183 P188 Y190 H191 F192V111-L147 HydrophobicContact CB-CD1 3.95Å; V111-L147 HydrophobicContact CG1-CD1 3.82Å; V111-L147 CarbonylContact O-C 3.44Å; V111-L147 WeakPolarHBondContact O-CA 3.45Å; L147-T149 HydrophobicContact CD1-CG2 3.78Å; L147-T149 HydrophobicContact CD2-CG2 4.4Å; L147-T149 HydrophobicContact CG-CG2 3.87Å; L147-L182 HydrophobicContact CD1-CD2 3.72Å; L147-L182 HydrophobicContact CD1-CG 3.99Å; L147-L182 HydrophobicContact CD2-CG 4.28Å; L147-A183 HydrophobicContact CD2-CB 3.79Å; L147-P188 HydrophobicContact CB-CB 3.58Å; L147-P188 HydrophobicContact CB-CG 3.72Å; L147-P188 HydrophobicContact CD2-CG 4.02Å; L147-Y190 PolarHBondContact N-O 2.88Å; L147-H191 HydrophobicContact CB-CB 4.42Å; L147-H191 CarbonylContact O-C 3.52Å; L147-H191 WeakPolarHBondContact O-CA 3.46Å; L147-H191 PolarHBondContact O-CD2 2.92Å; L147-F192 PolarHBondContact O-N 2.87Å
148L96.5Very high85.1Confident0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-122.5110-172.3-58.2-175.5000110.2I11 F40 L42 V70 V110 V111 Y112 M113 L146 F192I11-L148 HydrophobicContact CD1-CD2 4.44Å; F40-L148 HydrophobicContact CB-CD1 3.92Å; F40-L148 HydrophobicContact CD1-CD1 3.62Å; F40-L148 HydrophobicContact CE1-CD1 4.31Å; F40-L148 HydrophobicContact CG-CD1 3.79Å; L42-L148 HydrophobicContact CD1-CD2 4.39Å; L42-L148 HydrophobicContact CD2-CB 3.74Å; L42-L148 HydrophobicContact CD2-CD1 4.08Å; L42-L148 HydrophobicContact CD2-CD2 4.19Å; L42-L148 HydrophobicContact CD2-CG 4.22Å; V70-L148 HydrophobicContact CG2-CD1 4.21Å; V110-L148 HydrophobicContact CG1-CD1 3.4Å; V110-L148 HydrophobicContact CG1-CG 3.88Å; V111-L148 PolarHBondContact O-N 2.8Å; Y112-L148 CarbonylContact C-O 3.54Å; Y112-L148 VanDerWaalsContact CA-O 3.26Å; Y112-L148 WeakPolarHBondContact CA-O 3.45Å; M113-L148 PolarHBondContact N-O 3.25Å; L146-L148 HydrophobicContact CB-CD2 4.17Å; L146-L148 HydrophobicContact CB-CG 4.37Å; L146-L148 HydrophobicContact CD1-CD2 4.49Å; L148-F192 HydrophobicContact CD2-CB 3.91Å; L148-F192 HydrophobicContact CD2-CD2 4.37Å
149T95.2Very high87.2Confident0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-133.8134.3-172.669.20000113.9M113 L147 Q151 I179 L182 H191 F192 S193M113-T149 HydrophobicContact CB-CG2 4.37Å; M113-T149 VanDerWaalsContact O-CA 3.28Å; M113-T149 WeakPolarHBondContact O-CA 3.47Å; L147-T149 HydrophobicContact CD1-CG2 3.78Å; L147-T149 HydrophobicContact CD2-CG2 4.4Å; L147-T149 HydrophobicContact CG-CG2 3.87Å; T149-Q151 PolarHBondContact OG1-O 3.45Å; T149-I179 HydrophobicContact CG2-CD1 3.89Å; T149-I179 HydrophobicContact CG2-CG2 3.98Å; T149-L182 HydrophobicContact CG2-CD2 4.48Å; T149-H191 WeakPolarHBondContact CG2-NE2 3.45Å; T149-H191 PolarHBondContact OG1-NE2 2.91Å; T149-F192 PolarHBondContact N-O 2.83Å; T149-S193 WeakPolarHBondContact O-CA 3.34Å; T149-S193 VanDerWaalsContact O-CB 3.24Å; T149-S193 WeakPolarHBondContact O-CB 3.37Å; T149-S193 PolarHBondContact O-OG 2.82Å
150C93.2Very high89.1Confident1 Ų125.6 Ų25.61%0.00713%0.134CC..SBendtrans-65.7-48.3178.1-71.90000111.7M113 A114 S193 G195M113-C150 PolarHBondContact O-N 3.42Å; A114-C150 WeakPolarHBondContact CA-SG 3.4Å; C150-S193 PolarHBondContact O-OG 2.8Å; C150-G195 WeakPolarHBondContact O-CA 3.41Å; C150-G195 PolarHBondContact O-N 3.46Å
151Q92.1Very high90Very high18 Ų1832.5 Ų32.58%0.08416%0.162CC..SBendtrans-83.2152.9173.5-70.1-175.5-30.700112.3W116 T149 I179 S193W116-Q151 HydrophobicContact CB-CG 4.45Å; W116-Q151 HydrophobicContact CD2-CG 4.27Å; W116-Q151 HydrophobicContact CG-CG 4.03Å; T149-Q151 PolarHBondContact OG1-O 3.45Å; Q151-I179 HydrophobicContact CB-CG1 4.49Å; Q151-S193 PolarHBondContact O-OG 2.97Å
152W94.1Very high90.4Very high1 Ų134.4 Ų34.40%0.00418%0.18CC..PPolyproline II helixtrans-76.5145.4173.2-75.324.5000111.3V156 C168 C171 I172 S175 S176 Y200 F221 S223W152-V156 HydrophobicContact CE3-CG1 3.72Å; W152-V156 HydrophobicContact CZ3-CG1 4.28Å; W152-C168 HydrophobicContact CH2-CB 3.78Å; W152-C168 HydrophobicContact CZ3-CB 4.24Å; W152-C171 HydrophobicContact CD2-CB 3.46Å; W152-C171 VanDerWaalsContact CD2-CB 3.46Å; W152-C171 HydrophobicContact CE3-CB 3.62Å; W152-C171 HydrophobicContact CG-CB 4.02Å; W152-C171 HydrophobicContact CH2-CB 3.9Å; W152-C171 HydrophobicContact CZ2-CB 3.75Å; W152-C171 HydrophobicContact CZ3-CB 3.84Å; W152-I172 HydrophobicContact CE3-CD1 3.82Å; W152-I172 HydrophobicContact CE3-CG1 4.49Å; W152-I172 HydrophobicContact CZ3-CD1 3.9Å; W152-I172 HydrophobicContact CZ3-CG1 4.32Å; W152-S175 WeakPolarHBondContact O-CA 3.48Å; W152-S175 WeakPolarHBondContact O-CB 3.1Å; W152-S176 PolarHBondContact O-N 3.32Å; W152-Y200 AromaticContact CH2-CD1 3.5Å; W152-Y200 HydrophobicContact CH2-CD1 3.5Å; W152-Y200 HydrophobicContact CH2-CE1 4.48Å; W152-Y200 AromaticContact CH2-CG 3.78Å; W152-Y200 HydrophobicContact CH2-CG 3.78Å; W152-Y200 HydrophobicContact CZ2-CD1 4.29Å; W152-Y200 AromaticContact CZ3-CD1 3.67Å; W152-Y200 HydrophobicContact CZ3-CD1 3.67Å; W152-Y200 HydrophobicContact CZ3-CE1 4.25Å; W152-Y200 HydrophobicContact CZ3-CG 4.34Å; W152-F221 HydrophobicContact CD2-CE1 4.34Å; W152-F221 HydrophobicContact CD2-CZ 4.11Å; W152-F221 HydrophobicContact CG-CZ 4.04Å; W152-S223 VanDerWaalsContact CE2-CB 3.49Å; W152-S223 WeakPolarHBondContact CZ2-OG 3.42Å; W152-S223 VanDerWaalsContact NE1-CB 3.35Å; W152-S223 PolarHBondContact NE1-OG 2.83Å
153P93.4Very high90.7Very high0 Ų040.1 Ų40.10%021%0.205CC..BIsolated β-bridgetrans-62.5134.4166.918-23.1000111.7V156 I179 F221 Y264P153-V156 HydrophobicContact CG-CB 4Å; P153-V156 HydrophobicContact CG-CG2 4.11Å; P153-V156 WeakPolarHBondContact O-CB 3.41Å; P153-V156 WeakPolarHBondContact O-CG1 3.38Å; P153-V156 PolarHBondContact O-N 2.88Å; P153-I179 HydrophobicContact CB-CB 4.45Å; P153-I179 HydrophobicContact CB-CG2 3.87Å; P153-I179 HydrophobicContact CG-CG2 4.22Å; P153-F221 VanDerWaalsContact CD-CE2 3.43Å; P153-F221 HydrophobicContact CG-CD2 4.07Å; P153-F221 HydrophobicContact CG-CE2 3.78Å; P153-F221 HydrophobicContact CG-CZ 4.48Å; P153-Y264 HydrophobicContact CB-CE1 3.88Å; P153-Y264 HydrophobicContact CB-CE2 4.44Å; P153-Y264 WeakPolarHBondContact CB-OH 3.5Å; P153-Y264 WeakPolarHBondContact CG-OH 3.46Å
154K90.7Very high91Very high81 Ų8142.4 Ų42.435%0.35222%0.217SC..THydrogen-bonded Turntrans-61.6137.7173.6-166.1171-174162.50111.6V156 S175 S176 I177 S180 Y264K154-V156 PolarHBondContact O-N 2.89Å; K154-S175 VanDerWaalsContact CA-OG 3.3Å; K154-S175 WeakPolarHBondContact CA-OG 3.34Å; K154-S176 WeakPolarHBondContact CB-O 3.41Å; K154-S176 PolarHBondContact N-O 3.28Å; K154-I177 HydrophobicContact CB-CB 4.44Å; K154-I177 HydrophobicContact CD-CB 4.14Å; K154-S180 WeakPolarHBondContact CA-OG 3.08Å; K154-S180 WeakPolarHBondContact CB-OG 3.29Å; K154-S180 PolarHBondContact N-OG 2.95Å; K154-S180 PolarHBondContact O-OG 3.28Å; K154-Y264 WeakPolarHBondContact O-CE1 3.38Å
155H91.4Very high90.8Very high55 Ų5544.8 Ų44.826%0.25523%0.233SC..THydrogen-bonded Turntrans6123-174-56.3-62.2000115.3N157 K158 F267H155-N157 PolarHBondContact O-N 3.01Å; H155-N157 VanDerWaalsContact O-N 3.15Å; H155-K158 HydrophobicContact CB-CB 4.42Å; H155-K158 HydrophobicContact CB-CD 4.01Å; H155-K158 HydrophobicContact CB-CG 4Å; H155-K158 WeakPolarHBondContact O-CB 3.46Å; H155-K158 PolarHBondContact O-N 2.91Å; H155-F267 HydrophobicContact CB-CE2 3.87Å; H155-F267 HydrophobicContact CB-CZ 4.34Å; H155-F267 AromaticContact CD2-CD2 3.97Å; H155-F267 AromaticContact CD2-CE1 3.57Å; H155-F267 AromaticContact CD2-CE2 3.28Å; H155-F267 WeakPolarHBondContact CD2-CE2 3.41Å; H155-F267 AromaticContact CD2-CZ 3.03Å; H155-F267 WeakPolarHBondContact CD2-CZ 3.48Å; H155-F267 AromaticContact CG-CE2 3.66Å; H155-F267 AromaticContact CG-CZ 3.64Å; H155-F267 AromaticContact NE2-CE1 3.65Å; H155-F267 AromaticContact NE2-CZ 3.4Å; H155-F267 WeakPolarHBondContact NE2-CZ 3.27Å
156V93.3Very high90.4Very high0 Ų051.8 Ų51.80%027%0.27CS..THydrogen-bonded Turntrans-53.5-34.9173.865.70000113W152 P153 K154 K158 I172 R202 F221W152-V156 HydrophobicContact CE3-CG1 3.72Å; W152-V156 HydrophobicContact CZ3-CG1 4.28Å; P153-V156 HydrophobicContact CG-CB 4Å; P153-V156 HydrophobicContact CG-CG2 4.11Å; P153-V156 WeakPolarHBondContact O-CB 3.41Å; P153-V156 WeakPolarHBondContact O-CG1 3.38Å; P153-V156 PolarHBondContact O-N 2.88Å; K154-V156 PolarHBondContact O-N 2.89Å; V156-K158 VanDerWaalsContact C-N 3.27Å; V156-K158 PolarHBondContact O-N 3.21Å; V156-I172 HydrophobicContact CG1-CD1 3.62Å; V156-R202 WeakPolarHBondContact O-CD 3.13Å; V156-R202 PolarHBondContact O-NE 3.29Å; V156-F221 HydrophobicContact CG2-CB 4.25Å; V156-F221 HydrophobicContact CG2-CD1 3.53Å; V156-F221 HydrophobicContact CG2-CD2 4.07Å; V156-F221 HydrophobicContact CG2-CE1 3.86Å; V156-F221 HydrophobicContact CG2-CE2 4.37Å; V156-F221 HydrophobicContact CG2-CG 3.65Å; V156-F221 HydrophobicContact CG2-CZ 4.27Å
157N91.6Very high89.8Confident48 Ų4853.2 Ų53.226%0.25729%0.285SS..THydrogen-bonded Turntrans-77.32.717668.1-32.8000115H155 T160 L164 I172H155-N157 PolarHBondContact O-N 3.01Å; H155-N157 VanDerWaalsContact O-N 3.15Å; N157-T160 PolarHBondContact O-OG1 3.27Å; N157-T160 VanDerWaalsContact O-OG1 3.12Å; N157-L164 HydrophobicContact CB-CD1 4.28Å; N157-I172 HydrophobicContact CB-CD1 4.02Å
158K90.7Very high89.5Confident65 Ų6553.2 Ų53.228%0.28329%0.285SS..THydrogen-bonded Turntrans-66.7148.2171-93.4-168.9174.7-174.50110.7H155 V156 T160 R202 P263 E266 F267H155-K158 HydrophobicContact CB-CB 4.42Å; H155-K158 HydrophobicContact CB-CD 4.01Å; H155-K158 HydrophobicContact CB-CG 4Å; H155-K158 WeakPolarHBondContact O-CB 3.46Å; H155-K158 PolarHBondContact O-N 2.91Å; V156-K158 VanDerWaalsContact C-N 3.27Å; V156-K158 PolarHBondContact O-N 3.21Å; K158-T160 PolarHBondContact O-N 2.88Å; K158-T160 VanDerWaalsContact O-N 3.13Å; K158-R202 PolarHBondContact O-NH2 3.19Å; K158-P263 HydrophobicContact CB-CB 3.86Å; K158-E266 IonicContact NZ-OE2 2.87Å; K158-E266 PolarHBondContact NZ-OE2 2.84Å; K158-F267 HydrophobicContact CD-CE2 4.05Å; K158-F267 HydrophobicContact CD-CZ 4.47Å; K158-F267 VanDerWaalsContact NZ-CE2 3.34Å
159L89.4Confident89.2Confident101 Ų10157.9 Ų57.953%0.52931%0.307SS..THydrogen-bonded Turntrans63.96.7172.7-50.7174.9000115.9T260 E261L159-T260 WeakPolarHBondContact O-CG2 3.43Å; L159-E261 HydrophobicContact CD1-CB 3.96Å
160T88.3Confident88.9Confident27 Ų2763.7 Ų63.717%0.16633%0.334CS..  trans-83.2140.1171.654.60000111.2N157 K158 R202N157-T160 PolarHBondContact O-OG1 3.27Å; N157-T160 VanDerWaalsContact O-OG1 3.12Å; K158-T160 PolarHBondContact O-N 2.88Å; K158-T160 VanDerWaalsContact O-N 3.13Å; T160-R202 HydrophobicContact CG2-CG 3.78Å
161L80.7Confident88.8Confident178 Ų17863.7 Ų63.793%0.93233%0.334SS*.SBendtrans-79.5-19.9174.3-62177000113.2
162S81.1Confident88.6Confident76 Ų7663.9 Ų63.953%0.53134%0.335SS..SBendtrans-82.2141.7179.5-51.10000111.9
163E84.8Confident88.4Confident185 Ų18569.3 Ų69.386%0.86436%0.364SS*.PPolyproline II helixtrans-64.4154.7169.2-63.8-176.9160.400111.7
164L88.3Confident88.1Confident48 Ų4871.6 Ų71.625%0.25138%0.38SS..PPolyproline II helixtrans-81.7122.8-177.3-174.868.7000110.3N157 C168 Q169 I172 Y200N157-L164 HydrophobicContact CB-CD1 4.28Å; L164-C168 HydrophobicContact CD1-CB 3.66Å; L164-C168 HydrophobicContact CD2-CB 4.22Å; L164-C168 HydrophobicContact CG-CB 3.74Å; L164-Q169 HydrophobicContact CD2-CB 4.45Å; L164-I172 HydrophobicContact CD1-CG1 4.39Å; L164-I172 HydrophobicContact CD2-CG1 3.72Å; L164-Y200 HydrophobicContact CD1-CE1 4.49Å; L164-Y200 HydrophobicContact CD1-CE2 4.25Å
165P86.7Confident88.1Confident57 Ų5768.5 Ų68.537%0.3737%0.369SS..PPolyproline II helixtrans-65.6154.1-175.8-24.135000115G167 C168 Y200P165-G167 PolarHBondContact O-N 3.38Å; P165-C168 WeakPolarHBondContact O-CB 3.21Å; P165-C168 PolarHBondContact O-N 3.03Å; P165-C168 PolarHBondContact O-SG 3.47Å; P165-C168 VanDerWaalsContact O-SG 3.39Å; P165-Y200 HydrophobicContact CG-CD2 4.01Å; P165-Y200 HydrophobicContact CG-CE2 4.44Å
166D84Confident88Confident146 Ų14666 Ų6678%0.78136%0.358SS*.THydrogen-bonded Turntrans-51.9125.6-177.2-73.3-40.7000113.8C168 R231D166-C168 VanDerWaalsContact C-N 3.32Å; D166-R231 PolarHBondContact O-NH1 3.04Å
167G83.9Confident87.7Confident31 Ų3167.6 Ų67.632%0.3237%0.366SS..THydrogen-bonded Turntrans87.9-16.3-178.300000114.9P165 Q169 Q170P165-G167 PolarHBondContact O-N 3.38Å; G167-Q169 PolarHBondContact O-N 2.87Å; G167-Q170 PolarHBondContact O-N 3.02Å
168C90.2Very high87.3Confident0 Ų066 Ų660%036%0.357CS..Hα-helixtrans-66.7-20.6174.3-62.80000112.8W152 L164 P165 D166 Q170 C171 I172 V198W152-C168 HydrophobicContact CH2-CB 3.78Å; W152-C168 HydrophobicContact CZ3-CB 4.24Å; L164-C168 HydrophobicContact CD1-CB 3.66Å; L164-C168 HydrophobicContact CD2-CB 4.22Å; L164-C168 HydrophobicContact CG-CB 3.74Å; P165-C168 WeakPolarHBondContact O-CB 3.21Å; P165-C168 PolarHBondContact O-N 3.03Å; P165-C168 PolarHBondContact O-SG 3.47Å; P165-C168 VanDerWaalsContact O-SG 3.39Å; D166-C168 VanDerWaalsContact C-N 3.32Å; C168-Q170 VanDerWaalsContact C-N 3.29Å; C168-Q170 PolarHBondContact O-N 3.38Å; C168-C171 WeakPolarHBondContact O-CB 3.32Å; C168-C171 PolarHBondContact O-N 3.05Å; C168-I172 PolarHBondContact O-N 3.32Å; C168-I172 VanDerWaalsContact O-N 3.15Å; C168-V198 VanDerWaalsContact SG-CG1 3.51Å
169Q90.1Very high87.3Confident97 Ų9763 Ų6345%0.45334%0.344SS..Hα-helixtrans-55-43.4177.3-175.458.347.700112L164 G167 C171 I172 D173L164-Q169 HydrophobicContact CD2-CB 4.45Å; G167-Q169 PolarHBondContact O-N 2.87Å; Q169-C171 PolarHBondContact O-N 3.44Å; Q169-I172 CarbonylContact O-C 3.56Å; Q169-I172 WeakPolarHBondContact O-CA 3.22Å; Q169-I172 WeakPolarHBondContact O-CB 3.47Å; Q169-I172 PolarHBondContact O-N 3.27Å; Q169-D173 PolarHBondContact NE2-OD1 3.5Å; Q169-D173 PolarHBondContact O-N 2.7Å
170Q88.7Confident87.4Confident123 Ų12358.2 Ų58.258%0.57532%0.319SS*.Hα-helixtrans-60.9-33.4177.8-171.1179.8-7.900112.2G167 C168 D173 S174 N196G167-Q170 PolarHBondContact O-N 3.02Å; C168-Q170 VanDerWaalsContact C-N 3.29Å; C168-Q170 PolarHBondContact O-N 3.38Å; Q170-D173 PolarHBondContact O-N 2.8Å; Q170-S174 WeakPolarHBondContact O-CB 3.48Å; Q170-S174 PolarHBondContact O-N 2.68Å; Q170-S174 PolarHBondContact O-OG 3.19Å; Q170-S174 VanDerWaalsContact O-OG 3.09Å; Q170-N196 PolarHBondContact O-ND2 3.05Å
171C90.3Very high87.4Confident0 Ų058.7 Ų58.70%032%0.318CS..Hα-helixtrans-72.6-26.5174-54.80000113.2W152 C168 Q169 S175 N196W152-C171 HydrophobicContact CD2-CB 3.46Å; W152-C171 VanDerWaalsContact CD2-CB 3.46Å; W152-C171 HydrophobicContact CE3-CB 3.62Å; W152-C171 HydrophobicContact CG-CB 4.02Å; W152-C171 HydrophobicContact CH2-CB 3.9Å; W152-C171 HydrophobicContact CZ2-CB 3.75Å; W152-C171 HydrophobicContact CZ3-CB 3.84Å; C168-C171 WeakPolarHBondContact O-CB 3.32Å; C168-C171 PolarHBondContact O-N 3.05Å; Q169-C171 PolarHBondContact O-N 3.44Å; C171-S175 WeakPolarHBondContact O-CB 3.42Å; C171-S175 PolarHBondContact O-N 2.98Å; C171-N196 WeakPolarHBondContact CA-ND2 3.33Å; C171-N196 PolarHBondContact N-ND2 2.93Å; C171-N196 PolarHBondContact SG-N 2.8Å; C171-N196 VanDerWaalsContact SG-N 3.45Å; C171-N196 PolarHBondContact SG-ND2 2.8Å
172I89.9Confident87.7Confident22 Ų2250.2 Ų50.211%0.11327%0.273CS..Hα-helixtrans-75.8-39.6170.7-61.5-61.5000110.5W152 V156 N157 L164 C168 Q169 S174 S175W152-I172 HydrophobicContact CE3-CD1 3.82Å; W152-I172 HydrophobicContact CE3-CG1 4.49Å; W152-I172 HydrophobicContact CZ3-CD1 3.9Å; W152-I172 HydrophobicContact CZ3-CG1 4.32Å; V156-I172 HydrophobicContact CG1-CD1 3.62Å; N157-I172 HydrophobicContact CB-CD1 4.02Å; L164-I172 HydrophobicContact CD1-CG1 4.39Å; L164-I172 HydrophobicContact CD2-CG1 3.72Å; C168-I172 PolarHBondContact O-N 3.32Å; C168-I172 VanDerWaalsContact O-N 3.15Å; Q169-I172 CarbonylContact O-C 3.56Å; Q169-I172 WeakPolarHBondContact O-CA 3.22Å; Q169-I172 WeakPolarHBondContact O-CB 3.47Å; Q169-I172 PolarHBondContact O-N 3.27Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.73Å; I172-S175 VanDerWaalsContact O-CB 3.32Å; I172-S175 WeakPolarHBondContact O-CB 3.38Å; I172-S175 PolarHBondContact O-N 2.82Å; I172-S175 PolarHBondContact O-OG 3.21Å
173D88.1Confident88.2Confident116 Ų11646.6 Ų46.662%0.6225%0.248SC*.Hα-helixtrans-66-37.2177-57.3-31.3000111.1Q169 Q170 S175Q169-D173 PolarHBondContact NE2-OD1 3.5Å; Q169-D173 PolarHBondContact O-N 2.7Å; Q170-D173 PolarHBondContact O-N 2.8Å; D173-S175 PolarHBondContact O-N 2.79Å
174S87.9Confident88.5Confident47 Ų4739.8 Ų39.833%0.32922%0.215SC..THydrogen-bonded Turntrans-93.429.7175.279.20000114.1Q170 I172 N196Q170-S174 WeakPolarHBondContact O-CB 3.48Å; Q170-S174 PolarHBondContact O-N 2.68Å; Q170-S174 PolarHBondContact O-OG 3.19Å; Q170-S174 VanDerWaalsContact O-OG 3.09Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.73Å; S174-N196 PolarHBondContact OG-ND2 2.94Å; S174-N196 VanDerWaalsContact OG-ND2 3.09Å
175S90.9Very high88.3Confident17 Ų1738.5 Ų38.512%0.11921%0.208CC..  trans-94140-175.564.10000114.1W152 K154 C171 I172 D173W152-S175 WeakPolarHBondContact O-CA 3.48Å; W152-S175 WeakPolarHBondContact O-CB 3.1Å; K154-S175 VanDerWaalsContact CA-OG 3.3Å; K154-S175 WeakPolarHBondContact CA-OG 3.34Å; C171-S175 WeakPolarHBondContact O-CB 3.42Å; C171-S175 PolarHBondContact O-N 2.98Å; I172-S175 VanDerWaalsContact O-CB 3.32Å; I172-S175 WeakPolarHBondContact O-CB 3.38Å; I172-S175 PolarHBondContact O-N 2.82Å; I172-S175 PolarHBondContact O-OG 3.21Å; D173-S175 PolarHBondContact O-N 2.79Å
176S88.9Confident88.3Confident3 Ų336 Ų362%0.02119%0.192CC..BIsolated β-bridgetrans-96.3136.1-171.3162.20000112.9E117 W152 K154 L178 I179 S180E117-S176 WeakPolarHBondContact OE2-CA 3.28Å; E117-S176 WeakPolarHBondContact OE2-CB 3.42Å; E117-S176 PolarHBondContact OE2-OG 3.45Å; W152-S176 PolarHBondContact O-N 3.32Å; K154-S176 WeakPolarHBondContact CB-O 3.41Å; K154-S176 PolarHBondContact N-O 3.28Å; S176-L178 WeakPolarHBondContact OG-CB 3.25Å; S176-L178 PolarHBondContact OG-N 2.96Å; S176-I179 WeakPolarHBondContact OG-CG1 3.39Å; S176-I179 PolarHBondContact OG-N 3.46Å; S176-I179 VanDerWaalsContact OG-N 3.12Å; S176-S180 PolarHBondContact O-N 2.82Å; S176-S180 PolarHBondContact O-OG 2.79Å
177I87Confident88.7Confident33 Ų3332.5 Ų32.517%0.16917%0.168CC..Hα-helixtrans-82.4-25.6175.6-164165.4000112E117 K154 I179 S180 R181 F267E117-I177 PolarHBondContact OE2-N 3.22Å; E117-I177 VanDerWaalsContact OE2-N 3.14Å; K154-I177 HydrophobicContact CB-CB 4.44Å; K154-I177 HydrophobicContact CD-CB 4.14Å; I177-I179 VanDerWaalsContact C-N 3.31Å; I177-S180 PolarHBondContact O-N 3Å; I177-R181 WeakPolarHBondContact O-CG 3.33Å; I177-R181 PolarHBondContact O-N 3.25Å; I177-F267 HydrophobicContact CD1-CB 4.5Å
178L84.3Confident89.2Confident15 Ų1531 Ų318%0.07915%0.153CC..Hα-helixtrans-58.4-44.9166.8-66.1173.6000110.6E117 C123 N124 L125 S176 S180 R181 L182E117-L178 HydrophobicContact CB-CD1 4.34Å; E117-L178 HydrophobicContact CG-CD1 3.92Å; E117-L178 HydrophobicContact CG-CG 4.49Å; E117-L178 PolarHBondContact OE2-N 2.97Å; C123-L178 VanDerWaalsContact C-CD2 3.4Å; N124-L178 WeakPolarHBondContact O-CD2 3.4Å; L125-L178 HydrophobicContact CD1-CD2 4.14Å; S176-L178 WeakPolarHBondContact OG-CB 3.25Å; S176-L178 PolarHBondContact OG-N 2.96Å; L178-S180 PolarHBondContact O-N 2.92Å; L178-R181 WeakPolarHBondContact O-CB 3.43Å; L178-R181 PolarHBondContact O-N 3.48Å; L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 PolarHBondContact O-N 2.64Å
179I90.3Very high89.4Confident1 Ų132.3 Ų32.31%0.00516%0.157CC..Hα-helixtrans-67.4-34.4178.5-59.3-56.4000112.1M113 T149 Q151 P153 S176 I177 L182 A183M113-I179 HydrophobicContact CB-CD1 4.19Å; M113-I179 HydrophobicContact CG-CD1 4.07Å; M113-I179 HydrophobicContact SD-CD1 3.57Å; M113-I179 VanDerWaalsContact SD-CD1 3.57Å; T149-I179 HydrophobicContact CG2-CD1 3.89Å; T149-I179 HydrophobicContact CG2-CG2 3.98Å; Q151-I179 HydrophobicContact CB-CG1 4.49Å; P153-I179 HydrophobicContact CB-CB 4.45Å; P153-I179 HydrophobicContact CB-CG2 3.87Å; P153-I179 HydrophobicContact CG-CG2 4.22Å; S176-I179 WeakPolarHBondContact OG-CG1 3.39Å; S176-I179 PolarHBondContact OG-N 3.46Å; S176-I179 VanDerWaalsContact OG-N 3.12Å; I177-I179 VanDerWaalsContact C-N 3.31Å; I179-L182 HydrophobicContact CD1-CD2 4.35Å; I179-A183 WeakPolarHBondContact O-CB 3.41Å; I179-A183 PolarHBondContact O-N 2.94Å
180S91.3Very high89.8Confident1 Ų129.5 Ų29.51%0.00714%0.143CC..Hα-helixtrans-62.7-43170.9-49.20000112.4K154 S176 I177 L178 A183 Y184 Y264K154-S180 WeakPolarHBondContact CA-OG 3.08Å; K154-S180 WeakPolarHBondContact CB-OG 3.29Å; K154-S180 PolarHBondContact N-OG 2.95Å; K154-S180 PolarHBondContact O-OG 3.28Å; S176-S180 PolarHBondContact O-N 2.82Å; S176-S180 PolarHBondContact O-OG 2.79Å; I177-S180 PolarHBondContact O-N 3Å; L178-S180 PolarHBondContact O-N 2.92Å; S180-A183 PolarHBondContact O-N 2.58Å; S180-Y184 WeakPolarHBondContact O-CB 3.34Å; S180-Y184 PolarHBondContact O-N 3.48Å; S180-Y264 WeakPolarHBondContact O-CD2 3.08Å
181R87.2Confident90.2Very high36 Ų3623.6 Ų23.614%0.13612%0.116CC..Hα-helixtrans-65.9-44.5177.5-74.8164.9170.2-132.8-21.4111.4C123 L125 I177 L178 A183 Y184 L185 V268C123-R181 PolarHBondContact O-NH1 3.27Å; L125-R181 HydrophobicContact CD1-CB 3.67Å; I177-R181 WeakPolarHBondContact O-CG 3.33Å; I177-R181 PolarHBondContact O-N 3.25Å; L178-R181 WeakPolarHBondContact O-CB 3.43Å; L178-R181 PolarHBondContact O-N 3.48Å; R181-A183 PolarHBondContact O-N 2.86Å; R181-Y184 PolarHBondContact O-N 2.95Å; R181-L185 WeakPolarHBondContact O-CB 3.5Å; R181-L185 VanDerWaalsContact O-CG 3.32Å; R181-L185 WeakPolarHBondContact O-CG 3.36Å; R181-L185 PolarHBondContact O-N 3.31Å; R181-V268 HydrophobicContact CG-CG2 4.01Å
182L87.6Confident90.5Very high0 Ų023.6 Ų23.60%012%0.116CC..Hα-helixtrans-59.1-46.5175.4-174.864000111.1V111 M113 L125 L129 L147 T149 L178 I179 Y184 L185 T186V111-L182 HydrophobicContact CG1-CD1 4.32Å; M113-L182 HydrophobicContact CB-CD2 3.97Å; M113-L182 HydrophobicContact SD-CD2 3.93Å; L125-L182 HydrophobicContact CD2-CB 4.14Å; L125-L182 HydrophobicContact CD2-CD1 3.77Å; L129-L182 HydrophobicContact CB-CD1 4.42Å; L129-L182 HydrophobicContact CD1-CD1 4.37Å; L147-L182 HydrophobicContact CD1-CD2 3.72Å; L147-L182 HydrophobicContact CD1-CG 3.99Å; L147-L182 HydrophobicContact CD2-CG 4.28Å; T149-L182 HydrophobicContact CG2-CD2 4.48Å; L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 PolarHBondContact O-N 2.64Å; I179-L182 HydrophobicContact CD1-CD2 4.35Å; L182-Y184 PolarHBondContact O-N 3.12Å; L182-L185 PolarHBondContact O-N 2.81Å; L182-T186 HydrophobicContact CD1-CG2 3.74Å; L182-T186 HydrophobicContact CG-CG2 4.34Å; L182-T186 WeakPolarHBondContact O-CB 3.24Å; L182-T186 WeakPolarHBondContact O-CG2 3.26Å; L182-T186 PolarHBondContact O-N 2.74Å; L182-T186 PolarHBondContact O-OG1 3.33Å
183A92.3Very high90.9Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-65.6-35.1177.200000113.4L147 I179 S180 R181 R187 P188 Y264L147-A183 HydrophobicContact CD2-CB 3.79Å; I179-A183 WeakPolarHBondContact O-CB 3.41Å; I179-A183 PolarHBondContact O-N 2.94Å; S180-A183 PolarHBondContact O-N 2.58Å; R181-A183 PolarHBondContact O-N 2.86Å; A183-R187 PolarHBondContact O-N 2.92Å; A183-P188 WeakPolarHBondContact O-CD 3.23Å; A183-Y264 HydrophobicContact CB-CD2 4.1Å; A183-Y264 HydrophobicContact CB-CE2 3.64Å
184Y90Very high91Very high43 Ų4317.1 Ų17.117%0.1698%0.081CC..Hα-helixtrans-66.6-50.2174.1-174.9-111.3000112.4S180 R181 L182 R187 R265 V268 D269S180-Y184 WeakPolarHBondContact O-CB 3.34Å; S180-Y184 PolarHBondContact O-N 3.48Å; R181-Y184 PolarHBondContact O-N 2.95Å; L182-Y184 PolarHBondContact O-N 3.12Å; Y184-R187 VanDerWaalsContact O-CG 3.25Å; Y184-R187 WeakPolarHBondContact O-CG 3.32Å; Y184-R265 HydrophobicContact CD2-CG 4.47Å; Y184-R265 HydrophobicContact CE2-CB 4.33Å; Y184-R265 HydrophobicContact CE2-CG 3.51Å; Y184-V268 HydrophobicContact CD1-CB 3.65Å; Y184-V268 HydrophobicContact CD1-CG1 3.67Å; Y184-V268 HydrophobicContact CD1-CG2 3.59Å; Y184-V268 HydrophobicContact CE1-CB 3.71Å; Y184-V268 HydrophobicContact CE1-CG1 3.82Å; Y184-V268 HydrophobicContact CE1-CG2 4.13Å; Y184-V268 HydrophobicContact CG-CB 4.37Å; Y184-V268 HydrophobicContact CG-CG2 3.86Å; Y184-D269 PolarHBondContact OH-OD1 2.77Å
185L85.3Confident90.8Very high20 Ų2015.3 Ų15.311%0.1057%0.07CC..Hα-helixtrans-72.3-43.1-175.3-64.4169000112.3L125 L130 A133 L134 R181 L182 R187L125-L185 HydrophobicContact CD2-CD1 4.43Å; L130-L185 HydrophobicContact CD1-CD1 3.8Å; A133-L185 HydrophobicContact CB-CB 3.78Å; L134-L185 HydrophobicContact CD2-CD2 4.28Å; R181-L185 WeakPolarHBondContact O-CB 3.5Å; R181-L185 VanDerWaalsContact O-CG 3.32Å; R181-L185 WeakPolarHBondContact O-CG 3.36Å; R181-L185 PolarHBondContact O-N 3.31Å; L182-L185 PolarHBondContact O-N 2.81Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.07Å
186T86.9Confident90.5Very high6 Ų617 Ų174%0.0378%0.078CC..Hα-helixtrans-77-13.5-178.759.80000113.9V111 A133 F141 G143 V144 L182V111-T186 HydrophobicContact CG1-CG2 4.37Å; V111-T186 HydrophobicContact CG2-CG2 4.3Å; A133-T186 HydrophobicContact CB-CG2 4.19Å; F141-T186 WeakPolarHBondContact CZ-O 3.34Å; G143-T186 VanDerWaalsContact CA-O 3.32Å; G143-T186 WeakPolarHBondContact CA-O 3.32Å; V144-T186 PolarHBondContact N-O 3.06Å; V144-T186 VanDerWaalsContact N-O 3.16Å; L182-T186 HydrophobicContact CD1-CG2 3.74Å; L182-T186 HydrophobicContact CG-CG2 4.34Å; L182-T186 WeakPolarHBondContact O-CB 3.24Å; L182-T186 WeakPolarHBondContact O-CG2 3.26Å; L182-T186 PolarHBondContact O-N 2.74Å; L182-T186 PolarHBondContact O-OG1 3.33Å
187R90.7Very high90.5Very high71 Ų7117.3 Ų17.327%0.2688%0.081SC..  trans43.157.6178.5-53.8176.5-166.2-149.95.6112.1E137 G143 A183 Y184 L185 N207 H217E137-R187 IonicContact OE1-CZ 2.88Å; E137-R187 IonicContact OE1-NE 2.93Å; E137-R187 IonicContact OE1-NH2 2.65Å; E137-R187 PolarHBondContact OE1-NH2 2.74Å; G143-R187 WeakPolarHBondContact CA-O 3.14Å; A183-R187 PolarHBondContact O-N 2.92Å; Y184-R187 VanDerWaalsContact O-CG 3.25Å; Y184-R187 WeakPolarHBondContact O-CG 3.32Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.07Å; R187-N207 HydrophobicContact CB-CB 4.13Å; R187-N207 HydrophobicContact CG-CB 4.37Å; R187-H217 PolarHBondContact O-CE1 3.14Å; R187-H217 VanDerWaalsContact O-CE1 3.23Å; R187-H217 PolarHBondContact O-NE2 2.85Å
188P94.3Very high90.7Very high0 Ų016.2 Ų16.20%08%0.076CC..  trans-72.5150.1-170.531.1-35000111.8V144 L147 A183 H191 T219V144-P188 HydrophobicContact CG2-CB 3.73Å; V144-P188 CarbonylContact O-C 3.35Å; V144-P188 WeakPolarHBondContact O-CA 3.26Å; L147-P188 HydrophobicContact CB-CB 3.58Å; L147-P188 HydrophobicContact CB-CG 3.72Å; L147-P188 HydrophobicContact CD2-CG 4.02Å; A183-P188 WeakPolarHBondContact O-CD 3.23Å; P188-H191 HydrophobicContact CG-CB 4.22Å; P188-T219 HydrophobicContact CG-CG2 4Å; P188-T219 WeakPolarHBondContact O-CA 3.31Å; P188-T219 VanDerWaalsContact O-CB 3.23Å; P188-T219 WeakPolarHBondContact O-CB 3.48Å; P188-T219 VanDerWaalsContact O-CG2 3.26Å; P188-T219 WeakPolarHBondContact O-CG2 3.38Å; P188-T219 PolarHBondContact O-OG1 3.13Å
189R95.2Very high91.2Very high27 Ų2717.6 Ų17.610%0.1028%0.08CC..SBendtrans-72.2-39.4171.5-70.1171.260.1-139.61.1111.8V144 D145 H217 T219 R220 I242 I244 M247V144-R189 PolarHBondContact O-N 2.96Å; D145-R189 PolarHBondContact O-N 2.85Å; D145-R189 IonicContact OD1-CZ 3.61Å; D145-R189 IonicContact OD1-NH1 3.61Å; D145-R189 PolarHBondContact OD1-NH1 2.83Å; R189-H217 VanDerWaalsContact CG-CD2 3.43Å; R189-H217 WeakPolarHBondContact CG-CD2 3.36Å; R189-T219 WeakPolarHBondContact O-CA 3.49Å; R189-R220 PolarHBondContact O-N 3.16Å; R189-I242 PolarHBondContact NH1-O 2.85Å; R189-I244 HydrophobicContact CG-CD1 3.96Å; R189-I244 HydrophobicContact CG-CG1 4.49Å; R189-M247 PolarHBondContact NH2-SD 2.92Å
190Y97.7Very high91.4Very high38 Ų3818 Ų1815%0.1498%0.082CC..EExtended strand (participates in β ladder)trans-129.2132.7172-63.6-106.2000109.9D145 L146 L147 F192 R220 I222 L239 L241D145-Y190 PolarHBondContact O-N 2.89Å; L146-Y190 CarbonylContact C-O 3.58Å; L146-Y190 WeakPolarHBondContact CA-O 3.4Å; L146-Y190 HydrophobicContact CD2-CG 4.47Å; L147-Y190 PolarHBondContact N-O 2.88Å; Y190-F192 AromaticContact CD1-CE2 3.93Å; Y190-F192 HydrophobicContact CD1-CE2 3.93Å; Y190-F192 HydrophobicContact CD1-CZ 4.15Å; Y190-F192 HydrophobicContact CG-CE2 4.06Å; Y190-R220 CarbonylContact C-O 3.37Å; Y190-R220 WeakPolarHBondContact CA-O 3.13Å; Y190-R220 HydrophobicContact CD1-CB 4Å; Y190-R220 HydrophobicContact CD1-CG 4.48Å; Y190-R220 HydrophobicContact CE1-CB 4.26Å; Y190-R220 HydrophobicContact CE1-CG 4.31Å; Y190-I222 HydrophobicContact CD1-CD1 4.3Å; Y190-L239 HydrophobicContact CD1-CD2 3.91Å; Y190-L239 HydrophobicContact CE1-CD2 3.57Å; Y190-L241 HydrophobicContact CD2-CD1 4.39Å; Y190-L241 HydrophobicContact CD2-CD2 4.01Å; Y190-L241 HydrophobicContact CE2-CD2 3.39Å
191H97.6Very high91.6Very high0 Ų021.4 Ų21.40%010%0.098CC..EExtended strand (participates in β ladder)trans-113.2108.1170.6-175.1176000108L147 T149 P188 T219 R220 F221 I222L147-H191 HydrophobicContact CB-CB 4.42Å; L147-H191 CarbonylContact O-C 3.52Å; L147-H191 WeakPolarHBondContact O-CA 3.46Å; L147-H191 PolarHBondContact O-CD2 2.92Å; T149-H191 WeakPolarHBondContact CG2-NE2 3.45Å; T149-H191 PolarHBondContact OG1-NE2 2.91Å; P188-H191 HydrophobicContact CG-CB 4.22Å; H191-T219 HydrophobicContact CB-CG2 4.04Å; H191-R220 PolarHBondContact N-O 3.12Å; H191-F221 HydrophobicContact CB-CD2 3.95Å; H191-F221 AromaticContact CG-CD2 3.7Å; H191-F221 AromaticContact ND1-CD2 3.77Å; H191-F221 WeakPolarHBondContact O-CA 3.19Å; H191-I222 PolarHBondContact O-N 2.86Å
192F97.9Very high91.9Very high0 Ų020 Ų200%09%0.093CC..EExtended strand (participates in β ladder)trans-97.8143.2174.7-73.1-88.9000111.6I11 L42 L146 L147 L148 T149 Y190 I222 L224 Y237 L239I11-F192 HydrophobicContact CB-CD1 4.16Å; I11-F192 HydrophobicContact CB-CE1 4.28Å; I11-F192 HydrophobicContact CB-CG 4.36Å; I11-F192 HydrophobicContact CG1-CD1 4.33Å; I11-F192 HydrophobicContact CG1-CD2 4.05Å; I11-F192 HydrophobicContact CG1-CE1 4.23Å; I11-F192 HydrophobicContact CG1-CE2 3.95Å; I11-F192 HydrophobicContact CG1-CG 4.24Å; I11-F192 HydrophobicContact CG1-CZ 4.05Å; I11-F192 HydrophobicContact CG2-CB 3.97Å; I11-F192 HydrophobicContact CG2-CD1 3.9Å; I11-F192 HydrophobicContact CG2-CD2 4.41Å; I11-F192 HydrophobicContact CG2-CG 3.84Å; L42-F192 HydrophobicContact CD1-CB 3.66Å; L146-F192 HydrophobicContact CD2-CD2 4.31Å; L146-F192 HydrophobicContact CD2-CE2 4.18Å; L147-F192 PolarHBondContact O-N 2.87Å; L148-F192 HydrophobicContact CD2-CB 3.91Å; L148-F192 HydrophobicContact CD2-CD2 4.37Å; T149-F192 PolarHBondContact N-O 2.83Å; Y190-F192 AromaticContact CD1-CE2 3.93Å; Y190-F192 HydrophobicContact CD1-CE2 3.93Å; Y190-F192 HydrophobicContact CD1-CZ 4.15Å; Y190-F192 HydrophobicContact CG-CE2 4.06Å; F192-I222 VanDerWaalsContact CA-O 3.27Å; F192-I222 WeakPolarHBondContact CA-O 3.2Å; F192-I222 HydrophobicContact CD1-CB 3.78Å; F192-I222 HydrophobicContact CD1-CD1 4.42Å; F192-I222 HydrophobicContact CD1-CG2 3.93Å; F192-I222 HydrophobicContact CE1-CB 3.68Å; F192-I222 HydrophobicContact CE1-CD1 3.55Å; F192-I222 HydrophobicContact CE1-CG1 4.22Å; F192-I222 HydrophobicContact CE1-CG2 3.73Å; F192-I222 HydrophobicContact CE2-CD1 4.47Å; F192-I222 HydrophobicContact CZ-CB 4.47Å; F192-I222 HydrophobicContact CZ-CD1 3.58Å; F192-L224 HydrophobicContact CD1-CD1 4.23Å; F192-L224 HydrophobicContact CD1-CG 4.35Å; F192-Y237 HydrophobicContact CE1-CD1 4.05Å; F192-Y237 HydrophobicContact CE1-CD2 4.22Å; F192-Y237 AromaticContact CE1-CG 3.84Å; F192-Y237 HydrophobicContact CE1-CG 3.84Å; F192-Y237 AromaticContact CZ-CD1 3.94Å; F192-Y237 HydrophobicContact CZ-CD1 3.94Å; F192-Y237 HydrophobicContact CZ-CE1 4.31Å; F192-Y237 HydrophobicContact CZ-CG 4.22Å; F192-L239 HydrophobicContact CE2-CD1 3.67Å; F192-L239 HydrophobicContact CZ-CD1 3.81Å; F192-L239 HydrophobicContact CZ-CD2 4.18Å; F192-L239 HydrophobicContact CZ-CG 4.31Å
193S96.4Very high92.2Very high0 Ų021.4 Ų21.40%010%0.102CC..EExtended strand (participates in β ladder)trans-144.9-179.9174.8-166.70000111.5T149 C150 Q151 I222 S223 L224T149-S193 WeakPolarHBondContact O-CA 3.34Å; T149-S193 VanDerWaalsContact O-CB 3.24Å; T149-S193 WeakPolarHBondContact O-CB 3.37Å; T149-S193 PolarHBondContact O-OG 2.82Å; C150-S193 PolarHBondContact O-OG 2.8Å; Q151-S193 PolarHBondContact O-OG 2.97Å; S193-I222 PolarHBondContact N-O 2.72Å; S193-S223 CarbonylContact O-C 3.51Å; S193-S223 VanDerWaalsContact O-CA 3.31Å; S193-S223 WeakPolarHBondContact O-CA 3.47Å; S193-L224 PolarHBondContact O-N 2.92Å
194C91.3Very high92.4Very high2 Ų221.8 Ų21.81%0.01410%0.104CC..  trans-135.5-36.3174.2640000112.9D14 L42 G43 N196 G197 S223 L224D14-C194 WeakPolarHBondContact OD2-CB 3.34Å; D14-C194 PolarHBondContact OD2-SG 3.49Å; L42-C194 HydrophobicContact CB-CB 4.49Å; G43-C194 VanDerWaalsContact CA-SG 3.57Å; C194-N196 PolarHBondContact O-N 3.14Å; C194-G197 PolarHBondContact O-N 3.4Å; C194-G197 VanDerWaalsContact O-N 3.1Å; C194-S223 PolarHBondContact O-OG 3.23Å; C194-L224 WeakPolarHBondContact CA-O 3.19Å
195G82.7Confident92.7Very high9 Ų919.7 Ų19.79%0.09310%0.096CC..THydrogen-bonded Turntrans59-123.5175.800000111.9C150 G197C150-G195 WeakPolarHBondContact O-CA 3.41Å; C150-G195 PolarHBondContact O-N 3.46Å; G195-G197 VanDerWaalsContact C-N 3.28Å; G195-G197 PolarHBondContact O-N 2.88Å
196N84.5Confident93.1Very high53 Ų5321 Ų2128%0.28310%0.1SC..THydrogen-bonded Turntrans-92.433.3177.2-58.1-70.6000112.6Q170 C171 S174 C194Q170-N196 PolarHBondContact O-ND2 3.05Å; C171-N196 WeakPolarHBondContact CA-ND2 3.33Å; C171-N196 PolarHBondContact N-ND2 2.93Å; C171-N196 PolarHBondContact SG-N 2.8Å; C171-N196 VanDerWaalsContact SG-N 3.45Å; C171-N196 PolarHBondContact SG-ND2 2.8Å; S174-N196 PolarHBondContact OG-ND2 2.94Å; S174-N196 VanDerWaalsContact OG-ND2 3.09Å; C194-N196 PolarHBondContact O-N 3.14Å
197G88.8Confident93.3Very high8 Ų821.1 Ų21.18%0.08210%0.1CC..THydrogen-bonded Turntrans74.629176.100000114.9C194 G195 A225 D226C194-G197 PolarHBondContact O-N 3.4Å; C194-G197 VanDerWaalsContact O-N 3.1Å; G195-G197 VanDerWaalsContact C-N 3.28Å; G195-G197 PolarHBondContact O-N 2.88Å; G197-A225 VanDerWaalsContact O-CA 3.25Å; G197-A225 WeakPolarHBondContact O-CA 3.46Å; G197-A225 WeakPolarHBondContact O-CB 3.39Å; G197-D226 WeakPolarHBondContact CA-OD1 3.41Å; G197-D226 PolarHBondContact O-N 2.8Å
198V92.5Very high93.1Very high11 Ų1118 Ų187%0.0679%0.089CC..  trans-116.5132.2-175.8-172.80000111.3C168 S223C168-V198 VanDerWaalsContact SG-CG1 3.51Å; V198-S223 WeakPolarHBondContact O-CB 3.37Å; V198-S223 PolarHBondContact O-OG 2.98Å
199Y94.7Very high92.6Very high43 Ų4322 Ų2217%0.16910%0.104CC..  trans-78129.8174.2171.8-106000111.7E201 I222 S223 L224 K234Y199-E201 HydrophobicContact CE2-CB 4.28Å; Y199-E201 WeakPolarHBondContact OH-CB 3.41Å; Y199-E201 PolarHBondContact OH-OE2 2.86Å; Y199-I222 HydrophobicContact CE2-CG2 4.24Å; Y199-S223 WeakPolarHBondContact CA-O 3.19Å; Y199-S223 WeakPolarHBondContact CD2-O 3.29Å; Y199-L224 HydrophobicContact CD2-CD2 4.44Å; Y199-K234 HydrophobicContact CD1-CG 4.44Å; Y199-K234 HydrophobicContact CD2-CB 3.75Å; Y199-K234 HydrophobicContact CD2-CD 4.33Å; Y199-K234 HydrophobicContact CD2-CG 4.34Å; Y199-K234 HydrophobicContact CE1-CD 4.08Å; Y199-K234 HydrophobicContact CE1-CG 4.32Å; Y199-K234 HydrophobicContact CE2-CB 4.04Å; Y199-K234 HydrophobicContact CE2-CD 3.77Å; Y199-K234 HydrophobicContact CE2-CG 4.28Å; Y199-K234 HydrophobicContact CG-CB 4.03Å; Y199-K234 HydrophobicContact CG-CG 4.45Å; Y199-K234 WeakPolarHBondContact OH-CE 3.28Å; Y199-K234 PolarHBondContact OH-NZ 3.35Å
200Y94.6Very high92Very high10 Ų1024 Ų244%0.03912%0.119CC..EExtended strand (participates in β ladder)trans-149.9139173.7173.3-123.1000109.1W152 L164 P165 R202 F221 I222 S223W152-Y200 AromaticContact CH2-CD1 3.5Å; W152-Y200 HydrophobicContact CH2-CD1 3.5Å; W152-Y200 HydrophobicContact CH2-CE1 4.48Å; W152-Y200 AromaticContact CH2-CG 3.78Å; W152-Y200 HydrophobicContact CH2-CG 3.78Å; W152-Y200 HydrophobicContact CZ2-CD1 4.29Å; W152-Y200 AromaticContact CZ3-CD1 3.67Å; W152-Y200 HydrophobicContact CZ3-CD1 3.67Å; W152-Y200 HydrophobicContact CZ3-CE1 4.25Å; W152-Y200 HydrophobicContact CZ3-CG 4.34Å; L164-Y200 HydrophobicContact CD1-CE1 4.49Å; L164-Y200 HydrophobicContact CD1-CE2 4.25Å; P165-Y200 HydrophobicContact CG-CD2 4.01Å; P165-Y200 HydrophobicContact CG-CE2 4.44Å; Y200-R202 HydrophobicContact CE1-CB 4.01Å; Y200-F221 HydrophobicContact CD1-CD1 4.3Å; Y200-F221 HydrophobicContact CD1-CE1 4.06Å; Y200-F221 HydrophobicContact CE1-CD1 4.47Å; Y200-I222 CarbonylContact O-C 3.55Å; Y200-I222 WeakPolarHBondContact O-CA 3.41Å; Y200-S223 PolarHBondContact N-O 2.8Å; Y200-S223 VanDerWaalsContact N-O 3.16Å; Y200-S223 PolarHBondContact O-N 2.84Å
201E94.5Very high91.2Very high73 Ų7330.7 Ų30.734%0.34116%0.156SC..EExtended strand (participates in β ladder)trans-131.1121.1178.5-176.9160169.500108.4Y199 I222 K234Y199-E201 HydrophobicContact CE2-CB 4.28Å; Y199-E201 WeakPolarHBondContact OH-CB 3.41Å; Y199-E201 PolarHBondContact OH-OE2 2.86Å; E201-I222 HydrophobicContact CG-CG1 3.92Å; E201-K234 IonicContact OE2-NZ 3.3Å
202R94.2Very high90.2Very high7 Ų737.4 Ų37.43%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-99.2134-173.7160.8174.5-157.1-58.97.5110.5V156 K158 T160 Y200 F221 T260V156-R202 WeakPolarHBondContact O-CD 3.13Å; V156-R202 PolarHBondContact O-NE 3.29Å; K158-R202 PolarHBondContact O-NH2 3.19Å; T160-R202 HydrophobicContact CG2-CG 3.78Å; Y200-R202 HydrophobicContact CE1-CB 4.01Å; R202-F221 HydrophobicContact CB-CB 4.22Å; R202-F221 HydrophobicContact CB-CD1 4.3Å; R202-F221 PolarHBondContact N-O 3.18Å; R202-T260 PolarHBondContact NH1-OG1 3.23Å; R202-T260 PolarHBondContact NH2-OG1 3.28Å
203S94.5Very high89.2Confident28 Ų2841.3 Ų41.320%0.19621%0.206CC..EExtended strand (participates in β ladder)trans-46.2130.2166.5-740000111.3D258S203-D258 VanDerWaalsContact CA-OD2 3.27Å; S203-D258 WeakPolarHBondContact CA-OD2 3.33Å; S203-D258 WeakPolarHBondContact CB-OD2 3.4Å; S203-D258 PolarHBondContact OG-OD2 3.5Å
204P95.9Very high88.2Confident8 Ų847.1 Ų47.15%0.05223%0.231CC..EExtended strand (participates in β ladder)trans-62.1159.1-165.4-30.742.8000114.7T219 R220 P256 D258 V259 T260P204-T219 CarbonylContact C-O 3.59Å; P204-T219 VanDerWaalsContact CA-O 3.24Å; P204-T219 WeakPolarHBondContact CA-O 3.26Å; P204-T219 WeakPolarHBondContact CB-O 3.4Å; P204-R220 HydrophobicContact CB-CG 4.29Å; P204-R220 HydrophobicContact CG-CG 3.91Å; P204-P256 HydrophobicContact CB-CG 3.95Å; P204-P256 HydrophobicContact CG-CG 3.77Å; P204-D258 WeakPolarHBondContact CD-OD2 3.1Å; P204-V259 WeakPolarHBondContact O-CA 3.38Å; P204-T260 PolarHBondContact O-N 2.89Å; P204-T260 PolarHBondContact O-OG1 3.36Å
205Y95.6Very high87.9Confident0 Ų048.8 Ų48.80%025%0.245CC..EExtended strand (participates in β ladder)trans-121.7150.6175.360.6-95.2000113.5T218 T219 T260 N262 P263 Y264Y205-T218 CarbonylContact O-C 3.55Å; Y205-T218 WeakPolarHBondContact O-CA 3.38Å; Y205-T218 VanDerWaalsContact O-CB 3.29Å; Y205-T218 WeakPolarHBondContact O-CB 3.39Å; Y205-T219 HydrophobicContact CE1-CG2 3.78Å; Y205-T219 VanDerWaalsContact CE2-CB 3.48Å; Y205-T219 HydrophobicContact CE2-CG2 4.18Å; Y205-T219 WeakPolarHBondContact CE2-OG1 3.44Å; Y205-T219 PolarHBondContact N-O 3.03Å; Y205-T219 PolarHBondContact O-N 3.09Å; Y205-T219 WeakPolarHBondContact OH-CG2 3.47Å; Y205-T260 CarbonylContact C-O 3.6Å; Y205-T260 VanDerWaalsContact CA-O 3.28Å; Y205-T260 WeakPolarHBondContact CA-O 3.31Å; Y205-N262 HydrophobicContact CD2-CB 4.32Å; Y205-N262 WeakPolarHBondContact CD2-ND2 3.28Å; Y205-N262 WeakPolarHBondContact CE2-ND2 3.4Å; Y205-P263 HydrophobicContact CD1-CG 4.28Å; Y205-P263 HydrophobicContact CG-CG 4.48Å; Y205-Y264 HydrophobicContact CE1-CE2 4.32Å; Y205-Y264 HydrophobicContact CE2-CE2 4.37Å; Y205-Y264 AromaticContact CZ-CE2 3.79Å; Y205-Y264 WeakPolarHBondContact OH-CE2 3Å
206R94.3Very high88Confident47 Ų4749.4 Ų49.418%0.17725%0.248CC..EExtended strand (participates in β ladder)trans-73.5141.8177.3-63.8-177.3174.598.58.6112.8H208 Q255 V259 T260 E261 N262R206-H208 WeakPolarHBondContact CB-O 3.49Å; R206-Q255 VanDerWaalsContact CZ-OE1 3.27Å; R206-V259 HydrophobicContact CG-CG2 3.74Å; R206-T260 PolarHBondContact N-O 3Å; R206-E261 WeakPolarHBondContact CD-OE1 3.46Å; R206-E261 IonicContact CZ-OE1 2.66Å; R206-E261 IonicContact NE-OE1 3.73Å; R206-E261 IonicContact NH1-OE1 2.73Å; R206-E261 PolarHBondContact NH1-OE1 3.19Å; R206-N262 WeakPolarHBondContact O-CB 3.38Å; R206-N262 PolarHBondContact O-ND2 2.82Å
207N91.1Very high88.3Confident8 Ų847 Ų474%0.04324%0.235CC..SBendtrans-97.318.9167.4-65.2-38.6000113.7R187 H217 T219R187-N207 HydrophobicContact CB-CB 4.13Å; R187-N207 HydrophobicContact CG-CB 4.37Å; N207-H217 PolarHBondContact N-O 2.95Å; N207-H217 VanDerWaalsContact N-O 3.14Å; N207-H217 PolarHBondContact ND2-CD2 2.94Å; N207-H217 PolarHBondContact ND2-NE2 3.04Å; N207-H217 VanDerWaalsContact ND2-NE2 3.12Å; N207-T219 PolarHBondContact ND2-OG1 3.41Å; N207-T219 PolarHBondContact OD1-OG1 3.29Å
208H86.8Confident88.6Confident7 Ų747.3 Ų47.33%0.03224%0.235CC..SBendtrans-146.1148.3177.263.2-79.7000110.7R206 E213 K214 C216 Q255 R265R206-H208 WeakPolarHBondContact CB-O 3.49Å; H208-E213 WeakPolarHBondContact CA-OE2 3.47Å; H208-E213 HydrophobicContact CB-CB 4.19Å; H208-K214 WeakPolarHBondContact CB-O 3.47Å; H208-C216 HydrophobicContact CB-CB 4.03Å; H208-C216 PolarHBondContact CE1-O 2.79Å; H208-C216 PolarHBondContact ND1-N 3.31Å; H208-C216 VanDerWaalsContact ND1-N 3.14Å; H208-C216 PolarHBondContact ND1-O 3.46Å; H208-Q255 PolarHBondContact CE1-NE2 3.08Å; H208-Q255 PolarHBondContact NE2-NE2 2.96Å; H208-R265 PolarHBondContact O-NH2 2.87Å
209R83.7Confident88.9Confident84 Ų8446.8 Ų46.832%0.31723%0.232SC..  trans-78.7119.3173-66.2-178.8179.9-151.40.2110.5L211 Q212 E213 D269R209-L211 PolarHBondContact O-N 3.13Å; R209-Q212 HydrophobicContact CB-CB 3.88Å; R209-Q212 VanDerWaalsContact CD-OE1 3.24Å; R209-Q212 PolarHBondContact O-N 2.95Å; R209-Q212 VanDerWaalsContact O-N 3.16Å; R209-E213 HydrophobicContact CB-CB 4.37Å; R209-E213 HydrophobicContact CB-CG 4.03Å; R209-E213 WeakPolarHBondContact CD-OE1 3.38Å; R209-E213 HydrophobicContact CG-CG 4.5Å; R209-E213 WeakPolarHBondContact CG-OE1 3.44Å; R209-E213 PolarHBondContact N-OE2 3Å; R209-E213 IonicContact NE-OE1 2.68Å; R209-E213 PolarHBondContact O-N 3.16Å; R209-D269 IonicContact CZ-OD2 2.57Å; R209-D269 IonicContact NH2-OD2 3.82Å; R209-D269 PolarHBondContact NH2-OD2 3.42Å
210V83.7Confident89Confident69 Ų6949.2 Ų49.242%0.41824%0.241SC..THydrogen-bonded Turntrans-57.1132.8179.3-179.80000110.7Q212 E261V210-Q212 PolarHBondContact O-N 3.03Å; V210-E261 WeakPolarHBondContact CG2-OE1 3.35Å
211L80.2Confident89.1Confident177 Ų17748.8 Ų48.893%0.92724%0.239SC*.THydrogen-bonded Turntrans61.5-6.9-174.6-59.2173.1000117.1R209R209-L211 PolarHBondContact O-N 3.13Å
212Q76.6Confident89.2Confident141 Ų14145.3 Ų45.366%0.65922%0.223SC*.THydrogen-bonded Turntrans-106.4-32.1179.1-62.4-179.34.200112.9R209 V210R209-Q212 HydrophobicContact CB-CB 3.88Å; R209-Q212 VanDerWaalsContact CD-OE1 3.24Å; R209-Q212 PolarHBondContact O-N 2.95Å; R209-Q212 VanDerWaalsContact O-N 3.16Å; V210-Q212 PolarHBondContact O-N 3.03Å
213E76.4Confident89.3Confident83 Ų8345 Ų4539%0.38822%0.221SC..SBendtrans-123.6159-176.4-69.5164.1-163.300110.9H208 R209 A215H208-E213 WeakPolarHBondContact CA-OE2 3.47Å; H208-E213 HydrophobicContact CB-CB 4.19Å; R209-E213 HydrophobicContact CB-CB 4.37Å; R209-E213 HydrophobicContact CB-CG 4.03Å; R209-E213 WeakPolarHBondContact CD-OE1 3.38Å; R209-E213 HydrophobicContact CG-CG 4.5Å; R209-E213 WeakPolarHBondContact CG-OE1 3.44Å; R209-E213 PolarHBondContact N-OE2 3Å; R209-E213 IonicContact NE-OE1 2.68Å; R209-E213 PolarHBondContact O-N 3.16Å; E213-A215 PolarHBondContact O-N 2.75Å
214K76.8Confident89.5Confident121 Ų12143.6 Ų43.653%0.52621%0.212SC..  trans-60.1134.7174.1-174.7179.4177-179.90109.4H208 C216 H249H208-K214 WeakPolarHBondContact CB-O 3.47Å; K214-C216 PolarHBondContact O-N 3.19Å; K214-H249 WeakPolarHBondContact CE-NE2 3.42Å; K214-H249 PolarHBondContact NZ-NE2 3.3Å
215A84.3Confident89.5Confident38 Ų3843.2 Ų43.231%0.31421%0.21SC..  trans-53.2129.8174.200000111.1E213 I253E213-A215 PolarHBondContact O-N 2.75Å; A215-I253 HydrophobicContact CB-CB 4.39Å; A215-I253 HydrophobicContact CB-CG2 4.32Å; A215-I253 WeakPolarHBondContact O-CG2 3.45Å
216C84.1Confident89.5Confident21 Ų2144.4 Ų44.414%0.14222%0.216CC..  trans-137.9173.3-178.4-1510000108.9H208 K214H208-C216 HydrophobicContact CB-CB 4.03Å; H208-C216 PolarHBondContact CE1-O 2.79Å; H208-C216 PolarHBondContact ND1-N 3.31Å; H208-C216 VanDerWaalsContact ND1-N 3.14Å; H208-C216 PolarHBondContact ND1-O 3.46Å; K214-C216 PolarHBondContact O-N 3.19Å
217H91.8Very high89.5Confident3 Ų342.2 Ų42.21%0.01421%0.208CC..  trans-64.9171.1-177.366-65.8000114.6L142 R187 R189 N207 L252L142-H217 PolarHBondContact O-CE1 2.66Å; L142-H217 PolarHBondContact O-ND1 3.14Å; R187-H217 PolarHBondContact O-CE1 3.14Å; R187-H217 VanDerWaalsContact O-CE1 3.23Å; R187-H217 PolarHBondContact O-NE2 2.85Å; R189-H217 VanDerWaalsContact CG-CD2 3.43Å; R189-H217 WeakPolarHBondContact CG-CD2 3.36Å; N207-H217 PolarHBondContact N-O 2.95Å; N207-H217 VanDerWaalsContact N-O 3.14Å; N207-H217 PolarHBondContact ND2-CD2 2.94Å; N207-H217 PolarHBondContact ND2-NE2 3.04Å; N207-H217 VanDerWaalsContact ND2-NE2 3.12Å; H217-L252 WeakPolarHBondContact CA-O 3.49Å; H217-L252 HydrophobicContact CB-CD1 3.67Å; H217-L252 HydrophobicContact CB-CG 4.04Å; H217-L252 WeakPolarHBondContact CB-O 3.16Å
218T95.4Very high89.6Confident14 Ų1448.4 Ų48.49%0.08623%0.234CC..EExtended strand (participates in β ladder)trans-105144171.862.30000111.6Y205 Q255 V259Y205-T218 CarbonylContact O-C 3.55Å; Y205-T218 WeakPolarHBondContact O-CA 3.38Å; Y205-T218 VanDerWaalsContact O-CB 3.29Å; Y205-T218 WeakPolarHBondContact O-CB 3.39Å; T218-Q255 HydrophobicContact CG2-CB 4.27Å; T218-Q255 HydrophobicContact CG2-CG 4.17Å; T218-V259 HydrophobicContact CG2-CG2 3.56Å
219T97Very high89.9Confident0 Ų049 Ų490%024%0.237CC..EExtended strand (participates in β ladder)trans-86.4137.6168.1-54.10000111.6P188 R189 H191 P204 Y205 N207P188-T219 HydrophobicContact CG-CG2 4Å; P188-T219 WeakPolarHBondContact O-CA 3.31Å; P188-T219 VanDerWaalsContact O-CB 3.23Å; P188-T219 WeakPolarHBondContact O-CB 3.48Å; P188-T219 VanDerWaalsContact O-CG2 3.26Å; P188-T219 WeakPolarHBondContact O-CG2 3.38Å; P188-T219 PolarHBondContact O-OG1 3.13Å; R189-T219 WeakPolarHBondContact O-CA 3.49Å; H191-T219 HydrophobicContact CB-CG2 4.04Å; P204-T219 CarbonylContact C-O 3.59Å; P204-T219 VanDerWaalsContact CA-O 3.24Å; P204-T219 WeakPolarHBondContact CA-O 3.26Å; P204-T219 WeakPolarHBondContact CB-O 3.4Å; Y205-T219 HydrophobicContact CE1-CG2 3.78Å; Y205-T219 VanDerWaalsContact CE2-CB 3.48Å; Y205-T219 HydrophobicContact CE2-CG2 4.18Å; Y205-T219 WeakPolarHBondContact CE2-OG1 3.44Å; Y205-T219 PolarHBondContact N-O 3.03Å; Y205-T219 PolarHBondContact O-N 3.09Å; Y205-T219 WeakPolarHBondContact OH-CG2 3.47Å; N207-T219 PolarHBondContact ND2-OG1 3.41Å; N207-T219 PolarHBondContact OD1-OG1 3.29Å
220R97Very high90.2Very high94 Ų9454 Ų5436%0.35527%0.265SS..EExtended strand (participates in β ladder)trans-102.1123.3165.9-53.5-168.5173.1-132.5-1.5109.7R189 Y190 H191 P204R189-R220 PolarHBondContact O-N 3.16Å; Y190-R220 CarbonylContact C-O 3.37Å; Y190-R220 WeakPolarHBondContact CA-O 3.13Å; Y190-R220 HydrophobicContact CD1-CB 4Å; Y190-R220 HydrophobicContact CD1-CG 4.48Å; Y190-R220 HydrophobicContact CE1-CB 4.26Å; Y190-R220 HydrophobicContact CE1-CG 4.31Å; H191-R220 PolarHBondContact N-O 3.12Å; P204-R220 HydrophobicContact CB-CG 4.29Å; P204-R220 HydrophobicContact CG-CG 3.91Å
221F97.4Very high90.5Very high1 Ų157.8 Ų57.80%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-101.7127174.9176.5-89.2000111.1W152 P153 V156 H191 Y200 R202W152-F221 HydrophobicContact CD2-CE1 4.34Å; W152-F221 HydrophobicContact CD2-CZ 4.11Å; W152-F221 HydrophobicContact CG-CZ 4.04Å; P153-F221 VanDerWaalsContact CD-CE2 3.43Å; P153-F221 HydrophobicContact CG-CD2 4.07Å; P153-F221 HydrophobicContact CG-CE2 3.78Å; P153-F221 HydrophobicContact CG-CZ 4.48Å; V156-F221 HydrophobicContact CG2-CB 4.25Å; V156-F221 HydrophobicContact CG2-CD1 3.53Å; V156-F221 HydrophobicContact CG2-CD2 4.07Å; V156-F221 HydrophobicContact CG2-CE1 3.86Å; V156-F221 HydrophobicContact CG2-CE2 4.37Å; V156-F221 HydrophobicContact CG2-CG 3.65Å; V156-F221 HydrophobicContact CG2-CZ 4.27Å; H191-F221 HydrophobicContact CB-CD2 3.95Å; H191-F221 AromaticContact CG-CD2 3.7Å; H191-F221 AromaticContact ND1-CD2 3.77Å; H191-F221 WeakPolarHBondContact O-CA 3.19Å; Y200-F221 HydrophobicContact CD1-CD1 4.3Å; Y200-F221 HydrophobicContact CD1-CE1 4.06Å; Y200-F221 HydrophobicContact CE1-CD1 4.47Å; R202-F221 HydrophobicContact CB-CB 4.22Å; R202-F221 HydrophobicContact CB-CD1 4.3Å; R202-F221 PolarHBondContact N-O 3.18Å
222I97.2Very high91.1Very high0 Ų056.5 Ų56.50%027%0.266CS..EExtended strand (participates in β ladder)trans-137.1113.2-176.9-60.4155.5000109.5Y190 H191 F192 S193 Y199 Y200 E201 L224 Y237Y190-I222 HydrophobicContact CD1-CD1 4.3Å; H191-I222 PolarHBondContact O-N 2.86Å; F192-I222 VanDerWaalsContact CA-O 3.27Å; F192-I222 WeakPolarHBondContact CA-O 3.2Å; F192-I222 HydrophobicContact CD1-CB 3.78Å; F192-I222 HydrophobicContact CD1-CD1 4.42Å; F192-I222 HydrophobicContact CD1-CG2 3.93Å; F192-I222 HydrophobicContact CE1-CB 3.68Å; F192-I222 HydrophobicContact CE1-CD1 3.55Å; F192-I222 HydrophobicContact CE1-CG1 4.22Å; F192-I222 HydrophobicContact CE1-CG2 3.73Å; F192-I222 HydrophobicContact CE2-CD1 4.47Å; F192-I222 HydrophobicContact CZ-CB 4.47Å; F192-I222 HydrophobicContact CZ-CD1 3.58Å; S193-I222 PolarHBondContact N-O 2.72Å; Y199-I222 HydrophobicContact CE2-CG2 4.24Å; Y200-I222 CarbonylContact O-C 3.55Å; Y200-I222 WeakPolarHBondContact O-CA 3.41Å; E201-I222 HydrophobicContact CG-CG1 3.92Å; I222-L224 HydrophobicContact CG2-CD2 3.77Å; I222-L224 HydrophobicContact CG2-CG 4.49Å; I222-Y237 HydrophobicContact CD1-CD2 4.25Å; I222-Y237 HydrophobicContact CD1-CE1 4.35Å; I222-Y237 HydrophobicContact CD1-CE2 3.7Å; I222-Y237 HydrophobicContact CG1-CE2 4.43Å; I222-Y237 HydrophobicContact CG2-CD2 4.03Å; I222-Y237 HydrophobicContact CG2-CE2 4.28Å
223S96.6Very high91.9Very high0 Ų051.9 Ų51.90%024%0.244CC..EExtended strand (participates in β ladder)trans-86.4141163.9-1730000110.5W152 S193 C194 V198 Y199 Y200W152-S223 VanDerWaalsContact CE2-CB 3.49Å; W152-S223 WeakPolarHBondContact CZ2-OG 3.42Å; W152-S223 VanDerWaalsContact NE1-CB 3.35Å; W152-S223 PolarHBondContact NE1-OG 2.83Å; S193-S223 CarbonylContact O-C 3.51Å; S193-S223 VanDerWaalsContact O-CA 3.31Å; S193-S223 WeakPolarHBondContact O-CA 3.47Å; C194-S223 PolarHBondContact O-OG 3.23Å; V198-S223 WeakPolarHBondContact O-CB 3.37Å; V198-S223 PolarHBondContact O-OG 2.98Å; Y199-S223 WeakPolarHBondContact CA-O 3.19Å; Y199-S223 WeakPolarHBondContact CD2-O 3.29Å; Y200-S223 PolarHBondContact N-O 2.8Å; Y200-S223 VanDerWaalsContact N-O 3.16Å; Y200-S223 PolarHBondContact O-N 2.84Å
224L96.8Very high92.7Very high0 Ų053 Ų530%025%0.247CC..  trans-110.5145.7177-58180000111.1I11 F192 S193 C194 Y199 I222 Y237I11-L224 HydrophobicContact CB-CD1 4.07Å; I11-L224 HydrophobicContact CG2-CD1 3.78Å; I11-L224 WeakPolarHBondContact O-CD1 3.34Å; F192-L224 HydrophobicContact CD1-CD1 4.23Å; F192-L224 HydrophobicContact CD1-CG 4.35Å; S193-L224 PolarHBondContact O-N 2.92Å; C194-L224 WeakPolarHBondContact CA-O 3.19Å; Y199-L224 HydrophobicContact CD2-CD2 4.44Å; I222-L224 HydrophobicContact CG2-CD2 3.77Å; I222-L224 HydrophobicContact CG2-CG 4.49Å; L224-Y237 HydrophobicContact CD2-CD2 4.43Å
225A96.3Very high93.7Very high0 Ų049.1 Ų49.10%023%0.23CC..PPolyproline II helixtrans-82.3171.7178.300000113.3G197 N229 Q233 K234 Y235G197-A225 VanDerWaalsContact O-CA 3.25Å; G197-A225 WeakPolarHBondContact O-CA 3.46Å; G197-A225 WeakPolarHBondContact O-CB 3.39Å; A225-N229 HydrophobicContact CB-CB 4.42Å; A225-N229 WeakPolarHBondContact CB-ND2 3.32Å; A225-Q233 HydrophobicContact CB-CB 3.61Å; A225-K234 PolarHBondContact N-O 3.44Å; A225-Y235 VanDerWaalsContact O-CA 3.29Å; A225-Y235 WeakPolarHBondContact O-CA 3.34Å; A225-Y235 WeakPolarHBondContact O-CB 3.46Å
226D95.6Very high94.2Very high25 Ų2548.7 Ų48.713%0.13422%0.222CC..PPolyproline II helixtrans-59.6144.1172.1-66.41.5000111.9K16 G197 K228 N229 Y235K16-D226 WeakPolarHBondContact CD-OD2 3.43Å; K16-D226 WeakPolarHBondContact CE-OD1 3.32Å; K16-D226 WeakPolarHBondContact CE-OD2 3.45Å; K16-D226 IonicContact NZ-OD1 2.74Å; K16-D226 PolarHBondContact NZ-OD1 2.83Å; K16-D226 IonicContact NZ-OD2 2.81Å; K16-D226 PolarHBondContact NZ-OD2 3.08Å; G197-D226 WeakPolarHBondContact CA-OD1 3.41Å; G197-D226 PolarHBondContact O-N 2.8Å; D226-K228 PolarHBondContact O-N 3.03Å; D226-N229 HydrophobicContact CB-CB 4.01Å; D226-N229 WeakPolarHBondContact O-CB 3.26Å; D226-N229 PolarHBondContact O-N 3.48Å; D226-N229 PolarHBondContact O-ND2 2.91Å; D226-Y235 WeakPolarHBondContact O-CB 3.44Å
227V95.8Very high94.8Very high0 Ų050 Ų500%022%0.224CC..THydrogen-bonded Turntrans-54.1122.8160.81750000108.8C12 D14 V15 R18 A21 L22 N229 Y235C12-V227 VanDerWaalsContact SG-CG2 3.58Å; D14-V227 PolarHBondContact O-N 2.84Å; V15-V227 HydrophobicContact CB-CG2 4.33Å; V15-V227 HydrophobicContact CG1-CG2 4.34Å; V15-V227 HydrophobicContact CG2-CG2 4.2Å; R18-V227 HydrophobicContact CB-CG1 4.04Å; R18-V227 VanDerWaalsContact CD-O 3.27Å; R18-V227 WeakPolarHBondContact CD-O 3.41Å; R18-V227 PolarHBondContact NH1-O 3Å; A21-V227 HydrophobicContact CB-CG1 4.24Å; L22-V227 HydrophobicContact CB-CG1 4.46Å; L22-V227 HydrophobicContact CD1-CG2 4.47Å; V227-N229 VanDerWaalsContact C-N 3.34Å; V227-N229 PolarHBondContact O-N 3.27Å; V227-Y235 HydrophobicContact CB-CD2 4.33Å; V227-Y235 HydrophobicContact CG1-CE2 4.47Å; V227-Y235 HydrophobicContact CG2-CD2 3.81Å; V227-Y235 HydrophobicContact CG2-CE2 4.33Å; V227-Y235 HydrophobicContact CG2-CG 4.41Å
228K92.7Very high95Very high139 Ų13952.4 Ų52.460%0.60425%0.245SC*.THydrogen-bonded Turntrans61.531.3-175.9-65.3-79.1-167162.10114.9A21 D226A21-K228 HydrophobicContact CB-CG 3.86Å; D226-K228 PolarHBondContact O-N 3.03Å
229N92Very high95Very high18 Ų1852.3 Ų52.310%0.09624%0.244CC..  trans-54.2145.2168.169.688.9000112.7A225 D226 V227 R231 N232 Q233A225-N229 HydrophobicContact CB-CB 4.42Å; A225-N229 WeakPolarHBondContact CB-ND2 3.32Å; D226-N229 HydrophobicContact CB-CB 4.01Å; D226-N229 WeakPolarHBondContact O-CB 3.26Å; D226-N229 PolarHBondContact O-N 3.48Å; D226-N229 PolarHBondContact O-ND2 2.91Å; V227-N229 VanDerWaalsContact C-N 3.34Å; V227-N229 PolarHBondContact O-N 3.27Å; N229-R231 PolarHBondContact O-N 3.01Å; N229-R231 PolarHBondContact OD1-N 2.87Å; N229-N232 PolarHBondContact O-N 2.58Å; N229-N232 PolarHBondContact OD1-N 3.14Å; N229-Q233 PolarHBondContact ND2-O 2.81Å; N229-Q233 WeakPolarHBondContact OD1-CB 3.47Å; N229-Q233 PolarHBondContact OD1-N 3.23Å
230E91.3Very high94.8Very high190 Ų19058 Ų5889%0.88827%0.268SS*.THydrogen-bonded Turntrans-63.7-28.9-176.8-58.8178.5162.800113.2N232E230-N232 PolarHBondContact O-N 2.86Å; E230-N232 PolarHBondContact O-ND2 2.88Å
231R89.6Confident94.5Very high148 Ų14853.5 Ų53.556%0.55825%0.252SS*.THydrogen-bonded Turntrans-79.1-2-177.9-58.8-178.4-179.6-163.90.2113.6D166 N229 Q233D166-R231 PolarHBondContact O-NH1 3.04Å; N229-R231 PolarHBondContact O-N 3.01Å; N229-R231 PolarHBondContact OD1-N 2.87Å; R231-Q233 HydrophobicContact CB-CG 3.92Å; R231-Q233 PolarHBondContact O-N 3Å; R231-Q233 VanDerWaalsContact O-N 3.13Å
232N91.7Very high94.3Very high151 Ų15155.4 Ų55.481%0.80726%0.261SS*.  trans52.226.8-173.1-66.8-84.6000114.5N229 E230N229-N232 PolarHBondContact O-N 2.58Å; N229-N232 PolarHBondContact OD1-N 3.14Å; E230-N232 PolarHBondContact O-N 2.86Å; E230-N232 PolarHBondContact O-ND2 2.88Å
233Q93.4Very high93.9Very high43 Ų4355.5 Ų55.520%0.20126%0.262CS..  trans-67.9158.4175.4-77.1-175-16.400112.2A225 N229 R231 Y235A225-Q233 HydrophobicContact CB-CB 3.61Å; N229-Q233 PolarHBondContact ND2-O 2.81Å; N229-Q233 WeakPolarHBondContact OD1-CB 3.47Å; N229-Q233 PolarHBondContact OD1-N 3.23Å; R231-Q233 HydrophobicContact CB-CG 3.92Å; R231-Q233 PolarHBondContact O-N 3Å; R231-Q233 VanDerWaalsContact O-N 3.13Å; Q233-Y235 PolarHBondContact O-N 3.04Å
234K94.6Very high93.4Very high106 Ų10655.5 Ų55.546%0.46126%0.262SS..  trans-67.5114.6-178.8-54.2-176.5-163.8164.20110.8Y199 E201 A225Y199-K234 HydrophobicContact CD1-CG 4.44Å; Y199-K234 HydrophobicContact CD2-CB 3.75Å; Y199-K234 HydrophobicContact CD2-CD 4.33Å; Y199-K234 HydrophobicContact CD2-CG 4.34Å; Y199-K234 HydrophobicContact CE1-CD 4.08Å; Y199-K234 HydrophobicContact CE1-CG 4.32Å; Y199-K234 HydrophobicContact CE2-CB 4.04Å; Y199-K234 HydrophobicContact CE2-CD 3.77Å; Y199-K234 HydrophobicContact CE2-CG 4.28Å; Y199-K234 HydrophobicContact CG-CB 4.03Å; Y199-K234 HydrophobicContact CG-CG 4.45Å; Y199-K234 WeakPolarHBondContact OH-CE 3.28Å; Y199-K234 PolarHBondContact OH-NZ 3.35Å; E201-K234 IonicContact OE2-NZ 3.3Å; A225-K234 PolarHBondContact N-O 3.44Å
235Y96.2Very high92.7Very high40 Ų4057.5 Ų57.516%0.15727%0.273CS..  trans-103.6-10.3172.459.8-96.2000113.7C12 G13 R25 A225 D226 V227 Q233C12-Y235 CarbonylContact C-O 3.57Å; C12-Y235 VanDerWaalsContact CA-O 3.3Å; C12-Y235 WeakPolarHBondContact CA-O 3.45Å; G13-Y235 PolarHBondContact N-O 2.86Å; R25-Y235 HydrophobicContact CB-CE2 4.42Å; R25-Y235 HydrophobicContact CG-CE2 4.14Å; R25-Y235 WeakPolarHBondContact CG-OH 3.47Å; A225-Y235 VanDerWaalsContact O-CA 3.29Å; A225-Y235 WeakPolarHBondContact O-CA 3.34Å; A225-Y235 WeakPolarHBondContact O-CB 3.46Å; D226-Y235 WeakPolarHBondContact O-CB 3.44Å; V227-Y235 HydrophobicContact CB-CD2 4.33Å; V227-Y235 HydrophobicContact CG1-CE2 4.47Å; V227-Y235 HydrophobicContact CG2-CD2 3.81Å; V227-Y235 HydrophobicContact CG2-CE2 4.33Å; V227-Y235 HydrophobicContact CG2-CG 4.41Å; Q233-Y235 PolarHBondContact O-N 3.04Å
236L96.5Very high92.2Very high29 Ų2960.1 Ų60.115%0.15228%0.284CS..EExtended strand (participates in β ladder)trans-133.7126.3-177.2-172.672000109.3L10 I11 C12 L22 R25 V26 V29 M39L10-L236 HydrophobicContact CB-CD1 4.26Å; I11-L236 CarbonylContact O-C 3.42Å; I11-L236 WeakPolarHBondContact O-CA 3.14Å; C12-L236 HydrophobicContact CB-CD1 3.91Å; L22-L236 HydrophobicContact CD1-CD1 4.28Å; R25-L236 HydrophobicContact CG-CD2 3.82Å; V26-L236 HydrophobicContact CG2-CD2 4.37Å; V29-L236 HydrophobicContact CG2-CD2 4.24Å; M39-L236 HydrophobicContact SD-CD1 4.16Å
237Y96.8Very high91.8Very high48 Ų4861 Ų6119%0.18829%0.288CS..EExtended strand (participates in β ladder)trans-119.5145.2-179.7-160.5-74.2000109.7L10 I11 F192 I222 L224 L239L10-Y237 WeakPolarHBondContact CA-O 3.38Å; I11-Y237 PolarHBondContact N-O 3.22Å; I11-Y237 PolarHBondContact O-N 3.09Å; F192-Y237 HydrophobicContact CE1-CD1 4.05Å; F192-Y237 HydrophobicContact CE1-CD2 4.22Å; F192-Y237 AromaticContact CE1-CG 3.84Å; F192-Y237 HydrophobicContact CE1-CG 3.84Å; F192-Y237 AromaticContact CZ-CD1 3.94Å; F192-Y237 HydrophobicContact CZ-CD1 3.94Å; F192-Y237 HydrophobicContact CZ-CE1 4.31Å; F192-Y237 HydrophobicContact CZ-CG 4.22Å; I222-Y237 HydrophobicContact CD1-CD2 4.25Å; I222-Y237 HydrophobicContact CD1-CE1 4.35Å; I222-Y237 HydrophobicContact CD1-CE2 3.7Å; I222-Y237 HydrophobicContact CG1-CE2 4.43Å; I222-Y237 HydrophobicContact CG2-CD2 4.03Å; I222-Y237 HydrophobicContact CG2-CE2 4.28Å; L224-Y237 HydrophobicContact CD2-CD2 4.43Å; Y237-L239 HydrophobicContact CD1-CD2 4Å; Y237-L239 HydrophobicContact CD1-CG 3.98Å; Y237-L239 HydrophobicContact CE1-CD2 3.62Å; Y237-L239 HydrophobicContact CE1-CG 4.1Å
238A96Very high91.4Very high54 Ų5465.7 Ų65.745%0.44631%0.313SS..EExtended strand (participates in β ladder)trans-120.6134-179.600000110.9L10 F36L10-A238 HydrophobicContact CD2-CB 3.94Å; F36-A238 HydrophobicContact CE1-CB 3.89Å; F36-A238 HydrophobicContact CZ-CB 3.99Å
239L93.8Very high91Very high13 Ų1363.5 Ų63.57%0.06831%0.305CS..EExtended strand (participates in β ladder)trans-125.9148.4-176.6-65160000111K8 I9 I11 L146 Y190 F192 Y237 L241K8-L239 WeakPolarHBondContact CA-O 3.28Å; I9-L239 HydrophobicContact CB-CB 4.45Å; I9-L239 PolarHBondContact N-O 2.85Å; I9-L239 PolarHBondContact O-N 3.05Å; I11-L239 HydrophobicContact CD1-CD1 4.26Å; I11-L239 HydrophobicContact CG1-CD1 3.79Å; L146-L239 HydrophobicContact CD2-CD1 4.22Å; Y190-L239 HydrophobicContact CD1-CD2 3.91Å; Y190-L239 HydrophobicContact CE1-CD2 3.57Å; F192-L239 HydrophobicContact CE2-CD1 3.67Å; F192-L239 HydrophobicContact CZ-CD1 3.81Å; F192-L239 HydrophobicContact CZ-CD2 4.18Å; F192-L239 HydrophobicContact CZ-CG 4.31Å; Y237-L239 HydrophobicContact CD1-CD2 4Å; Y237-L239 HydrophobicContact CD1-CG 3.98Å; Y237-L239 HydrophobicContact CE1-CD2 3.62Å; Y237-L239 HydrophobicContact CE1-CG 4.1Å; L239-L241 HydrophobicContact CB-CD2 4.48Å; L239-L241 HydrophobicContact CB-CG 4.12Å; L239-L241 HydrophobicContact CD1-CD1 4.27Å; L239-L241 HydrophobicContact CD2-CD2 4.4Å
240K93.7Very high90.8Very high118 Ų11867.6 Ų67.651%0.51332%0.323SS..EExtended strand (participates in β ladder)trans-116.7113155.3-170.6173.3-177.21760108.1D3 S6 H7D3-K240 IonicContact OD1-NZ 2.66Å; D3-K240 PolarHBondContact OD1-NZ 2.85Å; S6-K240 VanDerWaalsContact CB-CE 3.47Å; S6-K240 WeakPolarHBondContact OG-CE 3.39Å; S6-K240 PolarHBondContact OG-NZ 2.93Å; H7-K240 CarbonylContact O-C 3.49Å; H7-K240 WeakPolarHBondContact O-CA 3.28Å
241L91.5Very high90.7Very high1 Ų162.9 Ų62.91%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-120.9127.7-176.7-62.3-174000111.5S6 H7 I9 L108 L146 Y190 L239S6-L241 CarbonylContact C-O 3.53Å; S6-L241 WeakPolarHBondContact CA-O 3.39Å; H7-L241 PolarHBondContact N-O 3.05Å; H7-L241 PolarHBondContact O-N 3.06Å; I9-L241 HydrophobicContact CD1-CD1 4.36Å; L108-L241 HydrophobicContact CD1-CB 4.35Å; L108-L241 HydrophobicContact CD1-CD1 4.28Å; L146-L241 HydrophobicContact CD2-CD1 3.76Å; L146-L241 HydrophobicContact CG-CD1 4.32Å; Y190-L241 HydrophobicContact CD2-CD1 4.39Å; Y190-L241 HydrophobicContact CD2-CD2 4.01Å; Y190-L241 HydrophobicContact CE2-CD2 3.39Å; L239-L241 HydrophobicContact CB-CD2 4.48Å; L239-L241 HydrophobicContact CB-CG 4.12Å; L239-L241 HydrophobicContact CD1-CD1 4.27Å; L239-L241 HydrophobicContact CD2-CD2 4.4Å
242I91.4Very high90.6Very high41 Ų4156.4 Ų56.421%0.2128%0.28CS..  trans-83.3136154.9-61.5169.3000106.6M1 R189 K246 M247M1-I242 HydrophobicContact CE-CD1 4.39Å; R189-I242 PolarHBondContact NH1-O 2.85Å; I242-K246 HydrophobicContact CG2-CB 3.87Å; I242-K246 WeakPolarHBondContact CG2-O 3.19Å; I242-M247 HydrophobicContact CB-CG 3.94Å; I242-M247 HydrophobicContact CG2-CG 3.95Å
243P88.9Confident90.6Very high1 Ų150.4 Ų50.41%0.00625%0.248CC..  trans-55.6149.1175.1-27.936.8000113.4L5 L108 D245 K246 M247L5-P243 WeakPolarHBondContact O-CD 3.27Å; L108-P243 HydrophobicContact CB-CG 4.21Å; P243-D245 VanDerWaalsContact C-N 3.27Å; P243-D245 WeakPolarHBondContact CB-OD1 3.34Å; P243-D245 PolarHBondContact O-N 3.4Å; P243-K246 HydrophobicContact CB-CB 4.41Å; P243-K246 HydrophobicContact CB-CD 4.41Å; P243-K246 HydrophobicContact CG-CD 4.35Å; P243-K246 CarbonylContact O-C 3.56Å; P243-K246 WeakPolarHBondContact O-CA 3.16Å; P243-K246 PolarHBondContact O-N 2.69Å; P243-M247 PolarHBondContact O-N 2.75Å; P243-M247 VanDerWaalsContact O-N 3.11Å
244I87.6Confident90.5Very high1 Ų152.3 Ų52.31%0.00526%0.26CS..THydrogen-bonded Turntrans-60.9-31.8-172-171168.2000113.9L142 D145 R189 K246 L252L142-I244 HydrophobicContact CB-CD1 3.85Å; L142-I244 HydrophobicContact CB-CG1 3.96Å; L142-I244 HydrophobicContact CD1-CG1 4.49Å; L142-I244 VanDerWaalsContact O-CD1 3.23Å; L142-I244 WeakPolarHBondContact O-CD1 3.29Å; D145-I244 WeakPolarHBondContact OD1-CB 3.42Å; D145-I244 PolarHBondContact OD1-N 3.4Å; D145-I244 PolarHBondContact OD2-N 2.71Å; R189-I244 HydrophobicContact CG-CD1 3.96Å; R189-I244 HydrophobicContact CG-CG1 4.49Å; I244-K246 VanDerWaalsContact C-N 3.26Å; I244-K246 PolarHBondContact O-N 2.72Å; I244-L252 HydrophobicContact CD1-CD1 4.33Å; I244-L252 HydrophobicContact CG1-CD1 3.91Å; I244-L252 HydrophobicContact CG1-CD2 4Å
245D81.2Confident90.4Very high42 Ų4250.7 Ų50.723%0.22525%0.254CS..THydrogen-bonded Turntrans-81.3-3.9177.171.9-35.1000113.7P243 H345P243-D245 VanDerWaalsContact C-N 3.27Å; P243-D245 WeakPolarHBondContact CB-OD1 3.34Å; P243-D245 PolarHBondContact O-N 3.4Å; D245-H345 IonicContact OD2-CE1 3.5Å; D245-H345 IonicContact OD2-CG 3.5Å; D245-H345 IonicContact OD2-ND1 2.68Å; D245-H345 PolarHBondContact OD2-ND1 3.49Å
246K85.1Confident90.1Very high54 Ų5449.8 Ų49.824%0.23525%0.253CS..THydrogen-bonded Turntrans-121.50.3-178.2-72174172.6-174.20113.5L5 S106 I242 P243 I244 G353L5-K246 HydrophobicContact CD2-CD 4.23Å; S106-K246 WeakPolarHBondContact O-CE 3.35Å; S106-K246 PolarHBondContact O-NZ 3.43Å; I242-K246 HydrophobicContact CG2-CB 3.87Å; I242-K246 WeakPolarHBondContact CG2-O 3.19Å; P243-K246 HydrophobicContact CB-CB 4.41Å; P243-K246 HydrophobicContact CB-CD 4.41Å; P243-K246 HydrophobicContact CG-CD 4.35Å; P243-K246 CarbonylContact O-C 3.56Å; P243-K246 WeakPolarHBondContact O-CA 3.16Å; P243-K246 PolarHBondContact O-N 2.69Å; I244-K246 VanDerWaalsContact C-N 3.26Å; I244-K246 PolarHBondContact O-N 2.72Å; K246-G353 PolarHBondContact NZ-O 2.77Å
247M87.6Confident89.9Confident43 Ų4355.1 Ų55.121%0.21229%0.289CS..SBendtrans-77.1149.8169.3-79.8-165.966.200111.3R189 I242 P243 D251 L252R189-M247 PolarHBondContact NH2-SD 2.92Å; I242-M247 HydrophobicContact CB-CG 3.94Å; I242-M247 HydrophobicContact CG2-CG 3.95Å; P243-M247 PolarHBondContact O-N 2.75Å; P243-M247 VanDerWaalsContact O-N 3.11Å; M247-D251 HydrophobicContact CE-CB 3.66Å; M247-L252 HydrophobicContact CB-CB 4.38Å; M247-L252 HydrophobicContact CE-CB 4.46Å; M247-L252 HydrophobicContact SD-CD1 4.11Å
248D86.6Confident89.6Confident100 Ų10056.4 Ų56.454%0.53530%0.299SS..  trans-64.2143.4165-177.481.2000110.5Q250 D251 L252D248-Q250 VanDerWaalsContact C-N 3.31Å; D248-Q250 PolarHBondContact O-N 3.29Å; D248-Q250 WeakPolarHBondContact OD2-CA 3.01Å; D248-Q250 WeakPolarHBondContact OD2-CB 3.26Å; D248-Q250 PolarHBondContact OD2-N 3.34Å; D248-D251 HydrophobicContact CB-CB 4.37Å; D248-D251 PolarHBondContact O-N 3.28Å; D248-L252 WeakPolarHBondContact O-CB 3.23Å; D248-L252 PolarHBondContact O-N 2.75Å
249H84.5Confident89.5Confident92 Ų9255 Ų5543%0.42629%0.285SS..Hα-helixtrans-61.8-37.9-176.9-175.8-88.2000112.1K214 L252 I253K214-H249 WeakPolarHBondContact CE-NE2 3.42Å; K214-H249 PolarHBondContact NZ-NE2 3.3Å; H249-L252 PolarHBondContact O-N 3.4Å; H249-I253 VanDerWaalsContact CE1-CD1 3.41Å; H249-I253 WeakPolarHBondContact CE1-CD1 3.46Å; H249-I253 VanDerWaalsContact CE1-CG2 3.45Å; H249-I253 WeakPolarHBondContact CE1-CG2 3.34Å; H249-I253 WeakPolarHBondContact O-CG1 3.1Å; H249-I253 WeakPolarHBondContact O-CG2 3.46Å; H249-I253 PolarHBondContact O-N 3.38Å
250Q88.4Confident89.5Confident105 Ų10555.2 Ų55.249%0.49129%0.287SS..Hα-helixtrans-67.6-45.5178.5-17258.957.700111D248 L252 I253 N254D248-Q250 VanDerWaalsContact C-N 3.31Å; D248-Q250 PolarHBondContact O-N 3.29Å; D248-Q250 WeakPolarHBondContact OD2-CA 3.01Å; D248-Q250 WeakPolarHBondContact OD2-CB 3.26Å; D248-Q250 PolarHBondContact OD2-N 3.34Å; Q250-L252 VanDerWaalsContact C-N 3.26Å; Q250-L252 PolarHBondContact O-N 3.2Å; Q250-I253 WeakPolarHBondContact O-CG1 3.44Å; Q250-I253 PolarHBondContact O-N 3.09Å; Q250-N254 PolarHBondContact NE2-OD1 3.1Å; Q250-N254 PolarHBondContact O-N 2.91Å; Q250-N254 VanDerWaalsContact O-N 3.09Å; Q250-N254 PolarHBondContact O-ND2 3.16Å; Q250-N254 PolarHBondContact O-OD1 3.45Å
251D89.5Confident89.5Confident90 Ų9052.3 Ų52.348%0.48128%0.275SS..Hα-helixtrans-63.3-31.9174.8-85.7-18000112.6M247 D248M247-D251 HydrophobicContact CE-CB 3.66Å; D248-D251 HydrophobicContact CB-CB 4.37Å; D248-D251 PolarHBondContact O-N 3.28Å
252L88.2Confident89.5Confident12 Ų1252.7 Ų52.76%0.06328%0.277CS..Hα-helixtrans-73.7-37.6178.7-174.261.5000112.5L142 H217 I244 M247 D248 H249 Q250L142-L252 HydrophobicContact CD1-CD2 4.45Å; H217-L252 WeakPolarHBondContact CA-O 3.49Å; H217-L252 HydrophobicContact CB-CD1 3.67Å; H217-L252 HydrophobicContact CB-CG 4.04Å; H217-L252 WeakPolarHBondContact CB-O 3.16Å; I244-L252 HydrophobicContact CD1-CD1 4.33Å; I244-L252 HydrophobicContact CG1-CD1 3.91Å; I244-L252 HydrophobicContact CG1-CD2 4Å; M247-L252 HydrophobicContact CB-CB 4.38Å; M247-L252 HydrophobicContact CE-CB 4.46Å; M247-L252 HydrophobicContact SD-CD1 4.11Å; D248-L252 WeakPolarHBondContact O-CB 3.23Å; D248-L252 PolarHBondContact O-N 2.75Å; H249-L252 PolarHBondContact O-N 3.4Å; Q250-L252 VanDerWaalsContact C-N 3.26Å; Q250-L252 PolarHBondContact O-N 3.2Å
253I91.7Very high89.7Confident26 Ų2650.9 Ų50.913%0.13327%0.268CS..Hα-helixtrans-85.1-10.9178.169.7177.5000114.3A215 H249 Q250 Q255A215-I253 HydrophobicContact CB-CB 4.39Å; A215-I253 HydrophobicContact CB-CG2 4.32Å; A215-I253 WeakPolarHBondContact O-CG2 3.45Å; H249-I253 VanDerWaalsContact CE1-CD1 3.41Å; H249-I253 WeakPolarHBondContact CE1-CD1 3.46Å; H249-I253 VanDerWaalsContact CE1-CG2 3.45Å; H249-I253 WeakPolarHBondContact CE1-CG2 3.34Å; H249-I253 WeakPolarHBondContact O-CG1 3.1Å; H249-I253 WeakPolarHBondContact O-CG2 3.46Å; H249-I253 PolarHBondContact O-N 3.38Å; Q250-I253 WeakPolarHBondContact O-CG1 3.44Å; Q250-I253 PolarHBondContact O-N 3.09Å; I253-Q255 WeakPolarHBondContact O-CG 3.36Å; I253-Q255 PolarHBondContact O-N 3.14Å
254N91.6Very high89.8Confident82 Ų8250.8 Ų50.844%0.43927%0.268SS..  trans-60.7126.4179.9-80.9-22.6000111.4Q250Q250-N254 PolarHBondContact NE2-OD1 3.1Å; Q250-N254 PolarHBondContact O-N 2.91Å; Q250-N254 VanDerWaalsContact O-N 3.09Å; Q250-N254 PolarHBondContact O-ND2 3.16Å; Q250-N254 PolarHBondContact O-OD1 3.45Å
255Q90.9Very high89.7Confident72 Ų7252.3 Ų52.334%0.33627%0.273SS..  trans-111.1139.1-172-46.7-175.48.400111.1R206 H208 T218 I253 V259R206-Q255 VanDerWaalsContact CZ-OE1 3.27Å; H208-Q255 PolarHBondContact CE1-NE2 3.08Å; H208-Q255 PolarHBondContact NE2-NE2 2.96Å; T218-Q255 HydrophobicContact CG2-CB 4.27Å; T218-Q255 HydrophobicContact CG2-CG 4.17Å; I253-Q255 WeakPolarHBondContact O-CG 3.36Å; I253-Q255 PolarHBondContact O-N 3.14Å; Q255-V259 HydrophobicContact CB-CG1 4.15Å
256P91.1Very high89.5Confident22 Ų2255.4 Ų55.414%0.14329%0.286CS..  trans-73.7156.9173.232-32.9000111.2P204 D258 V259P204-P256 HydrophobicContact CB-CG 3.95Å; P204-P256 HydrophobicContact CG-CG 3.77Å; P256-D258 VanDerWaalsContact C-N 3.26Å; P256-D258 PolarHBondContact O-N 3.41Å; P256-V259 HydrophobicContact CG-CB 4.27Å; P256-V259 VanDerWaalsContact O-CB 3.29Å; P256-V259 WeakPolarHBondContact O-CB 3.29Å; P256-V259 WeakPolarHBondContact O-CG1 3.38Å; P256-V259 PolarHBondContact O-N 3.46Å
257P90.7Very high88.7Confident141 Ų14155.3 Ų55.392%0.91629%0.286SS*.THydrogen-bonded Turntrans-69.4-19.4-172.628.5-36.3000114.4
258D92.1Very high87.6Confident75 Ų7554.5 Ų54.540%0.40128%0.284SS..THydrogen-bonded Turntrans-93.612.4177.670-45000113.4S203 P204 P256S203-D258 VanDerWaalsContact CA-OD2 3.27Å; S203-D258 WeakPolarHBondContact CA-OD2 3.33Å; S203-D258 WeakPolarHBondContact CB-OD2 3.4Å; S203-D258 PolarHBondContact OG-OD2 3.5Å; P204-D258 WeakPolarHBondContact CD-OD2 3.1Å; P256-D258 VanDerWaalsContact C-N 3.26Å; P256-D258 PolarHBondContact O-N 3.41Å
259V93.2Very high86.1Confident24 Ų2451.9 Ų51.915%0.14527%0.27CS..  trans-62.5137.6-177.266.70000113P204 R206 T218 Q255 P256P204-V259 WeakPolarHBondContact O-CA 3.38Å; R206-V259 HydrophobicContact CG-CG2 3.74Å; T218-V259 HydrophobicContact CG2-CG2 3.56Å; Q255-V259 HydrophobicContact CB-CG1 4.15Å; P256-V259 HydrophobicContact CG-CB 4.27Å; P256-V259 VanDerWaalsContact O-CB 3.29Å; P256-V259 WeakPolarHBondContact O-CB 3.29Å; P256-V259 WeakPolarHBondContact O-CG1 3.38Å; P256-V259 PolarHBondContact O-N 3.46Å
260T94Very high84.1Confident17 Ų1754.2 Ų54.210%0.10428%0.28CS..BIsolated β-bridgetrans-112165-178.356.20000111.4L159 R202 P204 Y205 R206L159-T260 WeakPolarHBondContact O-CG2 3.43Å; R202-T260 PolarHBondContact NH1-OG1 3.23Å; R202-T260 PolarHBondContact NH2-OG1 3.28Å; P204-T260 PolarHBondContact O-N 2.89Å; P204-T260 PolarHBondContact O-OG1 3.36Å; Y205-T260 CarbonylContact C-O 3.6Å; Y205-T260 VanDerWaalsContact CA-O 3.28Å; Y205-T260 WeakPolarHBondContact CA-O 3.31Å; R206-T260 PolarHBondContact N-O 3Å
261E93.2Very high81.9Confident58 Ų5856.8 Ų56.827%0.27129%0.29SS..  trans-71.1161.3166.1-68.2-52.912700111.5L159 R206 V210 P263 R265L159-E261 HydrophobicContact CD1-CB 3.96Å; R206-E261 WeakPolarHBondContact CD-OE1 3.46Å; R206-E261 IonicContact CZ-OE1 2.66Å; R206-E261 IonicContact NE-OE1 3.73Å; R206-E261 IonicContact NH1-OE1 2.73Å; R206-E261 PolarHBondContact NH1-OE1 3.19Å; V210-E261 WeakPolarHBondContact CG2-OE1 3.35Å; E261-P263 WeakPolarHBondContact O-CD 3.22Å; E261-R265 IonicContact OE2-CZ 3.14Å; E261-R265 IonicContact OE2-NH1 3.93Å; E261-R265 PolarHBondContact OE2-NH1 3.08Å; E261-R265 IonicContact OE2-NH2 3.99Å; E261-R265 PolarHBondContact OE2-NH2 2.83Å
262N93.1Very high79.2Confident8 Ų860.4 Ų60.44%0.04330%0.303CS..  trans-63.7120.4-178.5-165.9-66.1000111.3Y205 R206 Y264 R265Y205-N262 HydrophobicContact CD2-CB 4.32Å; Y205-N262 WeakPolarHBondContact CD2-ND2 3.28Å; Y205-N262 WeakPolarHBondContact CE2-ND2 3.4Å; R206-N262 WeakPolarHBondContact O-CB 3.38Å; R206-N262 PolarHBondContact O-ND2 2.82Å; N262-Y264 PolarHBondContact O-N 2.75Å; N262-Y264 WeakPolarHBondContact OD1-CB 3.49Å; N262-Y264 PolarHBondContact OD1-N 3.03Å; N262-R265 HydrophobicContact CB-CG 4.07Å
263P94Very high76.5Confident3 Ų362.7 Ų62.72%0.01932%0.321CS..THydrogen-bonded Turntrans-71.5-8.5-176.528-34.2000114.5K158 Y205 E261K158-P263 HydrophobicContact CB-CB 3.86Å; Y205-P263 HydrophobicContact CD1-CG 4.28Å; Y205-P263 HydrophobicContact CG-CG 4.48Å; E261-P263 WeakPolarHBondContact O-CD 3.22Å
264Y91.9Very high73.6Confident0 Ų069.2 Ų69.20%036%0.355CS..THydrogen-bonded Turntrans-105.6-16.7-170.9-46.8-43.8000115.3P153 K154 S180 A183 Y205 N262 E266 F267 V268P153-Y264 HydrophobicContact CB-CE1 3.88Å; P153-Y264 HydrophobicContact CB-CE2 4.44Å; P153-Y264 WeakPolarHBondContact CB-OH 3.5Å; P153-Y264 WeakPolarHBondContact CG-OH 3.46Å; K154-Y264 WeakPolarHBondContact O-CE1 3.38Å; S180-Y264 WeakPolarHBondContact O-CD2 3.08Å; A183-Y264 HydrophobicContact CB-CD2 4.1Å; A183-Y264 HydrophobicContact CB-CE2 3.64Å; Y205-Y264 HydrophobicContact CE1-CE2 4.32Å; Y205-Y264 HydrophobicContact CE2-CE2 4.37Å; Y205-Y264 AromaticContact CZ-CE2 3.79Å; Y205-Y264 WeakPolarHBondContact OH-CE2 3Å; N262-Y264 PolarHBondContact O-N 2.75Å; N262-Y264 WeakPolarHBondContact OD1-CB 3.49Å; N262-Y264 PolarHBondContact OD1-N 3.03Å; Y264-E266 PolarHBondContact O-N 3.07Å; Y264-F267 WeakPolarHBondContact O-CB 3.41Å; Y264-F267 PolarHBondContact O-N 3.27Å; Y264-V268 PolarHBondContact O-N 2.68Å
265R86.2Confident70.7Confident33 Ų3372.7 Ų72.713%0.12537%0.374CS..Hα-helixtrans-44.1-54.8-174.5-82173.5-170.2147.712.1113.8Y184 H208 E261 N262 F267 V268 D269Y184-R265 HydrophobicContact CD2-CG 4.47Å; Y184-R265 HydrophobicContact CE2-CB 4.33Å; Y184-R265 HydrophobicContact CE2-CG 3.51Å; H208-R265 PolarHBondContact O-NH2 2.87Å; E261-R265 IonicContact OE2-CZ 3.14Å; E261-R265 IonicContact OE2-NH1 3.93Å; E261-R265 PolarHBondContact OE2-NH1 3.08Å; E261-R265 IonicContact OE2-NH2 3.99Å; E261-R265 PolarHBondContact OE2-NH2 2.83Å; N262-R265 HydrophobicContact CB-CG 4.07Å; R265-F267 PolarHBondContact O-N 2.75Å; R265-F267 VanDerWaalsContact O-N 3.07Å; R265-V268 PolarHBondContact O-N 3.05Å; R265-D269 PolarHBondContact O-N 2.8Å
266E76.7Confident67.8Low106 Ų10679.9 Ų79.950%0.49540%0.398SS..Hα-helixtrans-52.7-32.6-179.4-59.7172.5156.800112.6K158 Y264 H270K158-E266 IonicContact NZ-OE2 2.87Å; K158-E266 PolarHBondContact NZ-OE2 2.84Å; Y264-E266 PolarHBondContact O-N 3.07Å; E266-H270 PolarHBondContact O-CD2 2.88Å
267F67.2Low64.7Low53 Ų5387.8 Ų87.823%0.23243%0.432CS..Hα-helixtrans-90.1-6.5-175.3-57.3-73.8000114.6H155 K158 I177 Y264 R265H155-F267 HydrophobicContact CB-CE2 3.87Å; H155-F267 HydrophobicContact CB-CZ 4.34Å; H155-F267 AromaticContact CD2-CD2 3.97Å; H155-F267 AromaticContact CD2-CE1 3.57Å; H155-F267 AromaticContact CD2-CE2 3.28Å; H155-F267 WeakPolarHBondContact CD2-CE2 3.41Å; H155-F267 AromaticContact CD2-CZ 3.03Å; H155-F267 WeakPolarHBondContact CD2-CZ 3.48Å; H155-F267 AromaticContact CG-CE2 3.66Å; H155-F267 AromaticContact CG-CZ 3.64Å; H155-F267 AromaticContact NE2-CE1 3.65Å; H155-F267 AromaticContact NE2-CZ 3.4Å; H155-F267 WeakPolarHBondContact NE2-CZ 3.27Å; K158-F267 HydrophobicContact CD-CE2 4.05Å; K158-F267 HydrophobicContact CD-CZ 4.47Å; K158-F267 VanDerWaalsContact NZ-CE2 3.34Å; I177-F267 HydrophobicContact CD1-CB 4.5Å; Y264-F267 WeakPolarHBondContact O-CB 3.41Å; Y264-F267 PolarHBondContact O-N 3.27Å; R265-F267 PolarHBondContact O-N 2.75Å; R265-F267 VanDerWaalsContact O-N 3.07Å
268V64.8Low61.6Low26 Ų2686.6 Ų86.616%0.15842%0.423CS..Hα-helixtrans-111.8-44.9177.4-165.50000111.1R181 Y184 Y264 R265 H270 K271R181-V268 HydrophobicContact CG-CG2 4.01Å; Y184-V268 HydrophobicContact CD1-CB 3.65Å; Y184-V268 HydrophobicContact CD1-CG1 3.67Å; Y184-V268 HydrophobicContact CD1-CG2 3.59Å; Y184-V268 HydrophobicContact CE1-CB 3.71Å; Y184-V268 HydrophobicContact CE1-CG1 3.82Å; Y184-V268 HydrophobicContact CE1-CG2 4.13Å; Y184-V268 HydrophobicContact CG-CB 4.37Å; Y184-V268 HydrophobicContact CG-CG2 3.86Å; Y264-V268 PolarHBondContact O-N 2.68Å; R265-V268 PolarHBondContact O-N 3.05Å; V268-H270 VanDerWaalsContact C-N 3.26Å; V268-H270 PolarHBondContact O-N 3.07Å; V268-K271 PolarHBondContact O-N 3.32Å
269D55.8Low58.5Low45 Ų4590.7 Ų90.724%0.24144%0.44CS..Hα-helixtrans-61.8-32.8-175.5-65-7.2000112.1Y184 R209 R265 K271 H272 S273Y184-D269 PolarHBondContact OH-OD1 2.77Å; R209-D269 IonicContact CZ-OD2 2.57Å; R209-D269 IonicContact NH2-OD2 3.82Å; R209-D269 PolarHBondContact NH2-OD2 3.42Å; R265-D269 PolarHBondContact O-N 2.8Å; D269-K271 PolarHBondContact O-N 3.06Å; D269-H272 PolarHBondContact O-N 2.97Å; D269-S273 PolarHBondContact O-N 3.18Å
270H42.8Very low55.4Low140 Ų14095.3 Ų95.365%0.64847%0.468SS*.THydrogen-bonded Turntrans-6811.1-178.3-72.5-26.9000116.9E266 V268E266-H270 PolarHBondContact O-CD2 2.88Å; V268-H270 VanDerWaalsContact C-N 3.26Å; V268-H270 PolarHBondContact O-N 3.07Å
271K40.4Very low52.1Low160 Ų160101.5 Ų101.570%0.69650%0.495SS*.THydrogen-bonded Turntrans-115.4-3.1164.1-78.7-158.5175.2-170.90115.2V268 D269V268-K271 PolarHBondContact O-N 3.32Å; D269-K271 PolarHBondContact O-N 3.06Å
272H34.7Very low49.1Very low165 Ų165103.8 Ų103.876%0.76451%0.513SS*.THydrogen-bonded Turntrans-119.3-7.8174.1-83.4-68.2000114.3D269 L274D269-H272 PolarHBondContact O-N 2.97Å; H272-L274 VanDerWaalsContact C-N 3.29Å; H272-L274 PolarHBondContact O-N 3.28Å
273S30.8Very low46Very low61 Ų61110.4 Ų110.443%0.42754%0.544SS..THydrogen-bonded Turntrans-79.29.1-173.263.60000116.4D269D269-S273 PolarHBondContact O-N 3.18Å
274L30.3Very low43Very low163 Ų163117 Ų11785%0.85358%0.575SS**THydrogen-bonded Turntrans-97.4-15.1-177-87.6165.7000115.3H272H272-L274 VanDerWaalsContact C-N 3.29Å; H272-L274 PolarHBondContact O-N 3.28Å
275D29.9Very low40.1Very low155 Ų155125 Ų12583%0.82961%0.606SS**SBendtrans-119.84.2-173.5-74.6-60000114.5
276R30.3Very low37.6Very low223 Ų223131.7 Ų131.784%0.84264%0.637SS**  trans-139.232.2-176.3-71.5-164.9176.9176.61.9116.1T278R276-T278 VanDerWaalsContact C-N 3.27Å; R276-T278 PolarHBondContact O-N 3.08Å; R276-T278 VanDerWaalsContact O-N 3.13Å
277E26.5Very low35.3Very low187 Ų187137 Ų13787%0.87465%0.653SS**  trans-79.979.2156.5-71.5-166.1159.900110.2
278T26.7Very low33.7Very low117 Ų117141.8 Ų141.872%0.71868%0.682SS**  trans-107.1108.1158.345.10000108.7R276 V280R276-T278 VanDerWaalsContact C-N 3.27Å; R276-T278 PolarHBondContact O-N 3.08Å; R276-T278 VanDerWaalsContact O-N 3.13Å; T278-V280 PolarHBondContact O-N 3.03Å
279E26.2Very low32Very low160 Ų160148.1 Ų148.175%0.74871%0.712SS**  trans-58.8103.5167.4-67.9-167.9136.100109.7Q281E279-Q281 HydrophobicContact CB-CG 4.06Å; E279-Q281 PolarHBondContact O-N 2.75Å; E279-Q281 VanDerWaalsContact O-N 3.08Å; E279-Q281 PolarHBondContact OE2-NE2 2.74Å
280V27.4Very low31.2Very low122 Ų122152.8 Ų152.874%0.73974%0.737SS**  trans-80.880.9158.5-175.90000106.6T278 T282T278-V280 PolarHBondContact O-N 3.03Å; V280-T282 VanDerWaalsContact C-N 3.35Å; V280-T282 HydrophobicContact CG1-CG2 4.42Å; V280-T282 PolarHBondContact O-N 3.49Å
281Q25.5Very low31Very low146 Ų146151.3 Ų151.368%0.68274%0.737SS**  trans-61.799.4167.8-63.5-171.96.600107.8E279 E283E279-Q281 HydrophobicContact CB-CG 4.06Å; E279-Q281 PolarHBondContact O-N 2.75Å; E279-Q281 VanDerWaalsContact O-N 3.08Å; E279-Q281 PolarHBondContact OE2-NE2 2.74Å; Q281-E283 PolarHBondContact O-N 2.85Å
282T29.4Very low30.9Very low106 Ų106152.6 Ų152.665%0.6574%0.743SS**  trans-71.1115.2170.839.40000108.1V280 Q284V280-T282 VanDerWaalsContact C-N 3.35Å; V280-T282 HydrophobicContact CG1-CG2 4.42Å; V280-T282 PolarHBondContact O-N 3.49Å; T282-Q284 PolarHBondContact O-N 2.91Å
283E28.9Very low31Very low147 Ų147152.4 Ų152.469%0.68774%0.742SS**  trans-65.982.4175.9-66.2-170.8157.800110.5Q281 Y285Q281-E283 PolarHBondContact O-N 2.85Å; E283-Y285 HydrophobicContact CB-CD2 4.1Å; E283-Y285 HydrophobicContact CB-CE2 3.56Å; E283-Y285 HydrophobicContact CG-CE2 4.47Å; E283-Y285 WeakPolarHBondContact O-CD2 3.18Å; E283-Y285 PolarHBondContact O-N 3.18Å; E283-Y285 VanDerWaalsContact O-N 3.13Å; E283-Y285 VanDerWaalsContact OE2-CE2 3.27Å; E283-Y285 WeakPolarHBondContact OE2-CE2 3.41Å; E283-Y285 VanDerWaalsContact OE2-CZ 3.29Å; E283-Y285 PolarHBondContact OE2-OH 2.71Å
284Q31.1Very low31.4Very low143 Ų143158.1 Ų158.167%0.66876%0.759SS**  trans-74.399.1167.1-71.3-169.1-30.500108.4T282 F286T282-Q284 PolarHBondContact O-N 2.91Å; Q284-F286 HydrophobicContact CB-CD2 3.93Å; Q284-F286 HydrophobicContact CB-CE2 3.98Å; Q284-F286 PolarHBondContact O-N 3.24Å
285Y30.7Very low31.8Very low166 Ų166156.5 Ų156.565%0.65176%0.759SS**  trans-67.172.4177.8-77.8-95.2000112.2E283 Y287E283-Y285 HydrophobicContact CB-CD2 4.1Å; E283-Y285 HydrophobicContact CB-CE2 3.56Å; E283-Y285 HydrophobicContact CG-CE2 4.47Å; E283-Y285 WeakPolarHBondContact O-CD2 3.18Å; E283-Y285 PolarHBondContact O-N 3.18Å; E283-Y285 VanDerWaalsContact O-N 3.13Å; E283-Y285 VanDerWaalsContact OE2-CE2 3.27Å; E283-Y285 WeakPolarHBondContact OE2-CE2 3.41Å; E283-Y285 VanDerWaalsContact OE2-CZ 3.29Å; E283-Y285 PolarHBondContact OE2-OH 2.71Å; Y285-Y287 PolarHBondContact O-N 2.78Å
286F33Very low32.3Very low175 Ų175152.3 Ų152.377%0.76875%0.752SS**  trans-70.588.2170.6-86.9-81.4000110.7Q284 N288Q284-F286 HydrophobicContact CB-CD2 3.93Å; Q284-F286 HydrophobicContact CB-CE2 3.98Å; Q284-F286 PolarHBondContact O-N 3.24Å; F286-N288 PolarHBondContact O-N 3.35Å; F286-N288 VanDerWaalsContact O-N 3.11Å
287Y28.9Very low32.7Very low216 Ų216148 Ų14885%0.84775%0.751SS**  trans-64.6105.7163.1-83-93000110Y285Y285-Y287 PolarHBondContact O-N 2.78Å
288N32.7Very low33.4Very low155 Ų155145.6 Ų145.683%0.82975%0.748SS**  trans-144146.1157.3-145-19.1000113.1F286F286-N288 PolarHBondContact O-N 3.35Å; F286-N288 VanDerWaalsContact O-N 3.11Å
289M30.8Very low34Very low159 Ų159144.2 Ų144.278%0.78375%0.749SS**  trans-71.9142.6-169-66.2-79.4176.700112.5
290N38.7Very low34.6Very low143 Ų143145.6 Ų145.677%0.76575%0.753SS**  179.2151.7105.2-98-63000116.8
291T37.4Very low35.2Very low108 Ų108148.5 Ų148.566%0.66376%0.755SS**  trans66.8106.9151.347.90000123.6
292K39.2Very low36Very low188 Ų188147 Ų14782%0.81775%0.752SS**  82.5103.4126.8-64.6175.3-179.6176.90122
293E36Very low36.5Very low161 Ų161146.5 Ų146.575%0.75275%0.749SS**  36.3125.9115.4-84.8178.5-119.900119.2
294K40.6Very low37.1Very low180 Ų180147.2 Ų147.278%0.78375%0.752SS**  cis-161172.743.2-109.2165.5-153.6-175.30114
295P38.9Very low37.6Very low129 Ų129147.8 Ų147.884%0.83875%0.754SS**  trans-121.1169.3-16043.5-34.5000118.2
296G39.6Very low38.1Very low67 Ų67146.7 Ų146.769%0.69175%0.753SS**  trans157.3147.8162.600000112.8
297T38.6Very low38.4Very low133 Ų133149 Ų14982%0.81676%0.757SS**  cis-160129.6-7.229.80000112.2
298V40.8Very low38.9Very low136 Ų136146.8 Ų146.882%0.82475%0.752SS**  trans65.7136.1134.8179.20000121.9
299A39.4Very low39.4Very low88 Ų88145.8 Ų145.873%0.72775%0.745SS**  trans86.9147.715700000119.9
300K39.9Very low39.7Very low190 Ų190143.6 Ų143.683%0.82674%0.736SS**  cis177.8165.9-34.9-119.2178.9178.9179.20108.2
301K39.3Very low39.6Very low183 Ų183142.2 Ų142.280%0.79673%0.733SS**  trans75.4144.9164.4-65.7-148.6168.5-168.70117.5
302D41.7Very low39.6Very low115 Ų115143.3 Ų143.362%0.61574%0.735SS**  cis-157.4169.6-19.6-128.8-54.7000113.7
303T39.9Very low39.6Very low95 Ų95139.4 Ų139.458%0.58373%0.727SS**  trans-25168.2162.443.80000120.7
304H42.8Very low39.6Very low161 Ų161139.3 Ų139.375%0.74572%0.724SS**  cis-155.3-179.46.4-117.7-41.5000108K306H304-K306 WeakPolarHBondContact CE1-CE 3.24Å
305Q41.5Very low39.4Very low155 Ų155137.6 Ų137.672%0.72472%0.719SS**  cis-133.8173.111.1-89.3-155.695.900109.5
306K40.5Very low39.4Very low143 Ų143137.9 Ų137.962%0.62271%0.714SS**  cis91.6101.123.3-90.5-174-179.8176.70118.5H304H304-K306 WeakPolarHBondContact CE1-CE 3.24Å
307R39.1Very low39.2Very low224 Ų224140.1 Ų140.185%0.84571%0.714SS**  trans166.6142.9131-91.9166-173.6-147.22.3110.2
308K40.7Very low39.2Very low170 Ų170140.8 Ų140.874%0.73971%0.713SS**  cis-171.3138.8-17.3-125.3-166.7176.1-163.40110.1
309I42.7Very low39.1Very low133 Ų133139 Ų13968%0.68270%0.699SS**  trans51.7135.7133.1-67.9175000119
310N37.6Very low39.2Very low114 Ų114143.1 Ų143.161%0.6171%0.706SS**  cis-145.6174.97.3-128.519.6000108.5
311T35Very low39Very low113 Ų113141.1 Ų141.169%0.69370%0.698SS**  cis74.2119.311.936.60000120.2
312N38.1Very low38.7Very low132 Ų132143.8 Ų143.871%0.70670%0.703SS**  trans166.8116.9142.4-95.123.4000112.3
313T39Very low38.3Very low106 Ų106147.5 Ų147.565%0.6572%0.716SS**  71.514510665.70000117
314F36.4Very low38.1Very low159 Ų159150.1 Ų150.170%0.69773%0.726SS**  cis-161.9139.5-0.5-118.2-153.1000106.8
315E35.1Very low37.7Very low144 Ų144148.3 Ų148.367%0.67373%0.726SS**  81.1155.599-65.6-172.6173.200117.4
316D39.1Very low37.2Very low135 Ų135148 Ų14872%0.72273%0.729SS**  trans78.2104.6163.5-67-8.6000124.6
317T36.5Very low36.7Very low114 Ų114149.5 Ų149.570%0.69974%0.736SS**  44.1147.9119.264.70000122
318D37.3Very low36.3Very low147 Ų147146.2 Ų146.279%0.78674%0.735SS**  cis-161.3171.9-2.1-128.3-37.9000112.6
319D39.1Very low35.7Very low99 Ų99145.6 Ų145.653%0.52974%0.74SS.*  trans44.5109.6151.2-137.8-5.7000121.5K321D319-K321 WeakPolarHBondContact OD1-CG 3.39Å; D319-K321 IonicContact OD1-NZ 3.59Å; D319-K321 PolarHBondContact OD1-NZ 2.68Å; D319-K321 IonicContact OD2-NZ 2.95Å; D319-K321 PolarHBondContact OD2-NZ 3.44Å
320I41.2Very low35.2Very low174 Ų174146.4 Ų146.489%0.89275%0.751SS**  trans-150.3134.2131.2-103.3155.8000108.8
321K37.3Very low35Very low147 Ų147146.4 Ų146.464%0.63976%0.76SS**  trans-100152-168.3-64.5173.7173.664.90113.3D319D319-K321 WeakPolarHBondContact OD1-CG 3.39Å; D319-K321 IonicContact OD1-NZ 3.59Å; D319-K321 PolarHBondContact OD1-NZ 2.68Å; D319-K321 IonicContact OD2-NZ 2.95Å; D319-K321 PolarHBondContact OD2-NZ 3.44Å
322R32.5Very low35Very low240 Ų240150 Ų15091%0.90677%0.769SS**  trans97.8144164-57.3170.6173.9176.9-2.7116.1
323Q33.4Very low34.7Very low192 Ų192149 Ų14990%0.89776%0.76SS**  trans66.587176.8-58.7-176.9-0.900116.4
324L34.6Very low34.7Very low150 Ų150146.4 Ų146.479%0.78575%0.746SS**  -168.6131.9121.8-99.8164.5000108
325V34.2Very low34.8Very low123 Ų123146.8 Ų146.875%0.74575%0.748SS**  trans-85.6147.8178.4176.70000109.5K327V325-K327 PolarHBondContact O-N 2.95Å
326D31.3Very low34.8Very low149 Ų149144.1 Ų144.180%0.79774%0.735SS**  trans-0.1101.1177.2-58.9-60.6000117.6
327K31.4Very low34.8Very low174 Ų174142.1 Ų142.176%0.75772%0.722SS**  trans-104.868.2162.1-75-171.5173.4-1760110.2V325V325-K327 PolarHBondContact O-N 2.95Å
328N28.8Very low34.9Very low155 Ų155141.4 Ų141.483%0.82971%0.709SS**  trans-160.450.7171.2-101.8-15.3000111.7
329D29.4Very low34.8Very low157 Ų157137.1 Ų137.184%0.8469%0.686SS**  trans-16482.9167.9-102.3-29.8000110.2
330T31Very low34.8Very low150 Ų150135.6 Ų135.692%0.9268%0.677SS**  trans-179.975.2166.413.60000111.2
331S34.1Very low34.6Very low114 Ų114133.1 Ų133.180%0.79766%0.66SS**  trans-147.8-22167.658.30000114.7E333S331-E333 PolarHBondContact O-N 2.88Å; S331-E333 VanDerWaalsContact O-N 3.09Å
332E34.6Very low34.9Very low188 Ų188131.6 Ų131.688%0.87966%0.659SS**  trans-83.954.8168.3-60.6-163.2158.600112.6S334E332-S334 VanDerWaalsContact C-N 3.31Å; E332-S334 PolarHBondContact O-N 2.86Å
333E33.3Very low35.5Very low113 Ų113126.5 Ų126.553%0.52864%0.64SS.*  trans-60.1101.4153.5-90.3-165.4142.200107S331 K338S331-E333 PolarHBondContact O-N 2.88Å; S331-E333 VanDerWaalsContact O-N 3.09Å; E333-K338 PolarHBondContact O-NZ 2.9Å; E333-K338 WeakPolarHBondContact OE2-CE 3.45Å; E333-K338 IonicContact OE2-NZ 3.48Å; E333-K338 PolarHBondContact OE2-NZ 3.03Å
334S37.8Very low36.2Very low51 Ų51122 Ų12236%0.35762%0.622SS.*  trans-53.4142.9-164.171.20000112.8E332 Q336 E337 K338E332-S334 VanDerWaalsContact C-N 3.31Å; E332-S334 PolarHBondContact O-N 2.86Å; S334-Q336 PolarHBondContact O-N 3.45Å; S334-E337 PolarHBondContact O-N 3.44Å; S334-E337 VanDerWaalsContact O-N 3.1Å; S334-E337 PolarHBondContact OG-N 2.77Å; S334-K338 PolarHBondContact O-N 3.35Å
335F39.6Very low37.1Very low167 Ų167117.4 Ų117.473%0.73260%0.596SS**Hα-helixtrans-55.5-26.9172.9-158.4-111000111.4K338 I339F335-K338 PolarHBondContact O-N 2.95Å; F335-I339 HydrophobicContact CD1-CD1 3.61Å; F335-I339 HydrophobicContact CD1-CG1 4.43Å; F335-I339 HydrophobicContact CE1-CD1 3.73Å; F335-I339 HydrophobicContact CE1-CG1 4.49Å; F335-I339 WeakPolarHBondContact O-CG1 3.37Å; F335-I339 PolarHBondContact O-N 3.42Å; F335-I339 VanDerWaalsContact O-N 3.09Å
336Q34.5Very low37.8Very low87 Ų87114.7 Ų114.741%0.40759%0.587SS.*Hα-helixtrans-60.4-53.3174.2-157.956.357.100112.4S334 K338 I339 D340S334-Q336 PolarHBondContact O-N 3.45Å; Q336-K338 VanDerWaalsContact C-N 3.25Å; Q336-K338 PolarHBondContact O-N 2.78Å; Q336-I339 PolarHBondContact O-N 3.47Å; Q336-I339 VanDerWaalsContact O-N 3.09Å; Q336-D340 WeakPolarHBondContact CG-OD2 3.25Å; Q336-D340 PolarHBondContact NE2-OD1 2.89Å; Q336-D340 PolarHBondContact NE2-OD2 3.22Å; Q336-D340 WeakPolarHBondContact O-CB 3.44Å; Q336-D340 PolarHBondContact O-N 2.88Å
337E38.4Very low39.2Very low93 Ų93110.2 Ų110.244%0.43557%0.57SS.*Hα-helixtrans-60.2-33.4177.3-76.3-168.899.200113.4S334 K341S334-E337 PolarHBondContact O-N 3.44Å; S334-E337 VanDerWaalsContact O-N 3.1Å; S334-E337 PolarHBondContact OG-N 2.77Å; E337-K341 VanDerWaalsContact O-CB 3.29Å; E337-K341 WeakPolarHBondContact O-CB 3.27Å; E337-K341 WeakPolarHBondContact O-CD 3.41Å; E337-K341 VanDerWaalsContact O-CG 3.24Å; E337-K341 WeakPolarHBondContact O-CG 3.22Å; E337-K341 PolarHBondContact O-N 3.16Å; E337-K341 IonicContact OE1-NZ 3.4Å
338K38.9Very low40.9Very low100 Ų100102.2 Ų102.244%0.43554%0.536SS..Hα-helixtrans-76.6-22.6178.7-76.6163.4-180148.20113.1E333 S334 F335 Q336 N342E333-K338 PolarHBondContact O-NZ 2.9Å; E333-K338 WeakPolarHBondContact OE2-CE 3.45Å; E333-K338 IonicContact OE2-NZ 3.48Å; E333-K338 PolarHBondContact OE2-NZ 3.03Å; S334-K338 PolarHBondContact O-N 3.35Å; F335-K338 PolarHBondContact O-N 2.95Å; Q336-K338 VanDerWaalsContact C-N 3.25Å; Q336-K338 PolarHBondContact O-N 2.78Å; K338-N342 PolarHBondContact O-ND2 2.87Å
339I36Very low42.9Very low57 Ų57102.2 Ų102.229%0.29253%0.525SS..Hα-helixtrans-80.2-47.9168.4-72.7168.7000110.3F335 Q336 K341 N342F335-I339 HydrophobicContact CD1-CD1 3.61Å; F335-I339 HydrophobicContact CD1-CG1 4.43Å; F335-I339 HydrophobicContact CE1-CD1 3.73Å; F335-I339 HydrophobicContact CE1-CG1 4.49Å; F335-I339 WeakPolarHBondContact O-CG1 3.37Å; F335-I339 PolarHBondContact O-N 3.42Å; F335-I339 VanDerWaalsContact O-N 3.09Å; Q336-I339 PolarHBondContact O-N 3.47Å; Q336-I339 VanDerWaalsContact O-N 3.09Å; I339-K341 PolarHBondContact O-N 2.79Å; I339-N342 WeakPolarHBondContact O-CB 3.49Å; I339-N342 PolarHBondContact O-N 2.91Å
340D38.2Very low45.3Very low66 Ų6697.3 Ų97.335%0.35350%0.496SS..Hα-helixtrans-72.8-29-171.3-63.6-31.8000112Q336 N342 R343Q336-D340 WeakPolarHBondContact CG-OD2 3.25Å; Q336-D340 PolarHBondContact NE2-OD1 2.89Å; Q336-D340 PolarHBondContact NE2-OD2 3.22Å; Q336-D340 WeakPolarHBondContact O-CB 3.44Å; Q336-D340 PolarHBondContact O-N 2.88Å; D340-N342 PolarHBondContact O-N 2.96Å; D340-R343 PolarHBondContact O-N 3.41Å
341K37.8Very low47.3Very low123 Ų12390.8 Ų90.854%0.53546%0.457SS..THydrogen-bonded Turntrans-57.9-24.6167.1-80.9167.4-178.4157.20113.9E337 I339E337-K341 VanDerWaalsContact O-CB 3.29Å; E337-K341 WeakPolarHBondContact O-CB 3.27Å; E337-K341 WeakPolarHBondContact O-CD 3.41Å; E337-K341 VanDerWaalsContact O-CG 3.24Å; E337-K341 WeakPolarHBondContact O-CG 3.22Å; E337-K341 PolarHBondContact O-N 3.16Å; E337-K341 IonicContact OE1-NZ 3.4Å; I339-K341 PolarHBondContact O-N 2.79Å
342N42.1Very low49.3Very low115 Ų11585.8 Ų85.862%0.61542%0.421SS*.THydrogen-bonded Turntrans-88.5-3.7176.3-79.1-46.2000114.1K338 I339 D340K338-N342 PolarHBondContact O-ND2 2.87Å; I339-N342 WeakPolarHBondContact O-CB 3.49Å; I339-N342 PolarHBondContact O-N 2.91Å; D340-N342 PolarHBondContact O-N 2.96Å
343R46.3Very low50.8Low133 Ų13377.8 Ų77.850%0.50239%0.389SS..  trans-109.74.1-174-76.3-177161.9151.4-1.8115.4N139 D340 H345N139-R343 PolarHBondContact O-NH2 3.11Å; D340-R343 PolarHBondContact O-N 3.41Å; R343-H345 PolarHBondContact O-N 2.76Å
344N48.6Very low52.5Low98 Ų9872.6 Ų72.652%0.52436%0.364SS..  trans-70.788.3174.4-91.3-34.4000111.7A346 A347N344-A346 PolarHBondContact O-N 2.61Å; N344-A346 VanDerWaalsContact O-N 3.12Å; N344-A347 HydrophobicContact CB-CB 4.13Å; N344-A347 WeakPolarHBondContact O-CB 3.47Å; N344-A347 PolarHBondContact O-N 3.13Å
345H52.5Low54Low53 Ų5375.8 Ų75.825%0.24538%0.384CS..G310 helixtrans-51-32.6165.7-71.3-177.1000111.8D245 R343 A347 C348 H390D245-H345 IonicContact OD2-CE1 3.5Å; D245-H345 IonicContact OD2-CG 3.5Å; D245-H345 IonicContact OD2-ND1 2.68Å; D245-H345 PolarHBondContact OD2-ND1 3.49Å; R343-H345 PolarHBondContact O-N 2.76Å; H345-A347 PolarHBondContact O-N 2.96Å; H345-A347 VanDerWaalsContact O-N 3.15Å; H345-C348 WeakPolarHBondContact O-CB 3.45Å; H345-C348 PolarHBondContact O-N 3.47Å; H345-H390 AromaticContact CD2-CD2 3.39Å; H345-H390 PolarHBondContact CD2-CD2 2.98Å; H345-H390 AromaticContact CD2-CG 3.87Å; H345-H390 AromaticContact CD2-NE2 3.61Å; H345-H390 AromaticContact NE2-CD2 3.25Å; H345-H390 PolarHBondContact NE2-CD2 2.73Å; H345-H390 VanDerWaalsContact NE2-CD2 3.25Å; H345-H390 AromaticContact NE2-CG 3.76Å; H345-H390 AromaticContact NE2-NE2 3.96Å
346A48.4Very low55.5Low66 Ų6674.3 Ų74.355%0.54538%0.38SS..G310 helixtrans-59.6-18174.600000114.8N344 N354N344-A346 PolarHBondContact O-N 2.61Å; N344-A346 VanDerWaalsContact O-N 3.12Å; A346-N354 PolarHBondContact O-ND2 2.8Å
347A61.2Low57.6Low55 Ų5571 Ų7146%0.45537%0.365SS..G310 helixtrans-98.3-3.8175.800000113.4N344 H345 W349N344-A347 HydrophobicContact CB-CB 4.13Å; N344-A347 WeakPolarHBondContact O-CB 3.47Å; N344-A347 PolarHBondContact O-N 3.13Å; H345-A347 PolarHBondContact O-N 2.96Å; H345-A347 VanDerWaalsContact O-N 3.15Å; A347-W349 PolarHBondContact O-N 3.32Å
348C67.3Low59.9Low5 Ų570 Ų703%0.03436%0.359CS..  trans-81.2119.7-177.1-176.40000111.5H345 F350 C351 N354 H434H345-C348 WeakPolarHBondContact O-CB 3.45Å; H345-C348 PolarHBondContact O-N 3.47Å; C348-F350 VanDerWaalsContact C-N 3.27Å; C348-F350 PolarHBondContact O-N 3.04Å; C348-C351 HydrophobicContact CB-CB 4.16Å; C348-C351 PolarHBondContact O-N 3.39Å; C348-C351 VanDerWaalsContact SG-SG 3.62Å; C348-N354 WeakPolarHBondContact O-CB 3.46Å; C348-N354 PolarHBondContact O-ND2 3.37Å; C348-H434 PolarHBondContact SG-CE1 3.12Å; C348-H434 PolarHBondContact SG-ND1 3.35Å
349W71.9Confident62.2Low155 Ų15571 Ų7159%0.58736%0.363SS*.THydrogen-bonded Turntrans-71.8-17.5-176.3-74.743.6000114.2A347 V357A347-W349 PolarHBondContact O-N 3.32Å; W349-V357 WeakPolarHBondContact O-CG2 3.36Å
350F79.5Confident64.8Low54 Ų5469.7 Ų69.724%0.23736%0.356CS..THydrogen-bonded Turntrans-101.1-5.4180-55.2-73.4000113.5C348 L352 Y370 L384 L386 H434C348-F350 VanDerWaalsContact C-N 3.27Å; C348-F350 PolarHBondContact O-N 3.04Å; F350-L352 PolarHBondContact O-N 3.02Å; F350-Y370 PolarHBondContact O-OH 3.17Å; F350-L384 HydrophobicContact CE1-CD1 4.06Å; F350-L386 HydrophobicContact CB-CD2 4.3Å; F350-L386 HydrophobicContact CD1-CD1 3.81Å; F350-L386 HydrophobicContact CD1-CD2 3.59Å; F350-L386 HydrophobicContact CD1-CG 4.38Å; F350-L386 HydrophobicContact CE1-CD1 4.47Å; F350-L386 HydrophobicContact CE1-CD2 4.08Å; F350-L386 HydrophobicContact CG-CD2 4.02Å; F350-H434 HydrophobicContact CB-CB 3.99Å; F350-H434 HydrophobicContact CD2-CB 4.06Å; F350-H434 HydrophobicContact CG-CB 4.45Å
351C72.4Confident67.5Low14 Ų1467.1 Ų67.110%0.09534%0.342CS..  trans-74.2118.8172.6-75.20000109.9C348 G353 N354 H390 H434C348-C351 HydrophobicContact CB-CB 4.16Å; C348-C351 PolarHBondContact O-N 3.39Å; C348-C351 VanDerWaalsContact SG-SG 3.62Å; C351-G353 PolarHBondContact O-N 3.19Å; C351-N354 HydrophobicContact CB-CB 4.37Å; C351-N354 WeakPolarHBondContact O-CB 3.23Å; C351-N354 PolarHBondContact O-N 3.37Å; C351-H390 PolarHBondContact SG-ND1 2.93Å; C351-H434 WeakPolarHBondContact CA-NE2 3.26Å; C351-H434 PolarHBondContact N-CE1 3.09Å; C351-H434 PolarHBondContact SG-CE1 3.33Å; C351-H434 PolarHBondContact SG-ND1 3.34Å; C351-H434 VanDerWaalsContact SG-ND1 3.39Å; C351-H434 PolarHBondContact SG-NE2 3.1Å
352L75.4Confident70.1Confident8 Ų862 Ų624%0.04232%0.321CS..THydrogen-bonded Turntrans-55.3-22.9173.6-63.5-178.5000113.2M105 F350 I362 Y370 I388M105-L352 HydrophobicContact CE-CB 4.31Å; M105-L352 HydrophobicContact CE-CD1 4.25Å; M105-L352 CarbonylContact O-C 3.51Å; M105-L352 VanDerWaalsContact O-C 3.31Å; F350-L352 PolarHBondContact O-N 3.02Å; L352-I362 HydrophobicContact CD2-CD1 3.57Å; L352-Y370 HydrophobicContact CD1-CD1 4.02Å; L352-Y370 HydrophobicContact CD1-CE1 4.14Å; L352-Y370 HydrophobicContact CD1-CG 4.45Å; L352-Y370 HydrophobicContact CD2-CD1 4.32Å; L352-Y370 HydrophobicContact CD2-CD2 4.39Å; L352-Y370 HydrophobicContact CD2-CE1 3.82Å; L352-Y370 HydrophobicContact CD2-CE2 3.89Å; L352-Y370 HydrophobicContact CG-CD1 4.21Å; L352-Y370 HydrophobicContact CG-CE1 3.8Å; L352-I388 HydrophobicContact CD1-CG1 4.07Å; L352-I388 HydrophobicContact CD1-CG2 4.4Å
353G66.9Low72.6Confident20 Ų2057.4 Ų57.421%0.20630%0.297CS..THydrogen-bonded Turntrans-84.9-1175.800000115.8M105 K246 C351M105-G353 WeakPolarHBondContact O-CA 3.5Å; M105-G353 PolarHBondContact O-N 3.21Å; K246-G353 PolarHBondContact NZ-O 2.77Å; C351-G353 PolarHBondContact O-N 3.19Å
354N69.2Low74.8Confident4 Ų451.6 Ų51.62%0.02128%0.277CS..SBendtrans-84.5124.2169.2179.4-7.7000108.9A346 C348 C351 Q356 V357A346-N354 PolarHBondContact O-ND2 2.8Å; C348-N354 WeakPolarHBondContact O-CB 3.46Å; C348-N354 PolarHBondContact O-ND2 3.37Å; C351-N354 HydrophobicContact CB-CB 4.37Å; C351-N354 WeakPolarHBondContact O-CB 3.23Å; C351-N354 PolarHBondContact O-N 3.37Å; N354-Q356 PolarHBondContact O-N 2.91Å; N354-Q356 VanDerWaalsContact O-N 3.11Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.44Å; N354-Q356 PolarHBondContact OD1-N 2.72Å; N354-V357 WeakPolarHBondContact O-CB 3.39Å; N354-V357 WeakPolarHBondContact O-CG1 3.38Å; N354-V357 PolarHBondContact O-N 3.19Å; N354-V357 VanDerWaalsContact O-N 3.11Å
355P69Low76.8Confident119 Ų11951 Ų5177%0.77327%0.273SS*.THydrogen-bonded Turntrans-62-16.8177.726.5-35.9000114.4
356Q71.3Confident78.4Confident136 Ų13649.8 Ų49.864%0.63627%0.274SS*.THydrogen-bonded Turntrans-87.1-3.1176.9-60.8-176.9-17.300114.1N354 K358N354-Q356 PolarHBondContact O-N 2.91Å; N354-Q356 VanDerWaalsContact O-N 3.11Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.44Å; N354-Q356 PolarHBondContact OD1-N 2.72Å; Q356-K358 PolarHBondContact O-N 3.24Å
357V79.2Confident80.1Confident16 Ų1651.6 Ų51.610%0.09728%0.279CS..SBendtrans-60.4132.617870.20000110.8W349 N354 K359W349-V357 WeakPolarHBondContact O-CG2 3.36Å; N354-V357 WeakPolarHBondContact O-CB 3.39Å; N354-V357 WeakPolarHBondContact O-CG1 3.38Å; N354-V357 PolarHBondContact O-N 3.19Å; N354-V357 VanDerWaalsContact O-N 3.11Å; V357-K359 VanDerWaalsContact C-N 3.3Å; V357-K359 HydrophobicContact CG1-CD 4.39Å; V357-K359 HydrophobicContact CG1-CG 3.72Å; V357-K359 PolarHBondContact O-N 3.4Å
358K86.4Confident81.4Confident72 Ų7250.6 Ų50.631%0.31326%0.264SS..  trans-76.177.9-179.2-72.7-52.9-142.4175.20111.4Q356 H360 L361 E540Q356-K358 PolarHBondContact O-N 3.24Å; K358-H360 PolarHBondContact O-N 3.08Å; K358-L361 HydrophobicContact CB-CD1 3.71Å; K358-L361 HydrophobicContact CB-CG 4.25Å; K358-L361 HydrophobicContact CG-CD1 4.48Å; K358-L361 WeakPolarHBondContact O-CB 3.48Å; K358-L361 PolarHBondContact O-N 3.47Å; K358-E540 IonicContact NZ-OE2 2.69Å; K358-E540 PolarHBondContact NZ-OE2 3.36Å
359K87.4Confident82.5Confident121 Ų12150.3 Ų50.353%0.52626%0.263SS..G310 helixtrans-60.1-26.7-171.7-65.4-176.1-177.7-175.70114.4V357 L361 I362V357-K359 VanDerWaalsContact C-N 3.3Å; V357-K359 HydrophobicContact CG1-CD 4.39Å; V357-K359 HydrophobicContact CG1-CG 3.72Å; V357-K359 PolarHBondContact O-N 3.4Å; K359-L361 PolarHBondContact O-N 3.25Å; K359-I362 HydrophobicContact CB-CD1 4.33Å; K359-I362 HydrophobicContact CG-CD1 4.37Å; K359-I362 WeakPolarHBondContact O-CB 3.32Å; K359-I362 PolarHBondContact O-N 3.11Å
360H90.4Very high83.4Confident30 Ų3043.1 Ų43.114%0.13924%0.236CC..G310 helixtrans-64.6-25.9179.164.1-69.5000113.3K358 I362 E543 T544 A547 R551K358-H360 PolarHBondContact O-N 3.08Å; H360-I362 VanDerWaalsContact C-N 3.33Å; H360-E543 IonicContact CD2-OE2 2.7Å; H360-E543 IonicContact CE1-OE2 2.8Å; H360-E543 PolarHBondContact CE1-OE2 2.83Å; H360-E543 WeakPolarHBondContact NE2-CB 3.36Å; H360-E543 IonicContact NE2-OE2 3.17Å; H360-E543 PolarHBondContact NE2-OE2 2.95Å; H360-T544 WeakPolarHBondContact CB-OG1 3.44Å; H360-T544 PolarHBondContact CD2-OG1 3.32Å; H360-A547 WeakPolarHBondContact O-CB 3.49Å; H360-R551 PolarHBondContact O-NH2 2.94Å
361L94.2Very high84.2Confident12 Ų1240.6 Ų40.66%0.06322%0.224CC..G310 helixtrans-76.8-12.7176.8-61.7171.2000114K358 K359 V363 A372 L373 R375 E543K358-L361 HydrophobicContact CB-CD1 3.71Å; K358-L361 HydrophobicContact CB-CG 4.25Å; K358-L361 HydrophobicContact CG-CD1 4.48Å; K358-L361 WeakPolarHBondContact O-CB 3.48Å; K358-L361 PolarHBondContact O-N 3.47Å; K359-L361 PolarHBondContact O-N 3.25Å; L361-V363 PolarHBondContact O-N 3.22Å; L361-A372 CarbonylContact O-C 3.58Å; L361-A372 VanDerWaalsContact O-CA 3.26Å; L361-A372 WeakPolarHBondContact O-CA 3.37Å; L361-L373 HydrophobicContact CB-CB 4.46Å; L361-L373 HydrophobicContact CD2-CB 4.1Å; L361-L373 PolarHBondContact O-N 2.9Å; L361-R375 HydrophobicContact CD1-CG 3.95Å; L361-E543 HydrophobicContact CD2-CB 3.81Å; L361-E543 HydrophobicContact CD2-CG 4.15Å
362I93.2Very high85.4Confident17 Ų1740.2 Ų40.29%0.08722%0.222CC..EExtended strand (participates in β ladder)trans-75.8118-173.9-57.9171.7000110.4L352 K359 H360 I365 Y370 A372 R551L352-I362 HydrophobicContact CD2-CD1 3.57Å; K359-I362 HydrophobicContact CB-CD1 4.33Å; K359-I362 HydrophobicContact CG-CD1 4.37Å; K359-I362 WeakPolarHBondContact O-CB 3.32Å; K359-I362 PolarHBondContact O-N 3.11Å; H360-I362 VanDerWaalsContact C-N 3.33Å; I362-I365 HydrophobicContact CG2-CD1 3.88Å; I362-I365 HydrophobicContact CG2-CG1 3.59Å; I362-Y370 HydrophobicContact CG1-CD2 4.48Å; I362-Y370 HydrophobicContact CG1-CE2 4.15Å; I362-Y370 HydrophobicContact CG2-CD2 4.04Å; I362-A372 HydrophobicContact CG1-CB 4.46Å; I362-R551 PolarHBondContact O-NE 2.86Å; I362-R551 PolarHBondContact O-NH2 3.17Å
363V93.5Very high86.4Confident17 Ų1740 Ų4010%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-85.4-56.4-177173.10000111L361 V371 L373 F550 R551 F554L361-V363 PolarHBondContact O-N 3.22Å; V363-V371 HydrophobicContact CB-CB 4.28Å; V363-V371 HydrophobicContact CB-CG1 4.06Å; V363-V371 HydrophobicContact CG1-CG1 4.41Å; V363-V371 HydrophobicContact CG2-CG1 4.46Å; V363-V371 PolarHBondContact N-O 3.23Å; V363-L373 HydrophobicContact CG2-CD2 4.31Å; V363-L373 HydrophobicContact CG2-CG 4.25Å; V363-F550 HydrophobicContact CB-CD1 4.19Å; V363-F550 HydrophobicContact CG1-CD1 3.55Å; V363-F550 HydrophobicContact CG1-CE1 3.89Å; V363-F550 HydrophobicContact CG2-CB 4.35Å; V363-F550 HydrophobicContact CG2-CD1 3.58Å; V363-F550 HydrophobicContact CG2-CE1 4.19Å; V363-F550 HydrophobicContact CG2-CG 4.17Å; V363-R551 HydrophobicContact CB-CG 4.28Å; V363-R551 HydrophobicContact CG1-CG 3.92Å; V363-F554 HydrophobicContact CG1-CB 4.33Å; V363-F554 HydrophobicContact CG1-CD1 3.81Å; V363-F554 HydrophobicContact CG1-CG 4.41Å
364S93.6Very high87.7Confident12 Ų1239.7 Ų39.78%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-142.2151.8-172.2-179.60000109.5Y370 V371 Y408 D558S364-Y370 WeakPolarHBondContact O-CA 3.46Å; S364-Y370 WeakPolarHBondContact O-CB 3.17Å; S364-V371 PolarHBondContact N-O 3.11Å; S364-V371 PolarHBondContact O-N 2.94Å; S364-Y408 PolarHBondContact OG-OH 3.23Å; S364-D558 WeakPolarHBondContact CB-OD2 3.24Å; S364-D558 PolarHBondContact OG-OD1 3.41Å; S364-D558 VanDerWaalsContact OG-OD1 3.08Å; S364-D558 PolarHBondContact OG-OD2 2.68Å
365I90.2Very high88.8Confident85 Ų8542.9 Ų42.944%0.43623%0.227SC..EExtended strand (participates in β ladder)trans-137.3120.7-178.9-52.9177.4000108.7M105 I362 I388 Y408M105-I365 HydrophobicContact CE-CD1 4.38Å; I362-I365 HydrophobicContact CG2-CD1 3.88Å; I362-I365 HydrophobicContact CG2-CG1 3.59Å; I365-I388 HydrophobicContact CG2-CD1 3.81Å; I365-Y408 VanDerWaalsContact C-OH 3.26Å; I365-Y408 PolarHBondContact N-OH 2.95Å
366G86.7Confident89.9Confident27 Ų2737.2 Ų37.228%0.27819%0.19SC..  trans-95-153.2173.600000112.1A369 I388 Y408G366-A369 WeakPolarHBondContact CA-O 3.43Å; G366-A369 PolarHBondContact N-O 2.9Å; G366-I388 VanDerWaalsContact O-CD1 3.27Å; G366-I388 WeakPolarHBondContact O-CD1 3.43Å; G366-Y408 PolarHBondContact N-OH 3.07Å
367T83.5Confident91.1Very high104 Ų10430.9 Ų30.964%0.63816%0.161SC*.SBendtrans-87.8-30.8-179.5-41.60000111.9E404T367-E404 WeakPolarHBondContact CA-OE1 3.45Å; T367-E404 VanDerWaalsContact CB-OE1 3.28Å; T367-E404 WeakPolarHBondContact CB-OE1 3.17Å; T367-E404 PolarHBondContact N-OE1 2.92Å; T367-E404 PolarHBondContact N-OE2 3.45Å; T367-E404 VanDerWaalsContact N-OE2 3.16Å; T367-E404 PolarHBondContact OG1-OE1 3.31Å
368Q87.7Confident91.9Very high34 Ų3430.3 Ų30.316%0.15916%0.158CC..SBendtrans-133.5-22.8-168.8-53-59.5-18.700113.8I388 Y400 V401 E404Q368-I388 PolarHBondContact O-N 2.78Å; Q368-Y400 HydrophobicContact CG-CD2 3.82Å; Q368-Y400 HydrophobicContact CG-CE2 4.1Å; Q368-V401 HydrophobicContact CB-CB 4.41Å; Q368-V401 HydrophobicContact CB-CG1 4.26Å; Q368-V401 HydrophobicContact CB-CG2 4.23Å; Q368-E404 WeakPolarHBondContact CA-OE2 3.11Å; Q368-E404 PolarHBondContact N-OE2 2.59Å
369A90.2Very high92.3Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-135.8166.2179.400000110.7G366 I385 L386 E404 I405 Y408G366-A369 WeakPolarHBondContact CA-O 3.43Å; G366-A369 PolarHBondContact N-O 2.9Å; A369-I385 HydrophobicContact CB-CG2 4.32Å; A369-L386 CarbonylContact C-O 3.53Å; A369-L386 WeakPolarHBondContact CA-O 3.27Å; A369-L386 WeakPolarHBondContact CB-O 3.45Å; A369-E404 PolarHBondContact N-OE2 3.48Å; A369-I405 HydrophobicContact CB-CG1 3.97Å; A369-Y408 HydrophobicContact CB-CD2 4.21Å; A369-Y408 HydrophobicContact CB-CE2 4.34Å
370Y92.8Very high92.7Very high4 Ų426.1 Ų26.12%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-150.6155.1178.276.2-89.6000111F350 L352 I362 S364 A372 L386 T387 I388F350-Y370 PolarHBondContact O-OH 3.17Å; L352-Y370 HydrophobicContact CD1-CD1 4.02Å; L352-Y370 HydrophobicContact CD1-CE1 4.14Å; L352-Y370 HydrophobicContact CD1-CG 4.45Å; L352-Y370 HydrophobicContact CD2-CD1 4.32Å; L352-Y370 HydrophobicContact CD2-CD2 4.39Å; L352-Y370 HydrophobicContact CD2-CE1 3.82Å; L352-Y370 HydrophobicContact CD2-CE2 3.89Å; L352-Y370 HydrophobicContact CG-CD1 4.21Å; L352-Y370 HydrophobicContact CG-CE1 3.8Å; I362-Y370 HydrophobicContact CG1-CD2 4.48Å; I362-Y370 HydrophobicContact CG1-CE2 4.15Å; I362-Y370 HydrophobicContact CG2-CD2 4.04Å; S364-Y370 WeakPolarHBondContact O-CA 3.46Å; S364-Y370 WeakPolarHBondContact O-CB 3.17Å; Y370-A372 HydrophobicContact CD2-CB 4.22Å; Y370-A372 HydrophobicContact CE2-CB 3.88Å; Y370-L386 HydrophobicContact CD1-CB 3.89Å; Y370-L386 HydrophobicContact CD2-CB 4.46Å; Y370-L386 HydrophobicContact CD2-CD1 4.47Å; Y370-L386 HydrophobicContact CE1-CB 3.5Å; Y370-L386 HydrophobicContact CE1-CD1 4.29Å; Y370-L386 HydrophobicContact CE2-CB 4.13Å; Y370-L386 HydrophobicContact CE2-CD1 3.62Å; Y370-L386 HydrophobicContact CE2-CG 4.48Å; Y370-L386 HydrophobicContact CG-CB 4.37Å; Y370-L386 PolarHBondContact N-O 2.93Å; Y370-L386 PolarHBondContact O-N 2.97Å; Y370-L386 WeakPolarHBondContact OH-CD1 3.48Å; Y370-T387 WeakPolarHBondContact CE1-O 3.39Å; Y370-I388 HydrophobicContact CD1-CG1 3.96Å
371V96Very high92.9Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-103.2133.2177.3-178.10000109.4V363 S364 A383 L384 I385 Y408 L412 F550V363-V371 HydrophobicContact CB-CB 4.28Å; V363-V371 HydrophobicContact CB-CG1 4.06Å; V363-V371 HydrophobicContact CG1-CG1 4.41Å; V363-V371 HydrophobicContact CG2-CG1 4.46Å; V363-V371 PolarHBondContact N-O 3.23Å; S364-V371 PolarHBondContact N-O 3.11Å; S364-V371 PolarHBondContact O-N 2.94Å; V371-A383 HydrophobicContact CG1-CB 4.16Å; V371-L384 WeakPolarHBondContact CA-O 3.05Å; V371-I385 HydrophobicContact CG2-CG1 4.41Å; V371-Y408 HydrophobicContact CG2-CD1 3.35Å; V371-Y408 HydrophobicContact CG2-CD2 4.31Å; V371-Y408 HydrophobicContact CG2-CE1 3.55Å; V371-Y408 HydrophobicContact CG2-CE2 4.44Å; V371-Y408 HydrophobicContact CG2-CG 3.76Å; V371-L412 HydrophobicContact CG2-CD1 4.49Å; V371-F550 HydrophobicContact CG1-CE1 4.49Å
372A96Very high93.1Very high6 Ų624.5 Ų24.55%0.0514%0.142CC..EExtended strand (participates in β ladder)trans-143.8160.9173.500000111.5L361 I362 Y370 L384 L386L361-A372 CarbonylContact O-C 3.58Å; L361-A372 VanDerWaalsContact O-CA 3.26Å; L361-A372 WeakPolarHBondContact O-CA 3.37Å; I362-A372 HydrophobicContact CG1-CB 4.46Å; Y370-A372 HydrophobicContact CD2-CB 4.22Å; Y370-A372 HydrophobicContact CE2-CB 3.88Å; A372-L384 PolarHBondContact N-O 3.18Å; A372-L384 WeakPolarHBondContact O-CB 3.35Å; A372-L384 PolarHBondContact O-N 2.66Å; A372-L386 HydrophobicContact CB-CD1 4.12Å
373L96.4Very high93.3Very high5 Ų523.7 Ų23.73%0.02614%0.138CC..PPolyproline II helixtrans-81.6144.3169.3-59.1-171.6000111.1L361 V363 H382 L546 A547 F550L361-L373 HydrophobicContact CB-CB 4.46Å; L361-L373 HydrophobicContact CD2-CB 4.1Å; L361-L373 PolarHBondContact O-N 2.9Å; V363-L373 HydrophobicContact CG2-CD2 4.31Å; V363-L373 HydrophobicContact CG2-CG 4.25Å; L373-H382 WeakPolarHBondContact CD2-O 3.34Å; L373-L546 HydrophobicContact CD1-CB 4.25Å; L373-L546 HydrophobicContact CD1-CD2 3.96Å; L373-L546 HydrophobicContact CD1-CG 3.73Å; L373-A547 HydrophobicContact CD1-CB 4.02Å; L373-F550 HydrophobicContact CD1-CB 4.26Å; L373-F550 HydrophobicContact CD2-CB 4.15Å; L373-F550 HydrophobicContact CD2-CD1 4.44Å; L373-F550 HydrophobicContact CD2-CD2 3.61Å; L373-F550 HydrophobicContact CD2-CE2 4.08Å; L373-F550 HydrophobicContact CD2-CG 3.81Å
374P94.4Very high93.5Very high12 Ų1223.1 Ų23.18%0.07813%0.134CC..PPolyproline II helixtrans-77.3150.1169.128.5-25.7000110.9P377 H382 L384P374-P377 HydrophobicContact CG-CB 4.23Å; P374-H382 WeakPolarHBondContact CD-O 3.24Å; P374-H382 HydrophobicContact CG-CB 4.41Å; P374-H382 WeakPolarHBondContact CG-ND1 3.39Å; P374-L384 HydrophobicContact CB-CD1 3.92Å; P374-L384 HydrophobicContact CB-CD2 4.04Å; P374-L384 HydrophobicContact CB-CG 3.91Å; P374-L384 HydrophobicContact CG-CD2 4.28Å; P374-L384 HydrophobicContact CG-CG 4.23Å
375R92.6Very high93.7Very high71 Ų7122.6 Ų22.627%0.26813%0.13SC..SBendtrans-63.6136.2164-57.3-158.174.2-128.5-15.1109.5L361 W533 T537 D538 E543L361-R375 HydrophobicContact CD1-CG 3.95Å; R375-W533 HydrophobicContact CB-CE3 4.22Å; R375-W533 HydrophobicContact CB-CZ3 4.31Å; R375-T537 HydrophobicContact CB-CG2 4.45Å; R375-D538 PolarHBondContact NH2-O 2.86Å; R375-E543 IonicContact CZ-OE1 2.68Å; R375-E543 IonicContact NE-OE1 3.07Å; R375-E543 PolarHBondContact NE-OE1 3.29Å; R375-E543 IonicContact NE-OE2 2.74Å; R375-E543 IonicContact NH2-OE1 2.77Å; R375-E543 PolarHBondContact NH2-OE1 2.98Å
376G93Very high93.9Very high0 Ų018.7 Ų18.70%011%0.11CC..SBendtrans57.466.9-174.700000113.5R516 C536G376-R516 VanDerWaalsContact O-CZ 3.26Å; G376-R516 PolarHBondContact O-NH1 2.99Å; G376-R516 PolarHBondContact O-NH2 2.73Å; G376-C536 WeakPolarHBondContact CA-O 2.92Å
377P95.4Very high94.1Very high4 Ų417.4 Ų17.43%0.02610%0.097CC..  trans-72.3142.3-177.930.6-33.8000111.9P374 H382 K530 D538 L546P374-P377 HydrophobicContact CG-CB 4.23Å; P377-H382 HydrophobicContact CB-CB 4Å; P377-K530 PolarHBondContact O-NZ 2.88Å; P377-D538 WeakPolarHBondContact CD-OD2 3.38Å; P377-L546 HydrophobicContact CG-CD2 3.68Å
378I96.3Very high94.1Very high4 Ų413.8 Ų13.82%0.0217%0.074CC..SBendtrans-63.7-51.9180-51.5177000109.5V440 R516 L519 T520 L525 C527 K530I378-V440 HydrophobicContact CD1-CG1 4.49Å; I378-V440 HydrophobicContact CD1-CG2 4.04Å; I378-R516 HydrophobicContact CD1-CB 4.08Å; I378-R516 HydrophobicContact CD1-CG 4.09Å; I378-L519 HydrophobicContact CD1-CB 4.28Å; I378-T520 HydrophobicContact CG2-CG2 3.84Å; I378-L525 HydrophobicContact CG2-CD1 3.64Å; I378-C527 VanDerWaalsContact CG2-SG 3.58Å; I378-K530 WeakPolarHBondContact O-CD 2.85Å; I378-K530 PolarHBondContact O-NZ 3.47Å; I378-K530 VanDerWaalsContact O-NZ 3.09Å
379V95.9Very high93.6Very high25 Ų2513.1 Ų13.115%0.1528%0.075CC..SBendtrans-121.5154.3172.9-70.70000109.3D381 H382 V440 P441 L525V379-D381 PolarHBondContact O-N 2.72Å; V379-H382 HydrophobicContact CG2-CB 4.2Å; V379-H382 WeakPolarHBondContact O-CB 3.47Å; V379-H382 PolarHBondContact O-N 2.66Å; V379-V440 HydrophobicContact CG2-CG1 4.4Å; V379-P441 HydrophobicContact CG2-CG 3.84Å; V379-L525 HydrophobicContact CG1-CD1 4.03Å; V379-L525 HydrophobicContact CG1-CD2 4.06Å
380P95.1Very high93Very high80 Ų8016.2 Ų16.252%0.5199%0.09SC..THydrogen-bonded Turntrans-50-30.8-177.3-31.838.2000114.9L546P380-L546 HydrophobicContact CB-CD1 3.83Å
381D95.3Very high92.5Very high7 Ų717.6 Ų17.64%0.03710%0.097CC..THydrogen-bonded Turntrans-106.526.6-179.960.3-48.5000114.7V379 A383 Y416 Q419 K421 P441 F550 M553V379-D381 PolarHBondContact O-N 2.72Å; D381-A383 PolarHBondContact O-N 2.88Å; D381-Y416 HydrophobicContact CB-CE1 4.11Å; D381-Y416 WeakPolarHBondContact O-CE1 3.28Å; D381-Y416 PolarHBondContact O-OH 3.35Å; D381-Y416 WeakPolarHBondContact OD2-CD1 3.44Å; D381-Y416 WeakPolarHBondContact OD2-CE1 3.38Å; D381-Q419 PolarHBondContact OD2-OE1 3.3Å; D381-K421 IonicContact OD1-NZ 3.79Å; D381-K421 PolarHBondContact OD1-NZ 2.8Å; D381-K421 WeakPolarHBondContact OD2-CD 3.35Å; D381-K421 IonicContact OD2-NZ 3.74Å; D381-K421 PolarHBondContact OD2-NZ 3.37Å; D381-P441 HydrophobicContact CB-CG 4.37Å; D381-P441 VanDerWaalsContact CG-CG 3.48Å; D381-P441 WeakPolarHBondContact O-CD 3.38Å; D381-P441 WeakPolarHBondContact O-CG 3.4Å; D381-P441 VanDerWaalsContact OD2-CG 3.24Å; D381-P441 WeakPolarHBondContact OD2-CG 3.26Å; D381-F550 HydrophobicContact CB-CD2 4.05Å; D381-F550 HydrophobicContact CB-CE2 3.88Å; D381-M553 HydrophobicContact CB-CE 4.2Å
382H97.3Very high91.9Very high0 Ų021.1 Ų21.10%011%0.113CC..  trans-70118.3164.2178-164.5000109.9L373 P374 P377 V379 Q438 V439 V440L373-H382 WeakPolarHBondContact CD2-O 3.34Å; P374-H382 WeakPolarHBondContact CD-O 3.24Å; P374-H382 HydrophobicContact CG-CB 4.41Å; P374-H382 WeakPolarHBondContact CG-ND1 3.39Å; P377-H382 HydrophobicContact CB-CB 4Å; V379-H382 HydrophobicContact CG2-CB 4.2Å; V379-H382 WeakPolarHBondContact O-CB 3.47Å; V379-H382 PolarHBondContact O-N 2.66Å; H382-Q438 PolarHBondContact CE1-OE1 3.25Å; H382-Q438 VanDerWaalsContact CE1-OE1 3.3Å; H382-Q438 PolarHBondContact NE2-OE1 3.1Å; H382-V439 PolarHBondContact CD2-O 2.8Å; H382-V440 VanDerWaalsContact CD2-CG2 3.41Å; H382-V440 WeakPolarHBondContact CD2-CG2 3.1Å; H382-V440 WeakPolarHBondContact NE2-CG2 3.36Å
383A97.7Very high91.6Very high0 Ų020.8 Ų20.80%011%0.11CC..EExtended strand (participates in β ladder)trans-112163.8178.300000112.5V371 D381 L412 V439 F550V371-A383 HydrophobicContact CG1-CB 4.16Å; D381-A383 PolarHBondContact O-N 2.88Å; A383-L412 HydrophobicContact CB-CD1 4.38Å; A383-V439 HydrophobicContact CB-CB 4.4Å; A383-V439 PolarHBondContact N-O 3.09Å; A383-V439 WeakPolarHBondContact O-CA 3.49Å; A383-V439 WeakPolarHBondContact O-CB 3.46Å; A383-V439 PolarHBondContact O-N 3.06Å; A383-F550 HydrophobicContact CB-CE2 4.16Å; A383-F550 HydrophobicContact CB-CZ 3.82Å
384L97.5Very high91.4Very high6 Ų621.7 Ų21.73%0.03111%0.113CC..EExtended strand (participates in β ladder)trans-116.5137.6166.3-56.7-178.3000109F350 V371 A372 P374 L386 L437 Q438F350-L384 HydrophobicContact CE1-CD1 4.06Å; V371-L384 WeakPolarHBondContact CA-O 3.05Å; A372-L384 PolarHBondContact N-O 3.18Å; A372-L384 WeakPolarHBondContact O-CB 3.35Å; A372-L384 PolarHBondContact O-N 2.66Å; P374-L384 HydrophobicContact CB-CD1 3.92Å; P374-L384 HydrophobicContact CB-CD2 4.04Å; P374-L384 HydrophobicContact CB-CG 3.91Å; P374-L384 HydrophobicContact CG-CD2 4.28Å; P374-L384 HydrophobicContact CG-CG 4.23Å; L384-L386 HydrophobicContact CB-CD1 4.1Å; L384-L386 HydrophobicContact CB-CD2 4.33Å; L384-L386 HydrophobicContact CB-CG 3.96Å; L384-L386 HydrophobicContact CD1-CD1 4.18Å; L384-L386 HydrophobicContact CD1-CD2 4.37Å; L384-L437 WeakPolarHBondContact CA-O 3.47Å; L384-Q438 HydrophobicContact CD2-CB 4.22Å; L384-Q438 VanDerWaalsContact CD2-CD 3.44Å; L384-Q438 HydrophobicContact CD2-CG 3.88Å
385I97.4Very high91Very high0 Ų021.8 Ų21.80%011%0.113CC..EExtended strand (participates in β ladder)trans-100.8125.8158.7-56.6167.6000107.4A369 V371 I405 K409 L412 L437 V439A369-I385 HydrophobicContact CB-CG2 4.32Å; V371-I385 HydrophobicContact CG2-CG1 4.41Å; I385-I405 HydrophobicContact CG2-CB 4.41Å; I385-I405 HydrophobicContact CG2-CG1 4.07Å; I385-I405 HydrophobicContact CG2-CG2 4.15Å; I385-K409 HydrophobicContact CD1-CB 4.49Å; I385-K409 HydrophobicContact CD1-CG 3.66Å; I385-L412 HydrophobicContact CD1-CD1 4.07Å; I385-L412 HydrophobicContact CG1-CD1 4.07Å; I385-L437 HydrophobicContact CB-CB 4.33Å; I385-L437 HydrophobicContact CD1-CD2 4.35Å; I385-L437 PolarHBondContact N-O 3.03Å; I385-L437 PolarHBondContact O-N 3.49Å; I385-V439 HydrophobicContact CD1-CG2 4.07Å; I385-V439 HydrophobicContact CG1-CG2 4.11Å
386L94.1Very high90.5Very high3 Ų319.2 Ų19.22%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-128.1146-172-63.7166.1000108.9F350 A369 Y370 A372 L384 Y435 Q436F350-L386 HydrophobicContact CB-CD2 4.3Å; F350-L386 HydrophobicContact CD1-CD1 3.81Å; F350-L386 HydrophobicContact CD1-CD2 3.59Å; F350-L386 HydrophobicContact CD1-CG 4.38Å; F350-L386 HydrophobicContact CE1-CD1 4.47Å; F350-L386 HydrophobicContact CE1-CD2 4.08Å; F350-L386 HydrophobicContact CG-CD2 4.02Å; A369-L386 CarbonylContact C-O 3.53Å; A369-L386 WeakPolarHBondContact CA-O 3.27Å; A369-L386 WeakPolarHBondContact CB-O 3.45Å; Y370-L386 HydrophobicContact CD1-CB 3.89Å; Y370-L386 HydrophobicContact CD2-CB 4.46Å; Y370-L386 HydrophobicContact CD2-CD1 4.47Å; Y370-L386 HydrophobicContact CE1-CB 3.5Å; Y370-L386 HydrophobicContact CE1-CD1 4.29Å; Y370-L386 HydrophobicContact CE2-CB 4.13Å; Y370-L386 HydrophobicContact CE2-CD1 3.62Å; Y370-L386 HydrophobicContact CE2-CG 4.48Å; Y370-L386 HydrophobicContact CG-CB 4.37Å; Y370-L386 PolarHBondContact N-O 2.93Å; Y370-L386 PolarHBondContact O-N 2.97Å; Y370-L386 WeakPolarHBondContact OH-CD1 3.48Å; A372-L386 HydrophobicContact CB-CD1 4.12Å; L384-L386 HydrophobicContact CB-CD1 4.1Å; L384-L386 HydrophobicContact CB-CD2 4.33Å; L384-L386 HydrophobicContact CB-CG 3.96Å; L384-L386 HydrophobicContact CD1-CD1 4.18Å; L384-L386 HydrophobicContact CD1-CD2 4.37Å; L386-Y435 WeakPolarHBondContact CD2-O 3.49Å; L386-Q436 HydrophobicContact CD2-CB 3.67Å
387T90.6Very high90.1Very high0 Ų019.4 Ų19.40%011%0.107CC..EExtended strand (participates in β ladder)trans-77.2152.2173.444.10000111.5Y370 G389 H391 V401 I405 H434 Y435Y370-T387 WeakPolarHBondContact CE1-O 3.39Å; T387-G389 VanDerWaalsContact CB-O 3.24Å; T387-G389 WeakPolarHBondContact CB-O 3.28Å; T387-G389 PolarHBondContact OG1-O 2.97Å; T387-H391 HydrophobicContact CG2-CB 4.34Å; T387-V401 HydrophobicContact CG2-CG1 3.53Å; T387-I405 HydrophobicContact CG2-CD1 4.16Å; T387-H434 PolarHBondContact OG1-CD2 3.43Å; T387-H434 VanDerWaalsContact OG1-CD2 3.29Å; T387-Y435 HydrophobicContact CG2-CD1 3.95Å; T387-Y435 HydrophobicContact CG2-CG 4.34Å
388I85Confident89.5Confident29 Ų2920.2 Ų20.215%0.14911%0.113CC..SBendtrans-80.8-41.7167.5-64.1179.3000109.3L352 I365 G366 Q368 Y370L352-I388 HydrophobicContact CD1-CG1 4.07Å; L352-I388 HydrophobicContact CD1-CG2 4.4Å; I365-I388 HydrophobicContact CG2-CD1 3.81Å; G366-I388 VanDerWaalsContact O-CD1 3.27Å; G366-I388 WeakPolarHBondContact O-CD1 3.43Å; Q368-I388 PolarHBondContact O-N 2.78Å; Y370-I388 HydrophobicContact CD1-CG1 3.96Å
389G76.1Confident89Confident19 Ų1925.9 Ų25.920%0.19614%0.139CC..SBendtrans-71.1155.1169.400000112.8T387 H391 H434T387-G389 VanDerWaalsContact CB-O 3.24Å; T387-G389 WeakPolarHBondContact CB-O 3.28Å; T387-G389 PolarHBondContact OG1-O 2.97Å; G389-H391 VanDerWaalsContact C-N 3.29Å; G389-H391 PolarHBondContact O-N 3.36Å; G389-H434 PolarHBondContact O-NE2 3.11Å
390H78.2Confident88.2Confident65 Ų6527.9 Ų27.930%0.30114%0.144SC..  trans-82.669.6179.3-163.268.5000111.8H345 C351 Q433 H434H345-H390 AromaticContact CD2-CD2 3.39Å; H345-H390 PolarHBondContact CD2-CD2 2.98Å; H345-H390 AromaticContact CD2-CG 3.87Å; H345-H390 AromaticContact CD2-NE2 3.61Å; H345-H390 AromaticContact NE2-CD2 3.25Å; H345-H390 PolarHBondContact NE2-CD2 2.73Å; H345-H390 VanDerWaalsContact NE2-CD2 3.25Å; H345-H390 AromaticContact NE2-CG 3.76Å; H345-H390 AromaticContact NE2-NE2 3.96Å; C351-H390 PolarHBondContact SG-ND1 2.93Å; H390-Q433 PolarHBondContact CE1-O 3.01Å; H390-Q433 VanDerWaalsContact CE1-O 3.3Å; H390-Q433 PolarHBondContact NE2-O 3.4Å; H390-H434 AromaticContact CE1-CE1 3.55Å; H390-H434 AromaticContact ND1-CE1 2.95Å; H390-H434 PolarHBondContact ND1-CE1 2.87Å; H390-H434 AromaticContact ND1-ND1 3.42Å; H390-H434 PolarHBondContact ND1-ND1 3.38Å
391H83.2Confident87.7Confident34 Ų3424.1 Ų24.116%0.15712%0.12CC..  trans-91.7141.1172-57.2-83.8000109.2T387 G389 S396 P398 H434 Y435T387-H391 HydrophobicContact CG2-CB 4.34Å; G389-H391 VanDerWaalsContact C-N 3.29Å; G389-H391 PolarHBondContact O-N 3.36Å; H391-S396 PolarHBondContact ND1-O 2.84Å; H391-P398 WeakPolarHBondContact CE1-CD 3.46Å; H391-H434 CarbonylContact O-C 3.59Å; H391-H434 VanDerWaalsContact O-CA 3.25Å; H391-H434 WeakPolarHBondContact O-CA 3Å; H391-Y435 PolarHBondContact O-N 3.29Å
392Q83.2Confident87.6Confident73 Ų7325 Ų2534%0.34112%0.123SC..  trans-82.8-36.7-175.9-175.2177.136.800113.3S396 T432 H434Q392-S396 PolarHBondContact N-OG 3.41Å; Q392-S396 VanDerWaalsContact N-OG 3.07Å; Q392-T432 HydrophobicContact CG-CG2 4.28Å; Q392-T432 WeakPolarHBondContact CG-O 3.48Å; Q392-T432 PolarHBondContact NE2-O 3.26Å; Q392-H434 CarbonylContact O-C 3.49Å
393S89.1Confident87.3Confident0 Ų028.2 Ų28.20%015%0.145CC..SBendtrans-156.8163.7-166.362.40000111.5M395 S396 C397 E427S393-M395 VanDerWaalsContact C-N 3.25Å; S393-M395 PolarHBondContact O-N 3.47Å; S393-S396 PolarHBondContact N-OG 2.6Å; S393-S396 CarbonylContact O-C 3.54Å; S393-S396 WeakPolarHBondContact O-CA 3.44Å; S393-S396 PolarHBondContact O-N 2.95Å; S393-S396 PolarHBondContact O-OG 2.96Å; S393-S396 PolarHBondContact OG-OG 3.08Å; S393-C397 PolarHBondContact O-N 3.08Å; S393-C397 PolarHBondContact O-SG 3.45Å; S393-C397 VanDerWaalsContact O-SG 3.41Å; S393-E427 WeakPolarHBondContact CA-OE1 3.33Å; S393-E427 WeakPolarHBondContact CB-OE1 3.2Å
394W91.9Very high87Confident24 Ų2429.5 Ų29.59%0.09115%0.151CC..G310 helixtrans-51.8-42.2177.1177.5-95.4000113.4S396 C397 R402 I405 E406 E427 Y435 L477 Y487W394-S396 PolarHBondContact O-N 3.46Å; W394-C397 WeakPolarHBondContact O-CB 3.41Å; W394-C397 PolarHBondContact O-N 3.04Å; W394-C397 VanDerWaalsContact O-N 3.11Å; W394-R402 HydrophobicContact CD2-CG 4.26Å; W394-R402 HydrophobicContact CE3-CG 4.18Å; W394-R402 HydrophobicContact CH2-CB 3.53Å; W394-R402 HydrophobicContact CH2-CG 3.69Å; W394-R402 HydrophobicContact CZ2-CB 3.9Å; W394-R402 HydrophobicContact CZ2-CG 3.73Å; W394-R402 HydrophobicContact CZ3-CB 3.98Å; W394-R402 HydrophobicContact CZ3-CG 3.9Å; W394-R402 PolarHBondContact O-NE 2.95Å; W394-R402 PolarHBondContact O-NH2 3.44Å; W394-R402 VanDerWaalsContact O-NH2 3.08Å; W394-I405 HydrophobicContact CZ3-CB 4.14Å; W394-I405 HydrophobicContact CZ3-CD1 4.28Å; W394-I405 HydrophobicContact CZ3-CG2 3.84Å; W394-E406 HydrophobicContact CH2-CG 4.06Å; W394-E406 WeakPolarHBondContact CH2-OE1 3.21Å; W394-E427 WeakPolarHBondContact CB-OE2 3.44Å; W394-E427 PolarHBondContact N-OE1 2.96Å; W394-Y435 HydrophobicContact CB-CE2 3.92Å; W394-Y435 HydrophobicContact CE3-CE2 4.4Å; W394-L477 HydrophobicContact CB-CD1 4.48Å; W394-L477 HydrophobicContact CG-CD1 4.09Å; W394-Y487 PolarHBondContact N-OH 2.99Å
395M86.2Confident86.9Confident13 Ų1329.2 Ų29.26%0.06415%0.149CC..G310 helixtrans-63.5-19.2177.1-68.8-166.3-8200113.9S393 D478 C481 R482 V483 Y487S393-M395 VanDerWaalsContact C-N 3.25Å; S393-M395 PolarHBondContact O-N 3.47Å; M395-D478 WeakPolarHBondContact CG-OD1 3.29Å; M395-C481 HydrophobicContact CE-CB 3.73Å; M395-C481 WeakPolarHBondContact CE-SG 3.41Å; M395-C481 HydrophobicContact SD-CB 3.53Å; M395-C481 VanDerWaalsContact SD-CB 3.53Å; M395-R482 VanDerWaalsContact CE-O 3.23Å; M395-R482 WeakPolarHBondContact CE-O 3.4Å; M395-R482 VanDerWaalsContact SD-CA 3.58Å; M395-R482 PolarHBondContact SD-N 2.66Å; M395-R482 VanDerWaalsContact SD-N 3.36Å; M395-V483 HydrophobicContact CB-CG2 4.02Å; M395-V483 WeakPolarHBondContact O-CG2 3.48Å; M395-Y487 HydrophobicContact CE-CD1 3.55Å; M395-Y487 HydrophobicContact CE-CE1 3.24Å
396S82.8Confident86.8Confident18 Ų1833 Ų3313%0.12617%0.167CC..G310 helixtrans-102.2-0.1176.961.50000114H391 Q392 S393 W394H391-S396 PolarHBondContact ND1-O 2.84Å; Q392-S396 PolarHBondContact N-OG 3.41Å; Q392-S396 VanDerWaalsContact N-OG 3.07Å; S393-S396 PolarHBondContact N-OG 2.6Å; S393-S396 CarbonylContact O-C 3.54Å; S393-S396 WeakPolarHBondContact O-CA 3.44Å; S393-S396 PolarHBondContact O-N 2.95Å; S393-S396 PolarHBondContact O-OG 2.96Å; S393-S396 PolarHBondContact OG-OG 3.08Å; W394-S396 PolarHBondContact O-N 3.46Å
397C84.5Confident86.8Confident4 Ų435.7 Ų35.73%0.02718%0.179CC..SBendtrans-84.7123.5171.2-63.70000109.2S393 W394 V401 R402S393-C397 PolarHBondContact O-N 3.08Å; S393-C397 PolarHBondContact O-SG 3.45Å; S393-C397 VanDerWaalsContact O-SG 3.41Å; W394-C397 WeakPolarHBondContact O-CB 3.41Å; W394-C397 PolarHBondContact O-N 3.04Å; W394-C397 VanDerWaalsContact O-N 3.11Å; C397-V401 HydrophobicContact CB-CB 4.24Å; C397-V401 HydrophobicContact CB-CG1 4.23Å; C397-R402 HydrophobicContact CB-CG 3.99Å; C397-R402 PolarHBondContact O-NE 2.85Å
398P81.8Confident87.1Confident21 Ų2135.9 Ų35.914%0.13618%0.18CC..  trans-61.6162.5167.8-24.535.2000112.7H391 Y400 V401 R402H391-P398 WeakPolarHBondContact CE1-CD 3.46Å; P398-Y400 HydrophobicContact CB-CD1 3.75Å; P398-Y400 HydrophobicContact CB-CE1 3.29Å; P398-Y400 HydrophobicContact CG-CE1 3.86Å; P398-Y400 PolarHBondContact O-N 3.06Å; P398-V401 HydrophobicContact CB-CG2 4.46Å; P398-V401 HydrophobicContact CG-CG2 4.47Å; P398-V401 WeakPolarHBondContact O-CB 3.49Å; P398-V401 PolarHBondContact O-N 3.19Å; P398-R402 PolarHBondContact O-N 3.41Å
399E85Confident87.6Confident122 Ų12235 Ų3557%0.5718%0.175SC*.Hα-helixtrans-57.9-42.3-172.6-164.261.9-165.200113.7V401 R402 S403E399-V401 PolarHBondContact O-N 3.14Å; E399-R402 WeakPolarHBondContact O-CA 3.39Å; E399-R402 WeakPolarHBondContact O-CB 3.42Å; E399-R402 PolarHBondContact O-N 3.23Å; E399-R402 WeakPolarHBondContact OE2-CD 3.2Å; E399-R402 IonicContact OE2-NH1 2.73Å; E399-S403 PolarHBondContact O-N 3.44Å; E399-S403 PolarHBondContact O-OG 3.4Å
400Y80.9Confident88.6Confident68 Ų6836.6 Ų36.627%0.26718%0.183SC..Hα-helixtrans-64.7-24.7178.367-89.7000113.3E132 Q368 P398E132-Y400 HydrophobicContact CG-CD1 4.49Å; E132-Y400 HydrophobicContact CG-CE1 3.44Å; E132-Y400 VanDerWaalsContact CG-CE1 3.44Å; Q368-Y400 HydrophobicContact CG-CD2 3.82Å; Q368-Y400 HydrophobicContact CG-CE2 4.1Å; P398-Y400 HydrophobicContact CB-CD1 3.75Å; P398-Y400 HydrophobicContact CB-CE1 3.29Å; P398-Y400 HydrophobicContact CG-CE1 3.86Å; P398-Y400 PolarHBondContact O-N 3.06Å
401V84.7Confident89.4Confident0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-78.9-39.4172.1-172.80000110.2Q368 T387 C397 P398 E399 I405Q368-V401 HydrophobicContact CB-CB 4.41Å; Q368-V401 HydrophobicContact CB-CG1 4.26Å; Q368-V401 HydrophobicContact CB-CG2 4.23Å; T387-V401 HydrophobicContact CG2-CG1 3.53Å; C397-V401 HydrophobicContact CB-CB 4.24Å; C397-V401 HydrophobicContact CB-CG1 4.23Å; P398-V401 HydrophobicContact CB-CG2 4.46Å; P398-V401 HydrophobicContact CG-CG2 4.47Å; P398-V401 WeakPolarHBondContact O-CB 3.49Å; P398-V401 PolarHBondContact O-N 3.19Å; E399-V401 PolarHBondContact O-N 3.14Å; V401-I405 HydrophobicContact CG1-CD1 4.03Å; V401-I405 WeakPolarHBondContact O-CD1 3.39Å; V401-I405 VanDerWaalsContact O-CG1 3.28Å; V401-I405 WeakPolarHBondContact O-CG1 3.26Å; V401-I405 PolarHBondContact O-N 3.38Å
402R92.3Very high90.1Very high27 Ų2732.4 Ų32.410%0.10216%0.163CC..Hα-helixtrans-62.3-41.1175.6-66.4173.8176.6-174.9-7.8112W394 C397 P398 E399 E404 I405 E406 D478W394-R402 HydrophobicContact CD2-CG 4.26Å; W394-R402 HydrophobicContact CE3-CG 4.18Å; W394-R402 HydrophobicContact CH2-CB 3.53Å; W394-R402 HydrophobicContact CH2-CG 3.69Å; W394-R402 HydrophobicContact CZ2-CB 3.9Å; W394-R402 HydrophobicContact CZ2-CG 3.73Å; W394-R402 HydrophobicContact CZ3-CB 3.98Å; W394-R402 HydrophobicContact CZ3-CG 3.9Å; W394-R402 PolarHBondContact O-NE 2.95Å; W394-R402 PolarHBondContact O-NH2 3.44Å; W394-R402 VanDerWaalsContact O-NH2 3.08Å; C397-R402 HydrophobicContact CB-CG 3.99Å; C397-R402 PolarHBondContact O-NE 2.85Å; P398-R402 PolarHBondContact O-N 3.41Å; E399-R402 WeakPolarHBondContact O-CA 3.39Å; E399-R402 WeakPolarHBondContact O-CB 3.42Å; E399-R402 PolarHBondContact O-N 3.23Å; E399-R402 WeakPolarHBondContact OE2-CD 3.2Å; E399-R402 IonicContact OE2-NH1 2.73Å; R402-E404 PolarHBondContact O-N 2.87Å; R402-I405 PolarHBondContact O-N 2.81Å; R402-E406 PolarHBondContact O-N 3.19Å; R402-D478 IonicContact CZ-OD1 3.72Å; R402-D478 IonicContact CZ-OD2 3.96Å; R402-D478 VanDerWaalsContact CZ-OD2 3.23Å; R402-D478 IonicContact NH1-OD2 2.61Å; R402-D478 PolarHBondContact NH1-OD2 2.98Å; R402-D478 VanDerWaalsContact NH2-CG 3.33Å; R402-D478 IonicContact NH2-OD1 3.48Å; R402-D478 PolarHBondContact NH2-OD1 2.85Å; R402-D478 IonicContact NH2-OD2 3.28Å; R402-D478 PolarHBondContact NH2-OD2 2.71Å
403S91.1Very high90.7Very high66 Ų6634.8 Ų34.846%0.46217%0.173SC..Hα-helixtrans-57.7-49.1178.4-530000112.1E399 I405 E406 E407E399-S403 PolarHBondContact O-N 3.44Å; E399-S403 PolarHBondContact O-OG 3.4Å; S403-I405 VanDerWaalsContact C-N 3.33Å; S403-I405 PolarHBondContact O-N 2.97Å; S403-E406 PolarHBondContact O-N 3.36Å; S403-E407 PolarHBondContact O-N 3.39Å
404E91.2Very high91Very high28 Ų2839 Ų3913%0.13119%0.189CC..Hα-helixtrans-69.9-29.3179.6-156.3-178.2-106.900112.1T367 Q368 A369 R402 E407 Y408T367-E404 WeakPolarHBondContact CA-OE1 3.45Å; T367-E404 VanDerWaalsContact CB-OE1 3.28Å; T367-E404 WeakPolarHBondContact CB-OE1 3.17Å; T367-E404 PolarHBondContact N-OE1 2.92Å; T367-E404 PolarHBondContact N-OE2 3.45Å; T367-E404 VanDerWaalsContact N-OE2 3.16Å; T367-E404 PolarHBondContact OG1-OE1 3.31Å; Q368-E404 WeakPolarHBondContact CA-OE2 3.11Å; Q368-E404 PolarHBondContact N-OE2 2.59Å; A369-E404 PolarHBondContact N-OE2 3.48Å; R402-E404 PolarHBondContact O-N 2.87Å; E404-E407 PolarHBondContact O-N 2.91Å; E404-Y408 HydrophobicContact CG-CD2 4.43Å; E404-Y408 HydrophobicContact CG-CE2 4.41Å; E404-Y408 WeakPolarHBondContact O-CD2 3.14Å; E404-Y408 PolarHBondContact O-N 2.72Å
405I95.3Very high91.3Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-65.5-44.8170.1-67.1160.8000111.1A369 I385 T387 W394 V401 R402 S403 E407 Y408 K409 Y435 L437A369-I405 HydrophobicContact CB-CG1 3.97Å; I385-I405 HydrophobicContact CG2-CB 4.41Å; I385-I405 HydrophobicContact CG2-CG1 4.07Å; I385-I405 HydrophobicContact CG2-CG2 4.15Å; T387-I405 HydrophobicContact CG2-CD1 4.16Å; W394-I405 HydrophobicContact CZ3-CB 4.14Å; W394-I405 HydrophobicContact CZ3-CD1 4.28Å; W394-I405 HydrophobicContact CZ3-CG2 3.84Å; V401-I405 HydrophobicContact CG1-CD1 4.03Å; V401-I405 WeakPolarHBondContact O-CD1 3.39Å; V401-I405 VanDerWaalsContact O-CG1 3.28Å; V401-I405 WeakPolarHBondContact O-CG1 3.26Å; V401-I405 PolarHBondContact O-N 3.38Å; R402-I405 PolarHBondContact O-N 2.81Å; S403-I405 VanDerWaalsContact C-N 3.33Å; S403-I405 PolarHBondContact O-N 2.97Å; I405-E407 VanDerWaalsContact C-N 3.32Å; I405-Y408 PolarHBondContact O-N 2.89Å; I405-K409 HydrophobicContact CG2-CD 4.19Å; I405-K409 VanDerWaalsContact O-CG 3.28Å; I405-K409 WeakPolarHBondContact O-CG 3.25Å; I405-K409 PolarHBondContact O-N 2.64Å; I405-Y435 HydrophobicContact CD1-CD1 4.02Å; I405-Y435 HydrophobicContact CD1-CE1 3.55Å; I405-Y435 HydrophobicContact CG1-CE1 4.22Å; I405-Y435 HydrophobicContact CG2-CE1 4.25Å; I405-L437 HydrophobicContact CG2-CD2 4.29Å
406E94.8Very high91.8Very high79 Ų7937.3 Ų37.337%0.36918%0.182SC..Hα-helixtrans-65.8-34.2175.2-69.3-57.4144.600112.4W394 R402 S403 K409 S410W394-E406 HydrophobicContact CH2-CG 4.06Å; W394-E406 WeakPolarHBondContact CH2-OE1 3.21Å; R402-E406 PolarHBondContact O-N 3.19Å; S403-E406 PolarHBondContact O-N 3.36Å; E406-K409 WeakPolarHBondContact O-CB 3.39Å; E406-K409 PolarHBondContact O-N 3.38Å; E406-K409 IonicContact OE1-NZ 3.47Å; E406-K409 PolarHBondContact OE1-NZ 2.62Å; E406-K409 WeakPolarHBondContact OE2-CE 3.35Å; E406-K409 IonicContact OE2-NZ 2.81Å; E406-K409 PolarHBondContact OE2-NZ 3.25Å; E406-S410 PolarHBondContact O-N 3.3Å
407E94.9Very high92.4Very high59 Ų5938.9 Ų38.928%0.27620%0.196SC..Hα-helixtrans-65.1-48173.6-161.2-171.9163.800111.3S403 E404 I405 K409 S410 R411S403-E407 PolarHBondContact O-N 3.39Å; E404-E407 PolarHBondContact O-N 2.91Å; I405-E407 VanDerWaalsContact C-N 3.32Å; E407-K409 VanDerWaalsContact C-N 3.3Å; E407-K409 PolarHBondContact O-N 3.41Å; E407-S410 CarbonylContact O-C 3.56Å; E407-S410 WeakPolarHBondContact O-CA 3.48Å; E407-S410 VanDerWaalsContact O-CB 3.24Å; E407-S410 WeakPolarHBondContact O-CB 3.39Å; E407-S410 PolarHBondContact O-N 2.83Å; E407-R411 WeakPolarHBondContact O-CG 3.38Å; E407-R411 PolarHBondContact O-N 2.86Å; E407-R411 IonicContact OE1-CZ 2.68Å; E407-R411 IonicContact OE1-NE 3.89Å; E407-R411 PolarHBondContact OE1-NE 2.96Å; E407-R411 IonicContact OE1-NH2 2.57Å; E407-R411 PolarHBondContact OE1-NH2 3.5Å; E407-R411 IonicContact OE2-NH2 2.64Å
408Y96.6Very high92.9Very high5 Ų542.4 Ų42.42%0.0223%0.225CC..Hα-helixtrans-60.4-37.6173.1-87.2-55.6000112.7S364 I365 G366 A369 V371 E404 I405 S410 R411 L412 F554S364-Y408 PolarHBondContact OG-OH 3.23Å; I365-Y408 VanDerWaalsContact C-OH 3.26Å; I365-Y408 PolarHBondContact N-OH 2.95Å; G366-Y408 PolarHBondContact N-OH 3.07Å; A369-Y408 HydrophobicContact CB-CD2 4.21Å; A369-Y408 HydrophobicContact CB-CE2 4.34Å; V371-Y408 HydrophobicContact CG2-CD1 3.35Å; V371-Y408 HydrophobicContact CG2-CD2 4.31Å; V371-Y408 HydrophobicContact CG2-CE1 3.55Å; V371-Y408 HydrophobicContact CG2-CE2 4.44Å; V371-Y408 HydrophobicContact CG2-CG 3.76Å; E404-Y408 HydrophobicContact CG-CD2 4.43Å; E404-Y408 HydrophobicContact CG-CE2 4.41Å; E404-Y408 WeakPolarHBondContact O-CD2 3.14Å; E404-Y408 PolarHBondContact O-N 2.72Å; I405-Y408 PolarHBondContact O-N 2.89Å; Y408-S410 VanDerWaalsContact C-N 3.3Å; Y408-S410 PolarHBondContact O-N 3.42Å; Y408-R411 PolarHBondContact O-N 3.39Å; Y408-L412 WeakPolarHBondContact O-CB 3.46Å; Y408-L412 WeakPolarHBondContact O-CG 3.4Å; Y408-L412 PolarHBondContact O-N 3.04Å; Y408-F554 HydrophobicContact CD1-CE1 4.46Å; Y408-F554 HydrophobicContact CD1-CZ 4.11Å; Y408-F554 HydrophobicContact CE1-CE1 4.23Å; Y408-F554 HydrophobicContact CE1-CZ 4.3Å
409K96.8Very high93.5Very high10 Ų1044.6 Ų44.64%0.04323%0.233CC..Hα-helixtrans-60.6-39.4170.4-71.3166.271.9-157.20111.2I385 I405 E406 E407 K413 M423 L437 E491I385-K409 HydrophobicContact CD1-CB 4.49Å; I385-K409 HydrophobicContact CD1-CG 3.66Å; I405-K409 HydrophobicContact CG2-CD 4.19Å; I405-K409 VanDerWaalsContact O-CG 3.28Å; I405-K409 WeakPolarHBondContact O-CG 3.25Å; I405-K409 PolarHBondContact O-N 2.64Å; E406-K409 WeakPolarHBondContact O-CB 3.39Å; E406-K409 PolarHBondContact O-N 3.38Å; E406-K409 IonicContact OE1-NZ 3.47Å; E406-K409 PolarHBondContact OE1-NZ 2.62Å; E406-K409 WeakPolarHBondContact OE2-CE 3.35Å; E406-K409 IonicContact OE2-NZ 2.81Å; E406-K409 PolarHBondContact OE2-NZ 3.25Å; E407-K409 VanDerWaalsContact C-N 3.3Å; E407-K409 PolarHBondContact O-N 3.41Å; K409-K413 WeakPolarHBondContact O-CB 3.4Å; K409-K413 PolarHBondContact O-N 3.15Å; K409-M423 HydrophobicContact CB-CE 4.18Å; K409-M423 WeakPolarHBondContact O-CE 3.21Å; K409-L437 HydrophobicContact CD-CD2 3.62Å; K409-L437 HydrophobicContact CG-CD2 3.87Å; K409-E491 WeakPolarHBondContact CE-OE2 3.49Å; K409-E491 VanDerWaalsContact NZ-CD 3.27Å; K409-E491 IonicContact NZ-OE1 3.76Å; K409-E491 PolarHBondContact NZ-OE1 3.09Å; K409-E491 IonicContact NZ-OE2 2.76Å; K409-E491 PolarHBondContact NZ-OE2 2.93Å
410S95.7Very high94Very high53 Ų5340.6 Ų40.637%0.37123%0.225SC..Hα-helixtrans-65-50.5176.1-170.40000112.3E406 E407 Y408 K413 R414E406-S410 PolarHBondContact O-N 3.3Å; E407-S410 CarbonylContact O-C 3.56Å; E407-S410 WeakPolarHBondContact O-CA 3.48Å; E407-S410 VanDerWaalsContact O-CB 3.24Å; E407-S410 WeakPolarHBondContact O-CB 3.39Å; E407-S410 PolarHBondContact O-N 2.83Å; Y408-S410 VanDerWaalsContact C-N 3.3Å; Y408-S410 PolarHBondContact O-N 3.42Å; S410-K413 PolarHBondContact O-N 2.77Å; S410-R414 PolarHBondContact O-N 3.47Å
411R96.3Very high94.8Very high10 Ų1040 Ų404%0.03822%0.224CC..Hα-helixtrans-56.8-51176.9-64.5177.8-168.2-163.13.3111.6E407 Y408 K413 R414 M415 F554 F557 D558 N560E407-R411 WeakPolarHBondContact O-CG 3.38Å; E407-R411 PolarHBondContact O-N 2.86Å; E407-R411 IonicContact OE1-CZ 2.68Å; E407-R411 IonicContact OE1-NE 3.89Å; E407-R411 PolarHBondContact OE1-NE 2.96Å; E407-R411 IonicContact OE1-NH2 2.57Å; E407-R411 PolarHBondContact OE1-NH2 3.5Å; E407-R411 IonicContact OE2-NH2 2.64Å; Y408-R411 PolarHBondContact O-N 3.39Å; R411-K413 PolarHBondContact O-N 2.74Å; R411-R414 WeakPolarHBondContact O-CB 3.47Å; R411-R414 PolarHBondContact O-N 3.03Å; R411-M415 PolarHBondContact O-N 2.8Å; R411-F554 HydrophobicContact CB-CE2 3.76Å; R411-F554 HydrophobicContact CB-CZ 3.81Å; R411-F557 WeakPolarHBondContact CB-O 3.46Å; R411-F557 WeakPolarHBondContact CD-O 3.31Å; R411-F557 VanDerWaalsContact CG-O 3.25Å; R411-F557 WeakPolarHBondContact CG-O 3.38Å; R411-D558 IonicContact NH1-OD1 3.53Å; R411-D558 PolarHBondContact NH1-OD1 3.26Å; R411-N560 PolarHBondContact NH2-OD1 3.24Å
412L97Very high95.3Very high0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-63.1-40.4178-73172.5000112V371 A383 I385 Y408 R414 M415 Y416 M423 V439 F550 F554V371-L412 HydrophobicContact CG2-CD1 4.49Å; A383-L412 HydrophobicContact CB-CD1 4.38Å; I385-L412 HydrophobicContact CD1-CD1 4.07Å; I385-L412 HydrophobicContact CG1-CD1 4.07Å; Y408-L412 WeakPolarHBondContact O-CB 3.46Å; Y408-L412 WeakPolarHBondContact O-CG 3.4Å; Y408-L412 PolarHBondContact O-N 3.04Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 2.65Å; L412-M415 HydrophobicContact CD2-CE 4Å; L412-M415 WeakPolarHBondContact O-CB 3.47Å; L412-M415 PolarHBondContact O-N 2.94Å; L412-Y416 HydrophobicContact CB-CD2 4.32Å; L412-Y416 HydrophobicContact CB-CE2 3.87Å; L412-Y416 HydrophobicContact CD2-CE2 4.44Å; L412-Y416 WeakPolarHBondContact O-CD2 3.3Å; L412-Y416 PolarHBondContact O-N 2.94Å; L412-M423 HydrophobicContact CB-SD 4.15Å; L412-V439 HydrophobicContact CD1-CG1 4.13Å; L412-V439 HydrophobicContact CD1-CG2 4.49Å; L412-F550 HydrophobicContact CD2-CE1 4.09Å; L412-F550 HydrophobicContact CD2-CZ 3.75Å; L412-F554 HydrophobicContact CD2-CD2 3.76Å; L412-F554 HydrophobicContact CD2-CE2 3.58Å; L412-F554 HydrophobicContact CD2-CZ 4.23Å; L412-F554 HydrophobicContact CG-CE2 3.91Å; L412-F554 HydrophobicContact CG-CZ 4.35Å
413K96Very high95.6Very high123 Ų12340.1 Ų40.154%0.53523%0.227SC..Hα-helixtrans-62.5-38175.5-173.6176.9-178.1178.20112.6K409 S410 R411 A417 M423K409-K413 WeakPolarHBondContact O-CB 3.4Å; K409-K413 PolarHBondContact O-N 3.15Å; S410-K413 PolarHBondContact O-N 2.77Å; R411-K413 PolarHBondContact O-N 2.74Å; K413-A417 VanDerWaalsContact O-CB 3.27Å; K413-A417 WeakPolarHBondContact O-CB 3.4Å; K413-A417 PolarHBondContact O-N 2.88Å; K413-A417 VanDerWaalsContact O-N 3.08Å; K413-M423 HydrophobicContact CB-CE 3.89Å; K413-M423 HydrophobicContact CB-SD 4.09Å; K413-M423 HydrophobicContact CD-CE 4.4Å; K413-M423 HydrophobicContact CG-CE 4.41Å
414R95.8Very high95.9Very high89 Ų8937 Ų3734%0.33621%0.205SC..Hα-helixtrans-61.2-48.7170.9-73.4-173.6-82166.6-8.1110.9S410 R411 L412 A417 A418 F557 D561S410-R414 PolarHBondContact O-N 3.47Å; R411-R414 WeakPolarHBondContact O-CB 3.47Å; R411-R414 PolarHBondContact O-N 3.03Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 2.65Å; R414-A417 PolarHBondContact O-N 2.87Å; R414-A418 PolarHBondContact O-N 3.11Å; R414-A418 VanDerWaalsContact O-N 3.14Å; R414-F557 HydrophobicContact CB-CD1 3.61Å; R414-F557 HydrophobicContact CB-CE1 3.95Å; R414-D561 IonicContact CZ-OD1 2.73Å; R414-D561 IonicContact CZ-OD2 2.71Å; R414-D561 IonicContact NH1-OD1 3.95Å; R414-D561 PolarHBondContact NH1-OD1 3.11Å; R414-D561 IonicContact NH1-OD2 2.9Å; R414-D561 IonicContact NH2-OD1 3.32Å; R414-D561 PolarHBondContact NH2-OD1 3.23Å; R414-D561 IonicContact NH2-OD2 2.66Å; R414-D561 PolarHBondContact NH2-OD2 2.94Å
415M96.8Very high96.2Very high1 Ų135.8 Ų35.81%0.00520%0.199CC..Hα-helixtrans-57.9-50.8178.5-172.8-167.265.600112.4R411 L412 A417 A418 Q419 F550 M553 F554 F557R411-M415 PolarHBondContact O-N 2.8Å; L412-M415 HydrophobicContact CD2-CE 4Å; L412-M415 WeakPolarHBondContact O-CB 3.47Å; L412-M415 PolarHBondContact O-N 2.94Å; M415-A417 PolarHBondContact O-N 2.89Å; M415-A418 PolarHBondContact O-N 2.96Å; M415-Q419 PolarHBondContact O-N 2.95Å; M415-F550 HydrophobicContact CE-CE1 4.27Å; M415-F550 HydrophobicContact CE-CE2 3.97Å; M415-F550 HydrophobicContact CE-CZ 3.61Å; M415-F550 HydrophobicContact SD-CZ 4.4Å; M415-M553 HydrophobicContact SD-CB 4Å; M415-F554 HydrophobicContact CB-CD2 4.49Å; M415-F554 HydrophobicContact SD-CB 3.88Å; M415-F554 HydrophobicContact SD-CD2 3.88Å; M415-F554 HydrophobicContact SD-CG 4.37Å; M415-F557 HydrophobicContact CB-CB 4.46Å; M415-F557 HydrophobicContact CB-CD1 4.42Å; M415-F557 HydrophobicContact CB-CD2 3.6Å; M415-F557 HydrophobicContact CB-CE2 3.88Å; M415-F557 HydrophobicContact CB-CG 3.9Å; M415-F557 HydrophobicContact CB-CZ 4.4Å; M415-F557 HydrophobicContact CG-CD2 3.71Å; M415-F557 HydrophobicContact CG-CE2 3.78Å; M415-F557 HydrophobicContact CG-CG 4.5Å
416Y97.2Very high96.4Very high1 Ų136.1 Ų36.10%0.00420%0.201CC..Hα-helixtrans-66-39.2-178.8-62.9-50.8000112.5D381 L412 A418 Q419 G420 K421 M423 V439 P441D381-Y416 HydrophobicContact CB-CE1 4.11Å; D381-Y416 WeakPolarHBondContact O-CE1 3.28Å; D381-Y416 PolarHBondContact O-OH 3.35Å; D381-Y416 WeakPolarHBondContact OD2-CD1 3.44Å; D381-Y416 WeakPolarHBondContact OD2-CE1 3.38Å; L412-Y416 HydrophobicContact CB-CD2 4.32Å; L412-Y416 HydrophobicContact CB-CE2 3.87Å; L412-Y416 HydrophobicContact CD2-CE2 4.44Å; L412-Y416 WeakPolarHBondContact O-CD2 3.3Å; L412-Y416 PolarHBondContact O-N 2.94Å; Y416-A418 VanDerWaalsContact C-N 3.31Å; Y416-A418 PolarHBondContact O-N 3.32Å; Y416-Q419 CarbonylContact O-C 3.57Å; Y416-Q419 WeakPolarHBondContact O-CA 3.46Å; Y416-Q419 PolarHBondContact O-N 3Å; Y416-G420 PolarHBondContact O-N 2.88Å; Y416-K421 CarbonylContact C-O 3.55Å; Y416-K421 PolarHBondContact O-N 3.15Å; Y416-K421 VanDerWaalsContact O-O 3.06Å; Y416-M423 HydrophobicContact CD2-CB 4.02Å; Y416-M423 HydrophobicContact CD2-CG 3.92Å; Y416-M423 HydrophobicContact CD2-SD 4.02Å; Y416-M423 HydrophobicContact CE2-CG 4.06Å; Y416-M423 HydrophobicContact CE2-SD 4.06Å; Y416-V439 HydrophobicContact CE2-CG1 3.74Å; Y416-P441 HydrophobicContact CD1-CB 3.47Å; Y416-P441 VanDerWaalsContact CD1-CB 3.47Å; Y416-P441 HydrophobicContact CD1-CG 3.87Å; Y416-P441 HydrophobicContact CD2-CB 4.29Å; Y416-P441 HydrophobicContact CE1-CB 3.59Å; Y416-P441 HydrophobicContact CE1-CG 3.47Å; Y416-P441 VanDerWaalsContact CE1-CG 3.47Å; Y416-P441 HydrophobicContact CE2-CB 4.4Å; Y416-P441 HydrophobicContact CG-CB 3.85Å
417A95.3Very high96.4Very high51 Ų5132.6 Ų32.642%0.42118%0.184SC..Hα-helixtrans-60.8-40.3176.900000111.9K413 R414 M415 Q419 G420 K421 F444K413-A417 VanDerWaalsContact O-CB 3.27Å; K413-A417 WeakPolarHBondContact O-CB 3.4Å; K413-A417 PolarHBondContact O-N 2.88Å; K413-A417 VanDerWaalsContact O-N 3.08Å; R414-A417 PolarHBondContact O-N 2.87Å; M415-A417 PolarHBondContact O-N 2.89Å; A417-Q419 PolarHBondContact O-N 2.99Å; A417-G420 PolarHBondContact O-N 2.88Å; A417-G420 VanDerWaalsContact O-N 3.1Å; A417-K421 PolarHBondContact N-O 3.25Å; A417-F444 HydrophobicContact CB-CZ 4.4Å
418A95.3Very high96.3Very high77 Ų7731.4 Ų31.464%0.63618%0.177SC*.Hα-helixtrans-63.5-24.5174.300000113.4R414 M415 Y416 F557R414-A418 PolarHBondContact O-N 3.11Å; R414-A418 VanDerWaalsContact O-N 3.14Å; M415-A418 PolarHBondContact O-N 2.96Å; Y416-A418 VanDerWaalsContact C-N 3.31Å; Y416-A418 PolarHBondContact O-N 3.32Å; A418-F557 HydrophobicContact CB-CZ 3.93Å
419Q95Very high96Very high67 Ų6731.5 Ų31.531%0.31318%0.178SC..THydrogen-bonded Turntrans-89.73.6175-62-175.621.800114.1D381 M415 Y416 A417 K421 M553D381-Q419 PolarHBondContact OD2-OE1 3.3Å; M415-Q419 PolarHBondContact O-N 2.95Å; Y416-Q419 CarbonylContact O-C 3.57Å; Y416-Q419 WeakPolarHBondContact O-CA 3.46Å; Y416-Q419 PolarHBondContact O-N 3Å; A417-Q419 PolarHBondContact O-N 2.99Å; Q419-K421 VanDerWaalsContact C-N 3.32Å; Q419-K421 HydrophobicContact CB-CD 4.15Å; Q419-K421 HydrophobicContact CB-CG 4.27Å; Q419-M553 PolarHBondContact NE2-SD 3.05Å; Q419-M553 VanDerWaalsContact NE2-SD 3.44Å
420G95.3Very high95.4Very high39 Ų3931.2 Ų31.240%0.40218%0.177SC..THydrogen-bonded Turntrans7323.4-174.300000114Y416 A417 F444Y416-G420 PolarHBondContact O-N 2.88Å; A417-G420 PolarHBondContact O-N 2.88Å; A417-G420 VanDerWaalsContact O-N 3.1Å; G420-F444 VanDerWaalsContact C-CE2 3.5Å; G420-F444 WeakPolarHBondContact O-CD2 3.45Å; G420-F444 PolarHBondContact O-N 3.02Å
421K97.1Very high94.4Very high55 Ų5534.6 Ų34.624%0.23919%0.185CC..EExtended strand (participates in β ladder)trans-114.4148.9-179.7-60172.5-174.3168.90111.1D381 Y416 A417 Q419 P441 V442 F444D381-K421 IonicContact OD1-NZ 3.79Å; D381-K421 PolarHBondContact OD1-NZ 2.8Å; D381-K421 WeakPolarHBondContact OD2-CD 3.35Å; D381-K421 IonicContact OD2-NZ 3.74Å; D381-K421 PolarHBondContact OD2-NZ 3.37Å; Y416-K421 CarbonylContact C-O 3.55Å; Y416-K421 PolarHBondContact O-N 3.15Å; Y416-K421 VanDerWaalsContact O-O 3.06Å; A417-K421 PolarHBondContact N-O 3.25Å; Q419-K421 VanDerWaalsContact C-N 3.32Å; Q419-K421 HydrophobicContact CB-CD 4.15Å; Q419-K421 HydrophobicContact CB-CG 4.27Å; K421-P441 HydrophobicContact CB-CB 4.1Å; K421-P441 HydrophobicContact CD-CB 4.01Å; K421-P441 HydrophobicContact CD-CG 4.44Å; K421-V442 CarbonylContact C-O 3.52Å; K421-V442 WeakPolarHBondContact CA-O 3.49Å; K421-F444 VanDerWaalsContact O-CZ 3.26Å; K421-F444 WeakPolarHBondContact O-CZ 3.45Å
422A96.4Very high93.6Very high5 Ų534.9 Ų34.94%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-104.9139.8174.700000109.9P441 V442 F444 A447 P493A422-P441 WeakPolarHBondContact O-CA 3.48Å; A422-V442 HydrophobicContact CB-CG2 4.23Å; A422-V442 PolarHBondContact N-O 3.1Å; A422-V442 PolarHBondContact O-N 3.22Å; A422-F444 HydrophobicContact CB-CD1 3.5Å; A422-F444 HydrophobicContact CB-CE1 3.58Å; A422-F444 HydrophobicContact CB-CG 4.41Å; A422-A447 HydrophobicContact CB-CB 3.87Å; A422-P493 HydrophobicContact CB-CB 3.74Å; A422-P493 HydrophobicContact CB-CG 4.08Å
423M97.4Very high92.5Very high25 Ų2538 Ų3812%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-88.3131.9-177.5-168.7174.775.100111.6K409 L412 K413 Y416 T425 V439K409-M423 HydrophobicContact CB-CE 4.18Å; K409-M423 WeakPolarHBondContact O-CE 3.21Å; L412-M423 HydrophobicContact CB-SD 4.15Å; K413-M423 HydrophobicContact CB-CE 3.89Å; K413-M423 HydrophobicContact CB-SD 4.09Å; K413-M423 HydrophobicContact CD-CE 4.4Å; K413-M423 HydrophobicContact CG-CE 4.41Å; Y416-M423 HydrophobicContact CD2-CB 4.02Å; Y416-M423 HydrophobicContact CD2-CG 3.92Å; Y416-M423 HydrophobicContact CD2-SD 4.02Å; Y416-M423 HydrophobicContact CE2-CG 4.06Å; Y416-M423 HydrophobicContact CE2-SD 4.06Å; M423-T425 HydrophobicContact CE-CG2 3.77Å; M423-T425 HydrophobicContact CG-CG2 4.02Å; M423-T425 HydrophobicContact SD-CG2 4.13Å; M423-V439 HydrophobicContact CG-CG1 3.71Å; M423-V439 HydrophobicContact SD-CG1 3.6Å; M423-V439 VanDerWaalsContact SD-CG1 3.6Å
424V98.1Very high92Very high0 Ų032.1 Ų32.10%018%0.177CC..EExtended strand (participates in β ladder)trans-111.7136.8163.5-166.60000107.6V440 V442 V450 F454 V490 E491 P493 L519V424-V440 PolarHBondContact N-O 2.69Å; V424-V440 PolarHBondContact O-N 3.42Å; V424-V442 HydrophobicContact CG2-CG1 3.87Å; V424-V442 HydrophobicContact CG2-CG2 3.98Å; V424-V450 HydrophobicContact CG1-CG1 4.3Å; V424-V450 HydrophobicContact CG2-CG1 4.05Å; V424-V450 HydrophobicContact CG2-CG2 4.48Å; V424-F454 HydrophobicContact CG1-CE2 4.22Å; V424-V490 HydrophobicContact CG1-CG2 3.83Å; V424-E491 WeakPolarHBondContact CG1-O 3.41Å; V424-P493 HydrophobicContact CG2-CG 3.89Å; V424-L519 HydrophobicContact CB-CD2 4.38Å; V424-L519 HydrophobicContact CG1-CD2 4.27Å; V424-L519 HydrophobicContact CG2-CD2 4.15Å
425T98.1Very high91.9Very high2 Ų228.1 Ų28.11%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-125.2140.3171.9740000111.2M423 L437 Q438 V439 V490 E491M423-T425 HydrophobicContact CE-CG2 3.77Å; M423-T425 HydrophobicContact CG-CG2 4.02Å; M423-T425 HydrophobicContact SD-CG2 4.13Å; T425-L437 HydrophobicContact CG2-CD2 4.41Å; T425-Q438 CarbonylContact C-O 3.53Å; T425-Q438 WeakPolarHBondContact CA-O 3.48Å; T425-V439 HydrophobicContact CG2-CB 4.46Å; T425-V439 HydrophobicContact CG2-CG1 4.19Å; T425-V439 HydrophobicContact CG2-CG2 4.02Å; T425-V490 CarbonylContact O-C 3.54Å; T425-V490 VanDerWaalsContact O-CA 3.3Å; T425-V490 WeakPolarHBondContact O-CA 3.4Å; T425-V490 WeakPolarHBondContact O-CG2 3.36Å; T425-E491 PolarHBondContact N-O 2.95Å; T425-E491 VanDerWaalsContact N-O 3.11Å; T425-E491 PolarHBondContact O-N 2.64Å; T425-E491 WeakPolarHBondContact OG1-CB 3.33Å
426F97.7Very high91.7Very high8 Ų829.1 Ų29.14%0.03517%0.166CC..EExtended strand (participates in β ladder)trans-140.3145.2175.268.9-89.7000113.7Q438 V440 F488 F489 V490 R516 L519F426-Q438 HydrophobicContact CD1-CB 3.92Å; F426-Q438 HydrophobicContact CD2-CB 4.1Å; F426-Q438 HydrophobicContact CD2-CG 4.27Å; F426-Q438 HydrophobicContact CE1-CB 3.53Å; F426-Q438 HydrophobicContact CE1-CG 4.37Å; F426-Q438 HydrophobicContact CE2-CB 3.74Å; F426-Q438 HydrophobicContact CE2-CG 3.7Å; F426-Q438 HydrophobicContact CG-CB 4.19Å; F426-Q438 HydrophobicContact CZ-CB 3.43Å; F426-Q438 VanDerWaalsContact CZ-CB 3.43Å; F426-Q438 HydrophobicContact CZ-CG 3.76Å; F426-Q438 PolarHBondContact N-O 2.97Å; F426-Q438 PolarHBondContact O-N 3.43Å; F426-V440 HydrophobicContact CE1-CG2 4.03Å; F426-F488 HydrophobicContact CB-CE1 4.11Å; F426-F488 HydrophobicContact CB-CZ 3.9Å; F426-F488 AromaticContact CD2-CE2 3.92Å; F426-F488 HydrophobicContact CD2-CE2 3.92Å; F426-F488 AromaticContact CD2-CZ 3.57Å; F426-F488 HydrophobicContact CD2-CZ 3.57Å; F426-F488 HydrophobicContact CE2-CZ 4.39Å; F426-F488 AromaticContact CG-CZ 3.96Å; F426-F488 HydrophobicContact CG-CZ 3.96Å; F426-F489 CarbonylContact C-O 3.47Å; F426-F489 WeakPolarHBondContact CA-O 3.46Å; F426-F489 WeakPolarHBondContact CB-O 3.41Å; F426-V490 HydrophobicContact CB-CB 4.05Å; F426-V490 HydrophobicContact CB-CG2 4.22Å; F426-R516 HydrophobicContact CZ-CG 4.49Å; F426-L519 HydrophobicContact CD1-CD1 3.94Å; F426-L519 HydrophobicContact CE1-CD1 3.67Å
427E95.9Very high91.7Very high5 Ų529.2 Ų29.22%0.02317%0.167CC..EExtended strand (participates in β ladder)trans-119.1138.8175.8-168.2-163175.900109.7S393 W394 Y435 L437 Y487 F489S393-E427 WeakPolarHBondContact CA-OE1 3.33Å; S393-E427 WeakPolarHBondContact CB-OE1 3.2Å; W394-E427 WeakPolarHBondContact CB-OE2 3.44Å; W394-E427 PolarHBondContact N-OE1 2.96Å; E427-Y435 HydrophobicContact CG-CD2 4.39Å; E427-Y435 HydrophobicContact CG-CE2 3.99Å; E427-Y435 WeakPolarHBondContact OE1-CD2 3.26Å; E427-Y435 WeakPolarHBondContact OE1-CE2 3.12Å; E427-L437 HydrophobicContact CB-CD1 4.23Å; E427-Y487 HydrophobicContact CG-CE2 4.46Å; E427-Y487 PolarHBondContact OE1-OH 3.06Å; E427-Y487 WeakPolarHBondContact OE2-CE2 3.39Å; E427-Y487 VanDerWaalsContact OE2-CZ 3.25Å; E427-Y487 PolarHBondContact OE2-OH 3.38Å; E427-F489 HydrophobicContact CB-CB 4.4Å; E427-F489 HydrophobicContact CB-CD1 4.43Å; E427-F489 PolarHBondContact N-O 3.39Å; E427-F489 PolarHBondContact O-N 3.11Å
428R93.2Very high91.9Very high34 Ų3428 Ų2813%0.12815%0.153CC..EExtended strand (participates in β ladder)trans-125.584.6178-175.7-171.863.569.411.8110.5L430 F488 L512R428-L430 VanDerWaalsContact C-N 3.28Å; R428-L430 PolarHBondContact NH1-O 2.93Å; R428-L430 PolarHBondContact O-N 3.49Å; R428-F488 HydrophobicContact CB-CD2 4.03Å; R428-F488 HydrophobicContact CB-CE2 4.15Å; R428-F488 HydrophobicContact CG-CD2 4.05Å; R428-F488 HydrophobicContact CG-CE2 4.4Å; R428-L512 WeakPolarHBondContact CD-O 3.31Å; R428-L512 PolarHBondContact NE-O 2.84Å
429N90.8Very high92Very high6 Ų624.4 Ų24.43%0.03212%0.123CC..EExtended strand (participates in β ladder)trans-76.780173.1-177.423.3000110.9I485 P486 Y487N429-I485 PolarHBondContact ND2-O 3.3Å; N429-P486 CarbonylContact O-C 3.55Å; N429-P486 WeakPolarHBondContact O-CA 3.42Å; N429-P486 WeakPolarHBondContact O-CB 3.36Å; N429-Y487 HydrophobicContact CB-CD1 3.58Å; N429-Y487 HydrophobicContact CB-CD2 4.34Å; N429-Y487 HydrophobicContact CB-CE1 3.37Å; N429-Y487 HydrophobicContact CB-CE2 4.19Å; N429-Y487 HydrophobicContact CB-CG 4.07Å; N429-Y487 PolarHBondContact N-O 2.95Å; N429-Y487 VanDerWaalsContact ND2-CE1 3.26Å; N429-Y487 WeakPolarHBondContact ND2-CE1 3.38Å; N429-Y487 PolarHBondContact O-N 3.47Å
430L83.2Confident92.2Very high5 Ų521.2 Ų21.23%0.02611%0.108CC..SBendtrans-155.4133.7172.5174.868000108.7R428 T432 P486 I502 I507 A510 L512R428-L430 VanDerWaalsContact C-N 3.28Å; R428-L430 PolarHBondContact NH1-O 2.93Å; R428-L430 PolarHBondContact O-N 3.49Å; L430-T432 PolarHBondContact O-N 3.33Å; L430-P486 HydrophobicContact CD1-CB 4.14Å; L430-I502 HydrophobicContact CB-CD1 3.93Å; L430-I502 HydrophobicContact CD2-CD1 4.08Å; L430-I502 HydrophobicContact CG-CD1 4.46Å; L430-I507 HydrophobicContact CD1-CB 4.35Å; L430-I507 HydrophobicContact CD1-CG1 4.17Å; L430-I507 HydrophobicContact CD1-CG2 4.03Å; L430-A510 HydrophobicContact CD2-CB 3.52Å; L430-L512 HydrophobicContact CD2-CD2 3.78Å; L430-L512 HydrophobicContact CG-CD2 4.35Å
431K75.1Confident92.3Very high124 Ų12419.5 Ų19.554%0.5399%0.09SC..SBendtrans46.835.5178.1-60.6171.1-172.5162.40112.3I507 S508 L512K431-I507 WeakPolarHBondContact CE-O 3.33Å; K431-I507 PolarHBondContact NZ-O 3.11Å; K431-I507 VanDerWaalsContact NZ-O 3.12Å; K431-S508 PolarHBondContact NZ-O 2.99Å; K431-L512 HydrophobicContact CD-CD1 4.23Å; K431-L512 HydrophobicContact CD-CD2 3.99Å
432T78.7Confident92.3Very high15 Ų1516.9 Ų16.99%0.0928%0.078CC..  trans-121.5146.7177.8-164.30000108.6Q392 L430 H434 Q436Q392-T432 HydrophobicContact CG-CG2 4.28Å; Q392-T432 WeakPolarHBondContact CG-O 3.48Å; Q392-T432 PolarHBondContact NE2-O 3.26Å; L430-T432 PolarHBondContact O-N 3.33Å; T432-H434 PolarHBondContact OG1-O 2.9Å; T432-Q436 PolarHBondContact OG1-NE2 3.39Å
433Q74.7Confident92.3Very high66 Ų6619.4 Ų19.431%0.3089%0.094SC..SBendtrans-108.3-15.9175.3-69.2172.5-21.200112H390H390-Q433 PolarHBondContact CE1-O 3.01Å; H390-Q433 VanDerWaalsContact CE1-O 3.3Å; H390-Q433 PolarHBondContact NE2-O 3.4Å
434H86Confident92.1Very high0 Ų023.5 Ų23.50%011%0.111CC..SBendtrans-134.5141-171.7-151.6117.9000108.9C348 F350 C351 T387 G389 H390 H391 Q392 T432 Q436C348-H434 PolarHBondContact SG-CE1 3.12Å; C348-H434 PolarHBondContact SG-ND1 3.35Å; F350-H434 HydrophobicContact CB-CB 3.99Å; F350-H434 HydrophobicContact CD2-CB 4.06Å; F350-H434 HydrophobicContact CG-CB 4.45Å; C351-H434 WeakPolarHBondContact CA-NE2 3.26Å; C351-H434 PolarHBondContact N-CE1 3.09Å; C351-H434 PolarHBondContact SG-CE1 3.33Å; C351-H434 PolarHBondContact SG-ND1 3.34Å; C351-H434 VanDerWaalsContact SG-ND1 3.39Å; C351-H434 PolarHBondContact SG-NE2 3.1Å; T387-H434 PolarHBondContact OG1-CD2 3.43Å; T387-H434 VanDerWaalsContact OG1-CD2 3.29Å; G389-H434 PolarHBondContact O-NE2 3.11Å; H390-H434 AromaticContact CE1-CE1 3.55Å; H390-H434 AromaticContact ND1-CE1 2.95Å; H390-H434 PolarHBondContact ND1-CE1 2.87Å; H390-H434 AromaticContact ND1-ND1 3.42Å; H390-H434 PolarHBondContact ND1-ND1 3.38Å; H391-H434 CarbonylContact O-C 3.59Å; H391-H434 VanDerWaalsContact O-CA 3.25Å; H391-H434 WeakPolarHBondContact O-CA 3Å; Q392-H434 CarbonylContact O-C 3.49Å; T432-H434 PolarHBondContact OG1-O 2.9Å; H434-Q436 PolarHBondContact O-N 3.44Å
435Y92.7Very high91.9Very high4 Ų428.3 Ų28.32%0.01615%0.145CC..  trans-64.3130.5177.3177.6-102.7000110.3L386 T387 H391 W394 I405 E427 L437L386-Y435 WeakPolarHBondContact CD2-O 3.49Å; T387-Y435 HydrophobicContact CG2-CD1 3.95Å; T387-Y435 HydrophobicContact CG2-CG 4.34Å; H391-Y435 PolarHBondContact O-N 3.29Å; W394-Y435 HydrophobicContact CB-CE2 3.92Å; W394-Y435 HydrophobicContact CE3-CE2 4.4Å; I405-Y435 HydrophobicContact CD1-CD1 4.02Å; I405-Y435 HydrophobicContact CD1-CE1 3.55Å; I405-Y435 HydrophobicContact CG1-CE1 4.22Å; I405-Y435 HydrophobicContact CG2-CE1 4.25Å; E427-Y435 HydrophobicContact CG-CD2 4.39Å; E427-Y435 HydrophobicContact CG-CE2 3.99Å; E427-Y435 WeakPolarHBondContact OE1-CD2 3.26Å; E427-Y435 WeakPolarHBondContact OE1-CE2 3.12Å; Y435-L437 HydrophobicContact CE1-CB 3.97Å
436Q93.5Very high91.7Very high22 Ų2229.2 Ų29.210%0.10315%0.151CC..EExtended strand (participates in β ladder)trans-142.7108.5176.853.1176.7-69.100109.2L386 T432 H434L386-Q436 HydrophobicContact CD2-CB 3.67Å; T432-Q436 PolarHBondContact OG1-NE2 3.39Å; H434-Q436 PolarHBondContact O-N 3.44Å
437L97.5Very high91.5Very high3 Ų329.6 Ų29.62%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-91.8114.9167.4-170.166.4000107.8L384 I385 I405 K409 T425 E427 Y435 V439L384-L437 WeakPolarHBondContact CA-O 3.47Å; I385-L437 HydrophobicContact CB-CB 4.33Å; I385-L437 HydrophobicContact CD1-CD2 4.35Å; I385-L437 PolarHBondContact N-O 3.03Å; I385-L437 PolarHBondContact O-N 3.49Å; I405-L437 HydrophobicContact CG2-CD2 4.29Å; K409-L437 HydrophobicContact CD-CD2 3.62Å; K409-L437 HydrophobicContact CG-CD2 3.87Å; T425-L437 HydrophobicContact CG2-CD2 4.41Å; E427-L437 HydrophobicContact CB-CD1 4.23Å; Y435-L437 HydrophobicContact CE1-CB 3.97Å; L437-V439 HydrophobicContact CD2-CG2 4.5Å; L437-V439 HydrophobicContact CG-CG2 4.33Å
438Q97.8Very high91.2Very high27 Ų2733.3 Ų33.313%0.12619%0.187CC..EExtended strand (participates in β ladder)trans-84.5127.1177.4-56.2-111.2-27.900107.6H382 L384 T425 F426H382-Q438 PolarHBondContact CE1-OE1 3.25Å; H382-Q438 VanDerWaalsContact CE1-OE1 3.3Å; H382-Q438 PolarHBondContact NE2-OE1 3.1Å; L384-Q438 HydrophobicContact CD2-CB 4.22Å; L384-Q438 VanDerWaalsContact CD2-CD 3.44Å; L384-Q438 HydrophobicContact CD2-CG 3.88Å; T425-Q438 CarbonylContact C-O 3.53Å; T425-Q438 WeakPolarHBondContact CA-O 3.48Å; F426-Q438 HydrophobicContact CD1-CB 3.92Å; F426-Q438 HydrophobicContact CD2-CB 4.1Å; F426-Q438 HydrophobicContact CD2-CG 4.27Å; F426-Q438 HydrophobicContact CE1-CB 3.53Å; F426-Q438 HydrophobicContact CE1-CG 4.37Å; F426-Q438 HydrophobicContact CE2-CB 3.74Å; F426-Q438 HydrophobicContact CE2-CG 3.7Å; F426-Q438 HydrophobicContact CG-CB 4.19Å; F426-Q438 HydrophobicContact CZ-CB 3.43Å; F426-Q438 VanDerWaalsContact CZ-CB 3.43Å; F426-Q438 HydrophobicContact CZ-CG 3.76Å; F426-Q438 PolarHBondContact N-O 2.97Å; F426-Q438 PolarHBondContact O-N 3.43Å
439V98.3Very high91.2Very high0 Ų036.1 Ų36.10%020%0.201CC..EExtended strand (participates in β ladder)trans-12195.8-170.8-178.10000109.1H382 A383 I385 L412 Y416 M423 T425 L437H382-V439 PolarHBondContact CD2-O 2.8Å; A383-V439 HydrophobicContact CB-CB 4.4Å; A383-V439 PolarHBondContact N-O 3.09Å; A383-V439 WeakPolarHBondContact O-CA 3.49Å; A383-V439 WeakPolarHBondContact O-CB 3.46Å; A383-V439 PolarHBondContact O-N 3.06Å; I385-V439 HydrophobicContact CD1-CG2 4.07Å; I385-V439 HydrophobicContact CG1-CG2 4.11Å; L412-V439 HydrophobicContact CD1-CG1 4.13Å; L412-V439 HydrophobicContact CD1-CG2 4.49Å; Y416-V439 HydrophobicContact CE2-CG1 3.74Å; M423-V439 HydrophobicContact CG-CG1 3.71Å; M423-V439 HydrophobicContact SD-CG1 3.6Å; M423-V439 VanDerWaalsContact SD-CG1 3.6Å; T425-V439 HydrophobicContact CG2-CB 4.46Å; T425-V439 HydrophobicContact CG2-CG1 4.19Å; T425-V439 HydrophobicContact CG2-CG2 4.02Å; L437-V439 HydrophobicContact CD2-CG2 4.5Å; L437-V439 HydrophobicContact CG-CG2 4.33Å
440V98.1Very high91.4Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-107119.8-174.2-179.20000109.8I378 V379 H382 V424 F426 L519 L525I378-V440 HydrophobicContact CD1-CG1 4.49Å; I378-V440 HydrophobicContact CD1-CG2 4.04Å; V379-V440 HydrophobicContact CG2-CG1 4.4Å; H382-V440 VanDerWaalsContact CD2-CG2 3.41Å; H382-V440 WeakPolarHBondContact CD2-CG2 3.1Å; H382-V440 WeakPolarHBondContact NE2-CG2 3.36Å; V424-V440 PolarHBondContact N-O 2.69Å; V424-V440 PolarHBondContact O-N 3.42Å; F426-V440 HydrophobicContact CE1-CG2 4.03Å; V440-L519 HydrophobicContact CB-CD1 3.78Å; V440-L519 HydrophobicContact CG1-CD1 4.01Å; V440-L519 HydrophobicContact CG2-CD1 3.74Å; V440-L525 HydrophobicContact CG1-CD1 3.95Å
441P97.5Very high92.1Very high3 Ų338.5 Ų38.52%0.01921%0.211CC..EExtended strand (participates in β ladder)trans-81.7141.7171.433.5-33.8000111.2V379 D381 Y416 K421 A422V379-P441 HydrophobicContact CG2-CG 3.84Å; D381-P441 HydrophobicContact CB-CG 4.37Å; D381-P441 VanDerWaalsContact CG-CG 3.48Å; D381-P441 WeakPolarHBondContact O-CD 3.38Å; D381-P441 WeakPolarHBondContact O-CG 3.4Å; D381-P441 VanDerWaalsContact OD2-CG 3.24Å; D381-P441 WeakPolarHBondContact OD2-CG 3.26Å; Y416-P441 HydrophobicContact CD1-CB 3.47Å; Y416-P441 VanDerWaalsContact CD1-CB 3.47Å; Y416-P441 HydrophobicContact CD1-CG 3.87Å; Y416-P441 HydrophobicContact CD2-CB 4.29Å; Y416-P441 HydrophobicContact CE1-CB 3.59Å; Y416-P441 HydrophobicContact CE1-CG 3.47Å; Y416-P441 VanDerWaalsContact CE1-CG 3.47Å; Y416-P441 HydrophobicContact CE2-CB 4.4Å; Y416-P441 HydrophobicContact CG-CB 3.85Å; K421-P441 HydrophobicContact CB-CB 4.1Å; K421-P441 HydrophobicContact CD-CB 4.01Å; K421-P441 HydrophobicContact CD-CG 4.44Å; A422-P441 WeakPolarHBondContact O-CA 3.48Å
442V97.2Very high93Very high1 Ų138 Ų381%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-126.8154176.4-57.30000110.1K421 A422 V424 V446 V450 P493 L519 I524 L525K421-V442 CarbonylContact C-O 3.52Å; K421-V442 WeakPolarHBondContact CA-O 3.49Å; A422-V442 HydrophobicContact CB-CG2 4.23Å; A422-V442 PolarHBondContact N-O 3.1Å; A422-V442 PolarHBondContact O-N 3.22Å; V424-V442 HydrophobicContact CG2-CG1 3.87Å; V424-V442 HydrophobicContact CG2-CG2 3.98Å; V442-V446 HydrophobicContact CB-CG2 3.93Å; V442-V446 HydrophobicContact CG2-CG2 4.14Å; V442-V450 HydrophobicContact CG2-CG2 4.16Å; V442-P493 HydrophobicContact CG2-CG 4.38Å; V442-L519 HydrophobicContact CG1-CD2 4.26Å; V442-I524 HydrophobicContact CB-CG2 4.13Å; V442-I524 HydrophobicContact CG1-CG2 3.61Å; V442-L525 HydrophobicContact CB-CD2 4.4Å; V442-L525 HydrophobicContact CG1-CD1 4.48Å; V442-L525 HydrophobicContact CG1-CD2 4.17Å; V442-L525 HydrophobicContact CG1-CG 4.35Å
443P96.1Very high93.9Very high57 Ų5737.3 Ų37.337%0.3721%0.207SC..EExtended strand (participates in β ladder)trans-56.4141.4173.7-25.634.6000112.4S445 V446P443-S445 PolarHBondContact O-N 3.29Å; P443-V446 HydrophobicContact CB-CG2 4.34Å; P443-V446 HydrophobicContact CG-CG2 4.48Å; P443-V446 VanDerWaalsContact O-CG2 3.29Å; P443-V446 WeakPolarHBondContact O-CG2 3.41Å; P443-V446 PolarHBondContact O-N 2.85Å; P443-V446 VanDerWaalsContact O-N 3.13Å
444F94.2Very high94.9Very high111 Ų11134.2 Ų34.249%0.48719%0.192SC..THydrogen-bonded Turntrans-56.4-27.2177.1-87.3-54000113.5A417 G420 K421 A422 V446 A447A417-F444 HydrophobicContact CB-CZ 4.4Å; G420-F444 VanDerWaalsContact C-CE2 3.5Å; G420-F444 WeakPolarHBondContact O-CD2 3.45Å; G420-F444 PolarHBondContact O-N 3.02Å; K421-F444 VanDerWaalsContact O-CZ 3.26Å; K421-F444 WeakPolarHBondContact O-CZ 3.45Å; A422-F444 HydrophobicContact CB-CD1 3.5Å; A422-F444 HydrophobicContact CB-CE1 3.58Å; A422-F444 HydrophobicContact CB-CG 4.41Å; F444-V446 PolarHBondContact O-N 3.43Å; F444-A447 WeakPolarHBondContact O-CB 3.29Å; F444-A447 PolarHBondContact O-N 3.09Å
445S94Very high95.4Very high101 Ų10136.3 Ų36.371%0.70620%0.203SC*.THydrogen-bonded Turntrans-63.2-34.5177.949.50000114.2P443P443-S445 PolarHBondContact O-N 3.29Å
446V94.6Very high95.5Very high22 Ų2239.8 Ų39.813%0.13322%0.219CC..THydrogen-bonded Turntrans-94-6.5-178.8-58.70000113V442 P443 F444 A448 E449 V450 R523 I524V442-V446 HydrophobicContact CB-CG2 3.93Å; V442-V446 HydrophobicContact CG2-CG2 4.14Å; P443-V446 HydrophobicContact CB-CG2 4.34Å; P443-V446 HydrophobicContact CG-CG2 4.48Å; P443-V446 VanDerWaalsContact O-CG2 3.29Å; P443-V446 WeakPolarHBondContact O-CG2 3.41Å; P443-V446 PolarHBondContact O-N 2.85Å; P443-V446 VanDerWaalsContact O-N 3.13Å; F444-V446 PolarHBondContact O-N 3.43Å; V446-A448 PolarHBondContact O-N 3.24Å; V446-E449 PolarHBondContact O-N 3.02Å; V446-V450 PolarHBondContact O-N 2.93Å; V446-R523 WeakPolarHBondContact CG1-O 3.24Å; V446-I524 HydrophobicContact CG2-CG2 3.98Å
447A91.8Very high95.5Very high15 Ų1539.9 Ų39.912%0.12422%0.22CC..THydrogen-bonded Turntrans-57.8-26.3-172.100000114.5A422 F444 P493A422-A447 HydrophobicContact CB-CB 3.87Å; F444-A447 WeakPolarHBondContact O-CB 3.29Å; F444-A447 PolarHBondContact O-N 3.09Å; A447-P493 HydrophobicContact CB-CB 3.94Å; A447-P493 HydrophobicContact CB-CG 4.14Å
448A90Very high95.4Very high83 Ų8339.9 Ų39.969%0.68622%0.221SC*.THydrogen-bonded Turntrans-77.3-28.9174.400000113.4V446V446-A448 PolarHBondContact O-N 3.24Å
449E93.4Very high95.1Very high93 Ų9342.4 Ų42.444%0.43524%0.242SC..THydrogen-bonded Turntrans-79.7-33.2-177.2-59.6-167-156.600112.1V446 K451 Q452 V453V446-E449 PolarHBondContact O-N 3.02Å; E449-K451 PolarHBondContact O-N 2.71Å; E449-Q452 WeakPolarHBondContact O-CB 3.01Å; E449-Q452 PolarHBondContact O-N 2.91Å; E449-V453 WeakPolarHBondContact O-CG2 3.5Å; E449-V453 PolarHBondContact O-N 3.03Å; E449-V453 VanDerWaalsContact O-N 3.08Å
450V96.2Very high94.6Very high0 Ų045.3 Ų45.30%026%0.257CS..Hα-helixtrans-42.1-46.4-178.6-177.40000112.6V424 V442 V446 V453 F454 L492 P493 L519 I524V424-V450 HydrophobicContact CG1-CG1 4.3Å; V424-V450 HydrophobicContact CG2-CG1 4.05Å; V424-V450 HydrophobicContact CG2-CG2 4.48Å; V442-V450 HydrophobicContact CG2-CG2 4.16Å; V446-V450 PolarHBondContact O-N 2.93Å; V450-V453 PolarHBondContact O-N 3.18Å; V450-F454 HydrophobicContact CG1-CD2 3.75Å; V450-F454 HydrophobicContact CG1-CE2 3.86Å; V450-F454 WeakPolarHBondContact O-CD2 3.04Å; V450-F454 PolarHBondContact O-N 2.88Å; V450-L492 HydrophobicContact CG1-CD2 3.81Å; V450-P493 HydrophobicContact CG2-CG 4.47Å; V450-L519 HydrophobicContact CG1-CD2 4.5Å; V450-I524 HydrophobicContact CB-CD1 4.36Å; V450-I524 HydrophobicContact CG1-CD1 4.34Å; V450-I524 HydrophobicContact CG2-CD1 4.23Å; V450-I524 HydrophobicContact CG2-CG2 4.15Å
451K96.3Very high93.6Very high61 Ų6149.5 Ų49.527%0.26528%0.283SS..Hα-helixtrans-60.2-46.4179-178.4175.2-178.3-179.20113.2E449 L455 L492 E496E449-K451 PolarHBondContact O-N 2.71Å; K451-L455 HydrophobicContact CG-CD1 4.14Å; K451-L455 WeakPolarHBondContact O-CG 3.25Å; K451-L455 PolarHBondContact O-N 3.44Å; K451-L455 VanDerWaalsContact O-N 3.11Å; K451-L492 HydrophobicContact CB-CD1 3.74Å; K451-L492 HydrophobicContact CB-CD2 4.47Å; K451-L492 HydrophobicContact CD-CD1 4.04Å; K451-L492 HydrophobicContact CG-CD1 3.66Å; K451-E496 WeakPolarHBondContact CD-OE2 3.5Å; K451-E496 IonicContact NZ-OE1 3.77Å; K451-E496 PolarHBondContact NZ-OE1 3.47Å; K451-E496 IonicContact NZ-OE2 3.39Å; K451-E496 PolarHBondContact NZ-OE2 3.42Å
452Q95.5Very high92.6Very high113 Ų11356 Ų5653%0.52832%0.317SS..Hα-helixtrans-67.7-43-177.7178.855.837.700110.3E449 L455 E456E449-Q452 WeakPolarHBondContact O-CB 3.01Å; E449-Q452 PolarHBondContact O-N 2.91Å; Q452-L455 PolarHBondContact O-N 2.88Å; Q452-E456 VanDerWaalsContact O-CB 3.23Å; Q452-E456 WeakPolarHBondContact O-CB 3.34Å; Q452-E456 PolarHBondContact O-N 3.02Å
453V96.1Very high91.7Very high2 Ų258.6 Ų58.61%0.01233%0.329CS..Hα-helixtrans-63.1-45177.5-174.10000110.9E449 V450 L455 L457 V518 D521 R523 I524E449-V453 WeakPolarHBondContact O-CG2 3.5Å; E449-V453 PolarHBondContact O-N 3.03Å; E449-V453 VanDerWaalsContact O-N 3.08Å; V450-V453 PolarHBondContact O-N 3.18Å; V453-L455 PolarHBondContact O-N 2.95Å; V453-L457 HydrophobicContact CG1-CD1 3.6Å; V453-L457 HydrophobicContact CG1-CG 4.09Å; V453-L457 VanDerWaalsContact O-CB 3.25Å; V453-L457 WeakPolarHBondContact O-CB 3.17Å; V453-L457 VanDerWaalsContact O-CG 3.32Å; V453-L457 WeakPolarHBondContact O-CG 3.36Å; V453-L457 PolarHBondContact O-N 2.93Å; V453-V518 HydrophobicContact CG1-CG1 4.09Å; V453-D521 HydrophobicContact CG1-CB 3.94Å; V453-R523 HydrophobicContact CG2-CB 4.02Å; V453-I524 HydrophobicContact CB-CD1 3.99Å; V453-I524 HydrophobicContact CG1-CD1 4.05Å; V453-I524 HydrophobicContact CG2-CD1 4.23Å; V453-I524 HydrophobicContact CG2-CG1 4.23Å
454F96.5Very high91.3Very high0 Ų056 Ų560%031%0.312CS..Hα-helixtrans-58.7-44.9174.2-96.7-73.6000112.9V424 V450 S458 L468 F488 V490 L492 L498 F514 V518 L519V424-F454 HydrophobicContact CG1-CE2 4.22Å; V450-F454 HydrophobicContact CG1-CD2 3.75Å; V450-F454 HydrophobicContact CG1-CE2 3.86Å; V450-F454 WeakPolarHBondContact O-CD2 3.04Å; V450-F454 PolarHBondContact O-N 2.88Å; F454-S458 WeakPolarHBondContact O-CB 3.31Å; F454-S458 PolarHBondContact O-N 2.96Å; F454-S458 PolarHBondContact O-OG 2.95Å; F454-L468 HydrophobicContact CB-CD1 4.39Å; F454-L468 HydrophobicContact CD1-CD1 3.71Å; F454-L468 HydrophobicContact CG-CD1 4.45Å; F454-F488 AromaticContact CE1-CE1 3.99Å; F454-F488 HydrophobicContact CE1-CE1 3.99Å; F454-F488 HydrophobicContact CE1-CZ 4.36Å; F454-V490 HydrophobicContact CD1-CG1 4.06Å; F454-V490 HydrophobicContact CD2-CG2 4.3Å; F454-V490 HydrophobicContact CE1-CB 4.34Å; F454-V490 HydrophobicContact CE1-CG1 4.22Å; F454-V490 HydrophobicContact CE1-CG2 4.22Å; F454-V490 HydrophobicContact CE2-CG2 3.86Å; F454-V490 HydrophobicContact CG-CG1 4.31Å; F454-V490 HydrophobicContact CZ-CB 4.41Å; F454-V490 HydrophobicContact CZ-CG2 3.82Å; F454-L492 HydrophobicContact CD2-CD2 4.09Å; F454-L498 HydrophobicContact CB-CD1 3.84Å; F454-F514 HydrophobicContact CD1-CE1 4.49Å; F454-V518 HydrophobicContact CB-CG1 4.31Å; F454-V518 HydrophobicContact CD1-CB 4.18Å; F454-V518 HydrophobicContact CD1-CG1 3.66Å; F454-V518 HydrophobicContact CD1-CG2 4.06Å; F454-V518 HydrophobicContact CD2-CG1 3.57Å; F454-V518 HydrophobicContact CE1-CB 3.89Å; F454-V518 HydrophobicContact CE1-CG1 3.7Å; F454-V518 HydrophobicContact CE1-CG2 4.04Å; F454-V518 HydrophobicContact CE2-CB 4.44Å; F454-V518 HydrophobicContact CE2-CG1 3.61Å; F454-V518 HydrophobicContact CG-CG1 3.59Å; F454-V518 HydrophobicContact CZ-CB 4.02Å; F454-V518 HydrophobicContact CZ-CG1 3.67Å; F454-L519 HydrophobicContact CE2-CD2 4.07Å; F454-L519 HydrophobicContact CE2-CG 4.32Å; F454-L519 HydrophobicContact CZ-CD2 4.5Å; F454-L519 HydrophobicContact CZ-CG 4.27Å
455L96Very high91Very high45 Ų4550.8 Ų50.824%0.23629%0.289CS..Hα-helixtrans-66.7-50.3-179.6-70.4170.7000111.3K451 Q452 V453 S458 S459 L468 L498K451-L455 HydrophobicContact CG-CD1 4.14Å; K451-L455 WeakPolarHBondContact O-CG 3.25Å; K451-L455 PolarHBondContact O-N 3.44Å; K451-L455 VanDerWaalsContact O-N 3.11Å; Q452-L455 PolarHBondContact O-N 2.88Å; V453-L455 PolarHBondContact O-N 2.95Å; L455-S458 PolarHBondContact O-N 2.9Å; L455-S458 PolarHBondContact O-OG 3.48Å; L455-S459 PolarHBondContact O-N 2.84Å; L455-S459 VanDerWaalsContact O-N 3.15Å; L455-L468 WeakPolarHBondContact CD2-O 3.43Å; L455-L498 HydrophobicContact CD2-CD1 4.06Å; L455-L498 HydrophobicContact CD2-CD2 4.34Å; L455-L498 HydrophobicContact CG-CD1 4.14Å
456E94.7Very high90.9Very high76 Ų7646.1 Ų46.136%0.35526%0.256SS..Hα-helixtrans-55.9-55.5177.8-177.2-171.211600111.6Q452 S458 S459 R523Q452-E456 VanDerWaalsContact O-CB 3.23Å; Q452-E456 WeakPolarHBondContact O-CB 3.34Å; Q452-E456 PolarHBondContact O-N 3.02Å; E456-S458 VanDerWaalsContact C-N 3.28Å; E456-S458 PolarHBondContact O-N 3.12Å; E456-S459 WeakPolarHBondContact O-CB 3.33Å; E456-S459 PolarHBondContact O-N 3.41Å; E456-S459 VanDerWaalsContact O-N 3.09Å; E456-S459 PolarHBondContact O-OG 3.49Å; E456-R523 IonicContact OE1-CZ 2.77Å; E456-R523 VanDerWaalsContact OE1-CZ 3.28Å; E456-R523 IonicContact OE1-NH1 2.82Å; E456-R523 PolarHBondContact OE1-NH1 2.65Å; E456-R523 IonicContact OE1-NH2 3.82Å; E456-R523 PolarHBondContact OE1-NH2 3.02Å; E456-R523 IonicContact OE2-CZ 3.15Å; E456-R523 IonicContact OE2-NH1 3.23Å; E456-R523 PolarHBondContact OE2-NH1 3.41Å
457L94.2Very high90.8Very high24 Ų2450.3 Ų50.313%0.12628%0.275CS..Hα-helixtrans-68.9-24.4-179-65-175.4000112.6V453 S459 F463 V518 D521V453-L457 HydrophobicContact CG1-CD1 3.6Å; V453-L457 HydrophobicContact CG1-CG 4.09Å; V453-L457 VanDerWaalsContact O-CB 3.25Å; V453-L457 WeakPolarHBondContact O-CB 3.17Å; V453-L457 VanDerWaalsContact O-CG 3.32Å; V453-L457 WeakPolarHBondContact O-CG 3.36Å; V453-L457 PolarHBondContact O-N 2.93Å; L457-S459 VanDerWaalsContact C-N 3.34Å; L457-F463 HydrophobicContact CB-CE2 3.96Å; L457-F463 HydrophobicContact CB-CZ 4.17Å; L457-F463 HydrophobicContact CD2-CE2 4.32Å; L457-F463 HydrophobicContact CD2-CZ 3.8Å; L457-F463 VanDerWaalsContact O-CE2 3.23Å; L457-F463 WeakPolarHBondContact O-CE2 3.37Å; L457-V518 HydrophobicContact CB-CG2 4Å; L457-V518 HydrophobicContact CD1-CB 4.25Å; L457-V518 HydrophobicContact CD1-CG1 4.35Å; L457-V518 HydrophobicContact CD1-CG2 3.92Å; L457-D521 HydrophobicContact CD1-CB 4.5Å
458S94.3Very high91Very high3 Ų349.8 Ų49.82%0.02127%0.27CS..Hα-helixtrans-73.2-23.8171.678.60000114.3F454 L455 E456 N460 S464 E467 L468F454-S458 WeakPolarHBondContact O-CB 3.31Å; F454-S458 PolarHBondContact O-N 2.96Å; F454-S458 PolarHBondContact O-OG 2.95Å; L455-S458 PolarHBondContact O-N 2.9Å; L455-S458 PolarHBondContact O-OG 3.48Å; E456-S458 VanDerWaalsContact C-N 3.28Å; E456-S458 PolarHBondContact O-N 3.12Å; S458-N460 VanDerWaalsContact C-N 3.33Å; S458-S464 WeakPolarHBondContact CA-OG 3.43Å; S458-S464 WeakPolarHBondContact O-CB 3.49Å; S458-S464 PolarHBondContact O-OG 2.89Å; S458-E467 WeakPolarHBondContact O-CA 3.47Å; S458-L468 PolarHBondContact OG-N 2.8Å
459S91.7Very high91.2Very high81 Ų8151 Ų5157%0.56626%0.26SS*.Hα-helixtrans-74.6-24.3178.476.40000112.6L455 E456 L457 T461L455-S459 PolarHBondContact O-N 2.84Å; L455-S459 VanDerWaalsContact O-N 3.15Å; E456-S459 WeakPolarHBondContact O-CB 3.33Å; E456-S459 PolarHBondContact O-N 3.41Å; E456-S459 VanDerWaalsContact O-N 3.09Å; E456-S459 PolarHBondContact O-OG 3.49Å; L457-S459 VanDerWaalsContact C-N 3.34Å; S459-T461 PolarHBondContact O-N 2.93Å
460N87.7Confident91.3Very high61 Ų6150.5 Ų50.533%0.32626%0.264SS..  trans-78.1117.3176.9-171.1-30000111S458 D462 F463 S464S458-N460 VanDerWaalsContact C-N 3.33Å; N460-D462 VanDerWaalsContact C-N 3.29Å; N460-D462 PolarHBondContact O-N 3.44Å; N460-D462 VanDerWaalsContact OD1-CB 3.3Å; N460-D462 WeakPolarHBondContact OD1-CB 3.21Å; N460-D462 VanDerWaalsContact OD1-CG 3.29Å; N460-D462 PolarHBondContact OD1-N 3.34Å; N460-D462 PolarHBondContact OD1-OD2 3.01Å; N460-F463 HydrophobicContact CB-CD1 4.5Å; N460-F463 HydrophobicContact CB-CE1 3.7Å; N460-F463 HydrophobicContact CB-CZ 3.73Å; N460-F463 VanDerWaalsContact CG-CE1 3.47Å; N460-F463 WeakPolarHBondContact ND2-CE1 3.34Å; N460-S464 WeakPolarHBondContact O-CB 3.49Å; N460-S464 PolarHBondContact O-N 3.11Å
461T77Confident91.1Very high88 Ų8851.2 Ų51.254%0.5427%0.269SS..THydrogen-bonded Turntrans-72.2-17.3-177.150.30000115S459 F463S459-T461 PolarHBondContact O-N 2.93Å; T461-F463 VanDerWaalsContact C-N 3.32Å; T461-F463 PolarHBondContact O-N 2.9Å
462D76.7Confident90.8Very high138 Ų13852.3 Ų52.374%0.73828%0.282SS*.THydrogen-bonded Turntrans-75.7-24.3-168.8-58.1-14.4000112.4N460N460-D462 VanDerWaalsContact C-N 3.29Å; N460-D462 PolarHBondContact O-N 3.44Å; N460-D462 VanDerWaalsContact OD1-CB 3.3Å; N460-D462 WeakPolarHBondContact OD1-CB 3.21Å; N460-D462 VanDerWaalsContact OD1-CG 3.29Å; N460-D462 PolarHBondContact OD1-N 3.34Å; N460-D462 PolarHBondContact OD1-OD2 3.01Å
463F79Confident90.1Very high56 Ų5657 Ų5725%0.24630%0.295CS..THydrogen-bonded Turntrans-135.5-17.6177.459.9-96.2000114.4L457 N460 T461 N511 F514L457-F463 HydrophobicContact CB-CE2 3.96Å; L457-F463 HydrophobicContact CB-CZ 4.17Å; L457-F463 HydrophobicContact CD2-CE2 4.32Å; L457-F463 HydrophobicContact CD2-CZ 3.8Å; L457-F463 VanDerWaalsContact O-CE2 3.23Å; L457-F463 WeakPolarHBondContact O-CE2 3.37Å; N460-F463 HydrophobicContact CB-CD1 4.5Å; N460-F463 HydrophobicContact CB-CE1 3.7Å; N460-F463 HydrophobicContact CB-CZ 3.73Å; N460-F463 VanDerWaalsContact CG-CE1 3.47Å; N460-F463 WeakPolarHBondContact ND2-CE1 3.34Å; T461-F463 VanDerWaalsContact C-N 3.32Å; T461-F463 PolarHBondContact O-N 2.9Å; F463-N511 WeakPolarHBondContact O-CB 3.37Å; F463-F514 HydrophobicContact CD2-CD2 4.16Å; F463-F514 HydrophobicContact CD2-CE2 4.24Å; F463-F514 HydrophobicContact CE2-CD2 4.46Å; F463-F514 HydrophobicContact CE2-CE2 4.12Å
464S87.7Confident89.4Confident3 Ų368 Ų682%0.02134%0.336CS..  trans-78.5133.2179.8-174.40000112.9S458 N460 C466 R506 F514S458-S464 WeakPolarHBondContact CA-OG 3.43Å; S458-S464 WeakPolarHBondContact O-CB 3.49Å; S458-S464 PolarHBondContact O-OG 2.89Å; N460-S464 WeakPolarHBondContact O-CB 3.49Å; N460-S464 PolarHBondContact O-N 3.11Å; S464-C466 VanDerWaalsContact C-N 3.31Å; S464-C466 PolarHBondContact O-N 3.11Å; S464-C466 PolarHBondContact OG-N 2.91Å; S464-C466 PolarHBondContact OG-O 2.88Å; S464-R506 VanDerWaalsContact O-CZ 3.32Å; S464-R506 PolarHBondContact O-NE 3.44Å; S464-R506 PolarHBondContact O-NH2 3.32Å; S464-F514 WeakPolarHBondContact OG-CE2 3.17Å; S464-F514 WeakPolarHBondContact OG-CZ 3.48Å
465P88Confident88.9Confident1 Ų169.3 Ų69.31%0.00634%0.344CS..SBendtrans-67-31.8173.930.8-37000112.2F488 I502 R506 A510 F514P465-F488 HydrophobicContact CG-CD2 4.47Å; P465-I502 HydrophobicContact CB-CD1 3.95Å; P465-I502 HydrophobicContact CB-CG1 4.04Å; P465-I502 HydrophobicContact CB-CG2 4.45Å; P465-R506 PolarHBondContact O-NE 2.9Å; P465-A510 HydrophobicContact CB-CB 3.74Å; P465-F514 HydrophobicContact CG-CB 4.01Å; P465-F514 HydrophobicContact CG-CD1 3.95Å; P465-F514 HydrophobicContact CG-CG 3.98Å
466C91Very high88.3Confident3 Ų371 Ų712%0.0235%0.351CS..SBendtrans-161.6145.4-178.554.50000112.4S464 L468 G500 R501 I502S464-C466 VanDerWaalsContact C-N 3.31Å; S464-C466 PolarHBondContact O-N 3.11Å; S464-C466 PolarHBondContact OG-N 2.91Å; S464-C466 PolarHBondContact OG-O 2.88Å; C466-L468 PolarHBondContact O-N 2.75Å; C466-G500 PolarHBondContact SG-O 3.03Å; C466-R501 VanDerWaalsContact CB-O 3.25Å; C466-R501 WeakPolarHBondContact CB-O 3.32Å; C466-I502 HydrophobicContact CB-CG1 4.09Å
467E93.6Very high87.9Confident110 Ų11067.6 Ų67.651%0.51434%0.335SS..  trans-60.4124.7166.9-172.4-164.6173.700109.8S458 K469S458-E467 WeakPolarHBondContact O-CA 3.47Å; E467-K469 WeakPolarHBondContact OE1-CE 3.49Å; E467-K469 IonicContact OE1-NZ 3.4Å; E467-K469 PolarHBondContact OE1-NZ 3.18Å; E467-K469 WeakPolarHBondContact OE2-CE 3.06Å; E467-K469 IonicContact OE2-NZ 2.71Å; E467-K469 PolarHBondContact OE2-NZ 3.18Å
468L95.7Very high87.3Confident5 Ų570 Ų703%0.02635%0.348CS..  trans-91.7141.3179.5-65-178.7000111.2F454 L455 S458 C466 F488 V490 L498 F514F454-L468 HydrophobicContact CB-CD1 4.39Å; F454-L468 HydrophobicContact CD1-CD1 3.71Å; F454-L468 HydrophobicContact CG-CD1 4.45Å; L455-L468 WeakPolarHBondContact CD2-O 3.43Å; S458-L468 PolarHBondContact OG-N 2.8Å; C466-L468 PolarHBondContact O-N 2.75Å; L468-F488 HydrophobicContact CD1-CD1 4.24Å; L468-F488 HydrophobicContact CD1-CE1 4.5Å; L468-F488 HydrophobicContact CD2-CB 4.28Å; L468-F488 HydrophobicContact CD2-CD1 3.93Å; L468-V490 HydrophobicContact CD1-CG1 4.05Å; L468-L498 HydrophobicContact CB-CB 4.29Å; L468-L498 HydrophobicContact CD1-CD1 4.48Å; L468-F514 HydrophobicContact CD1-CE1 4.11Å
469K94.9Very high86.8Confident109 Ų10975.9 Ų75.947%0.47438%0.375SS..EExtended strand (participates in β ladder)trans-131.4142.6-179.4-56.8-169.1-177.2-167.10110.7E467 V471 L498 F499E467-K469 WeakPolarHBondContact OE1-CE 3.49Å; E467-K469 IonicContact OE1-NZ 3.4Å; E467-K469 PolarHBondContact OE1-NZ 3.18Å; E467-K469 WeakPolarHBondContact OE2-CE 3.06Å; E467-K469 IonicContact OE2-NZ 2.71Å; E467-K469 PolarHBondContact OE2-NZ 3.18Å; K469-V471 PolarHBondContact O-N 3.36Å; K469-L498 WeakPolarHBondContact O-CA 3.41Å; K469-F499 PolarHBondContact N-O 3.36Å; K469-F499 PolarHBondContact O-N 2.89Å
470P94.9Very high86.5Confident81 Ų8174.1 Ų74.153%0.52636%0.359SS..EExtended strand (participates in β ladder)trans-60.8133.2176.1-2333.7000112.3L498P470-L498 HydrophobicContact CB-CD2 4.11Å; P470-L498 HydrophobicContact CG-CD2 3.98Å
471V92.7Very high86.3Confident16 Ų1671.4 Ų71.410%0.09734%0.344CS..PPolyproline II helixtrans-89.5137.4173.3-175.90000109K469 T475 I480 K497 F499K469-V471 PolarHBondContact O-N 3.36Å; V471-T475 HydrophobicContact CG1-CG2 4.08Å; V471-T475 WeakPolarHBondContact CG1-O 3.39Å; V471-I480 HydrophobicContact CG1-CD1 3.96Å; V471-I480 HydrophobicContact CG2-CD1 3.76Å; V471-K497 HydrophobicContact CB-CB 3.87Å; V471-K497 HydrophobicContact CG2-CB 4.18Å; V471-K497 PolarHBondContact N-O 3.23Å; V471-F499 HydrophobicContact CG2-CB 3.47Å; V471-F499 VanDerWaalsContact CG2-CB 3.47Å
472P89.1Confident86.3Confident83 Ų8376.7 Ų76.754%0.53936%0.355SS..PPolyproline II helixtrans-59.1140.9173.7-22.733.5000112R474 T475P472-R474 PolarHBondContact O-N 3.05Å; P472-T475 PolarHBondContact O-N 3.42Å
473R81.2Confident86.3Confident212 Ų21273.9 Ų73.980%0.834%0.342SS*.THydrogen-bonded Turntrans-60.31.8-173.9-70.2-174.2175.1-174.7-3.1117
474R81.3Confident85.9Confident233 Ų23373.8 Ų73.888%0.87936%0.357SS*.THydrogen-bonded Turntrans-137.215.1-179.2-65.7-175.5176.8170.9-2.9112.7P472P472-R474 PolarHBondContact O-N 3.05Å
475T85.8Confident85.6Confident27 Ų2776.4 Ų76.417%0.16637%0.37CS..  trans-111117.6-177.9-73.40000107.9V471 P472 E479 I480V471-T475 HydrophobicContact CG1-CG2 4.08Å; V471-T475 WeakPolarHBondContact CG1-O 3.39Å; P472-T475 PolarHBondContact O-N 3.42Å; T475-E479 WeakPolarHBondContact CA-OE1 3.49Å; T475-E479 HydrophobicContact CG2-CB 4.13Å; T475-I480 HydrophobicContact CG2-CG2 3.41Å; T475-I480 VanDerWaalsContact CG2-CG2 3.41Å
476E84.4Confident85.6Confident82 Ų8277.9 Ų77.938%0.38338%0.38SS..  trans-86.2160.3178.9-69.1-50.4137.200113D478 E479 K497E476-D478 PolarHBondContact O-N 3.13Å; E476-E479 PolarHBondContact N-OE1 2.91Å; E476-E479 WeakPolarHBondContact O-CB 3.35Å; E476-E479 PolarHBondContact O-N 3.44Å; E476-K497 VanDerWaalsContact CD-NZ 3.34Å; E476-K497 IonicContact OE1-NZ 2.82Å; E476-K497 PolarHBondContact OE1-NZ 3.06Å; E476-K497 VanDerWaalsContact OE1-NZ 3.07Å; E476-K497 IonicContact OE2-NZ 2.9Å; E476-K497 PolarHBondContact OE2-NZ 2.77Å
477L85.5Confident85.7Confident4 Ų477.7 Ų77.72%0.02138%0.379CS..Hα-helixtrans-59.3-33.2-172.2-76174.8000113.2W394 E479 I480 C481 F489 F499W394-L477 HydrophobicContact CB-CD1 4.48Å; W394-L477 HydrophobicContact CG-CD1 4.09Å; L477-E479 PolarHBondContact O-N 2.95Å; L477-I480 HydrophobicContact CD2-CD1 4.19Å; L477-I480 HydrophobicContact CD2-CG1 4.42Å; L477-I480 PolarHBondContact O-N 3.2Å; L477-C481 PolarHBondContact O-N 3.42Å; L477-F489 HydrophobicContact CD1-CD1 3.93Å; L477-F489 HydrophobicContact CD1-CD2 4.1Å; L477-F489 HydrophobicContact CD1-CE1 3.9Å; L477-F489 HydrophobicContact CD1-CE2 4.05Å; L477-F489 HydrophobicContact CD1-CG 4.03Å; L477-F489 HydrophobicContact CD1-CZ 3.95Å; L477-F489 HydrophobicContact CD2-CD2 3.69Å; L477-F489 HydrophobicContact CD2-CE2 3.82Å; L477-F489 HydrophobicContact CD2-CG 4.25Å; L477-F489 HydrophobicContact CG-CD2 4.39Å; L477-F489 HydrophobicContact CG-CE2 4.2Å; L477-F489 HydrophobicContact CG-CZ 4.43Å; L477-F499 HydrophobicContact CD2-CD2 3.59Å; L477-F499 HydrophobicContact CD2-CE2 3.95Å; L477-F499 HydrophobicContact CD2-CG 4.33Å
478D81.7Confident85.8Confident75 Ų7572.5 Ų72.540%0.40135%0.354SS..Hα-helixtrans-70-18.3178.6-58.1-19.1000113M395 R402 E476M395-D478 WeakPolarHBondContact CG-OD1 3.29Å; R402-D478 IonicContact CZ-OD1 3.72Å; R402-D478 IonicContact CZ-OD2 3.96Å; R402-D478 VanDerWaalsContact CZ-OD2 3.23Å; R402-D478 IonicContact NH1-OD2 2.61Å; R402-D478 PolarHBondContact NH1-OD2 2.98Å; R402-D478 VanDerWaalsContact NH2-CG 3.33Å; R402-D478 IonicContact NH2-OD1 3.48Å; R402-D478 PolarHBondContact NH2-OD1 2.85Å; R402-D478 IonicContact NH2-OD2 3.28Å; R402-D478 PolarHBondContact NH2-OD2 2.71Å; E476-D478 PolarHBondContact O-N 3.13Å
479E83.8Confident85.8Confident126 Ų12672.7 Ų72.759%0.58936%0.355SS*.Hα-helixtrans-76.9-34.9171.5-63.8170.5-130.800111.6T475 E476 L477T475-E479 WeakPolarHBondContact CA-OE1 3.49Å; T475-E479 HydrophobicContact CG2-CB 4.13Å; E476-E479 PolarHBondContact N-OE1 2.91Å; E476-E479 WeakPolarHBondContact O-CB 3.35Å; E476-E479 PolarHBondContact O-N 3.44Å; L477-E479 PolarHBondContact O-N 2.95Å
480I86Confident85.9Confident43 Ų4367.5 Ų67.522%0.22133%0.332CS..Hα-helixtrans-105-5.8-171.463.5169.3000114.2V471 T475 L477 F499 R501V471-I480 HydrophobicContact CG1-CD1 3.96Å; V471-I480 HydrophobicContact CG2-CD1 3.76Å; T475-I480 HydrophobicContact CG2-CG2 3.41Å; T475-I480 VanDerWaalsContact CG2-CG2 3.41Å; L477-I480 HydrophobicContact CD2-CD1 4.19Å; L477-I480 HydrophobicContact CD2-CG1 4.42Å; L477-I480 PolarHBondContact O-N 3.2Å; I480-F499 HydrophobicContact CD1-CB 4.06Å; I480-F499 HydrophobicContact CD1-CD1 3.63Å; I480-F499 HydrophobicContact CD1-CD2 4.36Å; I480-F499 HydrophobicContact CD1-CE1 4.14Å; I480-F499 HydrophobicContact CD1-CG 3.76Å; I480-F499 HydrophobicContact CG1-CD1 4.35Å; I480-F499 HydrophobicContact CG1-CE1 4.37Å; I480-R501 PolarHBondContact O-NE 3.32Å; I480-R501 PolarHBondContact O-NH2 2.76Å
481C83.7Confident86Confident4 Ų465.2 Ų65.23%0.02732%0.315CS..  trans-145.9173.8175.4-153.30000111.4M395 L477 F499M395-C481 HydrophobicContact CE-CB 3.73Å; M395-C481 WeakPolarHBondContact CE-SG 3.41Å; M395-C481 HydrophobicContact SD-CB 3.53Å; M395-C481 VanDerWaalsContact SD-CB 3.53Å; L477-C481 PolarHBondContact O-N 3.42Å; C481-F499 HydrophobicContact CB-CE1 4.34Å; C481-F499 HydrophobicContact CB-CE2 4.31Å; C481-F499 HydrophobicContact CB-CZ 3.61Å
482R76.7Confident86.2Confident200 Ų20064.8 Ų64.876%0.75531%0.312SS*.  trans-136.1149.1175.8-66.6-173.1178.4-168.3-1.6109.9M395 G484 I485M395-R482 VanDerWaalsContact CE-O 3.23Å; M395-R482 WeakPolarHBondContact CE-O 3.4Å; M395-R482 VanDerWaalsContact SD-CA 3.58Å; M395-R482 PolarHBondContact SD-N 2.66Å; M395-R482 VanDerWaalsContact SD-N 3.36Å; R482-G484 PolarHBondContact O-N 2.9Å; R482-I485 HydrophobicContact CB-CD1 4Å; R482-I485 HydrophobicContact CB-CG1 4.49Å; R482-I485 WeakPolarHBondContact O-CB 3.24Å; R482-I485 WeakPolarHBondContact O-CG1 3.2Å; R482-I485 PolarHBondContact O-N 3.48Å; R482-I485 VanDerWaalsContact O-N 3.08Å
483V76.2Confident86.3Confident78 Ų7862.4 Ų62.447%0.47330%0.296SS..THydrogen-bonded Turntrans-45.3137.5174.3-175.10000110.7M395 I485M395-V483 HydrophobicContact CB-CG2 4.02Å; M395-V483 WeakPolarHBondContact O-CG2 3.48Å; V483-I485 VanDerWaalsContact C-N 3.31Å; V483-I485 PolarHBondContact O-N 2.9Å
484G71.2Confident86.6Confident54 Ų5456 Ų5656%0.55728%0.28SS*.THydrogen-bonded Turntrans80.9-6.1-178.300000116.1R482 P486R482-G484 PolarHBondContact O-N 2.9Å; G484-P486 WeakPolarHBondContact O-CD 3.41Å
485I80.4Confident87Confident59 Ų5947.5 Ų47.530%0.30327%0.266SS..  trans-86.1122.5169-58.9178.8000109.2N429 R482 V483 Y487 R501N429-I485 PolarHBondContact ND2-O 3.3Å; R482-I485 HydrophobicContact CB-CD1 4Å; R482-I485 HydrophobicContact CB-CG1 4.49Å; R482-I485 WeakPolarHBondContact O-CB 3.24Å; R482-I485 WeakPolarHBondContact O-CG1 3.2Å; R482-I485 PolarHBondContact O-N 3.48Å; R482-I485 VanDerWaalsContact O-N 3.08Å; V483-I485 VanDerWaalsContact C-N 3.31Å; V483-I485 PolarHBondContact O-N 2.9Å; I485-Y487 WeakPolarHBondContact O-CD1 3.42Å; I485-R501 HydrophobicContact CG2-CG 4.44Å
486P87.8Confident87.3Confident31 Ų3148.5 Ų48.520%0.20127%0.269CS..  trans-67.7141.7176.4-24.437.3000113.3N429 L430 G484 I502 I507N429-P486 CarbonylContact O-C 3.55Å; N429-P486 WeakPolarHBondContact O-CA 3.42Å; N429-P486 WeakPolarHBondContact O-CB 3.36Å; L430-P486 HydrophobicContact CD1-CB 4.14Å; G484-P486 WeakPolarHBondContact O-CD 3.41Å; P486-I502 HydrophobicContact CB-CB 4.17Å; P486-I502 PolarHBondContact O-N 3.43Å; P486-I507 HydrophobicContact CG-CD1 3.98Å; P486-I507 HydrophobicContact CG-CG1 4.45Å
487Y93.2Very high87.9Confident0 Ų046.7 Ų46.70%026%0.259CS..EExtended strand (participates in β ladder)trans-152.2165.1-17766.8-92.3000113.6W394 M395 E427 N429 I485 F489 F499 G500W394-Y487 PolarHBondContact N-OH 2.99Å; M395-Y487 HydrophobicContact CE-CD1 3.55Å; M395-Y487 HydrophobicContact CE-CE1 3.24Å; E427-Y487 HydrophobicContact CG-CE2 4.46Å; E427-Y487 PolarHBondContact OE1-OH 3.06Å; E427-Y487 WeakPolarHBondContact OE2-CE2 3.39Å; E427-Y487 VanDerWaalsContact OE2-CZ 3.25Å; E427-Y487 PolarHBondContact OE2-OH 3.38Å; N429-Y487 HydrophobicContact CB-CD1 3.58Å; N429-Y487 HydrophobicContact CB-CD2 4.34Å; N429-Y487 HydrophobicContact CB-CE1 3.37Å; N429-Y487 HydrophobicContact CB-CE2 4.19Å; N429-Y487 HydrophobicContact CB-CG 4.07Å; N429-Y487 PolarHBondContact N-O 2.95Å; N429-Y487 VanDerWaalsContact ND2-CE1 3.26Å; N429-Y487 WeakPolarHBondContact ND2-CE1 3.38Å; N429-Y487 PolarHBondContact O-N 3.47Å; I485-Y487 WeakPolarHBondContact O-CD1 3.42Å; Y487-F489 HydrophobicContact CD2-CB 3.95Å; Y487-F489 HydrophobicContact CE2-CB 3.89Å; Y487-F499 HydrophobicContact CD1-CE2 4.46Å; Y487-F499 HydrophobicContact CD2-CD2 4.24Å; Y487-F499 AromaticContact CD2-CE2 3.61Å; Y487-F499 HydrophobicContact CD2-CE2 3.61Å; Y487-F499 HydrophobicContact CE2-CE2 4.38Å; Y487-F499 AromaticContact CG-CE2 3.65Å; Y487-F499 HydrophobicContact CG-CE2 3.65Å; Y487-F499 HydrophobicContact CG-CZ 4.18Å; Y487-G500 CarbonylContact C-O 3.56Å; Y487-G500 VanDerWaalsContact CA-O 3.31Å; Y487-G500 WeakPolarHBondContact CA-O 3.45Å; Y487-G500 WeakPolarHBondContact CB-O 3.33Å
488F95.3Very high88.4Confident0 Ų046.5 Ų46.50%026%0.258CS..EExtended strand (participates in β ladder)trans-120.4137.6162.1-166-81.9000109.1F426 R428 F454 P465 L468 V490 G500 F514F426-F488 HydrophobicContact CB-CE1 4.11Å; F426-F488 HydrophobicContact CB-CZ 3.9Å; F426-F488 AromaticContact CD2-CE2 3.92Å; F426-F488 HydrophobicContact CD2-CE2 3.92Å; F426-F488 AromaticContact CD2-CZ 3.57Å; F426-F488 HydrophobicContact CD2-CZ 3.57Å; F426-F488 HydrophobicContact CE2-CZ 4.39Å; F426-F488 AromaticContact CG-CZ 3.96Å; F426-F488 HydrophobicContact CG-CZ 3.96Å; R428-F488 HydrophobicContact CB-CD2 4.03Å; R428-F488 HydrophobicContact CB-CE2 4.15Å; R428-F488 HydrophobicContact CG-CD2 4.05Å; R428-F488 HydrophobicContact CG-CE2 4.4Å; F454-F488 AromaticContact CE1-CE1 3.99Å; F454-F488 HydrophobicContact CE1-CE1 3.99Å; F454-F488 HydrophobicContact CE1-CZ 4.36Å; P465-F488 HydrophobicContact CG-CD2 4.47Å; L468-F488 HydrophobicContact CD1-CD1 4.24Å; L468-F488 HydrophobicContact CD1-CE1 4.5Å; L468-F488 HydrophobicContact CD2-CB 4.28Å; L468-F488 HydrophobicContact CD2-CD1 3.93Å; F488-V490 HydrophobicContact CE1-CB 4.26Å; F488-G500 PolarHBondContact N-O 3.35Å; F488-G500 PolarHBondContact O-N 3.4Å; F488-F514 HydrophobicContact CD1-CD1 4.29Å; F488-F514 HydrophobicContact CD1-CE1 4.36Å; F488-F514 HydrophobicContact CD2-CD1 4.04Å; F488-F514 HydrophobicContact CE1-CD1 4.12Å; F488-F514 HydrophobicContact CE1-CE1 4.26Å; F488-F514 AromaticContact CE2-CD1 3.86Å; F488-F514 HydrophobicContact CE2-CD1 3.86Å; F488-F514 HydrophobicContact CG-CD1 4.26Å; F488-F514 AromaticContact CZ-CD1 3.91Å; F488-F514 HydrophobicContact CZ-CD1 3.91Å; F488-F514 HydrophobicContact CZ-CE1 4.46Å
489F96.5Very high89.1Confident9 Ų943.8 Ų43.84%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-135.1142.5-178.9172.5-115000109.9F426 E427 L477 Y487 E491 K497 L498 F499F426-F489 CarbonylContact C-O 3.47Å; F426-F489 WeakPolarHBondContact CA-O 3.46Å; F426-F489 WeakPolarHBondContact CB-O 3.41Å; E427-F489 HydrophobicContact CB-CB 4.4Å; E427-F489 HydrophobicContact CB-CD1 4.43Å; E427-F489 PolarHBondContact N-O 3.39Å; E427-F489 PolarHBondContact O-N 3.11Å; L477-F489 HydrophobicContact CD1-CD1 3.93Å; L477-F489 HydrophobicContact CD1-CD2 4.1Å; L477-F489 HydrophobicContact CD1-CE1 3.9Å; L477-F489 HydrophobicContact CD1-CE2 4.05Å; L477-F489 HydrophobicContact CD1-CG 4.03Å; L477-F489 HydrophobicContact CD1-CZ 3.95Å; L477-F489 HydrophobicContact CD2-CD2 3.69Å; L477-F489 HydrophobicContact CD2-CE2 3.82Å; L477-F489 HydrophobicContact CD2-CG 4.25Å; L477-F489 HydrophobicContact CG-CD2 4.39Å; L477-F489 HydrophobicContact CG-CE2 4.2Å; L477-F489 HydrophobicContact CG-CZ 4.43Å; Y487-F489 HydrophobicContact CD2-CB 3.95Å; Y487-F489 HydrophobicContact CE2-CB 3.89Å; F489-E491 HydrophobicContact CE1-CG 3.61Å; F489-E491 HydrophobicContact CE2-CG 4.45Å; F489-E491 HydrophobicContact CZ-CG 3.5Å; F489-E491 VanDerWaalsContact CZ-CG 3.5Å; F489-K497 HydrophobicContact CE2-CB 3.9Å; F489-K497 HydrophobicContact CE2-CD 4.07Å; F489-K497 HydrophobicContact CE2-CG 3.89Å; F489-K497 HydrophobicContact CZ-CB 4.4Å; F489-K497 HydrophobicContact CZ-CD 3.97Å; F489-K497 HydrophobicContact CZ-CG 3.88Å; F489-L498 WeakPolarHBondContact CD2-O 3.48Å; F489-F499 HydrophobicContact CB-CD2 4.25Å; F489-F499 HydrophobicContact CD2-CB 4.44Å; F489-F499 HydrophobicContact CD2-CD2 4.27Å
490V97.4Very high89.6Confident0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-143.5135.817555.30000111.1V424 T425 F426 F454 L468 F488 L492 L498V424-V490 HydrophobicContact CG1-CG2 3.83Å; T425-V490 CarbonylContact O-C 3.54Å; T425-V490 VanDerWaalsContact O-CA 3.3Å; T425-V490 WeakPolarHBondContact O-CA 3.4Å; T425-V490 WeakPolarHBondContact O-CG2 3.36Å; F426-V490 HydrophobicContact CB-CB 4.05Å; F426-V490 HydrophobicContact CB-CG2 4.22Å; F454-V490 HydrophobicContact CD1-CG1 4.06Å; F454-V490 HydrophobicContact CD2-CG2 4.3Å; F454-V490 HydrophobicContact CE1-CB 4.34Å; F454-V490 HydrophobicContact CE1-CG1 4.22Å; F454-V490 HydrophobicContact CE1-CG2 4.22Å; F454-V490 HydrophobicContact CE2-CG2 3.86Å; F454-V490 HydrophobicContact CG-CG1 4.31Å; F454-V490 HydrophobicContact CZ-CB 4.41Å; F454-V490 HydrophobicContact CZ-CG2 3.82Å; L468-V490 HydrophobicContact CD1-CG1 4.05Å; F488-V490 HydrophobicContact CE1-CB 4.26Å; V490-L492 HydrophobicContact CG2-CD2 4.23Å; V490-L498 HydrophobicContact CG1-CB 3.69Å; V490-L498 HydrophobicContact CG1-CD1 4.09Å; V490-L498 HydrophobicContact CG1-CG 4.11Å; V490-L498 PolarHBondContact N-O 3.03Å; V490-L498 PolarHBondContact O-N 3.03Å
491E96.7Very high89.9Confident34 Ų3442.8 Ų42.816%0.15923%0.233CC..EExtended strand (participates in β ladder)trans-101.9127.2166.8-51.5-161149.200109.5K409 V424 T425 F489 K497K409-E491 WeakPolarHBondContact CE-OE2 3.49Å; K409-E491 VanDerWaalsContact NZ-CD 3.27Å; K409-E491 IonicContact NZ-OE1 3.76Å; K409-E491 PolarHBondContact NZ-OE1 3.09Å; K409-E491 IonicContact NZ-OE2 2.76Å; K409-E491 PolarHBondContact NZ-OE2 2.93Å; V424-E491 WeakPolarHBondContact CG1-O 3.41Å; T425-E491 PolarHBondContact N-O 2.95Å; T425-E491 VanDerWaalsContact N-O 3.11Å; T425-E491 PolarHBondContact O-N 2.64Å; T425-E491 WeakPolarHBondContact OG1-CB 3.33Å; F489-E491 HydrophobicContact CE1-CG 3.61Å; F489-E491 HydrophobicContact CE2-CG 4.45Å; F489-E491 HydrophobicContact CZ-CG 3.5Å; F489-E491 VanDerWaalsContact CZ-CG 3.5Å; E491-K497 HydrophobicContact CG-CG 4.26Å; E491-K497 WeakPolarHBondContact OE1-CE 3.43Å
492L96Very high90.1Very high7 Ų743 Ų434%0.03723%0.233CC..  trans-92157.7-176.1-59.3168000110.8V450 K451 F454 V490 T494 G495 E496 L498V450-L492 HydrophobicContact CG1-CD2 3.81Å; K451-L492 HydrophobicContact CB-CD1 3.74Å; K451-L492 HydrophobicContact CB-CD2 4.47Å; K451-L492 HydrophobicContact CD-CD1 4.04Å; K451-L492 HydrophobicContact CG-CD1 3.66Å; F454-L492 HydrophobicContact CD2-CD2 4.09Å; V490-L492 HydrophobicContact CG2-CD2 4.23Å; L492-T494 PolarHBondContact O-N 3.38Å; L492-G495 PolarHBondContact O-N 2.68Å; L492-E496 HydrophobicContact CB-CB 4.47Å; L492-E496 VanDerWaalsContact CB-O 3.31Å; L492-E496 WeakPolarHBondContact CB-O 3.1Å; L492-E496 HydrophobicContact CD1-CB 3.99Å; L492-E496 WeakPolarHBondContact CG-O 3.47Å; L492-E496 PolarHBondContact N-O 3.27Å; L492-L498 HydrophobicContact CD1-CD1 4Å; L492-L498 HydrophobicContact CD1-CD2 3.97Å; L492-L498 HydrophobicContact CD1-CG 3.74Å; L492-L498 HydrophobicContact CD2-CD1 4.42Å; L492-L498 HydrophobicContact CG-CG 4.31Å
493P92.1Very high90.5Very high33 Ų3335.8 Ų35.821%0.21421%0.212CC..THydrogen-bonded Turntrans-56.7-24.1178.8-27.736.8000114.7A422 V424 V442 A447 V450 G495A422-P493 HydrophobicContact CB-CB 3.74Å; A422-P493 HydrophobicContact CB-CG 4.08Å; V424-P493 HydrophobicContact CG2-CG 3.89Å; V442-P493 HydrophobicContact CG2-CG 4.38Å; A447-P493 HydrophobicContact CB-CB 3.94Å; A447-P493 HydrophobicContact CB-CG 4.14Å; V450-P493 HydrophobicContact CG2-CG 4.47Å; P493-G495 PolarHBondContact O-N 3.47Å
494T87.7Confident90.8Very high76 Ų7641 Ų4147%0.46623%0.229SC..THydrogen-bonded Turntrans-74.4-3.1176.1560000114.2L492 E496L492-T494 PolarHBondContact O-N 3.38Å; T494-E496 WeakPolarHBondContact OG1-CB 3.09Å; T494-E496 WeakPolarHBondContact OG1-CG 3.48Å; T494-E496 PolarHBondContact OG1-OE2 2.9Å
495G89.2Confident91.4Very high55 Ų5544.3 Ų44.357%0.56723%0.234SC*.SBendtrans74.213.6-169.700000113.5L492 P493L492-G495 PolarHBondContact O-N 2.68Å; P493-G495 PolarHBondContact O-N 3.47Å
496E93Very high91.5Very high49 Ų4943.6 Ų43.623%0.22923%0.227CC..  trans-88134.5173.6-65.6-178.7103.700110.8K451 L492 T494K451-E496 WeakPolarHBondContact CD-OE2 3.5Å; K451-E496 IonicContact NZ-OE1 3.77Å; K451-E496 PolarHBondContact NZ-OE1 3.47Å; K451-E496 IonicContact NZ-OE2 3.39Å; K451-E496 PolarHBondContact NZ-OE2 3.42Å; L492-E496 HydrophobicContact CB-CB 4.47Å; L492-E496 VanDerWaalsContact CB-O 3.31Å; L492-E496 WeakPolarHBondContact CB-O 3.1Å; L492-E496 HydrophobicContact CD1-CB 3.99Å; L492-E496 WeakPolarHBondContact CG-O 3.47Å; L492-E496 PolarHBondContact N-O 3.27Å; T494-E496 WeakPolarHBondContact OG1-CB 3.09Å; T494-E496 WeakPolarHBondContact OG1-CG 3.48Å; T494-E496 PolarHBondContact OG1-OE2 2.9Å
497K95.6Very high91.1Very high44 Ų4444.8 Ų44.819%0.19123%0.231CC..EExtended strand (participates in β ladder)trans-95.3132.4177.2-73.9178.6175.9177.70109.4V471 E476 F489 E491V471-K497 HydrophobicContact CB-CB 3.87Å; V471-K497 HydrophobicContact CG2-CB 4.18Å; V471-K497 PolarHBondContact N-O 3.23Å; E476-K497 VanDerWaalsContact CD-NZ 3.34Å; E476-K497 IonicContact OE1-NZ 2.82Å; E476-K497 PolarHBondContact OE1-NZ 3.06Å; E476-K497 VanDerWaalsContact OE1-NZ 3.07Å; E476-K497 IonicContact OE2-NZ 2.9Å; E476-K497 PolarHBondContact OE2-NZ 2.77Å; F489-K497 HydrophobicContact CE2-CB 3.9Å; F489-K497 HydrophobicContact CE2-CD 4.07Å; F489-K497 HydrophobicContact CE2-CG 3.89Å; F489-K497 HydrophobicContact CZ-CB 4.4Å; F489-K497 HydrophobicContact CZ-CD 3.97Å; F489-K497 HydrophobicContact CZ-CG 3.88Å; E491-K497 HydrophobicContact CG-CG 4.26Å; E491-K497 WeakPolarHBondContact OE1-CE 3.43Å
498L96.4Very high90.4Very high0 Ų049.1 Ų49.10%026%0.262CS..EExtended strand (participates in β ladder)trans-116.2145.1165.5-44.5177.8000110.2F454 L455 L468 K469 P470 F489 V490 L492F454-L498 HydrophobicContact CB-CD1 3.84Å; L455-L498 HydrophobicContact CD2-CD1 4.06Å; L455-L498 HydrophobicContact CD2-CD2 4.34Å; L455-L498 HydrophobicContact CG-CD1 4.14Å; L468-L498 HydrophobicContact CB-CB 4.29Å; L468-L498 HydrophobicContact CD1-CD1 4.48Å; K469-L498 WeakPolarHBondContact O-CA 3.41Å; P470-L498 HydrophobicContact CB-CD2 4.11Å; P470-L498 HydrophobicContact CG-CD2 3.98Å; F489-L498 WeakPolarHBondContact CD2-O 3.48Å; V490-L498 HydrophobicContact CG1-CB 3.69Å; V490-L498 HydrophobicContact CG1-CD1 4.09Å; V490-L498 HydrophobicContact CG1-CG 4.11Å; V490-L498 PolarHBondContact N-O 3.03Å; V490-L498 PolarHBondContact O-N 3.03Å; L492-L498 HydrophobicContact CD1-CD1 4Å; L492-L498 HydrophobicContact CD1-CD2 3.97Å; L492-L498 HydrophobicContact CD1-CG 3.74Å; L492-L498 HydrophobicContact CD2-CD1 4.42Å; L492-L498 HydrophobicContact CG-CG 4.31Å
499F96.2Very high89.8Confident18 Ų1853.6 Ų53.68%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-144145.8-175.3178.2-97.4000112.2K469 V471 L477 I480 C481 Y487 F489 R501K469-F499 PolarHBondContact N-O 3.36Å; K469-F499 PolarHBondContact O-N 2.89Å; V471-F499 HydrophobicContact CG2-CB 3.47Å; V471-F499 VanDerWaalsContact CG2-CB 3.47Å; L477-F499 HydrophobicContact CD2-CD2 3.59Å; L477-F499 HydrophobicContact CD2-CE2 3.95Å; L477-F499 HydrophobicContact CD2-CG 4.33Å; I480-F499 HydrophobicContact CD1-CB 4.06Å; I480-F499 HydrophobicContact CD1-CD1 3.63Å; I480-F499 HydrophobicContact CD1-CD2 4.36Å; I480-F499 HydrophobicContact CD1-CE1 4.14Å; I480-F499 HydrophobicContact CD1-CG 3.76Å; I480-F499 HydrophobicContact CG1-CD1 4.35Å; I480-F499 HydrophobicContact CG1-CE1 4.37Å; C481-F499 HydrophobicContact CB-CE1 4.34Å; C481-F499 HydrophobicContact CB-CE2 4.31Å; C481-F499 HydrophobicContact CB-CZ 3.61Å; Y487-F499 HydrophobicContact CD1-CE2 4.46Å; Y487-F499 HydrophobicContact CD2-CD2 4.24Å; Y487-F499 AromaticContact CD2-CE2 3.61Å; Y487-F499 HydrophobicContact CD2-CE2 3.61Å; Y487-F499 HydrophobicContact CE2-CE2 4.38Å; Y487-F499 AromaticContact CG-CE2 3.65Å; Y487-F499 HydrophobicContact CG-CE2 3.65Å; Y487-F499 HydrophobicContact CG-CZ 4.18Å; F489-F499 HydrophobicContact CB-CD2 4.25Å; F489-F499 HydrophobicContact CD2-CB 4.44Å; F489-F499 HydrophobicContact CD2-CD2 4.27Å; F499-R501 HydrophobicContact CE1-CG 3.63Å; F499-R501 HydrophobicContact CZ-CG 3.95Å
500G93.9Very high89.1Confident5 Ų553.5 Ų53.55%0.05229%0.294CS..EExtended strand (participates in β ladder)trans-146.9132.7170.900000111.7C466 Y487 F488C466-G500 PolarHBondContact SG-O 3.03Å; Y487-G500 CarbonylContact C-O 3.56Å; Y487-G500 VanDerWaalsContact CA-O 3.31Å; Y487-G500 WeakPolarHBondContact CA-O 3.45Å; Y487-G500 WeakPolarHBondContact CB-O 3.33Å; F488-G500 PolarHBondContact N-O 3.35Å; F488-G500 PolarHBondContact O-N 3.4Å
501R92.4Very high88.5Confident142 Ų14256.3 Ų56.354%0.53631%0.309SS..EExtended strand (participates in β ladder)trans-78.8136169-58.9-176.5-174.2162.80.6108.8C466 I480 I485 F499 P503C466-R501 VanDerWaalsContact CB-O 3.25Å; C466-R501 WeakPolarHBondContact CB-O 3.32Å; I480-R501 PolarHBondContact O-NE 3.32Å; I480-R501 PolarHBondContact O-NH2 2.76Å; I485-R501 HydrophobicContact CG2-CG 4.44Å; F499-R501 HydrophobicContact CE1-CG 3.63Å; F499-R501 HydrophobicContact CZ-CG 3.95Å; R501-P503 WeakPolarHBondContact O-CD 3.13Å
502I87.9Confident88Confident8 Ų857.5 Ų57.54%0.04132%0.316CS..PPolyproline II helixtrans-84.6117.4-179.9-61.4170.7000108.6L430 P465 C466 P486 R506 I507 A510L430-I502 HydrophobicContact CB-CD1 3.93Å; L430-I502 HydrophobicContact CD2-CD1 4.08Å; L430-I502 HydrophobicContact CG-CD1 4.46Å; P465-I502 HydrophobicContact CB-CD1 3.95Å; P465-I502 HydrophobicContact CB-CG1 4.04Å; P465-I502 HydrophobicContact CB-CG2 4.45Å; C466-I502 HydrophobicContact CB-CG1 4.09Å; P486-I502 HydrophobicContact CB-CB 4.17Å; P486-I502 PolarHBondContact O-N 3.43Å; I502-R506 HydrophobicContact CG2-CB 4.33Å; I502-I507 HydrophobicContact CG2-CG1 4.39Å; I502-A510 HydrophobicContact CG2-CB 4.43Å
503P86.2Confident87.8Confident49 Ų4958.3 Ų58.332%0.31832%0.319SS..PPolyproline II helixtrans-61.7149-178.3-23.935.1000112.5R501 D505 R506 I507R501-P503 WeakPolarHBondContact O-CD 3.13Å; P503-D505 VanDerWaalsContact C-N 3.26Å; P503-D505 WeakPolarHBondContact CB-OD1 3.49Å; P503-D505 PolarHBondContact O-N 3.26Å; P503-R506 HydrophobicContact CB-CB 4.39Å; P503-R506 HydrophobicContact CB-CG 4.09Å; P503-R506 HydrophobicContact CG-CG 4.16Å; P503-R506 WeakPolarHBondContact O-CA 2.98Å; P503-R506 PolarHBondContact O-N 2.66Å; P503-I507 PolarHBondContact O-N 2.91Å
504K81.2Confident87.9Confident189 Ų18956.7 Ų56.782%0.82231%0.309SS*.G310 helixtrans-60.6-36.6-175.6-72.6-171.8175.6-174.70112.8R506 I507K504-R506 VanDerWaalsContact C-N 3.28Å; K504-R506 PolarHBondContact O-N 2.81Å; K504-I507 HydrophobicContact CG-CD1 4.43Å; K504-I507 PolarHBondContact O-N 3.24Å
505D84.8Confident88.2Confident122 Ų12253.1 Ų53.165%0.65229%0.287SS*.G310 helixtrans-63.7-27.2172.551.1-70.4000113.5P503P503-D505 VanDerWaalsContact C-N 3.26Å; P503-D505 WeakPolarHBondContact CB-OD1 3.49Å; P503-D505 PolarHBondContact O-N 3.26Å
506R82.8Confident88.5Confident45 Ų4550.8 Ų50.817%0.1726%0.261CS..G310 helixtrans-90.9-12.4178.5-60.4-115.6-78.2-117.317113.4S464 P465 I502 P503 K504 S508 S509 A510S464-R506 VanDerWaalsContact O-CZ 3.32Å; S464-R506 PolarHBondContact O-NE 3.44Å; S464-R506 PolarHBondContact O-NH2 3.32Å; P465-R506 PolarHBondContact O-NE 2.9Å; I502-R506 HydrophobicContact CG2-CB 4.33Å; P503-R506 HydrophobicContact CB-CB 4.39Å; P503-R506 HydrophobicContact CB-CG 4.09Å; P503-R506 HydrophobicContact CG-CG 4.16Å; P503-R506 WeakPolarHBondContact O-CA 2.98Å; P503-R506 PolarHBondContact O-N 2.66Å; K504-R506 VanDerWaalsContact C-N 3.28Å; K504-R506 PolarHBondContact O-N 2.81Å; R506-S508 PolarHBondContact O-N 2.96Å; R506-S508 VanDerWaalsContact O-N 3.17Å; R506-S509 PolarHBondContact O-N 3.34Å; R506-A510 WeakPolarHBondContact O-CA 3.32Å; R506-A510 WeakPolarHBondContact O-CB 3.4Å; R506-A510 PolarHBondContact O-N 3.08Å
507I79.5Confident88.6Confident56 Ų5650.4 Ų50.429%0.28726%0.26SS..THydrogen-bonded Turntrans-56-35.7-177.6-73.6174.6000112.8L430 K431 P486 I502 P503 K504L430-I507 HydrophobicContact CD1-CB 4.35Å; L430-I507 HydrophobicContact CD1-CG1 4.17Å; L430-I507 HydrophobicContact CD1-CG2 4.03Å; K431-I507 WeakPolarHBondContact CE-O 3.33Å; K431-I507 PolarHBondContact NZ-O 3.11Å; K431-I507 VanDerWaalsContact NZ-O 3.12Å; P486-I507 HydrophobicContact CG-CD1 3.98Å; P486-I507 HydrophobicContact CG-CG1 4.45Å; I502-I507 HydrophobicContact CG2-CG1 4.39Å; P503-I507 PolarHBondContact O-N 2.91Å; K504-I507 HydrophobicContact CG-CD1 4.43Å; K504-I507 PolarHBondContact O-N 3.24Å
508S77.6Confident88.6Confident91 Ų9148.3 Ų48.364%0.63625%0.251SS*.THydrogen-bonded Turntrans-70.8-54.8178.849.40000111.8K431 R506K431-S508 PolarHBondContact NZ-O 2.99Å; R506-S508 PolarHBondContact O-N 2.96Å; R506-S508 VanDerWaalsContact O-N 3.17Å
509S82.2Confident88.6Confident93 Ų9348.3 Ų48.365%0.6525%0.251SS*.THydrogen-bonded Turntrans-87.7-16.3-171.352.50000115.8R506 N511R506-S509 PolarHBondContact O-N 3.34Å; S509-N511 PolarHBondContact O-N 2.85Å
510A82.1Confident88.7Confident8 Ų847.6 Ų47.67%0.06625%0.248CC..  trans-51.4122.9-178.400000112.6L430 P465 I502 R506 L512L430-A510 HydrophobicContact CD2-CB 3.52Å; P465-A510 HydrophobicContact CB-CB 3.74Å; I502-A510 HydrophobicContact CG2-CB 4.43Å; R506-A510 WeakPolarHBondContact O-CA 3.32Å; R506-A510 WeakPolarHBondContact O-CB 3.4Å; R506-A510 PolarHBondContact O-N 3.08Å; A510-L512 VanDerWaalsContact O-CD2 3.32Å; A510-L512 WeakPolarHBondContact O-CD2 3.49Å; A510-L512 PolarHBondContact O-N 3.47Å
511N85.9Confident88.8Confident58 Ų5848.4 Ų48.431%0.3125%0.252SS..  trans-67.8123.9177.2-168.4-33000110.1F463 S509 Q513 I517F463-N511 WeakPolarHBondContact O-CB 3.37Å; S509-N511 PolarHBondContact O-N 2.85Å; N511-Q513 VanDerWaalsContact C-N 3.28Å; N511-Q513 PolarHBondContact O-N 2.97Å; N511-Q513 WeakPolarHBondContact OD1-CB 3.39Å; N511-Q513 PolarHBondContact OD1-N 3.43Å; N511-I517 VanDerWaalsContact ND2-CD1 3.29Å; N511-I517 WeakPolarHBondContact ND2-CD1 3.2Å
512L86.4Confident88.9Confident60 Ų6045.9 Ų45.931%0.31425%0.254SS..THydrogen-bonded Turntrans-77.8-16.5-176.4-47-173.7000112.4R428 L430 K431 A510R428-L512 WeakPolarHBondContact CD-O 3.31Å; R428-L512 PolarHBondContact NE-O 2.84Å; L430-L512 HydrophobicContact CD2-CD2 3.78Å; L430-L512 HydrophobicContact CG-CD2 4.35Å; K431-L512 HydrophobicContact CD-CD1 4.23Å; K431-L512 HydrophobicContact CD-CD2 3.99Å; A510-L512 VanDerWaalsContact O-CD2 3.32Å; A510-L512 WeakPolarHBondContact O-CD2 3.49Å; A510-L512 PolarHBondContact O-N 3.47Å
513Q90.9Very high89.3Confident23 Ų2349.2 Ų49.211%0.10727%0.266CS..THydrogen-bonded Turntrans-92.66.3-179.7-44.4-61.99.500113.5N511 G515 R516 I517 D532 W533N511-Q513 VanDerWaalsContact C-N 3.28Å; N511-Q513 PolarHBondContact O-N 2.97Å; N511-Q513 WeakPolarHBondContact OD1-CB 3.39Å; N511-Q513 PolarHBondContact OD1-N 3.43Å; Q513-G515 VanDerWaalsContact C-N 3.29Å; Q513-G515 PolarHBondContact O-N 3.3Å; Q513-G515 VanDerWaalsContact O-N 3.09Å; Q513-R516 WeakPolarHBondContact O-CA 3.34Å; Q513-R516 VanDerWaalsContact O-CB 3.32Å; Q513-R516 WeakPolarHBondContact O-CB 3.49Å; Q513-R516 PolarHBondContact O-N 3.41Å; Q513-I517 HydrophobicContact CB-CD1 4.1Å; Q513-I517 HydrophobicContact CB-CG1 4.27Å; Q513-I517 PolarHBondContact O-N 3.32Å; Q513-D532 HydrophobicContact CG-CB 4.26Å; Q513-D532 VanDerWaalsContact CG-OD2 3.25Å; Q513-D532 WeakPolarHBondContact CG-OD2 3.47Å; Q513-D532 PolarHBondContact NE2-OD1 3.29Å; Q513-D532 PolarHBondContact NE2-OD2 3.09Å; Q513-W533 VanDerWaalsContact NE2-CD1 3.29Å
514F94Very high89.8Confident0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-48.6-43.9-171.3175.7-108.7000114.7F454 F463 S464 P465 L468 F488 R516 I517 V518F454-F514 HydrophobicContact CD1-CE1 4.49Å; F463-F514 HydrophobicContact CD2-CD2 4.16Å; F463-F514 HydrophobicContact CD2-CE2 4.24Å; F463-F514 HydrophobicContact CE2-CD2 4.46Å; F463-F514 HydrophobicContact CE2-CE2 4.12Å; S464-F514 WeakPolarHBondContact OG-CE2 3.17Å; S464-F514 WeakPolarHBondContact OG-CZ 3.48Å; P465-F514 HydrophobicContact CG-CB 4.01Å; P465-F514 HydrophobicContact CG-CD1 3.95Å; P465-F514 HydrophobicContact CG-CG 3.98Å; L468-F514 HydrophobicContact CD1-CE1 4.11Å; F488-F514 HydrophobicContact CD1-CD1 4.29Å; F488-F514 HydrophobicContact CD1-CE1 4.36Å; F488-F514 HydrophobicContact CD2-CD1 4.04Å; F488-F514 HydrophobicContact CE1-CD1 4.12Å; F488-F514 HydrophobicContact CE1-CE1 4.26Å; F488-F514 AromaticContact CE2-CD1 3.86Å; F488-F514 HydrophobicContact CE2-CD1 3.86Å; F488-F514 HydrophobicContact CG-CD1 4.26Å; F488-F514 AromaticContact CZ-CD1 3.91Å; F488-F514 HydrophobicContact CZ-CD1 3.91Å; F488-F514 HydrophobicContact CZ-CE1 4.46Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 2.86Å; F514-I517 PolarHBondContact O-N 3.14Å; F514-V518 HydrophobicContact CD2-CG2 4.22Å; F514-V518 HydrophobicContact CE1-CG2 4.19Å; F514-V518 HydrophobicContact CE2-CG2 3.76Å; F514-V518 HydrophobicContact CZ-CG2 3.73Å; F514-V518 WeakPolarHBondContact O-CG2 3.4Å; F514-V518 PolarHBondContact O-N 2.91Å
515G94.8Very high90.5Very high0 Ų039.9 Ų39.90%022%0.222CC..Hα-helixtrans-63.6-35.6176.500000113.9Q513 L519Q513-G515 VanDerWaalsContact C-N 3.29Å; Q513-G515 PolarHBondContact O-N 3.3Å; Q513-G515 VanDerWaalsContact O-N 3.09Å; G515-L519 WeakPolarHBondContact O-CD1 3.35Å; G515-L519 VanDerWaalsContact O-CG 3.31Å; G515-L519 WeakPolarHBondContact O-CG 3.36Å; G515-L519 PolarHBondContact O-N 3.37Å
516R95.5Very high91Very high7 Ų739 Ų393%0.02622%0.217CC..Hα-helixtrans-67.7-51.4172.8-58.6-17861.7106.4-4.6110.6G376 I378 F426 Q513 F514 V518 L519 T520 K530 A531 C536G376-R516 VanDerWaalsContact O-CZ 3.26Å; G376-R516 PolarHBondContact O-NH1 2.99Å; G376-R516 PolarHBondContact O-NH2 2.73Å; I378-R516 HydrophobicContact CD1-CB 4.08Å; I378-R516 HydrophobicContact CD1-CG 4.09Å; F426-R516 HydrophobicContact CZ-CG 4.49Å; Q513-R516 WeakPolarHBondContact O-CA 3.34Å; Q513-R516 VanDerWaalsContact O-CB 3.32Å; Q513-R516 WeakPolarHBondContact O-CB 3.49Å; Q513-R516 PolarHBondContact O-N 3.41Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 2.86Å; R516-V518 VanDerWaalsContact C-N 3.26Å; R516-V518 PolarHBondContact O-N 3.29Å; R516-L519 CarbonylContact O-C 3.59Å; R516-L519 PolarHBondContact O-N 3.34Å; R516-T520 WeakPolarHBondContact O-CG2 3.33Å; R516-T520 PolarHBondContact O-N 2.57Å; R516-T520 PolarHBondContact O-OG1 3.46Å; R516-K530 PolarHBondContact NE-O 3.37Å; R516-K530 VanDerWaalsContact NE-O 3.11Å; R516-K530 PolarHBondContact NH2-O 2.91Å; R516-A531 WeakPolarHBondContact CB-O 3.38Å; R516-A531 WeakPolarHBondContact CD-O 3.32Å; R516-A531 PolarHBondContact NE-O 2.9Å; R516-C536 PolarHBondContact NH2-SG 3.44Å
517I94.3Very high91.6Very high40 Ų4037.5 Ų37.521%0.20521%0.213CC..Hα-helixtrans-49.9-47.2179.2-69.5163.9000111.1N511 Q513 F514 T520 D521 A531N511-I517 VanDerWaalsContact ND2-CD1 3.29Å; N511-I517 WeakPolarHBondContact ND2-CD1 3.2Å; Q513-I517 HydrophobicContact CB-CD1 4.1Å; Q513-I517 HydrophobicContact CB-CG1 4.27Å; Q513-I517 PolarHBondContact O-N 3.32Å; F514-I517 PolarHBondContact O-N 3.14Å; I517-T520 WeakPolarHBondContact CA-OG1 3.42Å; I517-T520 PolarHBondContact O-OG1 2.92Å; I517-D521 PolarHBondContact O-N 3.32Å; I517-A531 HydrophobicContact CG1-CB 4.02Å
518V96.1Very high92.3Very high0 Ų038.5 Ų38.50%022%0.223CC..Hα-helixtrans-62.7-44177.5173.40000112.1V453 F454 L457 F514 R516 D521 I524V453-V518 HydrophobicContact CG1-CG1 4.09Å; F454-V518 HydrophobicContact CB-CG1 4.31Å; F454-V518 HydrophobicContact CD1-CB 4.18Å; F454-V518 HydrophobicContact CD1-CG1 3.66Å; F454-V518 HydrophobicContact CD1-CG2 4.06Å; F454-V518 HydrophobicContact CD2-CG1 3.57Å; F454-V518 HydrophobicContact CE1-CB 3.89Å; F454-V518 HydrophobicContact CE1-CG1 3.7Å; F454-V518 HydrophobicContact CE1-CG2 4.04Å; F454-V518 HydrophobicContact CE2-CB 4.44Å; F454-V518 HydrophobicContact CE2-CG1 3.61Å; F454-V518 HydrophobicContact CG-CG1 3.59Å; F454-V518 HydrophobicContact CZ-CB 4.02Å; F454-V518 HydrophobicContact CZ-CG1 3.67Å; L457-V518 HydrophobicContact CB-CG2 4Å; L457-V518 HydrophobicContact CD1-CB 4.25Å; L457-V518 HydrophobicContact CD1-CG1 4.35Å; L457-V518 HydrophobicContact CD1-CG2 3.92Å; F514-V518 HydrophobicContact CD2-CG2 4.22Å; F514-V518 HydrophobicContact CE1-CG2 4.19Å; F514-V518 HydrophobicContact CE2-CG2 3.76Å; F514-V518 HydrophobicContact CZ-CG2 3.73Å; F514-V518 WeakPolarHBondContact O-CG2 3.4Å; F514-V518 PolarHBondContact O-N 2.91Å; R516-V518 VanDerWaalsContact C-N 3.26Å; R516-V518 PolarHBondContact O-N 3.29Å; V518-D521 WeakPolarHBondContact O-CB 3.1Å; V518-D521 PolarHBondContact O-N 2.65Å; V518-I524 HydrophobicContact CG1-CD1 4.5Å; V518-I524 WeakPolarHBondContact O-CD1 3.29Å
519L97Very high93.1Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-76.2-26.2-176.8-69.4168.3000113.2I378 V424 F426 V440 V442 V450 F454 G515 R516 D521 I524 L525I378-L519 HydrophobicContact CD1-CB 4.28Å; V424-L519 HydrophobicContact CB-CD2 4.38Å; V424-L519 HydrophobicContact CG1-CD2 4.27Å; V424-L519 HydrophobicContact CG2-CD2 4.15Å; F426-L519 HydrophobicContact CD1-CD1 3.94Å; F426-L519 HydrophobicContact CE1-CD1 3.67Å; V440-L519 HydrophobicContact CB-CD1 3.78Å; V440-L519 HydrophobicContact CG1-CD1 4.01Å; V440-L519 HydrophobicContact CG2-CD1 3.74Å; V442-L519 HydrophobicContact CG1-CD2 4.26Å; V450-L519 HydrophobicContact CG1-CD2 4.5Å; F454-L519 HydrophobicContact CE2-CD2 4.07Å; F454-L519 HydrophobicContact CE2-CG 4.32Å; F454-L519 HydrophobicContact CZ-CD2 4.5Å; F454-L519 HydrophobicContact CZ-CG 4.27Å; G515-L519 WeakPolarHBondContact O-CD1 3.35Å; G515-L519 VanDerWaalsContact O-CG 3.31Å; G515-L519 WeakPolarHBondContact O-CG 3.36Å; G515-L519 PolarHBondContact O-N 3.37Å; R516-L519 CarbonylContact O-C 3.59Å; R516-L519 PolarHBondContact O-N 3.34Å; L519-D521 VanDerWaalsContact C-N 3.27Å; L519-D521 PolarHBondContact O-N 2.61Å; L519-I524 HydrophobicContact CD2-CD1 4.31Å; L519-I524 HydrophobicContact CD2-CG2 4.31Å; L519-L525 HydrophobicContact CB-CD1 4.38Å; L519-L525 VanDerWaalsContact O-CB 3.26Å; L519-L525 WeakPolarHBondContact O-CB 3.03Å; L519-L525 WeakPolarHBondContact O-CG 3.45Å; L519-L525 PolarHBondContact O-N 3.27Å
520T96.7Very high93.7Very high4 Ų437.6 Ų37.63%0.02520%0.198CC..THydrogen-bonded Turntrans-77.5-7.7173.652.10000114.2I378 R516 I517 C527 K530I378-T520 HydrophobicContact CG2-CG2 3.84Å; R516-T520 WeakPolarHBondContact O-CG2 3.33Å; R516-T520 PolarHBondContact O-N 2.57Å; R516-T520 PolarHBondContact O-OG1 3.46Å; I517-T520 WeakPolarHBondContact CA-OG1 3.42Å; I517-T520 PolarHBondContact O-OG1 2.92Å; T520-C527 WeakPolarHBondContact CB-O 3.04Å; T520-C527 VanDerWaalsContact CG2-O 3.24Å; T520-C527 WeakPolarHBondContact CG2-O 3.45Å; T520-C527 PolarHBondContact O-N 3Å; T520-K530 HydrophobicContact CG2-CB 4.2Å
521D96.2Very high94.2Very high22 Ų2238.3 Ų38.312%0.11820%0.204CC..SBendtrans-51.6142178.1-175.9-67.4000111.3V453 L457 I517 V518 L519 R523 I524 L525 N526V453-D521 HydrophobicContact CG1-CB 3.94Å; L457-D521 HydrophobicContact CD1-CB 4.5Å; I517-D521 PolarHBondContact O-N 3.32Å; V518-D521 WeakPolarHBondContact O-CB 3.1Å; V518-D521 PolarHBondContact O-N 2.65Å; L519-D521 VanDerWaalsContact C-N 3.27Å; L519-D521 PolarHBondContact O-N 2.61Å; D521-R523 PolarHBondContact O-N 3.17Å; D521-R523 VanDerWaalsContact OD1-CB 3.25Å; D521-R523 WeakPolarHBondContact OD1-CB 3.23Å; D521-R523 WeakPolarHBondContact OD1-CG 3.25Å; D521-R523 IonicContact OD1-CZ 2.75Å; D521-R523 PolarHBondContact OD1-N 2.85Å; D521-R523 IonicContact OD1-NE 3.75Å; D521-R523 PolarHBondContact OD1-NE 3.12Å; D521-R523 IonicContact OD1-NH2 3.03Å; D521-R523 IonicContact OD2-CZ 2.75Å; D521-R523 IonicContact OD2-NE 2.69Å; D521-R523 PolarHBondContact OD2-NE 3.32Å; D521-R523 IonicContact OD2-NH2 4Å; D521-R523 PolarHBondContact OD2-NH2 3.09Å; D521-I524 PolarHBondContact O-N 2.77Å; D521-L525 PolarHBondContact O-N 3.23Å; D521-N526 PolarHBondContact O-N 2.81Å; D521-N526 VanDerWaalsContact O-N 3.11Å
522P95.4Very high94.4Very high89 Ų8937.7 Ų37.758%0.57820%0.201SC*.THydrogen-bonded Turntrans-51.1-21.2176.9-31.438000116.3N526P522-N526 WeakPolarHBondContact CA-OD1 3.33Å; P522-N526 WeakPolarHBondContact CB-OD1 3.23Å
523R95.4Very high94.6Very high77 Ų7738.4 Ų38.429%0.29120%0.199SC..THydrogen-bonded Turntrans-81.5-16.9177.1-65.7169.2-77.8-169.1-4.1114.4V446 V453 E456 D521V446-R523 WeakPolarHBondContact CG1-O 3.24Å; V453-R523 HydrophobicContact CG2-CB 4.02Å; E456-R523 IonicContact OE1-CZ 2.77Å; E456-R523 VanDerWaalsContact OE1-CZ 3.28Å; E456-R523 IonicContact OE1-NH1 2.82Å; E456-R523 PolarHBondContact OE1-NH1 2.65Å; E456-R523 IonicContact OE1-NH2 3.82Å; E456-R523 PolarHBondContact OE1-NH2 3.02Å; E456-R523 IonicContact OE2-CZ 3.15Å; E456-R523 IonicContact OE2-NH1 3.23Å; E456-R523 PolarHBondContact OE2-NH1 3.41Å; D521-R523 PolarHBondContact O-N 3.17Å; D521-R523 VanDerWaalsContact OD1-CB 3.25Å; D521-R523 WeakPolarHBondContact OD1-CB 3.23Å; D521-R523 WeakPolarHBondContact OD1-CG 3.25Å; D521-R523 IonicContact OD1-CZ 2.75Å; D521-R523 PolarHBondContact OD1-N 2.85Å; D521-R523 IonicContact OD1-NE 3.75Å; D521-R523 PolarHBondContact OD1-NE 3.12Å; D521-R523 IonicContact OD1-NH2 3.03Å; D521-R523 IonicContact OD2-CZ 2.75Å; D521-R523 IonicContact OD2-NE 2.69Å; D521-R523 PolarHBondContact OD2-NE 3.32Å; D521-R523 IonicContact OD2-NH2 4Å; D521-R523 PolarHBondContact OD2-NH2 3.09Å
524I96.3Very high94.5Very high8 Ų842.7 Ų42.74%0.04122%0.219CC..THydrogen-bonded Turntrans-116.6-67.3-173.9-47.4-176.5000111.9V442 V446 V450 V453 V518 L519 D521V442-I524 HydrophobicContact CB-CG2 4.13Å; V442-I524 HydrophobicContact CG1-CG2 3.61Å; V446-I524 HydrophobicContact CG2-CG2 3.98Å; V450-I524 HydrophobicContact CB-CD1 4.36Å; V450-I524 HydrophobicContact CG1-CD1 4.34Å; V450-I524 HydrophobicContact CG2-CD1 4.23Å; V450-I524 HydrophobicContact CG2-CG2 4.15Å; V453-I524 HydrophobicContact CB-CD1 3.99Å; V453-I524 HydrophobicContact CG1-CD1 4.05Å; V453-I524 HydrophobicContact CG2-CD1 4.23Å; V453-I524 HydrophobicContact CG2-CG1 4.23Å; V518-I524 HydrophobicContact CG1-CD1 4.5Å; V518-I524 WeakPolarHBondContact O-CD1 3.29Å; L519-I524 HydrophobicContact CD2-CD1 4.31Å; L519-I524 HydrophobicContact CD2-CG2 4.31Å; D521-I524 PolarHBondContact O-N 2.77Å
525L96.3Very high94.3Very high35 Ų3549 Ų4918%0.18325%0.253CS..THydrogen-bonded Turntrans-119.5-16.8-178.9-61.6173.3000113.6I378 V379 V440 V442 L519 D521 C527I378-L525 HydrophobicContact CG2-CD1 3.64Å; V379-L525 HydrophobicContact CG1-CD1 4.03Å; V379-L525 HydrophobicContact CG1-CD2 4.06Å; V440-L525 HydrophobicContact CG1-CD1 3.95Å; V442-L525 HydrophobicContact CB-CD2 4.4Å; V442-L525 HydrophobicContact CG1-CD1 4.48Å; V442-L525 HydrophobicContact CG1-CD2 4.17Å; V442-L525 HydrophobicContact CG1-CG 4.35Å; L519-L525 HydrophobicContact CB-CD1 4.38Å; L519-L525 VanDerWaalsContact O-CB 3.26Å; L519-L525 WeakPolarHBondContact O-CB 3.03Å; L519-L525 WeakPolarHBondContact O-CG 3.45Å; L519-L525 PolarHBondContact O-N 3.27Å; D521-L525 PolarHBondContact O-N 3.23Å; L525-C527 VanDerWaalsContact CB-SG 3.58Å; L525-C527 PolarHBondContact O-N 3.15Å
526N96.1Very high94Very high104 Ų10450 Ų5056%0.55626%0.26SS*.  trans51.848.9176.5-169.659.3000114D521 P522D521-N526 PolarHBondContact O-N 2.81Å; D521-N526 VanDerWaalsContact O-N 3.11Å; P522-N526 WeakPolarHBondContact CA-OD1 3.33Å; P522-N526 WeakPolarHBondContact CB-OD1 3.23Å
527C95.5Very high93.7Very high13 Ų1352.4 Ų52.49%0.08828%0.275CS..  trans-134.558.4178.451.50000111.2I378 T520 L525 E529 K530I378-C527 VanDerWaalsContact CG2-SG 3.58Å; T520-C527 WeakPolarHBondContact CB-O 3.04Å; T520-C527 VanDerWaalsContact CG2-O 3.24Å; T520-C527 WeakPolarHBondContact CG2-O 3.45Å; T520-C527 PolarHBondContact O-N 3Å; L525-C527 VanDerWaalsContact CB-SG 3.58Å; L525-C527 PolarHBondContact O-N 3.15Å; C527-E529 WeakPolarHBondContact CA-OE1 3.45Å; C527-E529 WeakPolarHBondContact CA-OE2 3.38Å; C527-E529 WeakPolarHBondContact CB-OE1 3.25Å; C527-E529 PolarHBondContact O-N 3.21Å; C527-E529 VanDerWaalsContact O-N 3.14Å; C527-K530 PolarHBondContact O-N 3.39Å
528P93.7Very high93.5Very high76 Ų7653.1 Ų53.149%0.49428%0.279SS..G310 helixtrans-59.9-23.9-17427.1-36.7000113.9K530 A531P528-K530 PolarHBondContact O-N 3.25Å; P528-A531 WeakPolarHBondContact O-CB 3.44Å; P528-A531 PolarHBondContact O-N 3.47Å; P528-A531 VanDerWaalsContact O-N 3.11Å
529E94.1Very high93.3Very high117 Ų11760 Ų6055%0.54731%0.311SS..G310 helixtrans-63.4-16.5172.572.1-65.5155.500113.9C527C527-E529 WeakPolarHBondContact CA-OE1 3.45Å; C527-E529 WeakPolarHBondContact CA-OE2 3.38Å; C527-E529 WeakPolarHBondContact CB-OE1 3.25Å; C527-E529 PolarHBondContact O-N 3.21Å; C527-E529 VanDerWaalsContact O-N 3.14Å
530K95Very high93Very high48 Ų4864.6 Ų64.621%0.20933%0.333CS..G310 helixtrans-98.310.5174.5-61.5-165.9164.5-159.90113.7P377 I378 R516 T520 C527 P528 D532 C536P377-K530 PolarHBondContact O-NZ 2.88Å; I378-K530 WeakPolarHBondContact O-CD 2.85Å; I378-K530 PolarHBondContact O-NZ 3.47Å; I378-K530 VanDerWaalsContact O-NZ 3.09Å; R516-K530 PolarHBondContact NE-O 3.37Å; R516-K530 VanDerWaalsContact NE-O 3.11Å; R516-K530 PolarHBondContact NH2-O 2.91Å; T520-K530 HydrophobicContact CG2-CB 4.2Å; C527-K530 PolarHBondContact O-N 3.39Å; P528-K530 PolarHBondContact O-N 3.25Å; K530-D532 CarbonylContact C-O 3.32Å; K530-C536 HydrophobicContact CB-CB 4.4Å; K530-C536 HydrophobicContact CG-CB 3.87Å
531A92.3Very high92.9Very high23 Ų2370.8 Ų70.819%0.1937%0.366CS..SBendtrans-60.7-48.4-177.200000111.7R516 I517 P528R516-A531 WeakPolarHBondContact CB-O 3.38Å; R516-A531 WeakPolarHBondContact CD-O 3.32Å; R516-A531 PolarHBondContact NE-O 2.9Å; I517-A531 HydrophobicContact CG1-CB 4.02Å; P528-A531 WeakPolarHBondContact O-CB 3.44Å; P528-A531 PolarHBondContact O-N 3.47Å; P528-A531 VanDerWaalsContact O-N 3.11Å
532D91.1Very high92.8Very high46 Ų4675.3 Ų75.325%0.24639%0.386CS..SBendtrans-86.4149.4161.9-155.8-57.5000109.8Q513 K530 H534Q513-D532 HydrophobicContact CG-CB 4.26Å; Q513-D532 VanDerWaalsContact CG-OD2 3.25Å; Q513-D532 WeakPolarHBondContact CG-OD2 3.47Å; Q513-D532 PolarHBondContact NE2-OD1 3.29Å; Q513-D532 PolarHBondContact NE2-OD2 3.09Å; K530-D532 CarbonylContact C-O 3.32Å; D532-H534 IonicContact OD1-CE1 3.62Å; D532-H534 IonicContact OD1-CG 2.65Å; D532-H534 PolarHBondContact OD1-N 2.82Å; D532-H534 IonicContact OD1-ND1 2.75Å; D532-H534 PolarHBondContact OD1-ND1 2.81Å; D532-H534 IonicContact OD2-ND1 3.45Å
533W89.6Confident92.7Very high75 Ų7571.2 Ų71.228%0.28436%0.36SS..SBendtrans-83.2-24.8175.670.9-98.7000112.6R375 Q513 D535 C536 T537R375-W533 HydrophobicContact CB-CE3 4.22Å; R375-W533 HydrophobicContact CB-CZ3 4.31Å; Q513-W533 VanDerWaalsContact NE2-CD1 3.29Å; W533-D535 VanDerWaalsContact C-N 3.27Å; W533-D535 PolarHBondContact O-N 2.76Å; W533-C536 PolarHBondContact O-N 3.39Å; W533-T537 HydrophobicContact CE3-CG2 3.63Å; W533-T537 HydrophobicContact CZ3-CG2 3.77Å; W533-T537 VanDerWaalsContact O-CG2 3.29Å; W533-T537 WeakPolarHBondContact O-CG2 3.14Å; W533-T537 PolarHBondContact O-N 3.23Å
534H88.4Confident92.7Very high112 Ų11268.9 Ų68.952%0.51935%0.354SS..G310 helixtrans-65.8-31.8178.7-59.492.7000111.9D532 C536D532-H534 IonicContact OD1-CE1 3.62Å; D532-H534 IonicContact OD1-CG 2.65Å; D532-H534 PolarHBondContact OD1-N 2.82Å; D532-H534 IonicContact OD1-ND1 2.75Å; D532-H534 PolarHBondContact OD1-ND1 2.81Å; D532-H534 IonicContact OD2-ND1 3.45Å; H534-C536 VanDerWaalsContact C-N 3.27Å; H534-C536 PolarHBondContact O-N 3.04Å
535D90.1Very high92.6Very high134 Ų13472.8 Ų72.872%0.71738%0.375SS*.G310 helixtrans-80.4-7.5-178.3-62.5-36.4000113W533W533-D535 VanDerWaalsContact C-N 3.27Å; W533-D535 PolarHBondContact O-N 2.76Å
536C89.6Confident92.6Very high20 Ų2073.3 Ų73.314%0.13538%0.377CS..G310 helixtrans-136.931.5-175.278.40000114.1G376 R516 K530 W533 H534G376-C536 WeakPolarHBondContact CA-O 2.92Å; R516-C536 PolarHBondContact NH2-SG 3.44Å; K530-C536 HydrophobicContact CB-CB 4.4Å; K530-C536 HydrophobicContact CG-CB 3.87Å; W533-C536 PolarHBondContact O-N 3.39Å; H534-C536 VanDerWaalsContact C-N 3.27Å; H534-C536 PolarHBondContact O-N 3.04Å
537T89.3Confident92.5Very high57 Ų5768.3 Ų68.335%0.3535%0.351SS..PPolyproline II helixtrans-78.2129.9174.159.10000112.6R375 W533R375-T537 HydrophobicContact CB-CG2 4.45Å; W533-T537 HydrophobicContact CE3-CG2 3.63Å; W533-T537 HydrophobicContact CZ3-CG2 3.77Å; W533-T537 VanDerWaalsContact O-CG2 3.29Å; W533-T537 WeakPolarHBondContact O-CG2 3.14Å; W533-T537 PolarHBondContact O-N 3.23Å
538D88.5Confident92.5Very high55 Ų5572.1 Ų72.129%0.29437%0.366SS..PPolyproline II helixtrans-80.9167.6171.9-35.5-85.5000111.7R375 P377 E542 E543R375-D538 PolarHBondContact NH2-O 2.86Å; P377-D538 WeakPolarHBondContact CD-OD2 3.38Å; D538-E542 HydrophobicContact CB-CB 4.01Å; D538-E543 HydrophobicContact CB-CG 4.33Å
539E92.7Very high92.6Very high144 Ų14472.4 Ų72.467%0.67336%0.363SS*.PPolyproline II helixtrans-77161.4175.7-75.5-68.7175.400112.6D541 E542 E543E539-D541 VanDerWaalsContact C-N 3.3Å; E539-D541 PolarHBondContact O-N 3.35Å; E539-E542 HydrophobicContact CB-CG 4.47Å; E539-E542 PolarHBondContact N-OE2 2.94Å; E539-E542 VanDerWaalsContact N-OE2 3.1Å; E539-E542 PolarHBondContact O-N 2.94Å; E539-E543 WeakPolarHBondContact O-CB 3.25Å; E539-E543 PolarHBondContact O-N 3.02Å
540E91.8Very high92.8Very high97 Ų9766.9 Ų66.945%0.45334%0.337SS..Hα-helixtrans-61.9-32.1-171.9-175.5160.1142.600114K358 T544K358-E540 IonicContact NZ-OE2 2.69Å; K358-E540 PolarHBondContact NZ-OE2 3.36Å; E540-T544 WeakPolarHBondContact O-CB 3.19Å; E540-T544 PolarHBondContact O-N 3.25Å; E540-T544 PolarHBondContact O-OG1 2.85Å
541D93.6Very high92.8Very high134 Ų13468.4 Ų68.472%0.71734%0.342SS*.Hα-helixtrans-70-37.9173.8-75.5-38.2000112E539 T544 D545E539-D541 VanDerWaalsContact C-N 3.3Å; E539-D541 PolarHBondContact O-N 3.35Å; D541-T544 WeakPolarHBondContact O-CB 3.42Å; D541-T544 PolarHBondContact O-N 2.84Å; D541-D545 PolarHBondContact O-N 2.84Å
542E93.7Very high92.9Very high117 Ų11773.8 Ų73.855%0.54736%0.361SS..Hα-helixtrans-71.9-45.1178.5-60.4177.513900110.9D538 E539 T544 D545 L546D538-E542 HydrophobicContact CB-CB 4.01Å; E539-E542 HydrophobicContact CB-CG 4.47Å; E539-E542 PolarHBondContact N-OE2 2.94Å; E539-E542 VanDerWaalsContact N-OE2 3.1Å; E539-E542 PolarHBondContact O-N 2.94Å; E542-T544 PolarHBondContact O-N 2.85Å; E542-D545 PolarHBondContact O-N 2.97Å; E542-L546 WeakPolarHBondContact O-CB 3.36Å; E542-L546 PolarHBondContact O-N 3.3Å
543E94.2Very high93.1Very high4 Ų474.8 Ų74.82%0.01937%0.365CS..Hα-helixtrans-53.4-39167.8-77.9-172.6170.400111.5H360 L361 R375 D538 E539 A547H360-E543 IonicContact CD2-OE2 2.7Å; H360-E543 IonicContact CE1-OE2 2.8Å; H360-E543 PolarHBondContact CE1-OE2 2.83Å; H360-E543 WeakPolarHBondContact NE2-CB 3.36Å; H360-E543 IonicContact NE2-OE2 3.17Å; H360-E543 PolarHBondContact NE2-OE2 2.95Å; L361-E543 HydrophobicContact CD2-CB 3.81Å; L361-E543 HydrophobicContact CD2-CG 4.15Å; R375-E543 IonicContact CZ-OE1 2.68Å; R375-E543 IonicContact NE-OE1 3.07Å; R375-E543 PolarHBondContact NE-OE1 3.29Å; R375-E543 IonicContact NE-OE2 2.74Å; R375-E543 IonicContact NH2-OE1 2.77Å; R375-E543 PolarHBondContact NH2-OE1 2.98Å; D538-E543 HydrophobicContact CB-CG 4.33Å; E539-E543 WeakPolarHBondContact O-CB 3.25Å; E539-E543 PolarHBondContact O-N 3.02Å; E543-A547 WeakPolarHBondContact O-CB 3.24Å; E543-A547 PolarHBondContact O-N 3.4Å; E543-A547 VanDerWaalsContact O-N 3.11Å
544T94Very high93.4Very high28 Ų2871.3 Ų71.317%0.17235%0.352CS..Hα-helixtrans-72.2-44.2-179.6-66.60000112.2H360 E540 D541 E542 A547 K548H360-T544 WeakPolarHBondContact CB-OG1 3.44Å; H360-T544 PolarHBondContact CD2-OG1 3.32Å; E540-T544 WeakPolarHBondContact O-CB 3.19Å; E540-T544 PolarHBondContact O-N 3.25Å; E540-T544 PolarHBondContact O-OG1 2.85Å; D541-T544 WeakPolarHBondContact O-CB 3.42Å; D541-T544 PolarHBondContact O-N 2.84Å; E542-T544 PolarHBondContact O-N 2.85Å; T544-A547 PolarHBondContact O-N 3.34Å; T544-K548 WeakPolarHBondContact O-CG 3.26Å; T544-K548 PolarHBondContact O-N 2.76Å
545D95.5Very high93.6Very high90 Ų9071.9 Ų71.948%0.48136%0.358SS..Hα-helixtrans-69-38.8177.7-85.7-8.1000111.8D541 E542 A547 K548 D549D541-D545 PolarHBondContact O-N 2.84Å; E542-D545 PolarHBondContact O-N 2.97Å; D545-A547 VanDerWaalsContact C-N 3.31Å; D545-A547 PolarHBondContact O-N 3.35Å; D545-K548 WeakPolarHBondContact O-CB 3.37Å; D545-K548 PolarHBondContact O-N 3.11Å; D545-K548 WeakPolarHBondContact OD1-CD 3.29Å; D545-K548 WeakPolarHBondContact OD1-CE 3.13Å; D545-K548 IonicContact OD1-NZ 3.7Å; D545-K548 PolarHBondContact OD1-NZ 3.11Å; D545-D549 PolarHBondContact O-N 2.81Å
546L95.2Very high93.8Very high45 Ų4570 Ų7024%0.23635%0.353CS..Hα-helixtrans-58.5-43.4171.7-171.867.2000111.6L373 P377 P380 E542 K548 D549 F550L373-L546 HydrophobicContact CD1-CB 4.25Å; L373-L546 HydrophobicContact CD1-CD2 3.96Å; L373-L546 HydrophobicContact CD1-CG 3.73Å; P377-L546 HydrophobicContact CG-CD2 3.68Å; P380-L546 HydrophobicContact CB-CD1 3.83Å; E542-L546 WeakPolarHBondContact O-CB 3.36Å; E542-L546 PolarHBondContact O-N 3.3Å; L546-K548 VanDerWaalsContact C-N 3.34Å; L546-K548 PolarHBondContact O-N 2.94Å; L546-D549 PolarHBondContact O-N 3.48Å; L546-F550 PolarHBondContact O-N 3.45Å
547A94.8Very high94Very high0 Ų071.2 Ų71.20%036%0.356CS..Hα-helixtrans-67.2-30.817500000113H360 L373 E543 T544 D545 R551H360-A547 WeakPolarHBondContact O-CB 3.49Å; L373-A547 HydrophobicContact CD1-CB 4.02Å; E543-A547 WeakPolarHBondContact O-CB 3.24Å; E543-A547 PolarHBondContact O-N 3.4Å; E543-A547 VanDerWaalsContact O-N 3.11Å; T544-A547 PolarHBondContact O-N 3.34Å; D545-A547 VanDerWaalsContact C-N 3.31Å; D545-A547 PolarHBondContact O-N 3.35Å; A547-R551 VanDerWaalsContact O-CG 3.26Å; A547-R551 WeakPolarHBondContact O-CG 3.38Å; A547-R551 PolarHBondContact O-N 3.44Å; A547-R551 VanDerWaalsContact O-N 3.12Å; A547-R551 PolarHBondContact O-NH1 3.38Å
548K95.5Very high93.9Very high93 Ų9370.7 Ų70.740%0.40435%0.351SS..Hα-helixtrans-66.9-43.3172.3-70.5167-165.4146.70110.7T544 D545 L546 R551 K552T544-K548 WeakPolarHBondContact O-CG 3.26Å; T544-K548 PolarHBondContact O-N 2.76Å; D545-K548 WeakPolarHBondContact O-CB 3.37Å; D545-K548 PolarHBondContact O-N 3.11Å; D545-K548 WeakPolarHBondContact OD1-CD 3.29Å; D545-K548 WeakPolarHBondContact OD1-CE 3.13Å; D545-K548 IonicContact OD1-NZ 3.7Å; D545-K548 PolarHBondContact OD1-NZ 3.11Å; L546-K548 VanDerWaalsContact C-N 3.34Å; L546-K548 PolarHBondContact O-N 2.94Å; K548-R551 PolarHBondContact O-N 2.7Å; K548-K552 WeakPolarHBondContact O-CG 3.48Å; K548-K552 PolarHBondContact O-N 3.09Å; K548-K552 VanDerWaalsContact O-N 3.1Å
549D96.2Very high93.2Very high82 Ų8271.1 Ų71.144%0.43936%0.356SS..Hα-helixtrans-71.2-37-179.6-78.2-3.6000112.3D545 L546 K552 M553D545-D549 PolarHBondContact O-N 2.81Å; L546-D549 PolarHBondContact O-N 3.48Å; D549-K552 WeakPolarHBondContact O-CB 3.3Å; D549-K552 PolarHBondContact O-N 2.82Å; D549-K552 WeakPolarHBondContact OD1-CE 3.1Å; D549-K552 IonicContact OD1-NZ 2.85Å; D549-K552 PolarHBondContact OD1-NZ 2.79Å; D549-M553 WeakPolarHBondContact O-CG 3.17Å; D549-M553 PolarHBondContact O-N 3.1Å
550F96.8Very high91.5Very high1 Ų168 Ų680%0.00434%0.344CS..Hα-helixtrans-61-45.2170.2-163.8-75.3000112V363 V371 L373 D381 A383 L412 M415 L546 K552 M553 F554V363-F550 HydrophobicContact CB-CD1 4.19Å; V363-F550 HydrophobicContact CG1-CD1 3.55Å; V363-F550 HydrophobicContact CG1-CE1 3.89Å; V363-F550 HydrophobicContact CG2-CB 4.35Å; V363-F550 HydrophobicContact CG2-CD1 3.58Å; V363-F550 HydrophobicContact CG2-CE1 4.19Å; V363-F550 HydrophobicContact CG2-CG 4.17Å; V371-F550 HydrophobicContact CG1-CE1 4.49Å; L373-F550 HydrophobicContact CD1-CB 4.26Å; L373-F550 HydrophobicContact CD2-CB 4.15Å; L373-F550 HydrophobicContact CD2-CD1 4.44Å; L373-F550 HydrophobicContact CD2-CD2 3.61Å; L373-F550 HydrophobicContact CD2-CE2 4.08Å; L373-F550 HydrophobicContact CD2-CG 3.81Å; D381-F550 HydrophobicContact CB-CD2 4.05Å; D381-F550 HydrophobicContact CB-CE2 3.88Å; A383-F550 HydrophobicContact CB-CE2 4.16Å; A383-F550 HydrophobicContact CB-CZ 3.82Å; L412-F550 HydrophobicContact CD2-CE1 4.09Å; L412-F550 HydrophobicContact CD2-CZ 3.75Å; M415-F550 HydrophobicContact CE-CE1 4.27Å; M415-F550 HydrophobicContact CE-CE2 3.97Å; M415-F550 HydrophobicContact CE-CZ 3.61Å; M415-F550 HydrophobicContact SD-CZ 4.4Å; L546-F550 PolarHBondContact O-N 3.45Å; F550-K552 VanDerWaalsContact C-N 3.29Å; F550-K552 PolarHBondContact O-N 3.33Å; F550-M553 HydrophobicContact CB-CE 4.46Å; F550-M553 HydrophobicContact CD2-CE 4.28Å; F550-M553 PolarHBondContact O-N 3.43Å; F550-M553 VanDerWaalsContact O-N 3.09Å; F550-F554 HydrophobicContact CD1-CB 4.05Å; F550-F554 HydrophobicContact CE1-CB 3.88Å; F550-F554 HydrophobicContact CE1-CG 4.14Å; F550-F554 WeakPolarHBondContact O-CB 3.4Å; F550-F554 PolarHBondContact O-N 2.8Å
551R95.5Very high89.3Confident79 Ų7967.2 Ų67.230%0.29834%0.343SS..Hα-helixtrans-56.7-41.5174.7-73.8176.9-157102.6-9.8112H360 I362 V363 A547 K548 M553 F554 L555H360-R551 PolarHBondContact O-NH2 2.94Å; I362-R551 PolarHBondContact O-NE 2.86Å; I362-R551 PolarHBondContact O-NH2 3.17Å; V363-R551 HydrophobicContact CB-CG 4.28Å; V363-R551 HydrophobicContact CG1-CG 3.92Å; A547-R551 VanDerWaalsContact O-CG 3.26Å; A547-R551 WeakPolarHBondContact O-CG 3.38Å; A547-R551 PolarHBondContact O-N 3.44Å; A547-R551 VanDerWaalsContact O-N 3.12Å; A547-R551 PolarHBondContact O-NH1 3.38Å; K548-R551 PolarHBondContact O-N 2.7Å; R551-M553 PolarHBondContact O-N 2.85Å; R551-F554 PolarHBondContact O-N 3.02Å; R551-L555 WeakPolarHBondContact O-CB 3.39Å; R551-L555 PolarHBondContact O-N 3.45Å
552K95Very high86.9Confident136 Ų13667.5 Ų67.559%0.59134%0.344SS*.Hα-helixtrans-62.5-40175.2-64.8166.7-161.61660112.5K548 D549 F550K548-K552 WeakPolarHBondContact O-CG 3.48Å; K548-K552 PolarHBondContact O-N 3.09Å; K548-K552 VanDerWaalsContact O-N 3.1Å; D549-K552 WeakPolarHBondContact O-CB 3.3Å; D549-K552 PolarHBondContact O-N 2.82Å; D549-K552 WeakPolarHBondContact OD1-CE 3.1Å; D549-K552 IonicContact OD1-NZ 2.85Å; D549-K552 PolarHBondContact OD1-NZ 2.79Å; F550-K552 VanDerWaalsContact C-N 3.29Å; F550-K552 PolarHBondContact O-N 3.33Å
553M94.7Very high84.4Confident68 Ų6866.7 Ų66.734%0.33534%0.344SS..Hα-helixtrans-71.3-34.8177.9-69.5-171.8-66.500113D381 M415 Q419 D549 F550 R551 P556D381-M553 HydrophobicContact CB-CE 4.2Å; M415-M553 HydrophobicContact SD-CB 4Å; Q419-M553 PolarHBondContact NE2-SD 3.05Å; Q419-M553 VanDerWaalsContact NE2-SD 3.44Å; D549-M553 WeakPolarHBondContact O-CG 3.17Å; D549-M553 PolarHBondContact O-N 3.1Å; F550-M553 HydrophobicContact CB-CE 4.46Å; F550-M553 HydrophobicContact CD2-CE 4.28Å; F550-M553 PolarHBondContact O-N 3.43Å; F550-M553 VanDerWaalsContact O-N 3.09Å; R551-M553 PolarHBondContact O-N 2.85Å; M553-P556 WeakPolarHBondContact O-CD 3.39Å
554F95.9Very high81.8Confident1 Ų171.7 Ų71.70%0.00437%0.371CS..Hα-helixtrans-86-27.8-175.5-170.1-124.2000113.4V363 Y408 R411 L412 M415 F550 R551 P556 F557 D558V363-F554 HydrophobicContact CG1-CB 4.33Å; V363-F554 HydrophobicContact CG1-CD1 3.81Å; V363-F554 HydrophobicContact CG1-CG 4.41Å; Y408-F554 HydrophobicContact CD1-CE1 4.46Å; Y408-F554 HydrophobicContact CD1-CZ 4.11Å; Y408-F554 HydrophobicContact CE1-CE1 4.23Å; Y408-F554 HydrophobicContact CE1-CZ 4.3Å; R411-F554 HydrophobicContact CB-CE2 3.76Å; R411-F554 HydrophobicContact CB-CZ 3.81Å; L412-F554 HydrophobicContact CD2-CD2 3.76Å; L412-F554 HydrophobicContact CD2-CE2 3.58Å; L412-F554 HydrophobicContact CD2-CZ 4.23Å; L412-F554 HydrophobicContact CG-CE2 3.91Å; L412-F554 HydrophobicContact CG-CZ 4.35Å; M415-F554 HydrophobicContact CB-CD2 4.49Å; M415-F554 HydrophobicContact SD-CB 3.88Å; M415-F554 HydrophobicContact SD-CD2 3.88Å; M415-F554 HydrophobicContact SD-CG 4.37Å; F550-F554 HydrophobicContact CD1-CB 4.05Å; F550-F554 HydrophobicContact CE1-CB 3.88Å; F550-F554 HydrophobicContact CE1-CG 4.14Å; F550-F554 WeakPolarHBondContact O-CB 3.4Å; F550-F554 PolarHBondContact O-N 2.8Å; R551-F554 PolarHBondContact O-N 3.02Å; F554-P556 VanDerWaalsContact C-N 3.34Å; F554-P556 VanDerWaalsContact O-N 3.13Å; F554-F557 HydrophobicContact CD2-CB 4.26Å; F554-F557 HydrophobicContact CE2-CB 4.27Å; F554-F557 CarbonylContact O-C 3.55Å; F554-F557 WeakPolarHBondContact O-CA 3.18Å; F554-F557 WeakPolarHBondContact O-CB 3.32Å; F554-F557 PolarHBondContact O-N 3.22Å; F554-D558 HydrophobicContact CD1-CB 3.67Å; F554-D558 HydrophobicContact CE1-CB 3.56Å; F554-D558 VanDerWaalsContact CE1-OD1 3.28Å; F554-D558 WeakPolarHBondContact CE1-OD1 3.47Å; F554-D558 HydrophobicContact CG-CB 4.37Å; F554-D558 HydrophobicContact CZ-CB 4.17Å; F554-D558 PolarHBondContact O-N 2.69Å
555L93.7Very high79.2Confident125 Ų12577.6 Ų77.665%0.65440%0.401SS*.G310 helixtrans-47.8-40.3-177.7-176.665.3000115.4R551 F557 D558R551-L555 WeakPolarHBondContact O-CB 3.39Å; R551-L555 PolarHBondContact O-N 3.45Å; L555-F557 PolarHBondContact O-N 3.48Å; L555-D558 PolarHBondContact O-N 2.91Å
556P93.7Very high76.4Confident95 Ų9580.2 Ų80.262%0.61742%0.415SS*.G310 helixtrans-71-5.1176.5-17.232.9000114.9M553 F554M553-P556 WeakPolarHBondContact O-CD 3.39Å; F554-P556 VanDerWaalsContact C-N 3.34Å; F554-P556 VanDerWaalsContact O-N 3.13Å
557F93.3Very high73.7Confident45 Ų4584.2 Ų84.220%0.19744%0.437CS..G310 helixtrans-122-3.1-179.6-52.9-85000112.2R411 R414 M415 A418 F554 L555 V559R411-F557 WeakPolarHBondContact CB-O 3.46Å; R411-F557 WeakPolarHBondContact CD-O 3.31Å; R411-F557 VanDerWaalsContact CG-O 3.25Å; R411-F557 WeakPolarHBondContact CG-O 3.38Å; R414-F557 HydrophobicContact CB-CD1 3.61Å; R414-F557 HydrophobicContact CB-CE1 3.95Å; M415-F557 HydrophobicContact CB-CB 4.46Å; M415-F557 HydrophobicContact CB-CD1 4.42Å; M415-F557 HydrophobicContact CB-CD2 3.6Å; M415-F557 HydrophobicContact CB-CE2 3.88Å; M415-F557 HydrophobicContact CB-CG 3.9Å; M415-F557 HydrophobicContact CB-CZ 4.4Å; M415-F557 HydrophobicContact CG-CD2 3.71Å; M415-F557 HydrophobicContact CG-CE2 3.78Å; M415-F557 HydrophobicContact CG-CG 4.5Å; A418-F557 HydrophobicContact CB-CZ 3.93Å; F554-F557 HydrophobicContact CD2-CB 4.26Å; F554-F557 HydrophobicContact CE2-CB 4.27Å; F554-F557 CarbonylContact O-C 3.55Å; F554-F557 WeakPolarHBondContact O-CA 3.18Å; F554-F557 WeakPolarHBondContact O-CB 3.32Å; F554-F557 PolarHBondContact O-N 3.22Å; L555-F557 PolarHBondContact O-N 3.48Å; F557-V559 VanDerWaalsContact C-N 3.29Å; F557-V559 PolarHBondContact O-N 2.9Å
558D86.6Confident70.9Confident45 Ų4591.1 Ų91.124%0.24147%0.473CS..  trans-99.244.6-179.1-156.926.3000111.9S364 R411 F554 L555S364-D558 WeakPolarHBondContact CB-OD2 3.24Å; S364-D558 PolarHBondContact OG-OD1 3.41Å; S364-D558 VanDerWaalsContact OG-OD1 3.08Å; S364-D558 PolarHBondContact OG-OD2 2.68Å; R411-D558 IonicContact NH1-OD1 3.53Å; R411-D558 PolarHBondContact NH1-OD1 3.26Å; F554-D558 HydrophobicContact CD1-CB 3.67Å; F554-D558 HydrophobicContact CE1-CB 3.56Å; F554-D558 VanDerWaalsContact CE1-OD1 3.28Å; F554-D558 WeakPolarHBondContact CE1-OD1 3.47Å; F554-D558 HydrophobicContact CG-CB 4.37Å; F554-D558 HydrophobicContact CZ-CB 4.17Å; F554-D558 PolarHBondContact O-N 2.69Å; L555-D558 PolarHBondContact O-N 2.91Å
559V74.4Confident68Low64 Ų6494.1 Ų94.139%0.38849%0.494SS..SBendtrans-110.1143.1171-170.80000106.5F557 D563F557-V559 VanDerWaalsContact C-N 3.29Å; F557-V559 PolarHBondContact O-N 2.9Å; V559-D563 HydrophobicContact CG1-CB 4.07Å
560N56.6Low65Low80 Ų8096.6 Ų96.643%0.42851%0.513SS..  trans-70.5130.2170.9-60.3-9.9000107.3R411 D562 D563R411-N560 PolarHBondContact NH2-OD1 3.24Å; N560-D562 PolarHBondContact O-N 3.14Å; N560-D563 PolarHBondContact O-N 3.45Å; N560-D563 VanDerWaalsContact O-N 3.09Å
561D47Very low62.1Low79 Ų79110 Ų11042%0.42258%0.575SS.*THydrogen-bonded Turntrans-66.5-5.4-174.7-71.5-32.8000113R414R414-D561 IonicContact CZ-OD1 2.73Å; R414-D561 IonicContact CZ-OD2 2.71Å; R414-D561 IonicContact NH1-OD1 3.95Å; R414-D561 PolarHBondContact NH1-OD1 3.11Å; R414-D561 IonicContact NH1-OD2 2.9Å; R414-D561 IonicContact NH2-OD1 3.32Å; R414-D561 PolarHBondContact NH2-OD1 3.23Å; R414-D561 IonicContact NH2-OD2 2.66Å; R414-D561 PolarHBondContact NH2-OD2 2.94Å
562D42.5Very low60.5Low140 Ų140111.5 Ų111.575%0.74959%0.589SS**THydrogen-bonded Turntrans-70.8-21.9171-67.5-43.6000114.5N560N560-D562 PolarHBondContact O-N 3.14Å
563D41.3Very low58.7Low100 Ų100110.2 Ų110.254%0.53559%0.589SS.*SBendtrans-78-27.2-172.2-78.4-50.6000114.1V559 N560V559-D563 HydrophobicContact CG1-CB 4.07Å; N560-D563 PolarHBondContact O-N 3.45Å; N560-D563 VanDerWaalsContact O-N 3.09Å
564D39.9Very low56.7Low110 Ų110112.6 Ų112.659%0.58860%0.603SS**G310 helixtrans-85.4-21.4-167.5-102.4-26.2000114.9N566 N567D564-N566 PolarHBondContact O-N 3.42Å; D564-N567 PolarHBondContact O-N 2.75Å
565D38.9Very low54.3Low152 Ų152119.1 Ų119.181%0.81364%0.638SS**G310 helixtrans-69.7-7.4-170.9-1206.9000113.9
566N37.4Very low51.9Low145 Ų145118.8 Ų118.878%0.77564%0.637SS**G310 helixtrans-95.3-9.6-178.9-78.6-72.6000115.6D564D564-N566 PolarHBondContact O-N 3.42Å
567N37.2Very low49.1Very low129 Ų129120.3 Ų120.369%0.6964%0.638SS**SBendtrans-99.3-6.5-169.7-96.6-38.8000116.5D564 N569D564-N567 PolarHBondContact O-N 2.75Å; N567-N569 PolarHBondContact O-N 2.65Å
568N36.1Very low45.9Very low144 Ų144125.7 Ų125.777%0.7767%0.67SS**SBendtrans-95.647.5-173.8-77.7-61.2000114.5
569N35.1Very low42.8Very low156 Ų156131.9 Ų131.983%0.83470%0.703SS**  trans-145.328.7-178-97.7-53.8000116.9N567N567-N569 PolarHBondContact O-N 2.65Å
570T34.4Very low40.2Very low135 Ų135137.6 Ų137.683%0.82873%0.729SS**  trans-151.983.2166.832.80000113.8
571E36Very low38.7Very low281 Ų281142.8 Ų142.8100%1.31376%0.756SS**  -177.40122.7-97.3-167.8164.700111.2

Retrieved 571 of 571 residues in 259 ms (Link to these results)

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