A0A3Q0KFF1_SCHMA Loading...

DNA sliding clamp PCNA

This protein is an auxiliary protein of DNA polymerase delta and is involved in the control of eukaryotic DNA replication by increasing the polymerase's processivity during elongation of the leading strand.

AlphaFold DB , UniProt , Accession A0A3Q0KFF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 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
1M91.1Very high96.3Very high73 Ų7341.5 Ų41.536%0.3621%0.21SC..  0144.50-176.3178.6-177.100108.7D63 D94M1-D63 WeakPolarHBondContact CB-OD2 3.4Å; M1-D63 PolarHBondContact N-OD2 3.14Å; M1-D63 PolarHBondContact O-N 3Å; M1-D94 WeakPolarHBondContact CA-OD1 3.43Å; M1-D94 PolarHBondContact N-OD1 2.89Å
2F97.4Very high96.2Very high0 Ų038.3 Ų38.30%019%0.193CC..EExtended strand (participates in β ladder)trans-115.8130169.5168-108.1000110.6A4 C30 I35 Y60 R61 C62 L66 L68 L90 K91 A92F2-A4 HydrophobicContact CE1-CB 4.46Å; F2-A4 HydrophobicContact CE2-CB 3.83Å; F2-A4 HydrophobicContact CZ-CB 3.63Å; F2-C30 HydrophobicContact CD2-CB 3.77Å; F2-C30 HydrophobicContact CE2-CB 3.7Å; F2-C30 HydrophobicContact CG-CB 4.32Å; F2-C30 HydrophobicContact CZ-CB 4.2Å; F2-C30 VanDerWaalsContact CZ-SG 3.54Å; F2-I35 HydrophobicContact CE2-CD1 4.38Å; F2-I35 HydrophobicContact CE2-CG1 4.27Å; F2-I35 HydrophobicContact CZ-CD1 3.71Å; F2-I35 HydrophobicContact CZ-CG1 4.03Å; F2-Y60 AromaticContact CE2-CE2 3.92Å; F2-Y60 HydrophobicContact CE2-CE2 3.92Å; F2-R61 CarbonylContact C-O 3.58Å; F2-R61 WeakPolarHBondContact CA-O 3.44Å; F2-C62 HydrophobicContact CD2-CB 4.13Å; F2-L66 HydrophobicContact CB-CD1 3.59Å; F2-L68 HydrophobicContact CD1-CD1 4.1Å; F2-L68 HydrophobicContact CE1-CD1 4.15Å; F2-L90 HydrophobicContact CE1-CB 3.96Å; F2-L90 HydrophobicContact CZ-CB 4.47Å; F2-K91 WeakPolarHBondContact O-CA 3.42Å; F2-A92 HydrophobicContact CB-CB 4.35Å; F2-A92 HydrophobicContact CD1-CB 4.05Å; F2-A92 PolarHBondContact N-O 2.83Å; F2-A92 PolarHBondContact O-N 3.38Å
3E98.1Very high96.2Very high51 Ų5138.4 Ų38.424%0.23819%0.192CC..EExtended strand (participates in β ladder)trans-146.3122.3175-177.3164.6-176.600109.8R61 T89 L90 K91E3-R61 PolarHBondContact N-O 2.82Å; E3-R61 PolarHBondContact O-N 3.42Å; E3-T89 HydrophobicContact CG-CG2 3.7Å; E3-L90 VanDerWaalsContact CA-O 3.28Å; E3-L90 WeakPolarHBondContact CA-O 3.36Å; E3-K91 HydrophobicContact CG-CG 4.22Å; E3-K91 WeakPolarHBondContact OE1-CE 3Å; E3-K91 IonicContact OE1-NZ 3.89Å
4A98.3Very high96.3Very high1 Ų140.3 Ų40.31%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-136122.9-179.500000110.6F2 I35 F57 Y60 T89 L90F2-A4 HydrophobicContact CE1-CB 4.46Å; F2-A4 HydrophobicContact CE2-CB 3.83Å; F2-A4 HydrophobicContact CZ-CB 3.63Å; A4-I35 HydrophobicContact CB-CD1 4.24Å; A4-F57 HydrophobicContact CB-CD1 3.88Å; A4-F57 HydrophobicContact CB-CE1 3.8Å; A4-F57 HydrophobicContact CB-CZ 4.46Å; A4-Y60 HydrophobicContact CB-CD2 3.63Å; A4-Y60 HydrophobicContact CB-CE2 3.77Å; A4-T89 CarbonylContact O-C 3.56Å; A4-T89 WeakPolarHBondContact O-CA 3.48Å; A4-L90 PolarHBondContact N-O 2.87Å; A4-L90 PolarHBondContact O-N 3.26Å
5R98.1Very high96.3Very high40 Ų4038 Ų3815%0.15119%0.187CC..EExtended strand (participates in β ladder)trans-116.6125.6-175.6-175.8178.4179.183.6-13.3112.6F57 E58 T59 A87 I88 T89 E104R5-F57 CarbonylContact O-C 3.55Å; R5-F57 WeakPolarHBondContact O-CA 3.4Å; R5-F57 WeakPolarHBondContact O-CB 3.42Å; R5-E58 WeakPolarHBondContact CD-OE2 3.42Å; R5-E58 HydrophobicContact CG-CB 4.32Å; R5-E58 IonicContact CZ-OE2 3.51Å; R5-E58 IonicContact NE-OE2 3.89Å; R5-E58 PolarHBondContact NE-OE2 2.75Å; R5-E58 PolarHBondContact O-N 3.01Å; R5-T59 WeakPolarHBondContact CB-OG1 3.25Å; R5-T59 PolarHBondContact N-O 2.9Å; R5-A87 VanDerWaalsContact NH2-CB 3.31Å; R5-I88 CarbonylContact C-O 3.53Å; R5-I88 VanDerWaalsContact CA-O 3.3Å; R5-I88 WeakPolarHBondContact CA-O 3.36Å; R5-T89 HydrophobicContact CB-CG2 4.43Å; R5-T89 PolarHBondContact NH1-OG1 2.75Å; R5-E104 IonicContact CZ-OE2 2.76Å; R5-E104 IonicContact NH1-OE2 2.66Å; R5-E104 PolarHBondContact NH1-OE2 3.2Å; R5-E104 IonicContact NH2-OE2 2.7Å; R5-E104 PolarHBondContact NH2-OE2 3.19Å
6L97.2Very high96.3Very high12 Ų1235.8 Ų35.86%0.06318%0.176CC..EExtended strand (participates in β ladder)trans-107.4141166.8-66165.6000109.6Q8 I11 W12 G56 F57 A87 I88L6-Q8 PolarHBondContact O-N 3.03Å; L6-I11 HydrophobicContact CD1-CB 4.45Å; L6-I11 HydrophobicContact CD1-CG2 4.39Å; L6-W12 HydrophobicContact CD1-CB 4.31Å; L6-G56 WeakPolarHBondContact CD2-O 3.44Å; L6-F57 HydrophobicContact CD1-CE1 4.1Å; L6-F57 HydrophobicContact CD2-CD1 3.63Å; L6-F57 HydrophobicContact CD2-CE1 3.89Å; L6-F57 HydrophobicContact CD2-CG 4.11Å; L6-F57 HydrophobicContact CG-CD1 3.64Å; L6-F57 HydrophobicContact CG-CE1 3.72Å; L6-A87 WeakPolarHBondContact O-CA 3.44Å; L6-I88 HydrophobicContact CB-CG2 3.71Å; L6-I88 HydrophobicContact CD1-CG2 4.31Å; L6-I88 HydrophobicContact CG-CG2 4.48Å; L6-I88 PolarHBondContact N-O 3.18Å; L6-I88 PolarHBondContact O-N 3.38Å
7T95.7Very high96.2Very high81 Ų8137.1 Ų37.150%0.49718%0.184SC..SBendtrans-66.9-18.2176.854.70000113.2E58T7-E58 HydrophobicContact CG2-CB 3.99Å; T7-E58 HydrophobicContact CG2-CG 4.33Å
8Q94.7Very high96.2Very high86 Ų8635.7 Ų35.740%0.40218%0.179SC..  trans-140.1117.8-178.2-66-176.2-50.100110.9L6 D10 I11 D86L6-Q8 PolarHBondContact O-N 3.03Å; Q8-D10 PolarHBondContact O-N 2.85Å; Q8-I11 PolarHBondContact O-N 3.14Å; Q8-D86 CarbonylContact C-O 3.58Å; Q8-D86 WeakPolarHBondContact CA-O 3.36Å
9A96.6Very high96.2Very high0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-62.9-22.9174.900000112.5I11 W12 K13 A82 D86 I88A9-I11 VanDerWaalsContact C-N 3.26Å; A9-I11 PolarHBondContact O-N 2.9Å; A9-W12 PolarHBondContact O-N 3.23Å; A9-W12 VanDerWaalsContact O-N 3.16Å; A9-K13 HydrophobicContact CB-CD 4.43Å; A9-K13 VanDerWaalsContact O-CG 3.29Å; A9-K13 WeakPolarHBondContact O-CG 3.36Å; A9-K13 PolarHBondContact O-N 3.31Å; A9-A82 HydrophobicContact CB-CB 3.99Å; A9-D86 WeakPolarHBondContact CB-O 3.27Å; A9-D86 PolarHBondContact N-O 3.2Å; A9-I88 HydrophobicContact CB-CB 4.02Å; A9-I88 HydrophobicContact CB-CG2 4.17Å
10D96.2Very high96.1Very high51 Ų5134.9 Ų34.927%0.27317%0.174SC..Hα-helixtrans-55.1-37.2178-170.860.6000113.6Q8 K13 K14 G84Q8-D10 PolarHBondContact O-N 2.85Å; D10-K13 PolarHBondContact O-N 3.36Å; D10-K14 WeakPolarHBondContact O-CB 3.49Å; D10-K14 VanDerWaalsContact O-CG 3.26Å; D10-K14 WeakPolarHBondContact O-CG 3.36Å; D10-K14 PolarHBondContact O-N 2.59Å; D10-K14 WeakPolarHBondContact OD2-CD 3.2Å; D10-K14 WeakPolarHBondContact OD2-CE 3.41Å; D10-K14 IonicContact OD2-NZ 3.45Å; D10-K14 PolarHBondContact OD2-NZ 3.33Å; D10-G84 WeakPolarHBondContact CB-O 3.29Å; D10-G84 PolarHBondContact N-O 3.45Å; D10-G84 VanDerWaalsContact N-O 3.16Å
11I95.7Very high95.9Very high62 Ų6237.1 Ų37.132%0.31819%0.186SC..Hα-helixtrans-59.3-52.7177-63.9168.9000109.6L6 Q8 A9 K13 K14 V15L6-I11 HydrophobicContact CD1-CB 4.45Å; L6-I11 HydrophobicContact CD1-CG2 4.39Å; Q8-I11 PolarHBondContact O-N 3.14Å; A9-I11 VanDerWaalsContact C-N 3.26Å; A9-I11 PolarHBondContact O-N 2.9Å; I11-K13 PolarHBondContact O-N 3.34Å; I11-K14 PolarHBondContact O-N 2.71Å; I11-V15 WeakPolarHBondContact O-CG2 3.35Å; I11-V15 PolarHBondContact O-N 3.43Å
12W95.1Very high96Very high2 Ų234.6 Ų34.61%0.00817%0.174CC..Hα-helixtrans-68.4-36-178.3-165.4-110.7000112.3L6 A9 V15 I16 L28 I35 L52 L79 I88 L90 F101L6-W12 HydrophobicContact CD1-CB 4.31Å; A9-W12 PolarHBondContact O-N 3.23Å; A9-W12 VanDerWaalsContact O-N 3.16Å; W12-V15 PolarHBondContact O-N 2.79Å; W12-I16 HydrophobicContact CZ2-CD1 4.5Å; W12-I16 WeakPolarHBondContact O-CG1 3.16Å; W12-I16 PolarHBondContact O-N 3.25Å; W12-L28 HydrophobicContact CH2-CD1 3.83Å; W12-L28 HydrophobicContact CH2-CD2 4Å; W12-L28 HydrophobicContact CZ2-CD1 3.7Å; W12-L28 HydrophobicContact CZ2-CD2 4.43Å; W12-I35 HydrophobicContact CH2-CD1 4.48Å; W12-I35 HydrophobicContact CH2-CG2 4.36Å; W12-L52 HydrophobicContact CE3-CD1 3.44Å; W12-L52 VanDerWaalsContact CE3-CD1 3.44Å; W12-L52 HydrophobicContact CZ3-CD1 3.28Å; W12-L52 HydrophobicContact CZ3-CG 4.27Å; W12-L79 VanDerWaalsContact CD1-CD2 3.44Å; W12-L79 HydrophobicContact CG-CD1 4.36Å; W12-I88 HydrophobicContact CB-CD1 4.21Å; W12-I88 HydrophobicContact CG-CD1 4.11Å; W12-L90 HydrophobicContact CH2-CD1 4.3Å; W12-L90 HydrophobicContact CZ2-CD1 3.89Å; W12-F101 AromaticContact NE1-CE1 3.96Å
13K96.9Very high95.8Very high40 Ų4034.7 Ų34.717%0.17418%0.175CC..Hα-helixtrans-57.6-49.6172-72.3165.876.9102.60111.2A9 D10 I11 I16 D17 L79 A82A9-K13 HydrophobicContact CB-CD 4.43Å; A9-K13 VanDerWaalsContact O-CG 3.29Å; A9-K13 WeakPolarHBondContact O-CG 3.36Å; A9-K13 PolarHBondContact O-N 3.31Å; D10-K13 PolarHBondContact O-N 3.36Å; I11-K13 PolarHBondContact O-N 3.34Å; K13-I16 PolarHBondContact O-N 3.2Å; K13-D17 VanDerWaalsContact O-CB 3.29Å; K13-D17 WeakPolarHBondContact O-CB 3.12Å; K13-D17 PolarHBondContact O-N 2.65Å; K13-L79 HydrophobicContact CG-CB 3.96Å; K13-L79 PolarHBondContact NZ-O 3.33Å; K13-A82 PolarHBondContact NZ-O 2.9Å
14K96.8Very high95.6Very high65 Ų6537.7 Ų37.728%0.28319%0.189SC..Hα-helixtrans-63.3-41.2179-73.3167.7169.2168.40112.4D10 I11 D17 A18 P220 L221D10-K14 WeakPolarHBondContact O-CB 3.49Å; D10-K14 VanDerWaalsContact O-CG 3.26Å; D10-K14 WeakPolarHBondContact O-CG 3.36Å; D10-K14 PolarHBondContact O-N 2.59Å; D10-K14 WeakPolarHBondContact OD2-CD 3.2Å; D10-K14 WeakPolarHBondContact OD2-CE 3.41Å; D10-K14 IonicContact OD2-NZ 3.45Å; D10-K14 PolarHBondContact OD2-NZ 3.33Å; I11-K14 PolarHBondContact O-N 2.71Å; K14-D17 PolarHBondContact O-N 3.15Å; K14-A18 WeakPolarHBondContact O-CB 3.36Å; K14-A18 PolarHBondContact O-N 3.35Å; K14-P220 HydrophobicContact CD-CB 3.97Å; K14-P220 WeakPolarHBondContact CE-O 3.49Å; K14-P220 HydrophobicContact CG-CB 4.1Å; K14-P220 PolarHBondContact NZ-O 2.89Å; K14-L221 HydrophobicContact CB-CD2 3.47Å; K14-L221 VanDerWaalsContact CB-CD2 3.47Å; K14-L221 HydrophobicContact CB-CG 4.08Å; K14-L221 HydrophobicContact CD-CD2 4.44Å
15V96.3Very high95.4Very high6 Ų641.7 Ų41.74%0.03621%0.207CC..Hα-helixtrans-59.7-52.5176.1167.20000110.7I11 W12 D17 A18 I19 L50 L221I11-V15 WeakPolarHBondContact O-CG2 3.35Å; I11-V15 PolarHBondContact O-N 3.43Å; W12-V15 PolarHBondContact O-N 2.79Å; V15-D17 PolarHBondContact O-N 2.96Å; V15-A18 WeakPolarHBondContact O-CB 3.31Å; V15-A18 PolarHBondContact O-N 2.82Å; V15-I19 PolarHBondContact O-N 3.23Å; V15-L50 HydrophobicContact CG1-CD1 3.92Å; V15-L50 HydrophobicContact CG1-CD2 3.39Å; V15-L50 HydrophobicContact CG1-CG 4.31Å; V15-L50 HydrophobicContact CG2-CD1 4.39Å; V15-L221 HydrophobicContact CG2-CD1 4.43Å; V15-L221 HydrophobicContact CG2-CD2 3.83Å
16I96.3Very high95.2Very high2 Ų240 Ų401%0.0120%0.202CC..Hα-helixtrans-64.6-40.8179.6-66.8-58.3000111.3W12 K13 A18 I19 K20 I72 L79W12-I16 HydrophobicContact CZ2-CD1 4.5Å; W12-I16 WeakPolarHBondContact O-CG1 3.16Å; W12-I16 PolarHBondContact O-N 3.25Å; K13-I16 PolarHBondContact O-N 3.2Å; I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 3Å; I16-I19 HydrophobicContact CD1-CD1 4.26Å; I16-I19 PolarHBondContact O-N 3.38Å; I16-K20 WeakPolarHBondContact O-CB 3.47Å; I16-K20 PolarHBondContact O-N 2.94Å; I16-I72 HydrophobicContact CG2-CG2 4.03Å; I16-L79 HydrophobicContact CB-CD1 3.88Å; I16-L79 HydrophobicContact CG1-CD1 3.55Å; I16-L79 HydrophobicContact CG2-CD1 4.21Å
17D95.2Very high95.1Very high59 Ų5939.7 Ų39.732%0.31620%0.2SC..Hα-helixtrans-64.2-29177.1-82-26.2000113.4K13 K14 V15 K20K13-D17 VanDerWaalsContact O-CB 3.29Å; K13-D17 WeakPolarHBondContact O-CB 3.12Å; K13-D17 PolarHBondContact O-N 2.65Å; K14-D17 PolarHBondContact O-N 3.15Å; V15-D17 PolarHBondContact O-N 2.96Å; D17-K20 WeakPolarHBondContact OD1-CE 3.28Å; D17-K20 IonicContact OD1-NZ 2.59Å; D17-K20 PolarHBondContact OD1-NZ 2.98Å
18A95.8Very high95.2Very high11 Ų1136 Ų369%0.09118%0.178CC..Hα-helixtrans-71.6-29.1176.500000113.2K14 V15 I16 A218 L221K14-A18 WeakPolarHBondContact O-CB 3.36Å; K14-A18 PolarHBondContact O-N 3.35Å; V15-A18 WeakPolarHBondContact O-CB 3.31Å; V15-A18 PolarHBondContact O-N 2.82Å; I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 3Å; A18-A218 HydrophobicContact CB-CB 3.93Å; A18-L221 HydrophobicContact CB-CD1 4.18Å
19I95.4Very high95.2Very high10 Ų1032.6 Ų32.65%0.05116%0.162CC..Hα-helixtrans-107.7-21.5-172.669.7172.2000114.1V15 I16 D21 L22 V23 L37 V48 I72V15-I19 PolarHBondContact O-N 3.23Å; I16-I19 HydrophobicContact CD1-CD1 4.26Å; I16-I19 PolarHBondContact O-N 3.38Å; I19-D21 PolarHBondContact O-N 3.02Å; I19-L22 WeakPolarHBondContact O-CA 3.41Å; I19-L22 WeakPolarHBondContact O-CB 3.36Å; I19-L22 PolarHBondContact O-N 3.47Å; I19-V23 HydrophobicContact CB-CG2 4.11Å; I19-V23 HydrophobicContact CD1-CG2 4.34Å; I19-V23 HydrophobicContact CG1-CG2 4.32Å; I19-V23 WeakPolarHBondContact O-CG2 3.21Å; I19-V23 PolarHBondContact O-N 2.78Å; I19-L37 HydrophobicContact CD1-CD1 3.82Å; I19-L37 HydrophobicContact CD1-CD2 4.27Å; I19-V48 HydrophobicContact CG2-CG2 3.79Å; I19-I72 HydrophobicContact CD1-CD1 4.35Å; I19-I72 HydrophobicContact CD1-CG2 4.46Å; I19-I72 HydrophobicContact CG1-CG2 4.13Å
20K94.6Very high95.2Very high46 Ų4632.6 Ų32.620%0.216%0.162CC..THydrogen-bonded Turntrans-58.2-25.7-172.469.1-178.8177.5-1670115.6I16 D17 I72I16-K20 WeakPolarHBondContact O-CB 3.47Å; I16-K20 PolarHBondContact O-N 2.94Å; D17-K20 WeakPolarHBondContact OD1-CE 3.28Å; D17-K20 IonicContact OD1-NZ 2.59Å; D17-K20 PolarHBondContact OD1-NZ 2.98Å; K20-I72 HydrophobicContact CB-CG2 3.7Å
21D93.1Very high95.2Very high82 Ų8231.9 Ų31.944%0.43916%0.16SC..THydrogen-bonded Turntrans-94.5-4.8-179-61.5-45.2000111.8I19 I214 K217I19-D21 PolarHBondContact O-N 3.02Å; D21-I214 HydrophobicContact CB-CG2 4.31Å; D21-K217 VanDerWaalsContact CG-NZ 3.25Å; D21-K217 WeakPolarHBondContact OD2-CD 3.42Å; D21-K217 WeakPolarHBondContact OD2-CE 3.42Å; D21-K217 IonicContact OD2-NZ 2.71Å; D21-K217 PolarHBondContact OD2-NZ 3.41Å
22L92.9Very high95.3Very high19 Ų1935.7 Ų35.710%0.09918%0.176CC..THydrogen-bonded Turntrans-99.7-43.9174.8-164.568.5000111.2I19 D41 S46 V48 Y211 I214 F215I19-L22 WeakPolarHBondContact O-CA 3.41Å; I19-L22 WeakPolarHBondContact O-CB 3.36Å; I19-L22 PolarHBondContact O-N 3.47Å; L22-D41 HydrophobicContact CD1-CB 4.1Å; L22-D41 HydrophobicContact CG-CB 4.2Å; L22-D41 WeakPolarHBondContact O-CB 3.23Å; L22-S46 VanDerWaalsContact CD1-OG 3.29Å; L22-S46 WeakPolarHBondContact CD1-OG 3.46Å; L22-V48 HydrophobicContact CD2-CB 4.04Å; L22-V48 HydrophobicContact CD2-CG1 4.3Å; L22-Y211 HydrophobicContact CD1-CD1 4.31Å; L22-I214 HydrophobicContact CB-CG2 4.03Å; L22-I214 HydrophobicContact CD1-CG2 4.06Å; L22-F215 HydrophobicContact CD1-CE1 3.73Å; L22-F215 HydrophobicContact CD1-CZ 4.4Å; L22-F215 HydrophobicContact CD2-CD1 4.42Å; L22-F215 HydrophobicContact CD2-CE1 3.83Å; L22-F215 HydrophobicContact CG-CE1 4.44Å
23V93Very high95.4Very high3 Ų340.7 Ų40.72%0.01820%0.203CC..  trans-128.9130.3-173-62.40000110.8I19 A39 V48 I72I19-V23 HydrophobicContact CB-CG2 4.11Å; I19-V23 HydrophobicContact CD1-CG2 4.34Å; I19-V23 HydrophobicContact CG1-CG2 4.32Å; I19-V23 WeakPolarHBondContact O-CG2 3.21Å; I19-V23 PolarHBondContact O-N 2.78Å; V23-A39 HydrophobicContact CB-CB 4.18Å; V23-A39 HydrophobicContact CG1-CB 3.68Å; V23-A39 HydrophobicContact CG2-CB 4.45Å; V23-V48 HydrophobicContact CG1-CG1 4.08Å; V23-V48 HydrophobicContact CG2-CG1 4.39Å; V23-I72 HydrophobicContact CG2-CG1 4.32Å
24Q92.9Very high95.4Very high114 Ų11438.8 Ų38.853%0.53320%0.195SC..SBendtrans-82.7-40.4179.6-64.1-1759.700111.6I72Q24-I72 PolarHBondContact O-N 3.11Å
25E93.9Very high95.4Very high84 Ų8435.7 Ų35.739%0.39318%0.182SC..EExtended strand (participates in β ladder)trans-133139.7-176.4-65.1174.7-178.300108.3L70 M119 L121E25-L70 VanDerWaalsContact CA-O 3.29Å; E25-L70 WeakPolarHBondContact CA-O 3.32Å; E25-M119 HydrophobicContact CG-SD 4.43Å; E25-M119 WeakPolarHBondContact OE1-CE 3.48Å; E25-L121 HydrophobicContact CB-CD1 4.07Å; E25-L121 HydrophobicContact CB-CD2 4.18Å; E25-L121 WeakPolarHBondContact OE2-CD2 3.28Å
26A95Very high95.5Very high4 Ų437.2 Ų37.23%0.03319%0.193CC..EExtended strand (participates in β ladder)trans-156.1158.3174.300000110.7L37 A39 L70 I72A26-L37 HydrophobicContact CB-CD1 3.51Å; A26-L37 HydrophobicContact CB-CD2 4.11Å; A26-L37 HydrophobicContact CB-CG 3.78Å; A26-A39 HydrophobicContact CB-CB 3.94Å; A26-L70 PolarHBondContact N-O 3.33Å; A26-L70 PolarHBondContact O-N 3.43Å; A26-I72 HydrophobicContact CB-CD1 4.09Å; A26-I72 HydrophobicContact CB-CG1 4.34Å
27T95.7Very high95.5Very high6 Ų637.2 Ų37.24%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-97.4131.4176.9-66.10000110.2D29 V123T27-D29 WeakPolarHBondContact CG2-OD1 3.32Å; T27-V123 WeakPolarHBondContact OG1-CG2 2.96Å
28L96.2Very high95.5Very high3 Ų335.5 Ų35.52%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-88.6109.8163.9-59.3-177.3000109.1W12 C30 I35 S36 L37 L68 L70 L99W12-L28 HydrophobicContact CH2-CD1 3.83Å; W12-L28 HydrophobicContact CH2-CD2 4Å; W12-L28 HydrophobicContact CZ2-CD1 3.7Å; W12-L28 HydrophobicContact CZ2-CD2 4.43Å; L28-C30 PolarHBondContact O-N 2.81Å; L28-I35 HydrophobicContact CB-CG2 3.95Å; L28-I35 HydrophobicContact CD1-CG2 4.38Å; L28-I35 HydrophobicContact CD2-CG2 4.05Å; L28-I35 HydrophobicContact CG-CG2 4.36Å; L28-S36 WeakPolarHBondContact CA-O 3.41Å; L28-L37 HydrophobicContact CD2-CB 4.07Å; L28-L37 HydrophobicContact CD2-CD1 3.7Å; L28-L37 HydrophobicContact CD2-CG 4.46Å; L28-L68 HydrophobicContact CB-CB 4.29Å; L28-L68 PolarHBondContact N-O 2.94Å; L28-L68 PolarHBondContact O-N 2.75Å; L28-L70 HydrophobicContact CD1-CD1 3.38Å; L28-L70 HydrophobicContact CD1-CG 4.4Å; L28-L70 HydrophobicContact CG-CD1 3.72Å; L28-L70 HydrophobicContact CG-CG 4.39Å; L28-L99 HydrophobicContact CD1-CD2 4.49Å
29D95.7Very high95.4Very high16 Ų1635.7 Ų35.79%0.08618%0.184CC..EExtended strand (participates in β ladder)trans-87.8107.7172.7-59.8-60.2000109.1T27 I35 S36 S67 H125T27-D29 WeakPolarHBondContact CG2-OD1 3.32Å; D29-I35 WeakPolarHBondContact O-CA 3.36Å; D29-S36 PolarHBondContact N-O 2.88Å; D29-S36 PolarHBondContact O-N 2.87Å; D29-S36 PolarHBondContact O-OG 2.9Å; D29-S67 PolarHBondContact OD1-OG 2.85Å; D29-H125 IonicContact OD2-CD2 2.84Å; D29-H125 IonicContact OD2-CE1 2.6Å; D29-H125 PolarHBondContact OD2-CE1 2.82Å; D29-H125 IonicContact OD2-NE2 2.72Å; D29-H125 PolarHBondContact OD2-NE2 2.73Å
30C97.1Very high95.2Very high0 Ų038.8 Ų38.80%020%0.199CC..EExtended strand (participates in β ladder)trans-95.9122.1179.5-54.60000108.5F2 L28 C62 N65 L66F2-C30 HydrophobicContact CD2-CB 3.77Å; F2-C30 HydrophobicContact CE2-CB 3.7Å; F2-C30 HydrophobicContact CG-CB 4.32Å; F2-C30 HydrophobicContact CZ-CB 4.2Å; F2-C30 VanDerWaalsContact CZ-SG 3.54Å; L28-C30 PolarHBondContact O-N 2.81Å; C30-C62 VanDerWaalsContact C-SG 3.51Å; C30-C62 PolarHBondContact O-SG 2.89Å; C30-C62 VanDerWaalsContact O-SG 3.36Å; C30-N65 VanDerWaalsContact O-CA 3.31Å; C30-N65 WeakPolarHBondContact O-CA 3.22Å; C30-L66 HydrophobicContact CB-CB 4.37Å; C30-L66 PolarHBondContact N-O 2.65Å; C30-L66 PolarHBondContact O-N 2.91Å
31T96.6Very high95.2Very high36 Ų3637.2 Ų37.222%0.22119%0.193CC..EExtended strand (participates in β ladder)trans-129.8176.6175.768.40000109.8N33 G34 Y60 C62T31-N33 PolarHBondContact O-N 3.02Å; T31-N33 PolarHBondContact OG1-N 2.98Å; T31-G34 PolarHBondContact N-O 2.84Å; T31-G34 PolarHBondContact O-N 2.88Å; T31-G34 PolarHBondContact OG1-O 2.83Å; T31-Y60 WeakPolarHBondContact O-CE1 3.27Å; T31-Y60 VanDerWaalsContact O-CZ 3.29Å; T31-Y60 PolarHBondContact O-OH 2.91Å; T31-C62 WeakPolarHBondContact O-CB 3.29Å
32E96.6Very high95Very high142 Ų14239 Ų3966%0.66420%0.203SC*.THydrogen-bonded Turntrans-59-25.4171.865.3-177.7174.600113.6S54E32-S54 WeakPolarHBondContact O-CB 3.41Å; E32-S54 PolarHBondContact O-OG 3.34Å
33N96.8Very high95Very high107 Ų10741 Ų4157%0.57222%0.222SC*.THydrogen-bonded Turntrans-84.3-13.1-177.7-65.2-45.4000113.4T31 R53 S54T31-N33 PolarHBondContact O-N 3.02Å; T31-N33 PolarHBondContact OG1-N 2.98Å; N33-R53 WeakPolarHBondContact O-CA 3.33Å; N33-S54 PolarHBondContact O-N 3.19Å; N33-S54 PolarHBondContact O-OG 3.44Å
34G97.7Very high94.9Very high0 Ų047.3 Ų47.30%025%0.25CS..EExtended strand (participates in β ladder)trans138.6-166.4-177.500000114T31 L52 Y60T31-G34 PolarHBondContact N-O 2.84Å; T31-G34 PolarHBondContact O-N 2.88Å; T31-G34 PolarHBondContact OG1-O 2.83Å; G34-L52 CarbonylContact C-O 3.58Å; G34-L52 WeakPolarHBondContact CA-O 3.41Å; G34-Y60 WeakPolarHBondContact CA-OH 3.3Å; G34-Y60 PolarHBondContact O-OH 3.23Å
35I97.8Very high94.8Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-105.1122.1178.2-50.3175.9000108.3F2 A4 W12 L28 D29 L52 F57 Y60 L90F2-I35 HydrophobicContact CE2-CD1 4.38Å; F2-I35 HydrophobicContact CE2-CG1 4.27Å; F2-I35 HydrophobicContact CZ-CD1 3.71Å; F2-I35 HydrophobicContact CZ-CG1 4.03Å; A4-I35 HydrophobicContact CB-CD1 4.24Å; W12-I35 HydrophobicContact CH2-CD1 4.48Å; W12-I35 HydrophobicContact CH2-CG2 4.36Å; L28-I35 HydrophobicContact CB-CG2 3.95Å; L28-I35 HydrophobicContact CD1-CG2 4.38Å; L28-I35 HydrophobicContact CD2-CG2 4.05Å; L28-I35 HydrophobicContact CG-CG2 4.36Å; D29-I35 WeakPolarHBondContact O-CA 3.36Å; I35-L52 HydrophobicContact CB-CB 4.49Å; I35-L52 PolarHBondContact N-O 2.58Å; I35-L52 PolarHBondContact O-N 2.63Å; I35-F57 HydrophobicContact CD1-CE1 4.09Å; I35-F57 HydrophobicContact CD1-CZ 3.66Å; I35-F57 HydrophobicContact CG1-CZ 4.06Å; I35-Y60 HydrophobicContact CG1-CE2 3.97Å; I35-L90 HydrophobicContact CD1-CD1 4.04Å
36S96.7Very high94.8Very high38 Ų3843.2 Ų43.227%0.26624%0.239SC..EExtended strand (participates in β ladder)trans-113.4154.5171.351.50000111.8L28 D29 L50L28-S36 WeakPolarHBondContact CA-O 3.41Å; D29-S36 PolarHBondContact N-O 2.88Å; D29-S36 PolarHBondContact O-N 2.87Å; D29-S36 PolarHBondContact O-OG 2.9Å; S36-L50 VanDerWaalsContact CA-O 3.23Å; S36-L50 WeakPolarHBondContact CA-O 3.43Å
37L96Very high94.8Very high1 Ų146 Ų461%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-141.3132.6171.4175157.8000108I19 A26 L28 A39 V48 S49 L50 I72I19-L37 HydrophobicContact CD1-CD1 3.82Å; I19-L37 HydrophobicContact CD1-CD2 4.27Å; A26-L37 HydrophobicContact CB-CD1 3.51Å; A26-L37 HydrophobicContact CB-CD2 4.11Å; A26-L37 HydrophobicContact CB-CG 3.78Å; L28-L37 HydrophobicContact CD2-CB 4.07Å; L28-L37 HydrophobicContact CD2-CD1 3.7Å; L28-L37 HydrophobicContact CD2-CG 4.46Å; L37-A39 HydrophobicContact CD2-CB 4.3Å; L37-V48 HydrophobicContact CD2-CG1 3.92Å; L37-S49 WeakPolarHBondContact O-CA 3.37Å; L37-L50 HydrophobicContact CB-CB 4.22Å; L37-L50 HydrophobicContact CB-CD2 4.24Å; L37-L50 PolarHBondContact N-O 3.11Å; L37-L50 PolarHBondContact O-N 3.21Å; L37-I72 HydrophobicContact CD1-CD1 4.44Å
38Q95.3Very high94.7Very high24 Ų2446.8 Ų46.811%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-131.1130.2168.9-165.4-172.375.100109L47 V48 L126Q38-L47 HydrophobicContact CG-CD1 4.2Å; Q38-L47 HydrophobicContact CG-CD2 4.08Å; Q38-L47 HydrophobicContact CG-CG 4.23Å; Q38-V48 VanDerWaalsContact CA-O 3.32Å; Q38-V48 WeakPolarHBondContact CA-O 3.31Å; Q38-L126 PolarHBondContact NE2-O 2.76Å; Q38-L126 PolarHBondContact OE1-O 2.85Å
39A93.8Very high94.7Very high14 Ų1450.2 Ų50.212%0.11628%0.282CS..EExtended strand (participates in β ladder)trans-154.4146.4178.300000110.8V23 A26 L37 V48V23-A39 HydrophobicContact CB-CB 4.18Å; V23-A39 HydrophobicContact CG1-CB 3.68Å; V23-A39 HydrophobicContact CG2-CB 4.45Å; A26-A39 HydrophobicContact CB-CB 3.94Å; L37-A39 HydrophobicContact CD2-CB 4.3Å; A39-V48 HydrophobicContact CB-CG1 4.16Å; A39-V48 PolarHBondContact N-O 3.38Å; A39-V48 VanDerWaalsContact N-O 3.1Å; A39-V48 WeakPolarHBondContact O-CG1 3.4Å; A39-V48 PolarHBondContact O-N 3.35Å
40M92.9Very high94.7Very high75 Ų7551 Ų5137%0.36929%0.286SS..EExtended strand (participates in β ladder)trans-96.5154.7168.6-69.8-175.5-7400110.1H44 S46 L47 L126M40-H44 WeakPolarHBondContact CE-ND1 3.43Å; M40-H44 HydrophobicContact SD-CB 4.35Å; M40-H44 PolarHBondContact SD-ND1 2.88Å; M40-S46 VanDerWaalsContact CA-O 3.31Å; M40-S46 WeakPolarHBondContact CA-O 3.41Å; M40-L47 HydrophobicContact CG-CB 4.41Å; M40-L47 HydrophobicContact CG-CD1 4.24Å; M40-L126 HydrophobicContact CE-CD1 3.8Å; M40-L126 HydrophobicContact CG-CD1 4.12Å; M40-L126 HydrophobicContact SD-CD1 3.6Å
41D93.1Very high94.7Very high14 Ų1456.2 Ų56.28%0.07531%0.314CS..  trans-71.6167.6166.579.8-73.5000111.8L22 A43 H44 V45 S46 Y211L22-D41 HydrophobicContact CD1-CB 4.1Å; L22-D41 HydrophobicContact CG-CB 4.2Å; L22-D41 WeakPolarHBondContact O-CB 3.23Å; D41-A43 PolarHBondContact O-N 2.72Å; D41-A43 VanDerWaalsContact O-N 3.16Å; D41-A43 WeakPolarHBondContact OD2-CA 3.48Å; D41-A43 VanDerWaalsContact OD2-CB 3.24Å; D41-A43 WeakPolarHBondContact OD2-CB 3.48Å; D41-A43 PolarHBondContact OD2-N 2.93Å; D41-H44 PolarHBondContact O-N 3.41Å; D41-V45 PolarHBondContact OD1-N 2.83Å; D41-S46 WeakPolarHBondContact CB-OG 3.33Å; D41-S46 PolarHBondContact N-O 3.48Å; D41-S46 VanDerWaalsContact N-O 3.14Å; D41-S46 PolarHBondContact OD1-N 2.9Å; D41-S46 PolarHBondContact OD1-OG 2.89Å; D41-Y211 PolarHBondContact OD2-OH 3.04Å
42N90.3Very high94.7Very high120 Ų12055.9 Ų55.964%0.64231%0.31SS*.THydrogen-bonded Turntrans-61.9-24.3-177.8-69.2-10.9000114.1H44N42-H44 VanDerWaalsContact C-N 3.34Å
43A92.7Very high94.7Very high60 Ų6056.2 Ų56.250%0.49631%0.306SS..THydrogen-bonded Turntrans-88.6-2.2177.200000112.9D41 V45D41-A43 PolarHBondContact O-N 2.72Å; D41-A43 VanDerWaalsContact O-N 3.16Å; D41-A43 WeakPolarHBondContact OD2-CA 3.48Å; D41-A43 VanDerWaalsContact OD2-CB 3.24Å; D41-A43 WeakPolarHBondContact OD2-CB 3.48Å; D41-A43 PolarHBondContact OD2-N 2.93Å; A43-V45 HydrophobicContact CB-CG2 3.92Å; A43-V45 PolarHBondContact O-N 2.9Å
44H89.9Confident94.8Very high135 Ų13552.9 Ų52.963%0.62529%0.291SS*.SBendtrans54.632.9-176.3-61.2-82.5000113.6M40 D41 N42M40-H44 WeakPolarHBondContact CE-ND1 3.43Å; M40-H44 HydrophobicContact SD-CB 4.35Å; M40-H44 PolarHBondContact SD-ND1 2.88Å; D41-H44 PolarHBondContact O-N 3.41Å; N42-H44 VanDerWaalsContact C-N 3.34Å
45V91.9Very high94.7Very high100 Ų10058.1 Ų58.161%0.60632%0.318SS*.SBendtrans-98.1-28.7-179.8176.90000111.2D41 A43 Y211D41-V45 PolarHBondContact OD1-N 2.83Å; A43-V45 HydrophobicContact CB-CG2 3.92Å; A43-V45 PolarHBondContact O-N 2.9Å; V45-Y211 HydrophobicContact CB-CE1 4.38Å; V45-Y211 HydrophobicContact CB-CE2 4.1Å; V45-Y211 HydrophobicContact CG1-CD2 4.3Å; V45-Y211 HydrophobicContact CG1-CE2 3.72Å
46S93.5Very high94.6Very high12 Ų1260.7 Ų60.78%0.08435%0.345CS..  trans-131.8145.1-172.661.40000111.2L22 M40 D41L22-S46 VanDerWaalsContact CD1-OG 3.29Å; L22-S46 WeakPolarHBondContact CD1-OG 3.46Å; M40-S46 VanDerWaalsContact CA-O 3.31Å; M40-S46 WeakPolarHBondContact CA-O 3.41Å; D41-S46 WeakPolarHBondContact CB-OG 3.33Å; D41-S46 PolarHBondContact N-O 3.48Å; D41-S46 VanDerWaalsContact N-O 3.14Å; D41-S46 PolarHBondContact OD1-N 2.9Å; D41-S46 PolarHBondContact OD1-OG 2.89Å
47L94.2Very high94.7Very high63 Ų6359.9 Ų59.933%0.3334%0.337SS..EExtended strand (participates in β ladder)trans-125.5130.3178.7-178.8145.9000108.7Q38 M40 L126 I128Q38-L47 HydrophobicContact CG-CD1 4.2Å; Q38-L47 HydrophobicContact CG-CD2 4.08Å; Q38-L47 HydrophobicContact CG-CG 4.23Å; M40-L47 HydrophobicContact CG-CB 4.41Å; M40-L47 HydrophobicContact CG-CD1 4.24Å; L47-L126 HydrophobicContact CD1-CB 4.19Å; L47-L126 HydrophobicContact CD1-CD1 3.66Å; L47-L126 HydrophobicContact CD1-CG 4.49Å; L47-I128 HydrophobicContact CD2-CD1 3.98Å
48V94.9Very high94.8Very high23 Ų2365.2 Ų65.214%0.13936%0.362CS..EExtended strand (participates in β ladder)trans-99.1133.4165.959.30000109.3I19 L22 V23 L37 Q38 A39I19-V48 HydrophobicContact CG2-CG2 3.79Å; L22-V48 HydrophobicContact CD2-CB 4.04Å; L22-V48 HydrophobicContact CD2-CG1 4.3Å; V23-V48 HydrophobicContact CG1-CG1 4.08Å; V23-V48 HydrophobicContact CG2-CG1 4.39Å; L37-V48 HydrophobicContact CD2-CG1 3.92Å; Q38-V48 VanDerWaalsContact CA-O 3.32Å; Q38-V48 WeakPolarHBondContact CA-O 3.31Å; A39-V48 HydrophobicContact CB-CG1 4.16Å; A39-V48 PolarHBondContact N-O 3.38Å; A39-V48 VanDerWaalsContact N-O 3.1Å; A39-V48 WeakPolarHBondContact O-CG1 3.4Å; A39-V48 PolarHBondContact O-N 3.35Å
49S95.2Very high94.9Very high75 Ų7567.3 Ų67.352%0.52438%0.376SS..EExtended strand (participates in β ladder)trans-126.8122.1168-174.60000108.2L37L37-S49 WeakPolarHBondContact O-CA 3.37Å
50L96Very high95.1Very high31 Ų3168.9 Ų68.916%0.16238%0.379CS..EExtended strand (participates in β ladder)trans-121.7139.4-177.9171.574.7000108.8V15 S36 L37 L52V15-L50 HydrophobicContact CG1-CD1 3.92Å; V15-L50 HydrophobicContact CG1-CD2 3.39Å; V15-L50 HydrophobicContact CG1-CG 4.31Å; V15-L50 HydrophobicContact CG2-CD1 4.39Å; S36-L50 VanDerWaalsContact CA-O 3.23Å; S36-L50 WeakPolarHBondContact CA-O 3.43Å; L37-L50 HydrophobicContact CB-CB 4.22Å; L37-L50 HydrophobicContact CB-CD2 4.24Å; L37-L50 PolarHBondContact N-O 3.11Å; L37-L50 PolarHBondContact O-N 3.21Å; L50-L52 HydrophobicContact CD1-CD2 4.36Å
51L96.4Very high95.3Very high110 Ų11071.3 Ų71.358%0.57638%0.384SS*.EExtended strand (participates in β ladder)trans-136.1119.1169.8176.463.9000109.9R53L51-R53 HydrophobicContact CD2-CG 4.1Å; L51-R53 HydrophobicContact CG-CG 4.17Å
52L96.9Very high95.5Very high29 Ų2971.5 Ų71.515%0.15239%0.387CS..EExtended strand (participates in β ladder)trans-102.9108162.3-61.7-167.6000108.7W12 G34 I35 L50 F57W12-L52 HydrophobicContact CE3-CD1 3.44Å; W12-L52 VanDerWaalsContact CE3-CD1 3.44Å; W12-L52 HydrophobicContact CZ3-CD1 3.28Å; W12-L52 HydrophobicContact CZ3-CG 4.27Å; G34-L52 CarbonylContact C-O 3.58Å; G34-L52 WeakPolarHBondContact CA-O 3.41Å; I35-L52 HydrophobicContact CB-CB 4.49Å; I35-L52 PolarHBondContact N-O 2.58Å; I35-L52 PolarHBondContact O-N 2.63Å; L50-L52 HydrophobicContact CD1-CD2 4.36Å; L52-F57 HydrophobicContact CB-CE2 3.9Å; L52-F57 HydrophobicContact CB-CZ 3.84Å; L52-F57 HydrophobicContact CD1-CZ 4.04Å
53R97.6Very high95.7Very high150 Ų15069.6 Ų69.657%0.56638%0.377SS*.EExtended strand (participates in β ladder)trans-68.6145.8-179.6-63.3165.150.9140.10.3111.2N33 L51 D55 G56 F57N33-R53 WeakPolarHBondContact O-CA 3.33Å; L51-R53 HydrophobicContact CD2-CG 4.1Å; L51-R53 HydrophobicContact CG-CG 4.17Å; R53-D55 WeakPolarHBondContact CB-OD1 3.46Å; R53-D55 IonicContact CZ-OD1 3.45Å; R53-D55 IonicContact CZ-OD2 3.02Å; R53-D55 IonicContact NE-OD1 3.38Å; R53-D55 PolarHBondContact NE-OD1 3.25Å; R53-D55 IonicContact NE-OD2 3.41Å; R53-D55 PolarHBondContact NE-OD2 3.23Å; R53-D55 IonicContact NH2-OD1 2.83Å; R53-D55 IonicContact NH2-OD2 2.72Å; R53-D55 PolarHBondContact NH2-OD2 2.95Å; R53-D55 PolarHBondContact O-N 3.15Å; R53-G56 PolarHBondContact O-N 2.83Å; R53-F57 WeakPolarHBondContact O-CD2 3.13Å; R53-F57 VanDerWaalsContact O-CE2 3.32Å; R53-F57 WeakPolarHBondContact O-CE2 3.18Å
54S97.7Very high95.8Very high37 Ų3774.7 Ų74.726%0.25938%0.383SS..G310 helixtrans-60.5-28.5-17953.10000113.6E32 N33 G56 F57 Y60E32-S54 WeakPolarHBondContact O-CB 3.41Å; E32-S54 PolarHBondContact O-OG 3.34Å; N33-S54 PolarHBondContact O-N 3.19Å; N33-S54 PolarHBondContact O-OG 3.44Å; S54-G56 PolarHBondContact O-N 2.87Å; S54-F57 PolarHBondContact O-N 3.17Å; S54-Y60 VanDerWaalsContact CB-CD1 3.43Å
55D97.1Very high96Very high109 Ų10974.3 Ų74.358%0.58339%0.385SS*.G310 helixtrans-72.8-10174.962.9-12.8000114.4R53R53-D55 WeakPolarHBondContact CB-OD1 3.46Å; R53-D55 IonicContact CZ-OD1 3.45Å; R53-D55 IonicContact CZ-OD2 3.02Å; R53-D55 IonicContact NE-OD1 3.38Å; R53-D55 PolarHBondContact NE-OD1 3.25Å; R53-D55 IonicContact NE-OD2 3.41Å; R53-D55 PolarHBondContact NE-OD2 3.23Å; R53-D55 IonicContact NH2-OD1 2.83Å; R53-D55 IonicContact NH2-OD2 2.72Å; R53-D55 PolarHBondContact NH2-OD2 2.95Å; R53-D55 PolarHBondContact O-N 3.15Å
56G95.6Very high96.1Very high54 Ų5470.4 Ų70.456%0.55736%0.361SS*.G310 helixtrans-83.8-6.8172.500000114.6L6 R53 S54L6-G56 WeakPolarHBondContact CD2-O 3.44Å; R53-G56 PolarHBondContact O-N 2.83Å; S54-G56 PolarHBondContact O-N 2.87Å
57F97.8Very high96.2Very high22 Ų2273.9 Ų73.910%0.09639%0.385CS..SBendtrans-99.5149.8-178.6-65.1-95.7000111.3A4 R5 L6 I35 L52 R53 S54 Y60A4-F57 HydrophobicContact CB-CD1 3.88Å; A4-F57 HydrophobicContact CB-CE1 3.8Å; A4-F57 HydrophobicContact CB-CZ 4.46Å; R5-F57 CarbonylContact O-C 3.55Å; R5-F57 WeakPolarHBondContact O-CA 3.4Å; R5-F57 WeakPolarHBondContact O-CB 3.42Å; L6-F57 HydrophobicContact CD1-CE1 4.1Å; L6-F57 HydrophobicContact CD2-CD1 3.63Å; L6-F57 HydrophobicContact CD2-CE1 3.89Å; L6-F57 HydrophobicContact CD2-CG 4.11Å; L6-F57 HydrophobicContact CG-CD1 3.64Å; L6-F57 HydrophobicContact CG-CE1 3.72Å; I35-F57 HydrophobicContact CD1-CE1 4.09Å; I35-F57 HydrophobicContact CD1-CZ 3.66Å; I35-F57 HydrophobicContact CG1-CZ 4.06Å; L52-F57 HydrophobicContact CB-CE2 3.9Å; L52-F57 HydrophobicContact CB-CZ 3.84Å; L52-F57 HydrophobicContact CD1-CZ 4.04Å; R53-F57 WeakPolarHBondContact O-CD2 3.13Å; R53-F57 VanDerWaalsContact O-CE2 3.32Å; R53-F57 WeakPolarHBondContact O-CE2 3.18Å; S54-F57 PolarHBondContact O-N 3.17Å; F57-Y60 HydrophobicContact CB-CD2 4.3Å; F57-Y60 HydrophobicContact CD1-CD2 4.25Å; F57-Y60 AromaticContact CD2-CD2 3.58Å; F57-Y60 HydrophobicContact CD2-CD2 3.58Å; F57-Y60 HydrophobicContact CD2-CE2 4.2Å; F57-Y60 HydrophobicContact CD2-CG 4.34Å; F57-Y60 AromaticContact CE2-CD2 3.87Å; F57-Y60 HydrophobicContact CE2-CD2 3.87Å; F57-Y60 HydrophobicContact CE2-CE2 4.02Å; F57-Y60 AromaticContact CG-CD2 3.79Å; F57-Y60 HydrophobicContact CG-CD2 3.79Å; F57-Y60 HydrophobicContact CZ-CD2 4.34Å; F57-Y60 HydrophobicContact CZ-CE2 4.34Å
58E97.2Very high96.3Very high112 Ų11271 Ų7152%0.52337%0.37SS..SBendtrans-65.6-44.7172-178.4179.2-163.800110.7R5 T7R5-E58 WeakPolarHBondContact CD-OE2 3.42Å; R5-E58 HydrophobicContact CG-CB 4.32Å; R5-E58 IonicContact CZ-OE2 3.51Å; R5-E58 IonicContact NE-OE2 3.89Å; R5-E58 PolarHBondContact NE-OE2 2.75Å; R5-E58 PolarHBondContact O-N 3.01Å; T7-E58 HydrophobicContact CG2-CB 3.99Å; T7-E58 HydrophobicContact CG2-CG 4.33Å
59T97.3Very high96.4Very high68 Ų6870.1 Ų70.142%0.41737%0.366SS..EExtended strand (participates in β ladder)trans-136.1137.9169.660.90000109R5R5-T59 WeakPolarHBondContact CB-OG1 3.25Å; R5-T59 PolarHBondContact N-O 2.9Å
60Y98.3Very high96.4Very high47 Ų4766.6 Ų66.618%0.18434%0.341CS..EExtended strand (participates in β ladder)trans-141.6125.7178.2-169.5-89.5000110F2 A4 T31 G34 I35 S54 F57 C62F2-Y60 AromaticContact CE2-CE2 3.92Å; F2-Y60 HydrophobicContact CE2-CE2 3.92Å; A4-Y60 HydrophobicContact CB-CD2 3.63Å; A4-Y60 HydrophobicContact CB-CE2 3.77Å; T31-Y60 WeakPolarHBondContact O-CE1 3.27Å; T31-Y60 VanDerWaalsContact O-CZ 3.29Å; T31-Y60 PolarHBondContact O-OH 2.91Å; G34-Y60 WeakPolarHBondContact CA-OH 3.3Å; G34-Y60 PolarHBondContact O-OH 3.23Å; I35-Y60 HydrophobicContact CG1-CE2 3.97Å; S54-Y60 VanDerWaalsContact CB-CD1 3.43Å; F57-Y60 HydrophobicContact CB-CD2 4.3Å; F57-Y60 HydrophobicContact CD1-CD2 4.25Å; F57-Y60 AromaticContact CD2-CD2 3.58Å; F57-Y60 HydrophobicContact CD2-CD2 3.58Å; F57-Y60 HydrophobicContact CD2-CE2 4.2Å; F57-Y60 HydrophobicContact CD2-CG 4.34Å; F57-Y60 AromaticContact CE2-CD2 3.87Å; F57-Y60 HydrophobicContact CE2-CD2 3.87Å; F57-Y60 HydrophobicContact CE2-CE2 4.02Å; F57-Y60 AromaticContact CG-CD2 3.79Å; F57-Y60 HydrophobicContact CG-CD2 3.79Å; F57-Y60 HydrophobicContact CZ-CD2 4.34Å; F57-Y60 HydrophobicContact CZ-CE2 4.34Å; Y60-C62 HydrophobicContact CE1-CB 3.82Å
61R97.8Very high96.4Very high126 Ų12667 Ų6748%0.47534%0.344SS..EExtended strand (participates in β ladder)trans-140.9124177.6-178.7178.7174.1-171-6.9109.1F2 E3 D63F2-R61 CarbonylContact C-O 3.58Å; F2-R61 WeakPolarHBondContact CA-O 3.44Å; E3-R61 PolarHBondContact N-O 2.82Å; E3-R61 PolarHBondContact O-N 3.42Å; R61-D63 WeakPolarHBondContact CG-OD1 3.34Å; R61-D63 IonicContact CZ-OD1 2.65Å; R61-D63 IonicContact CZ-OD2 2.73Å; R61-D63 IonicContact NE-OD1 3.79Å; R61-D63 PolarHBondContact NE-OD1 2.84Å; R61-D63 IonicContact NE-OD2 2.81Å; R61-D63 PolarHBondContact NE-OD2 2.93Å; R61-D63 IonicContact NH2-OD1 3.83Å; R61-D63 PolarHBondContact NH2-OD1 3.13Å; R61-D63 IonicContact NH2-OD2 3.15Å; R61-D63 PolarHBondContact NH2-OD2 3.1Å
62C97.2Very high96.4Very high19 Ų1961.8 Ų61.813%0.12832%0.316CS..EExtended strand (participates in β ladder)trans-138.494.5174.1-169.90000107.7F2 C30 T31 Y60 R64F2-C62 HydrophobicContact CD2-CB 4.13Å; C30-C62 VanDerWaalsContact C-SG 3.51Å; C30-C62 PolarHBondContact O-SG 2.89Å; C30-C62 VanDerWaalsContact O-SG 3.36Å; T31-C62 WeakPolarHBondContact O-CB 3.29Å; Y60-C62 HydrophobicContact CE1-CB 3.82Å; C62-R64 PolarHBondContact O-N 2.83Å; C62-R64 PolarHBondContact SG-O 3.38Å
63D94.9Very high96.2Very high79 Ų7963.4 Ų63.442%0.42233%0.327SS..SBendtrans-71-23.6-173.4-60.4-30.5000112.9M1 R61M1-D63 WeakPolarHBondContact CB-OD2 3.4Å; M1-D63 PolarHBondContact N-OD2 3.14Å; M1-D63 PolarHBondContact O-N 3Å; R61-D63 WeakPolarHBondContact CG-OD1 3.34Å; R61-D63 IonicContact CZ-OD1 2.65Å; R61-D63 IonicContact CZ-OD2 2.73Å; R61-D63 IonicContact NE-OD1 3.79Å; R61-D63 PolarHBondContact NE-OD1 2.84Å; R61-D63 IonicContact NE-OD2 2.81Å; R61-D63 PolarHBondContact NE-OD2 2.93Å; R61-D63 IonicContact NH2-OD1 3.83Å; R61-D63 PolarHBondContact NH2-OD1 3.13Å; R61-D63 IonicContact NH2-OD2 3.15Å; R61-D63 PolarHBondContact NH2-OD2 3.1Å
64R94.1Very high96.1Very high168 Ų16858.6 Ų58.663%0.63432%0.317SS*.SBendtrans-149148.6-179.5-64.3-175.7179.3-170.90.4108.2C62 L66C62-R64 PolarHBondContact O-N 2.83Å; C62-R64 PolarHBondContact SG-O 3.38Å; R64-L66 PolarHBondContact O-N 3.06Å
65N95Very high96.1Very high126 Ų12656.9 Ų56.967%0.67431%0.305SS*.  trans-58.3130.3172.3-660.3000109.6C30C30-N65 VanDerWaalsContact O-CA 3.31Å; C30-N65 WeakPolarHBondContact O-CA 3.22Å
66L94.4Very high96Very high18 Ų1852 Ų529%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-132.4134.2-179.5-73.5167.6000109.4F2 C30 R64 L68 D94F2-L66 HydrophobicContact CB-CD1 3.59Å; C30-L66 HydrophobicContact CB-CB 4.37Å; C30-L66 PolarHBondContact N-O 2.65Å; C30-L66 PolarHBondContact O-N 2.91Å; R64-L66 PolarHBondContact O-N 3.06Å; L66-L68 HydrophobicContact CB-CD2 4.35Å; L66-D94 WeakPolarHBondContact CD2-O 3.39Å
67S94.6Very high96Very high85 Ų8555.8 Ų55.859%0.59428%0.28SS*.EExtended strand (participates in β ladder)trans-109115173.6-67.60000107.8D29D29-S67 PolarHBondContact OD1-OG 2.85Å
68L96.2Very high96Very high3 Ų356.2 Ų56.22%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-111.198.6-175.1-52176000108.8F2 L28 L66 L70 A92 A96 L99 L118F2-L68 HydrophobicContact CD1-CD1 4.1Å; F2-L68 HydrophobicContact CE1-CD1 4.15Å; L28-L68 HydrophobicContact CB-CB 4.29Å; L28-L68 PolarHBondContact N-O 2.94Å; L28-L68 PolarHBondContact O-N 2.75Å; L66-L68 HydrophobicContact CB-CD2 4.35Å; L68-L70 PolarHBondContact O-N 2.92Å; L68-A92 HydrophobicContact CD1-CB 4.03Å; L68-A92 HydrophobicContact CD2-CB 3.98Å; L68-A96 HydrophobicContact CD2-CB 4.34Å; L68-L99 HydrophobicContact CD1-CD1 4.12Å; L68-L118 HydrophobicContact CB-CD1 4.47Å; L68-L118 HydrophobicContact CB-CD2 3.99Å; L68-L118 HydrophobicContact CD2-CD1 3.71Å
69G96.7Very high95.9Very high4 Ų451 Ų514%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-73.7123178.200000111.7L118 M119G69-L118 WeakPolarHBondContact O-CA 3.25Å; G69-M119 WeakPolarHBondContact CA-O 3.45Å; G69-M119 PolarHBondContact O-N 3.31Å
70L95.8Very high95.8Very high1 Ų156.1 Ų56.11%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-124.7137.7-172.5-62.3-173.8000112.2E25 A26 L28 L68 I72 L99 I116 L118E25-L70 VanDerWaalsContact CA-O 3.29Å; E25-L70 WeakPolarHBondContact CA-O 3.32Å; A26-L70 PolarHBondContact N-O 3.33Å; A26-L70 PolarHBondContact O-N 3.43Å; L28-L70 HydrophobicContact CD1-CD1 3.38Å; L28-L70 HydrophobicContact CD1-CG 4.4Å; L28-L70 HydrophobicContact CG-CD1 3.72Å; L28-L70 HydrophobicContact CG-CG 4.39Å; L68-L70 PolarHBondContact O-N 2.92Å; L70-I72 HydrophobicContact CB-CD1 4.36Å; L70-I72 PolarHBondContact O-N 3.16Å; L70-L99 HydrophobicContact CD1-CD2 3.9Å; L70-L99 HydrophobicContact CD2-CB 4.42Å; L70-L99 HydrophobicContact CD2-CD2 3.91Å; L70-I116 HydrophobicContact CD2-CD1 3.61Å; L70-I116 HydrophobicContact CD2-CG1 4.25Å; L70-L118 HydrophobicContact CD2-CD2 3.34Å
71N95.6Very high95.7Very high41 Ų4156.9 Ų56.922%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-76.6111.8157.7-176.5-88.7000109.6T73 S74 A75 M119N71-T73 VanDerWaalsContact C-N 3.28Å; N71-T73 PolarHBondContact O-N 2.76Å; N71-T73 WeakPolarHBondContact OD1-CB 3.29Å; N71-T73 PolarHBondContact OD1-N 3.16Å; N71-S74 WeakPolarHBondContact O-CB 3.37Å; N71-S74 PolarHBondContact O-N 3.31Å; N71-S74 VanDerWaalsContact O-N 3.1Å; N71-S74 WeakPolarHBondContact OD1-CB 3.36Å; N71-S74 PolarHBondContact OD1-N 3.02Å; N71-S74 PolarHBondContact OD1-OG 2.92Å; N71-A75 PolarHBondContact O-N 3.39Å; N71-M119 HydrophobicContact CB-SD 3.95Å
72I96Very high95.5Very high0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-65.3-33.3-172.7-58.2-56.7000111.7I16 I19 K20 V23 Q24 A26 L37 L70 A75 S76I16-I72 HydrophobicContact CG2-CG2 4.03Å; I19-I72 HydrophobicContact CD1-CD1 4.35Å; I19-I72 HydrophobicContact CD1-CG2 4.46Å; I19-I72 HydrophobicContact CG1-CG2 4.13Å; K20-I72 HydrophobicContact CB-CG2 3.7Å; V23-I72 HydrophobicContact CG2-CG1 4.32Å; Q24-I72 PolarHBondContact O-N 3.11Å; A26-I72 HydrophobicContact CB-CD1 4.09Å; A26-I72 HydrophobicContact CB-CG1 4.34Å; L37-I72 HydrophobicContact CD1-CD1 4.44Å; L70-I72 HydrophobicContact CB-CD1 4.36Å; L70-I72 PolarHBondContact O-N 3.16Å; I72-A75 PolarHBondContact O-N 3.19Å; I72-S76 WeakPolarHBondContact O-CB 3.46Å; I72-S76 PolarHBondContact O-N 2.87Å
73T94.4Very high95.3Very high63 Ų6352.9 Ų52.939%0.38727%0.274SS..Hα-helixtrans-65-41.5174.7-66.10000111.7N71 S76 K77N71-T73 VanDerWaalsContact C-N 3.28Å; N71-T73 PolarHBondContact O-N 2.76Å; N71-T73 WeakPolarHBondContact OD1-CB 3.29Å; N71-T73 PolarHBondContact OD1-N 3.16Å; T73-S76 PolarHBondContact O-N 3.43Å; T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 3Å; T73-K77 VanDerWaalsContact O-N 3.1Å
74S95.5Very high95.1Very high49 Ų4950 Ų5034%0.34326%0.263SS..Hα-helixtrans-66.5-44.3176.2-62.20000111.6N71 S76 K77 I78N71-S74 WeakPolarHBondContact O-CB 3.37Å; N71-S74 PolarHBondContact O-N 3.31Å; N71-S74 VanDerWaalsContact O-N 3.1Å; N71-S74 WeakPolarHBondContact OD1-CB 3.36Å; N71-S74 PolarHBondContact OD1-N 3.02Å; N71-S74 PolarHBondContact OD1-OG 2.92Å; S74-S76 PolarHBondContact O-N 3.43Å; S74-K77 WeakPolarHBondContact O-CB 3.4Å; S74-K77 PolarHBondContact O-N 3.48Å; S74-I78 PolarHBondContact O-N 3.28Å; S74-I78 VanDerWaalsContact O-N 3.13Å
75A96.1Very high95.2Very high1 Ų146.8 Ų46.81%0.00826%0.259CS..Hα-helixtrans-57.9-46.3173.700000111.5N71 I72 K77 I78 L79 I116N71-A75 PolarHBondContact O-N 3.39Å; I72-A75 PolarHBondContact O-N 3.19Å; A75-K77 VanDerWaalsContact C-N 3.31Å; A75-K77 PolarHBondContact O-N 2.89Å; A75-I78 PolarHBondContact O-N 3.49Å; A75-L79 VanDerWaalsContact O-CG 3.27Å; A75-L79 WeakPolarHBondContact O-CG 3.48Å; A75-L79 PolarHBondContact O-N 3.41Å; A75-I116 HydrophobicContact CB-CD1 4.35Å
76S96.2Very high95.2Very high7 Ų741.1 Ų41.15%0.04923%0.229CC..Hα-helixtrans-57.6-40.4175.9-175.60000112.4I72 T73 S74 L79 R80I72-S76 WeakPolarHBondContact O-CB 3.46Å; I72-S76 PolarHBondContact O-N 2.87Å; T73-S76 PolarHBondContact O-N 3.43Å; S74-S76 PolarHBondContact O-N 3.43Å; S76-L79 PolarHBondContact O-N 3.37Å; S76-R80 WeakPolarHBondContact O-CG 3.36Å; S76-R80 PolarHBondContact O-N 2.95Å
77K96.1Very high95.4Very high132 Ų13240.8 Ų40.857%0.57423%0.228SC*.Hα-helixtrans-62.9-45.9176.2-71.9172.6-176173.50112.3T73 S74 A75 L79 R80T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 3Å; T73-K77 VanDerWaalsContact O-N 3.1Å; S74-K77 WeakPolarHBondContact O-CB 3.4Å; S74-K77 PolarHBondContact O-N 3.48Å; A75-K77 VanDerWaalsContact C-N 3.31Å; A75-K77 PolarHBondContact O-N 2.89Å; K77-L79 VanDerWaalsContact C-N 3.31Å; K77-L79 PolarHBondContact O-N 2.97Å; K77-R80 WeakPolarHBondContact O-CB 3.42Å; K77-R80 PolarHBondContact O-N 3.19Å
78I96.3Very high95.6Very high31 Ų3136.9 Ų36.916%0.15920%0.201CC..Hα-helixtrans-62.5-41.1176.8-64.4-52.3000111S74 A75 R80 C81 F101 F103 F114 I116S74-I78 PolarHBondContact O-N 3.28Å; S74-I78 VanDerWaalsContact O-N 3.13Å; A75-I78 PolarHBondContact O-N 3.49Å; I78-R80 PolarHBondContact O-N 3.39Å; I78-C81 WeakPolarHBondContact O-CB 3.26Å; I78-C81 PolarHBondContact O-N 3.18Å; I78-F101 HydrophobicContact CG2-CB 4.04Å; I78-F101 HydrophobicContact CG2-CD1 4.42Å; I78-F101 HydrophobicContact CG2-CD2 3.98Å; I78-F101 HydrophobicContact CG2-CG 3.89Å; I78-F103 HydrophobicContact CG2-CE2 4.06Å; I78-F103 HydrophobicContact CG2-CZ 4.09Å; I78-F114 HydrophobicContact CD1-CB 4.19Å; I78-F114 HydrophobicContact CD1-CD1 4.19Å; I78-F114 HydrophobicContact CD1-CG 4.41Å; I78-F114 HydrophobicContact CG2-CB 3.61Å; I78-F114 HydrophobicContact CG2-CD2 4.34Å; I78-F114 HydrophobicContact CG2-CG 4.02Å; I78-I116 HydrophobicContact CD1-CG2 4.29Å; I78-I116 HydrophobicContact CG1-CG2 3.47Å; I78-I116 VanDerWaalsContact CG1-CG2 3.47Å
79L96.2Very high95.7Very high4 Ų437 Ų372%0.02120%0.201CC..Hα-helixtrans-66-19.9178.8-67.3173.4000114W12 K13 I16 A75 S76 K77 C81 A82 I88 F101 F103W12-L79 VanDerWaalsContact CD1-CD2 3.44Å; W12-L79 HydrophobicContact CG-CD1 4.36Å; K13-L79 HydrophobicContact CG-CB 3.96Å; K13-L79 PolarHBondContact NZ-O 3.33Å; I16-L79 HydrophobicContact CB-CD1 3.88Å; I16-L79 HydrophobicContact CG1-CD1 3.55Å; I16-L79 HydrophobicContact CG2-CD1 4.21Å; A75-L79 VanDerWaalsContact O-CG 3.27Å; A75-L79 WeakPolarHBondContact O-CG 3.48Å; A75-L79 PolarHBondContact O-N 3.41Å; S76-L79 PolarHBondContact O-N 3.37Å; K77-L79 VanDerWaalsContact C-N 3.31Å; K77-L79 PolarHBondContact O-N 2.97Å; L79-C81 PolarHBondContact O-N 3.47Å; L79-A82 PolarHBondContact O-N 3.41Å; L79-I88 HydrophobicContact CD2-CD1 3.65Å; L79-F101 HydrophobicContact CD2-CD1 4.13Å; L79-F101 HydrophobicContact CD2-CE1 4.21Å; L79-F103 HydrophobicContact CD2-CE1 4.04Å; L79-F103 HydrophobicContact CD2-CZ 3.98Å
80R95.6Very high95.7Very high174 Ų17437 Ų3766%0.65720%0.2SC*.THydrogen-bonded Turntrans-69.9-18.2171-69.9172.8-175.9-156.4-0.2113.1S76 K77 I78 A82S76-R80 WeakPolarHBondContact O-CG 3.36Å; S76-R80 PolarHBondContact O-N 2.95Å; K77-R80 WeakPolarHBondContact O-CB 3.42Å; K77-R80 PolarHBondContact O-N 3.19Å; I78-R80 PolarHBondContact O-N 3.39Å; R80-A82 VanDerWaalsContact C-N 3.29Å; R80-A82 PolarHBondContact O-N 3.22Å
81C94.4Very high95.8Very high63 Ų6340.3 Ų40.343%0.42622%0.215SC..THydrogen-bonded Turntrans-73.9-19.1176.9-59.10000113.2I78 L79 F103 F114I78-C81 WeakPolarHBondContact O-CB 3.26Å; I78-C81 PolarHBondContact O-N 3.18Å; L79-C81 PolarHBondContact O-N 3.47Å; C81-F103 HydrophobicContact CB-CE2 4.4Å; C81-F114 HydrophobicContact CB-CD2 4.47Å; C81-F114 HydrophobicContact CB-CE1 4.3Å; C81-F114 HydrophobicContact CB-CE2 3.67Å; C81-F114 HydrophobicContact CB-CZ 3.57Å
82A94Very high95.9Very high6 Ų638.7 Ų38.75%0.0521%0.207CC..SBendtrans-91.9142.6178.100000112.5A9 K13 L79 R80 F103A9-A82 HydrophobicContact CB-CB 3.99Å; K13-A82 PolarHBondContact NZ-O 2.9Å; L79-A82 PolarHBondContact O-N 3.41Å; R80-A82 VanDerWaalsContact C-N 3.29Å; R80-A82 PolarHBondContact O-N 3.22Å; A82-F103 HydrophobicContact CB-CB 4.27Å; A82-F103 HydrophobicContact CB-CD1 3.49Å; A82-F103 VanDerWaalsContact CB-CD1 3.49Å; A82-F103 HydrophobicContact CB-CD2 3.91Å; A82-F103 HydrophobicContact CB-CE1 3.65Å; A82-F103 HydrophobicContact CB-CE2 4.07Å; A82-F103 HydrophobicContact CB-CG 3.63Å; A82-F103 HydrophobicContact CB-CZ 3.95Å
83S93.8Very high95.9Very high55 Ų5540.5 Ų40.539%0.38523%0.226SC..  trans-66.5150.9160.3-174.20000109.5N85 D86S83-N85 PolarHBondContact O-N 3.45Å; S83-D86 WeakPolarHBondContact CB-OD1 3.21Å; S83-D86 WeakPolarHBondContact CB-OD2 3.43Å; S83-D86 PolarHBondContact N-OD2 3.45Å; S83-D86 WeakPolarHBondContact O-CB 3.43Å; S83-D86 PolarHBondContact O-N 3.32Å; S83-D86 VanDerWaalsContact O-N 3.11Å
84G91.1Very high95.6Very high19 Ų1941 Ų4120%0.19623%0.226CC..THydrogen-bonded Turntrans-60.3-27.417600000113.4D10D10-G84 WeakPolarHBondContact CB-O 3.29Å; D10-G84 PolarHBondContact N-O 3.45Å; D10-G84 VanDerWaalsContact N-O 3.16Å
85N94.5Very high95.2Very high101 Ų10148.2 Ų48.254%0.5425%0.251SS..THydrogen-bonded Turntrans-90.4-0.9179.5-65.8-30.9000114.2S83S83-N85 PolarHBondContact O-N 3.45Å
86D96.9Very high94.8Very high7 Ų749.4 Ų49.44%0.03726%0.261CS..SBendtrans-73.4145.9174.6-66.2-13.2000108.9Q8 A9 S83 E104 S105 R110Q8-D86 CarbonylContact C-O 3.58Å; Q8-D86 WeakPolarHBondContact CA-O 3.36Å; A9-D86 WeakPolarHBondContact CB-O 3.27Å; A9-D86 PolarHBondContact N-O 3.2Å; S83-D86 WeakPolarHBondContact CB-OD1 3.21Å; S83-D86 WeakPolarHBondContact CB-OD2 3.43Å; S83-D86 PolarHBondContact N-OD2 3.45Å; S83-D86 WeakPolarHBondContact O-CB 3.43Å; S83-D86 PolarHBondContact O-N 3.32Å; S83-D86 VanDerWaalsContact O-N 3.11Å; D86-E104 CarbonylContact C-O 3.5Å; D86-E104 VanDerWaalsContact CA-O 3.25Å; D86-E104 WeakPolarHBondContact CA-O 3.45Å; D86-E104 WeakPolarHBondContact CB-O 3.41Å; D86-S105 WeakPolarHBondContact OD1-CA 2.92Å; D86-R110 IonicContact OD1-NH2 3.39Å; D86-R110 IonicContact OD2-CZ 3.45Å; D86-R110 IonicContact OD2-NH2 3.26Å; D86-R110 PolarHBondContact OD2-NH2 3.21Å
87A97.7Very high94.7Very high11 Ų1155.5 Ų55.59%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-69149.3164.400000109.3R5 L6 F103 E104R5-A87 VanDerWaalsContact NH2-CB 3.31Å; L6-A87 WeakPolarHBondContact O-CA 3.44Å; A87-F103 VanDerWaalsContact O-CA 3.27Å; A87-F103 WeakPolarHBondContact O-CA 3.2Å; A87-E104 HydrophobicContact CB-CB 4.37Å; A87-E104 PolarHBondContact N-O 3.48Å; A87-E104 PolarHBondContact O-N 2.99Å
88I98.1Very high94.7Very high2 Ų251.4 Ų51.41%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-124.9130.8174.7-178.3179.7000109.2R5 L6 A9 W12 L79 L90 F101 V102 F103R5-I88 CarbonylContact C-O 3.53Å; R5-I88 VanDerWaalsContact CA-O 3.3Å; R5-I88 WeakPolarHBondContact CA-O 3.36Å; L6-I88 HydrophobicContact CB-CG2 3.71Å; L6-I88 HydrophobicContact CD1-CG2 4.31Å; L6-I88 HydrophobicContact CG-CG2 4.48Å; L6-I88 PolarHBondContact N-O 3.18Å; L6-I88 PolarHBondContact O-N 3.38Å; A9-I88 HydrophobicContact CB-CB 4.02Å; A9-I88 HydrophobicContact CB-CG2 4.17Å; W12-I88 HydrophobicContact CB-CD1 4.21Å; W12-I88 HydrophobicContact CG-CD1 4.11Å; L79-I88 HydrophobicContact CD2-CD1 3.65Å; I88-L90 HydrophobicContact CD1-CD2 3.98Å; I88-L90 HydrophobicContact CG1-CD2 4.22Å; I88-F101 HydrophobicContact CD1-CD1 4.12Å; I88-V102 CarbonylContact C-O 3.54Å; I88-V102 WeakPolarHBondContact CA-O 3.24Å; I88-F103 HydrophobicContact CB-CD1 4.02Å; I88-F103 HydrophobicContact CB-CE1 4.13Å; I88-F103 HydrophobicContact CD1-CD1 4.42Å; I88-F103 HydrophobicContact CD1-CE1 3.67Å; I88-F103 HydrophobicContact CG1-CD1 3.9Å; I88-F103 HydrophobicContact CG1-CE1 3.6Å
89T98.3Very high94.8Very high5 Ų549.9 Ų49.93%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-118.6124.9168.7-52.20000109.5E3 A4 R5 K91 V102E3-T89 HydrophobicContact CG-CG2 3.7Å; A4-T89 CarbonylContact O-C 3.56Å; A4-T89 WeakPolarHBondContact O-CA 3.48Å; R5-T89 HydrophobicContact CB-CG2 4.43Å; R5-T89 PolarHBondContact NH1-OG1 2.75Å; T89-K91 HydrophobicContact CG2-CD 4.44Å; T89-K91 HydrophobicContact CG2-CG 3.94Å; T89-V102 PolarHBondContact N-O 3.13Å; T89-V102 PolarHBondContact O-N 2.87Å
90L97.9Very high94.9Very high4 Ų450.5 Ų50.52%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-92.8131.4170.8-57-178.1000108.9F2 E3 A4 W12 I35 I88 L99 T100 F101F2-L90 HydrophobicContact CE1-CB 3.96Å; F2-L90 HydrophobicContact CZ-CB 4.47Å; E3-L90 VanDerWaalsContact CA-O 3.28Å; E3-L90 WeakPolarHBondContact CA-O 3.36Å; A4-L90 PolarHBondContact N-O 2.87Å; A4-L90 PolarHBondContact O-N 3.26Å; W12-L90 HydrophobicContact CH2-CD1 4.3Å; W12-L90 HydrophobicContact CZ2-CD1 3.89Å; I35-L90 HydrophobicContact CD1-CD1 4.04Å; I88-L90 HydrophobicContact CD1-CD2 3.98Å; I88-L90 HydrophobicContact CG1-CD2 4.22Å; L90-L99 HydrophobicContact CB-CD1 4.22Å; L90-T100 CarbonylContact C-O 3.53Å; L90-T100 WeakPolarHBondContact CA-O 3.46Å; L90-F101 HydrophobicContact CD2-CD1 3.37Å; L90-F101 HydrophobicContact CD2-CE1 3.38Å; L90-F101 HydrophobicContact CD2-CG 4.19Å; L90-F101 HydrophobicContact CD2-CZ 4.2Å
91K97.9Very high95Very high72 Ų7242.2 Ų42.231%0.31324%0.244SC..EExtended strand (participates in β ladder)trans-133.3136.3178.3-57.5-178.1179.3-177.80111.9F2 E3 T89 L99 T100 V102F2-K91 WeakPolarHBondContact O-CA 3.42Å; E3-K91 HydrophobicContact CG-CG 4.22Å; E3-K91 WeakPolarHBondContact OE1-CE 3Å; E3-K91 IonicContact OE1-NZ 3.89Å; T89-K91 HydrophobicContact CG2-CD 4.44Å; T89-K91 HydrophobicContact CG2-CG 3.94Å; K91-L99 WeakPolarHBondContact O-CD1 3.47Å; K91-T100 PolarHBondContact N-O 2.87Å; K91-T100 PolarHBondContact O-N 2.7Å; K91-V102 HydrophobicContact CD-CG2 4.43Å
92A97.8Very high95.2Very high7 Ų739.8 Ų39.86%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-145.5144.7172.800000111.1F2 L68 A96 L99F2-A92 HydrophobicContact CB-CB 4.35Å; F2-A92 HydrophobicContact CD1-CB 4.05Å; F2-A92 PolarHBondContact N-O 2.83Å; F2-A92 PolarHBondContact O-N 3.38Å; L68-A92 HydrophobicContact CD1-CB 4.03Å; L68-A92 HydrophobicContact CD2-CB 3.98Å; A92-A96 HydrophobicContact CB-CB 3.87Å; A92-L99 HydrophobicContact CB-CD1 4.38Å
93G95.1Very high95.4Very high38 Ų3839.7 Ų39.739%0.39223%0.226SC..  trans-75.1174169.800000112.5K95G93-K95 PolarHBondContact O-N 3.47Å
94D87.9Confident95.5Very high72 Ų7240.1 Ų40.139%0.38522%0.222SC..THydrogen-bonded Turntrans-69.5-21.3179.2-69.1-17.4000113.8M1 L66M1-D94 WeakPolarHBondContact CA-OD1 3.43Å; M1-D94 PolarHBondContact N-OD1 2.89Å; L66-D94 WeakPolarHBondContact CD2-O 3.39Å
95K87Confident95.8Very high202 Ų20239.7 Ų39.788%0.87822%0.216SC*.THydrogen-bonded Turntrans-132.365.9174.3-67.1-176.1177.7-174.20107.3G93G93-K95 PolarHBondContact O-N 3.47Å
96A87.9Confident95.6Very high25 Ų2543.8 Ų43.821%0.20723%0.229CC..  trans-77.2128.5-171.900000110.8L68 A92 L118L68-A96 HydrophobicContact CD2-CB 4.34Å; A92-A96 HydrophobicContact CB-CB 3.87Å; A96-L118 HydrophobicContact CB-CD1 3.59Å; A96-L118 WeakPolarHBondContact O-CD1 3.49Å
97D94.3Very high95.4Very high135 Ų13547.5 Ų47.572%0.72226%0.255SS*.SBendtrans-93.1-11.3163.7-61.8-35.5000111.2L118D97-L118 PolarHBondContact O-N 2.75Å
98T96.8Very high95Very high46 Ų4655 Ų5528%0.28229%0.289SS..EExtended strand (participates in β ladder)trans-139.7150.6-177.759.20000112.1I116T98-I116 CarbonylContact C-O 3.48Å; T98-I116 WeakPolarHBondContact CA-O 3.32Å; T98-I116 WeakPolarHBondContact CB-O 3.26Å
99L97.7Very high94.8Very high0 Ų061 Ų610%032%0.32CS..EExtended strand (participates in β ladder)trans-108.7123.9165.6174.161.1000108.8L28 L68 L70 L90 K91 A92 F101 I116 L118L28-L99 HydrophobicContact CD1-CD2 4.49Å; L68-L99 HydrophobicContact CD1-CD1 4.12Å; L70-L99 HydrophobicContact CD1-CD2 3.9Å; L70-L99 HydrophobicContact CD2-CB 4.42Å; L70-L99 HydrophobicContact CD2-CD2 3.91Å; L90-L99 HydrophobicContact CB-CD1 4.22Å; K91-L99 WeakPolarHBondContact O-CD1 3.47Å; A92-L99 HydrophobicContact CB-CD1 4.38Å; L99-F101 HydrophobicContact CB-CE2 4.33Å; L99-F101 HydrophobicContact CD2-CE1 4.47Å; L99-F101 HydrophobicContact CD2-CE2 3.86Å; L99-F101 HydrophobicContact CD2-CZ 3.62Å; L99-F101 HydrophobicContact CG-CD2 4.43Å; L99-F101 HydrophobicContact CG-CE2 3.76Å; L99-F101 HydrophobicContact CG-CZ 4.01Å; L99-I116 HydrophobicContact CB-CG1 4.09Å; L99-I116 PolarHBondContact N-O 3.39Å; L99-I116 PolarHBondContact O-N 3.31Å; L99-L118 HydrophobicContact CB-CD2 3.81Å; L99-L118 HydrophobicContact CB-CG 4.46Å
100T97.9Very high94.6Very high16 Ų1666.1 Ų66.110%0.09834%0.339CS..EExtended strand (participates in β ladder)trans-94.9131.8179.1-52.60000110.4L90 K91 V102 E113 F114 E115L90-T100 CarbonylContact C-O 3.53Å; L90-T100 WeakPolarHBondContact CA-O 3.46Å; K91-T100 PolarHBondContact N-O 2.87Å; K91-T100 PolarHBondContact O-N 2.7Å; T100-V102 HydrophobicContact CG2-CG2 4.15Å; T100-E113 HydrophobicContact CG2-CG 3.56Å; T100-E113 VanDerWaalsContact CG2-OE1 3.31Å; T100-E113 WeakPolarHBondContact CG2-OE1 3.36Å; T100-F114 CarbonylContact C-O 3.57Å; T100-F114 WeakPolarHBondContact CA-O 3.48Å; T100-E115 HydrophobicContact CG2-CG 4.25Å
101F98Very high94.5Very high0 Ų069.8 Ų69.80%037%0.365CS..EExtended strand (participates in β ladder)trans-109.5116.4172.9-61.9-102000108.5W12 I78 L79 I88 L90 L99 F103 E113 F114 I116W12-F101 AromaticContact NE1-CE1 3.96Å; I78-F101 HydrophobicContact CG2-CB 4.04Å; I78-F101 HydrophobicContact CG2-CD1 4.42Å; I78-F101 HydrophobicContact CG2-CD2 3.98Å; I78-F101 HydrophobicContact CG2-CG 3.89Å; L79-F101 HydrophobicContact CD2-CD1 4.13Å; L79-F101 HydrophobicContact CD2-CE1 4.21Å; I88-F101 HydrophobicContact CD1-CD1 4.12Å; L90-F101 HydrophobicContact CD2-CD1 3.37Å; L90-F101 HydrophobicContact CD2-CE1 3.38Å; L90-F101 HydrophobicContact CD2-CG 4.19Å; L90-F101 HydrophobicContact CD2-CZ 4.2Å; L99-F101 HydrophobicContact CB-CE2 4.33Å; L99-F101 HydrophobicContact CD2-CE1 4.47Å; L99-F101 HydrophobicContact CD2-CE2 3.86Å; L99-F101 HydrophobicContact CD2-CZ 3.62Å; L99-F101 HydrophobicContact CG-CD2 4.43Å; L99-F101 HydrophobicContact CG-CE2 3.76Å; L99-F101 HydrophobicContact CG-CZ 4.01Å; F101-F103 HydrophobicContact CB-CE1 4.35Å; F101-F103 HydrophobicContact CB-CE2 4.24Å; F101-F103 HydrophobicContact CB-CZ 3.88Å; F101-F103 HydrophobicContact CD1-CZ 4.37Å; F101-F103 HydrophobicContact CG-CZ 4.47Å; F101-E113 WeakPolarHBondContact O-CA 3.32Å; F101-F114 HydrophobicContact CB-CB 4.47Å; F101-F114 PolarHBondContact N-O 2.94Å; F101-F114 PolarHBondContact O-N 2.82Å; F101-I116 HydrophobicContact CE2-CD1 3.43Å; F101-I116 VanDerWaalsContact CE2-CD1 3.43Å; F101-I116 HydrophobicContact CE2-CG1 3.77Å; F101-I116 HydrophobicContact CE2-CG2 4.26Å; F101-I116 HydrophobicContact CZ-CD1 3.78Å
102V98Very high94.5Very high13 Ų1368.1 Ų68.18%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-105.9123.5172.5-173.90000108.3I88 T89 K91 T100 E104 S112 E113I88-V102 CarbonylContact C-O 3.54Å; I88-V102 WeakPolarHBondContact CA-O 3.24Å; T89-V102 PolarHBondContact N-O 3.13Å; T89-V102 PolarHBondContact O-N 2.87Å; K91-V102 HydrophobicContact CD-CG2 4.43Å; T100-V102 HydrophobicContact CG2-CG2 4.15Å; V102-E104 HydrophobicContact CG1-CG 4.33Å; V102-S112 CarbonylContact C-O 3.56Å; V102-S112 WeakPolarHBondContact CA-O 3.31Å; V102-E113 HydrophobicContact CG2-CG 4.28Å
103F97.8Very high94.4Very high3 Ų373.9 Ų73.91%0.01339%0.388CS..EExtended strand (participates in β ladder)trans-110.9130.7175.4-54.3-58.1000110.5I78 L79 C81 A82 A87 I88 F101 S111 S112 F114I78-F103 HydrophobicContact CG2-CE2 4.06Å; I78-F103 HydrophobicContact CG2-CZ 4.09Å; L79-F103 HydrophobicContact CD2-CE1 4.04Å; L79-F103 HydrophobicContact CD2-CZ 3.98Å; C81-F103 HydrophobicContact CB-CE2 4.4Å; A82-F103 HydrophobicContact CB-CB 4.27Å; A82-F103 HydrophobicContact CB-CD1 3.49Å; A82-F103 VanDerWaalsContact CB-CD1 3.49Å; A82-F103 HydrophobicContact CB-CD2 3.91Å; A82-F103 HydrophobicContact CB-CE1 3.65Å; A82-F103 HydrophobicContact CB-CE2 4.07Å; A82-F103 HydrophobicContact CB-CG 3.63Å; A82-F103 HydrophobicContact CB-CZ 3.95Å; A87-F103 VanDerWaalsContact O-CA 3.27Å; A87-F103 WeakPolarHBondContact O-CA 3.2Å; I88-F103 HydrophobicContact CB-CD1 4.02Å; I88-F103 HydrophobicContact CB-CE1 4.13Å; I88-F103 HydrophobicContact CD1-CD1 4.42Å; I88-F103 HydrophobicContact CD1-CE1 3.67Å; I88-F103 HydrophobicContact CG1-CD1 3.9Å; I88-F103 HydrophobicContact CG1-CE1 3.6Å; F101-F103 HydrophobicContact CB-CE1 4.35Å; F101-F103 HydrophobicContact CB-CE2 4.24Å; F101-F103 HydrophobicContact CB-CZ 3.88Å; F101-F103 HydrophobicContact CD1-CZ 4.37Å; F101-F103 HydrophobicContact CG-CZ 4.47Å; F103-S111 CarbonylContact O-C 3.58Å; F103-S111 VanDerWaalsContact O-CA 3.29Å; F103-S111 WeakPolarHBondContact O-CA 3.41Å; F103-S112 PolarHBondContact N-O 2.86Å; F103-S112 PolarHBondContact O-N 3.1Å; F103-F114 AromaticContact CD2-CD2 3.71Å; F103-F114 HydrophobicContact CD2-CD2 3.71Å; F103-F114 AromaticContact CD2-CE2 3.77Å; F103-F114 HydrophobicContact CD2-CE2 3.77Å; F103-F114 AromaticContact CE2-CD2 3.55Å; F103-F114 HydrophobicContact CE2-CD2 3.55Å; F103-F114 AromaticContact CE2-CE2 3.88Å; F103-F114 HydrophobicContact CE2-CE2 3.88Å
104E97.9Very high94.6Very high64 Ų6475 Ų7530%0.29938%0.382SS..EExtended strand (participates in β ladder)trans-125.8127.3179.9-67.8176.5118.300110.4R5 D86 A87 V102R5-E104 IonicContact CZ-OE2 2.76Å; R5-E104 IonicContact NH1-OE2 2.66Å; R5-E104 PolarHBondContact NH1-OE2 3.2Å; R5-E104 IonicContact NH2-OE2 2.7Å; R5-E104 PolarHBondContact NH2-OE2 3.19Å; D86-E104 CarbonylContact C-O 3.5Å; D86-E104 VanDerWaalsContact CA-O 3.25Å; D86-E104 WeakPolarHBondContact CA-O 3.45Å; D86-E104 WeakPolarHBondContact CB-O 3.41Å; A87-E104 HydrophobicContact CB-CB 4.37Å; A87-E104 PolarHBondContact N-O 3.48Å; A87-E104 PolarHBondContact O-N 2.99Å; V102-E104 HydrophobicContact CG1-CG 4.33Å
105S95.9Very high95Very high10 Ų1077.1 Ų77.17%0.0739%0.39CS..  trans-64.2151.9177.365.60000111.1D86 S107 Q108 D109 R110D86-S105 WeakPolarHBondContact OD1-CA 2.92Å; S105-S107 PolarHBondContact O-N 3.27Å; S105-S107 PolarHBondContact OG-OG 2.66Å; S105-Q108 WeakPolarHBondContact O-CA 3.42Å; S105-Q108 PolarHBondContact O-N 3.2Å; S105-Q108 PolarHBondContact OG-N 3.28Å; S105-D109 PolarHBondContact OG-N 3.35Å; S105-D109 PolarHBondContact OG-OD1 3.32Å; S105-R110 PolarHBondContact N-O 3.5Å; S105-R110 PolarHBondContact OG-N 3.39Å; S105-R110 VanDerWaalsContact OG-N 3.15Å; S105-R110 PolarHBondContact OG-O 2.92Å
106K91.7Very high95.4Very high187 Ų18768.2 Ų68.281%0.81335%0.352SS*.THydrogen-bonded Turntrans-57.2-30.8174.4-170.3175.2-177.4177.10112.9Q108K106-Q108 VanDerWaalsContact C-N 3.32Å
107S91.8Very high95.8Very high85 Ų8575.6 Ų75.659%0.59438%0.379SS*.THydrogen-bonded Turntrans-80.4-8174.934.70000114.1S105 D109S105-S107 PolarHBondContact O-N 3.27Å; S105-S107 PolarHBondContact OG-OG 2.66Å; S107-D109 WeakPolarHBondContact CB-OD1 3.48Å; S107-D109 PolarHBondContact O-N 2.68Å; S107-D109 VanDerWaalsContact O-N 3.11Å; S107-D109 PolarHBondContact OG-OD1 2.74Å
108Q89.2Confident96Very high170 Ų17070.6 Ų70.679%0.79435%0.352SS*.SBendtrans57.614.8-175.8-57-175.9-1.900115.2S105 K106S105-Q108 WeakPolarHBondContact O-CA 3.42Å; S105-Q108 PolarHBondContact O-N 3.2Å; S105-Q108 PolarHBondContact OG-N 3.28Å; K106-Q108 VanDerWaalsContact C-N 3.32Å
109D93.4Very high95.8Very high127 Ų12771.9 Ų71.968%0.67936%0.356SS*.SBendtrans-85.3-13.9177.165.3-29.9000113.2S105 S107S105-D109 PolarHBondContact OG-N 3.35Å; S105-D109 PolarHBondContact OG-OD1 3.32Å; S107-D109 WeakPolarHBondContact CB-OD1 3.48Å; S107-D109 PolarHBondContact O-N 2.68Å; S107-D109 VanDerWaalsContact O-N 3.11Å; S107-D109 PolarHBondContact OG-OD1 2.74Å
110R94.2Very high95.5Very high113 Ų11380.2 Ų80.243%0.42640%0.401SS..  trans-132.2125.2178.5-175.6-177.172.2-171.83.2110.2D86 S105D86-R110 IonicContact OD1-NH2 3.39Å; D86-R110 IonicContact OD2-CZ 3.45Å; D86-R110 IonicContact OD2-NH2 3.26Å; D86-R110 PolarHBondContact OD2-NH2 3.21Å; S105-R110 PolarHBondContact N-O 3.5Å; S105-R110 PolarHBondContact OG-N 3.39Å; S105-R110 VanDerWaalsContact OG-N 3.15Å; S105-R110 PolarHBondContact OG-O 2.92Å
111S96.1Very high95.2Very high81 Ų8181.5 Ų81.557%0.56641%0.407SS*.EExtended strand (participates in β ladder)trans-124.4135.5166.4-177.10000109F103F103-S111 CarbonylContact O-C 3.58Å; F103-S111 VanDerWaalsContact O-CA 3.29Å; F103-S111 WeakPolarHBondContact O-CA 3.41Å
112S97.1Very high94.4Very high36 Ų3689.9 Ų89.925%0.25245%0.452SS..EExtended strand (participates in β ladder)trans-131.6136.4178.8-590000109.5V102 F103V102-S112 CarbonylContact C-O 3.56Å; V102-S112 WeakPolarHBondContact CA-O 3.31Å; F103-S112 PolarHBondContact N-O 2.86Å; F103-S112 PolarHBondContact O-N 3.1Å
113E97.7Very high93.2Very high129 Ų12991.7 Ų91.760%0.60346%0.462SS*.EExtended strand (participates in β ladder)trans-121131.2179.6-173.6169.9167.500109.8T100 F101 V102T100-E113 HydrophobicContact CG2-CG 3.56Å; T100-E113 VanDerWaalsContact CG2-OE1 3.31Å; T100-E113 WeakPolarHBondContact CG2-OE1 3.36Å; F101-E113 WeakPolarHBondContact O-CA 3.32Å; V102-E113 HydrophobicContact CG2-CG 4.28Å
114F97.8Very high92.1Very high61 Ų6198.6 Ų98.627%0.26850%0.499SS..EExtended strand (participates in β ladder)trans-132.5142.2178.7-62.8-87.6000109.7I78 C81 T100 F101 F103I78-F114 HydrophobicContact CD1-CB 4.19Å; I78-F114 HydrophobicContact CD1-CD1 4.19Å; I78-F114 HydrophobicContact CD1-CG 4.41Å; I78-F114 HydrophobicContact CG2-CB 3.61Å; I78-F114 HydrophobicContact CG2-CD2 4.34Å; I78-F114 HydrophobicContact CG2-CG 4.02Å; C81-F114 HydrophobicContact CB-CD2 4.47Å; C81-F114 HydrophobicContact CB-CE1 4.3Å; C81-F114 HydrophobicContact CB-CE2 3.67Å; C81-F114 HydrophobicContact CB-CZ 3.57Å; T100-F114 CarbonylContact C-O 3.57Å; T100-F114 WeakPolarHBondContact CA-O 3.48Å; F101-F114 HydrophobicContact CB-CB 4.47Å; F101-F114 PolarHBondContact N-O 2.94Å; F101-F114 PolarHBondContact O-N 2.82Å; F103-F114 AromaticContact CD2-CD2 3.71Å; F103-F114 HydrophobicContact CD2-CD2 3.71Å; F103-F114 AromaticContact CD2-CE2 3.77Å; F103-F114 HydrophobicContact CD2-CE2 3.77Å; F103-F114 AromaticContact CE2-CD2 3.55Å; F103-F114 HydrophobicContact CE2-CD2 3.55Å; F103-F114 AromaticContact CE2-CE2 3.88Å; F103-F114 HydrophobicContact CE2-CE2 3.88Å
115E96.3Very high91.3Very high116 Ų116100.7 Ų100.754%0.54251%0.509SS..EExtended strand (participates in β ladder)trans-119.5139.3175.8-64.2-173.2167.400110.2T100T100-E115 HydrophobicContact CG2-CG 4.25Å
116I96.3Very high90.9Very high16 Ų16103.8 Ų103.88%0.08252%0.524CS..EExtended strand (participates in β ladder)trans-117.8143.6167.268.5-173.6000109.5L70 A75 I78 T98 L99 F101L70-I116 HydrophobicContact CD2-CD1 3.61Å; L70-I116 HydrophobicContact CD2-CG1 4.25Å; A75-I116 HydrophobicContact CB-CD1 4.35Å; I78-I116 HydrophobicContact CD1-CG2 4.29Å; I78-I116 HydrophobicContact CG1-CG2 3.47Å; I78-I116 VanDerWaalsContact CG1-CG2 3.47Å; T98-I116 CarbonylContact C-O 3.48Å; T98-I116 WeakPolarHBondContact CA-O 3.32Å; T98-I116 WeakPolarHBondContact CB-O 3.26Å; L99-I116 HydrophobicContact CB-CG1 4.09Å; L99-I116 PolarHBondContact N-O 3.39Å; L99-I116 PolarHBondContact O-N 3.31Å; F101-I116 HydrophobicContact CE2-CD1 3.43Å; F101-I116 VanDerWaalsContact CE2-CD1 3.43Å; F101-I116 HydrophobicContact CE2-CG1 3.77Å; F101-I116 HydrophobicContact CE2-CG2 4.26Å; F101-I116 HydrophobicContact CZ-CD1 3.78Å
117K96.6Very high90.8Very high179 Ų17998.7 Ų98.778%0.77853%0.525SS*.EExtended strand (participates in β ladder)trans-68.6135.6171.3-67.1-176.4176.9-175.30109.6
118L96.9Very high90.7Very high30 Ų3099.3 Ų99.316%0.15752%0.52CS..  trans-79.8161.6170.6-63.8176000110L68 G69 L70 A96 D97 L99L68-L118 HydrophobicContact CB-CD1 4.47Å; L68-L118 HydrophobicContact CB-CD2 3.99Å; L68-L118 HydrophobicContact CD2-CD1 3.71Å; G69-L118 WeakPolarHBondContact O-CA 3.25Å; L70-L118 HydrophobicContact CD2-CD2 3.34Å; A96-L118 HydrophobicContact CB-CD1 3.59Å; A96-L118 WeakPolarHBondContact O-CD1 3.49Å; D97-L118 PolarHBondContact O-N 2.75Å; L99-L118 HydrophobicContact CB-CD2 3.81Å; L99-L118 HydrophobicContact CB-CG 4.46Å
119M94.2Very high90.7Very high74 Ų7495.7 Ų95.737%0.36551%0.512SS..BIsolated β-bridgetrans-125.1142.4178.8-53.1-178.86600108.6E25 G69 N71 L121E25-M119 HydrophobicContact CG-SD 4.43Å; E25-M119 WeakPolarHBondContact OE1-CE 3.48Å; G69-M119 WeakPolarHBondContact CA-O 3.45Å; G69-M119 PolarHBondContact O-N 3.31Å; N71-M119 HydrophobicContact CB-SD 3.95Å; M119-L121 HydrophobicContact CB-CD2 4.15Å; M119-L121 HydrophobicContact CB-CG 4.28Å; M119-L121 PolarHBondContact O-N 2.86Å
120D91.4Very high90.6Very high175 Ų17598.1 Ų98.194%0.93653%0.525SS*.  trans-78.6111.1168-64.8-37.8000107.7
121L90.5Very high90.5Very high42 Ų4294.7 Ų94.722%0.2252%0.517CS..  trans-113.2125.1178.7-60.4179.5000108.9E25 M119 V123E25-L121 HydrophobicContact CB-CD1 4.07Å; E25-L121 HydrophobicContact CB-CD2 4.18Å; E25-L121 WeakPolarHBondContact OE2-CD2 3.28Å; M119-L121 HydrophobicContact CB-CD2 4.15Å; M119-L121 HydrophobicContact CB-CG 4.28Å; M119-L121 PolarHBondContact O-N 2.86Å; L121-V123 HydrophobicContact CB-CG2 3.83Å; L121-V123 PolarHBondContact O-N 2.87Å
122D81.4Confident90.4Very high177 Ų17796 Ų9695%0.94752%0.517SS*.  trans-75.9101.8167.5-71.1-33.3000107.9
123V72.9Confident90.3Very high50 Ų5096 Ų9630%0.30351%0.512SS..  trans-111.4120-178-177.20000110.4T27 L121T27-V123 WeakPolarHBondContact OG1-CG2 2.96Å; L121-V123 HydrophobicContact CB-CG2 3.83Å; L121-V123 PolarHBondContact O-N 2.87Å
124D75.9Confident90.3Very high148 Ų14892.6 Ų92.679%0.79150%0.495SS*.  trans-91110.6167.8-71.9-38.5000109.6L126D124-L126 PolarHBondContact O-N 2.77Å
125H81Confident90.3Very high108 Ų10889.7 Ų89.750%0.548%0.482SS..PPolyproline II helixtrans-71.1118.6170.4-66.475.9000110.1D29D29-H125 IonicContact OD2-CD2 2.84Å; D29-H125 IonicContact OD2-CE1 2.6Å; D29-H125 PolarHBondContact OD2-CE1 2.82Å; D29-H125 IonicContact OD2-NE2 2.72Å; D29-H125 PolarHBondContact OD2-NE2 2.73Å
126L87.7Confident90.4Very high75 Ų7586.4 Ų86.439%0.39347%0.468SS..PPolyproline II helixtrans-83.9125.5173.6-63.1175.4000109.8Q38 M40 L47 D124 I128Q38-L126 PolarHBondContact NE2-O 2.76Å; Q38-L126 PolarHBondContact OE1-O 2.85Å; M40-L126 HydrophobicContact CE-CD1 3.8Å; M40-L126 HydrophobicContact CG-CD1 4.12Å; M40-L126 HydrophobicContact SD-CD1 3.6Å; L47-L126 HydrophobicContact CD1-CB 4.19Å; L47-L126 HydrophobicContact CD1-CD1 3.66Å; L47-L126 HydrophobicContact CD1-CG 4.49Å; D124-L126 PolarHBondContact O-N 2.77Å; L126-I128 PolarHBondContact O-N 2.78Å
127G88.5Confident90.5Very high80 Ų8085.7 Ų85.783%0.82546%0.464SS*.PPolyproline II helixtrans-67.8117.9169.600000110.3P129G127-P129 WeakPolarHBondContact O-CD 3.29Å
128I89.3Confident90.5Very high98 Ų9882 Ų8250%0.50345%0.446SS..  trans-87.2115.7174.6-58.1174.2000107.4L47 L126L47-I128 HydrophobicContact CD2-CD1 3.98Å; L126-I128 PolarHBondContact O-N 2.78Å
129P90.6Very high90.6Very high94 Ų9480.6 Ų80.661%0.6144%0.438SS*.  trans-75.3147-177.530.5-34.5000111.9G127 T131G127-P129 WeakPolarHBondContact O-CD 3.29Å; P129-T131 PolarHBondContact O-N 2.97Å; P129-T131 VanDerWaalsContact O-N 3.13Å; P129-T131 PolarHBondContact O-OG1 3.21Å; P129-T131 VanDerWaalsContact O-OG1 3.14Å
130D90.2Very high90.8Very high178 Ų17878.1 Ų78.195%0.95243%0.428SS*.  trans-61.3115.6166.7-67.7-36.7000109.1
131T92.5Very high91.1Very high42 Ų4270.1 Ų70.126%0.25839%0.386SS..  trans-116.6127.9-174.9-58.30000110.1P129 Y133 V233P129-T131 PolarHBondContact O-N 2.97Å; P129-T131 VanDerWaalsContact O-N 3.13Å; P129-T131 PolarHBondContact O-OG1 3.21Å; P129-T131 VanDerWaalsContact O-OG1 3.14Å; T131-Y133 HydrophobicContact CG2-CD1 4.25Å; T131-Y133 HydrophobicContact CG2-CD2 4.19Å; T131-Y133 HydrophobicContact CG2-CE1 4Å; T131-Y133 HydrophobicContact CG2-CE2 3.94Å; T131-Y133 HydrophobicContact CG2-CG 4.34Å; T131-Y133 WeakPolarHBondContact O-CD2 3.32Å; T131-Y133 PolarHBondContact O-N 3.44Å; T131-V233 HydrophobicContact CG2-CB 4.41Å; T131-V233 HydrophobicContact CG2-CG1 3.86Å; T131-V233 HydrophobicContact CG2-CG2 4.23Å
132D93.5Very high91.5Very high109 Ų10971.1 Ų71.158%0.58340%0.4SS*.  trans-7994171.7179.339.2000110.6K134D132-K134 IonicContact OD2-NZ 2.75Å; D132-K134 PolarHBondContact OD2-NZ 3.18Å
133Y96.4Very high92.3Very high35 Ų3565.7 Ų65.714%0.13737%0.369CS..  trans-76.6122.9-178.7-72.2-79.3000112.4T131 C135 S228 T230 V233 P234 V236T131-Y133 HydrophobicContact CG2-CD1 4.25Å; T131-Y133 HydrophobicContact CG2-CD2 4.19Å; T131-Y133 HydrophobicContact CG2-CE1 4Å; T131-Y133 HydrophobicContact CG2-CE2 3.94Å; T131-Y133 HydrophobicContact CG2-CG 4.34Å; T131-Y133 WeakPolarHBondContact O-CD2 3.32Å; T131-Y133 PolarHBondContact O-N 3.44Å; Y133-C135 VanDerWaalsContact C-N 3.34Å; Y133-C135 PolarHBondContact O-N 3.21Å; Y133-S228 VanDerWaalsContact CG-CB 3.48Å; Y133-T230 WeakPolarHBondContact CA-OG1 3.46Å; Y133-V233 HydrophobicContact CE1-CG1 4.39Å; Y133-P234 PolarHBondContact OH-O 2.72Å; Y133-V236 HydrophobicContact CE2-CB 4.45Å; Y133-V236 HydrophobicContact CE2-CG2 4.45Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.07Å
134K97Very high93.5Very high57 Ų5763.7 Ų63.725%0.24836%0.356CS..SBendtrans-69.5-27.1-179.8-56-50.8174.5-166.30114.4D132 H200 E201 V203 L229 T230D132-K134 IonicContact OD2-NZ 2.75Å; D132-K134 PolarHBondContact OD2-NZ 3.18Å; K134-H200 PolarHBondContact O-N 2.97Å; K134-E201 HydrophobicContact CB-CB 4.08Å; K134-E201 HydrophobicContact CG-CB 4.27Å; K134-V203 HydrophobicContact CB-CG2 4.02Å; K134-L229 PolarHBondContact N-O 2.87Å; K134-T230 HydrophobicContact CG-CG2 3.95Å; K134-T230 PolarHBondContact N-OG1 3.47Å
135C97.7Very high94.5Very high0 Ų059.9 Ų59.90%033%0.333CS..EExtended strand (participates in β ladder)trans-131.8131.3174.3-62.20000110.4Y133 V162 E198 E201 S228 L229Y133-C135 VanDerWaalsContact C-N 3.34Å; Y133-C135 PolarHBondContact O-N 3.21Å; C135-V162 HydrophobicContact CB-CB 4.18Å; C135-V162 HydrophobicContact CB-CG1 4.12Å; C135-V162 HydrophobicContact CB-CG2 3.98Å; C135-E198 CarbonylContact C-O 3.52Å; C135-E198 VanDerWaalsContact CA-O 3.28Å; C135-E198 WeakPolarHBondContact CA-O 3.37Å; C135-E201 PolarHBondContact SG-O 3.25Å; C135-S228 CarbonylContact O-C 3.57Å; C135-S228 WeakPolarHBondContact O-CA 3.22Å; C135-L229 HydrophobicContact CB-CB 4.13Å; C135-L229 PolarHBondContact N-O 2.8Å; C135-L229 PolarHBondContact O-N 2.85Å
136I97.6Very high95.3Very high48 Ų4861.5 Ų61.525%0.24634%0.335CS..EExtended strand (participates in β ladder)trans-126.2117.9173.1-57.1173.6000107.8E198 V226I136-E198 HydrophobicContact CB-CB 4.29Å; I136-E198 PolarHBondContact N-O 3.27Å; I136-E198 PolarHBondContact O-N 2.94Å; I136-V226 HydrophobicContact CG2-CG1 3.56Å
137I98Very high95.9Very high0 Ų058.1 Ų58.10%032%0.317CS..EExtended strand (participates in β ladder)trans-115.3122.2-178.2-53.7144.3000108.5M139 V162 V167 S196 I197 V226 L227 L229I137-M139 HydrophobicContact CB-CE 4.22Å; I137-M139 HydrophobicContact CG2-CE 3.37Å; I137-V162 HydrophobicContact CD1-CG2 3.75Å; I137-V162 HydrophobicContact CG1-CG2 4.41Å; I137-V167 HydrophobicContact CD1-CB 4.21Å; I137-V167 HydrophobicContact CD1-CG2 3.81Å; I137-V167 HydrophobicContact CG2-CG1 4.15Å; I137-S196 CarbonylContact C-O 3.54Å; I137-S196 WeakPolarHBondContact CA-O 3.35Å; I137-I197 HydrophobicContact CG1-CG2 4.47Å; I137-I197 HydrophobicContact CG2-CG1 4.28Å; I137-V226 CarbonylContact O-C 3.5Å; I137-V226 VanDerWaalsContact O-CA 3.29Å; I137-V226 WeakPolarHBondContact O-CA 3.37Å; I137-L227 HydrophobicContact CB-CB 4.47Å; I137-L227 HydrophobicContact CD1-CD2 4.19Å; I137-L227 PolarHBondContact N-O 3.45Å; I137-L227 PolarHBondContact O-N 3.05Å; I137-L229 HydrophobicContact CD1-CD1 3.79Å
138R98.2Very high96.3Very high102 Ų10254.4 Ų54.439%0.38528%0.279SS..EExtended strand (participates in β ladder)trans-106.3126.6170-176-179-64.3-79.1-4.5108.9V195 S196 Q224 V225 V226R138-V195 CarbonylContact O-C 3.58Å; R138-V195 VanDerWaalsContact O-CA 3.3Å; R138-V195 WeakPolarHBondContact O-CA 2.92Å; R138-S196 PolarHBondContact N-O 3.13Å; R138-S196 PolarHBondContact O-N 3.06Å; R138-Q224 HydrophobicContact CG-CB 4.46Å; R138-V225 WeakPolarHBondContact CA-O 3.47Å; R138-V226 HydrophobicContact CB-CG2 4.48Å; R138-V226 HydrophobicContact CG-CG2 4.35Å; R138-V226 VanDerWaalsContact CZ-CG2 3.42Å
139M98.2Very high96.7Very high0 Ų055.8 Ų55.80%028%0.278CS..EExtended strand (participates in β ladder)trans-146.7167.1179.975.4-174.580.800111.5I137 S141 L144 F169 L182 V195 Q224 V225I137-M139 HydrophobicContact CB-CE 4.22Å; I137-M139 HydrophobicContact CG2-CE 3.37Å; M139-S141 PolarHBondContact O-N 3.3Å; M139-L144 HydrophobicContact CG-CB 4.37Å; M139-L144 HydrophobicContact SD-CB 3.86Å; M139-L144 HydrophobicContact SD-CD1 4.12Å; M139-L144 HydrophobicContact SD-CG 4.47Å; M139-F169 HydrophobicContact CE-CE2 4.33Å; M139-F169 HydrophobicContact CE-CZ 3.69Å; M139-F169 HydrophobicContact SD-CZ 4.26Å; M139-L182 HydrophobicContact CB-CD1 4.47Å; M139-L182 HydrophobicContact CE-CD1 4.41Å; M139-L182 HydrophobicContact SD-CD1 3.72Å; M139-V195 HydrophobicContact CB-CG2 4.22Å; M139-Q224 VanDerWaalsContact O-CA 3.32Å; M139-Q224 WeakPolarHBondContact O-CA 3.22Å; M139-V225 HydrophobicContact CG-CG1 3.79Å; M139-V225 PolarHBondContact N-O 2.78Å; M139-V225 PolarHBondContact O-N 3.26Å
140P98.2Very high97.1Very high23 Ų2354.4 Ų54.415%0.14927%0.265CS..EExtended strand (participates in β ladder)trans-61.7129.9173.1-21.333.4000111.1A142 Q143 L144 S223P140-A142 PolarHBondContact O-N 3.13Å; P140-Q143 HydrophobicContact CB-CB 4.05Å; P140-Q143 HydrophobicContact CG-CB 4.41Å; P140-Q143 WeakPolarHBondContact O-CA 3.29Å; P140-Q143 VanDerWaalsContact O-CB 3.29Å; P140-Q143 WeakPolarHBondContact O-CB 3.4Å; P140-Q143 PolarHBondContact O-N 2.8Å; P140-L144 PolarHBondContact O-N 2.94Å; P140-S223 WeakPolarHBondContact CA-O 3.46Å
141S98.3Very high97.5Very high7 Ų746.1 Ų46.15%0.04922%0.221CC..Hα-helixtrans-58.6-39-178.5-570000112M139 Q143 L144 Q145 S222 S223 Q224 V225M139-S141 PolarHBondContact O-N 3.3Å; S141-Q143 PolarHBondContact O-N 3.23Å; S141-L144 PolarHBondContact O-N 3.35Å; S141-Q145 WeakPolarHBondContact O-CB 3.41Å; S141-Q145 PolarHBondContact O-N 3.1Å; S141-S222 VanDerWaalsContact CB-O 3.26Å; S141-S222 WeakPolarHBondContact CB-O 3.41Å; S141-S222 PolarHBondContact OG-O 2.94Å; S141-S223 PolarHBondContact N-O 2.92Å; S141-Q224 WeakPolarHBondContact OG-CA 3.43Å; S141-Q224 PolarHBondContact OG-N 3.46Å; S141-Q224 PolarHBondContact OG-O 2.89Å; S141-V225 PolarHBondContact OG-N 3.38Å
142A98Very high97.7Very high62 Ų6245.8 Ų45.851%0.51222%0.221SC..Hα-helixtrans-62.9-31.4176.100000112.7P140 R146P140-A142 PolarHBondContact O-N 3.13Å; A142-R146 WeakPolarHBondContact O-CB 3.38Å; A142-R146 PolarHBondContact O-N 3.37Å
143Q97.7Very high97.9Very high64 Ų6447.2 Ų47.230%0.29922%0.224SC..Hα-helixtrans-69.9-46.1176.1-176.561.722.300110.6P140 S141 R146 I147 L182P140-Q143 HydrophobicContact CB-CB 4.05Å; P140-Q143 HydrophobicContact CG-CB 4.41Å; P140-Q143 WeakPolarHBondContact O-CA 3.29Å; P140-Q143 VanDerWaalsContact O-CB 3.29Å; P140-Q143 WeakPolarHBondContact O-CB 3.4Å; P140-Q143 PolarHBondContact O-N 2.8Å; S141-Q143 PolarHBondContact O-N 3.23Å; Q143-R146 PolarHBondContact O-N 2.74Å; Q143-I147 HydrophobicContact CG-CD1 4.07Å; Q143-I147 VanDerWaalsContact O-CG1 3.27Å; Q143-I147 WeakPolarHBondContact O-CG1 3.49Å; Q143-I147 PolarHBondContact O-N 2.98Å; Q143-L182 HydrophobicContact CG-CD1 4.15Å; Q143-L182 HydrophobicContact CG-CD2 4.17Å
144L98.1Very high97.9Very high7 Ų747.5 Ų47.54%0.03723%0.227CC..Hα-helixtrans-61.3-46.6175.7-176.661.7000111.3M139 P140 S141 R146 I147 C148 F169 T216 V225M139-L144 HydrophobicContact CG-CB 4.37Å; M139-L144 HydrophobicContact SD-CB 3.86Å; M139-L144 HydrophobicContact SD-CD1 4.12Å; M139-L144 HydrophobicContact SD-CG 4.47Å; P140-L144 PolarHBondContact O-N 2.94Å; S141-L144 PolarHBondContact O-N 3.35Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.14Å; L144-I147 PolarHBondContact O-N 2.9Å; L144-I147 VanDerWaalsContact O-N 3.13Å; L144-C148 PolarHBondContact O-N 3.06Å; L144-C148 PolarHBondContact O-SG 3.13Å; L144-F169 HydrophobicContact CD1-CE1 3.91Å; L144-F169 HydrophobicContact CD1-CZ 4.23Å; L144-T216 HydrophobicContact CG-CG2 4.32Å; L144-V225 HydrophobicContact CB-CG1 4.01Å; L144-V225 HydrophobicContact CD2-CG1 3.69Å; L144-V225 HydrophobicContact CD2-CG2 4.16Å
145Q98.2Very high97.9Very high68 Ų6845.2 Ų45.232%0.31822%0.22SC..Hα-helixtrans-56-44.4177-177.5177.956.600112.3S141 R149 T216S141-Q145 WeakPolarHBondContact O-CB 3.41Å; S141-Q145 PolarHBondContact O-N 3.1Å; Q145-R149 WeakPolarHBondContact O-CB 3.32Å; Q145-R149 PolarHBondContact O-N 2.78Å; Q145-T216 HydrophobicContact CB-CG2 4.16Å; Q145-T216 PolarHBondContact NE2-O 2.84Å; Q145-T216 VanDerWaalsContact NE2-O 3.12Å
146R98.4Very high97.9Very high143 Ų14351.8 Ų51.854%0.5426%0.255SS..Hα-helixtrans-61.9-47.9175.8176.8172.5-174.4-179.82.9111.5A142 Q143 L144 C148 R149 D150A142-R146 WeakPolarHBondContact O-CB 3.38Å; A142-R146 PolarHBondContact O-N 3.37Å; Q143-R146 PolarHBondContact O-N 2.74Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.14Å; R146-C148 VanDerWaalsContact C-N 3.35Å; R146-C148 PolarHBondContact O-N 3.44Å; R146-R149 PolarHBondContact O-N 2.88Å; R146-D150 VanDerWaalsContact CG-OD2 3.27Å; R146-D150 WeakPolarHBondContact CG-OD2 3.44Å; R146-D150 IonicContact NE-OD2 3.43Å; R146-D150 PolarHBondContact NE-OD2 2.96Å; R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.41Å; R146-D150 PolarHBondContact O-N 3.16Å
147I98.5Very high97.9Very high3 Ų352.1 Ų52.12%0.01526%0.262CS..Hα-helixtrans-56.5-49.4178.9-70.8167.4000110.6Q143 L144 D150 L151 F169 V180 L182Q143-I147 HydrophobicContact CG-CD1 4.07Å; Q143-I147 VanDerWaalsContact O-CG1 3.27Å; Q143-I147 WeakPolarHBondContact O-CG1 3.49Å; Q143-I147 PolarHBondContact O-N 2.98Å; L144-I147 PolarHBondContact O-N 2.9Å; L144-I147 VanDerWaalsContact O-N 3.13Å; I147-D150 PolarHBondContact O-N 3.18Å; I147-L151 HydrophobicContact CG2-CD1 3.77Å; I147-L151 HydrophobicContact CG2-CG 4.32Å; I147-L151 WeakPolarHBondContact O-CB 3.49Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.42Å; I147-L151 PolarHBondContact O-N 3.13Å; I147-F169 HydrophobicContact CD1-CD2 3.99Å; I147-F169 HydrophobicContact CD1-CE2 4.11Å; I147-F169 HydrophobicContact CG2-CB 3.6Å; I147-F169 HydrophobicContact CG2-CD1 4.06Å; I147-F169 HydrophobicContact CG2-CD2 4.16Å; I147-F169 HydrophobicContact CG2-CG 3.69Å; I147-V180 HydrophobicContact CD1-CG1 3.95Å; I147-V180 HydrophobicContact CG1-CB 4.27Å; I147-V180 HydrophobicContact CG1-CG1 3.89Å; I147-V180 HydrophobicContact CG1-CG2 4.48Å; I147-L182 HydrophobicContact CD1-CD1 3.98Å; I147-L182 HydrophobicContact CD1-CD2 4.4Å; I147-L182 HydrophobicContact CD1-CG 4.31Å
148C98.2Very high97.9Very high2 Ų252.2 Ų52.21%0.01426%0.262CS..Hα-helixtrans-60.2-49.6179.8-62.80000111.6L144 R146 D150 L151 S152 L209 F212 T216L144-C148 PolarHBondContact O-N 3.06Å; L144-C148 PolarHBondContact O-SG 3.13Å; R146-C148 VanDerWaalsContact C-N 3.35Å; R146-C148 PolarHBondContact O-N 3.44Å; C148-D150 PolarHBondContact O-N 3.47Å; C148-L151 PolarHBondContact O-N 3.46Å; C148-S152 WeakPolarHBondContact O-CB 3.29Å; C148-S152 PolarHBondContact O-N 2.94Å; C148-S152 PolarHBondContact O-OG 3.25Å; C148-L209 HydrophobicContact CB-CD2 4.27Å; C148-F212 HydrophobicContact CB-CB 4.41Å; C148-T216 HydrophobicContact CB-CG2 4.39Å
149R98Very high97.9Very high127 Ų12749.6 Ų49.648%0.47926%0.257SS..Hα-helixtrans-59.7-45.8179.3-178.9-171.164.2-148.6-4.2112.3Q145 R146 S152 Q153 N213Q145-R149 WeakPolarHBondContact O-CB 3.32Å; Q145-R149 PolarHBondContact O-N 2.78Å; R146-R149 PolarHBondContact O-N 2.88Å; R149-S152 PolarHBondContact O-N 3.09Å; R149-Q153 PolarHBondContact O-NE2 2.98Å; R149-N213 PolarHBondContact N-OD1 2.88Å
150D98Very high97.9Very high65 Ų6549.6 Ų49.635%0.34826%0.257SS..Hα-helixtrans-69.3-42.5-175.7-64.40000110R146 I147 C148 S152 Q153R146-D150 VanDerWaalsContact CG-OD2 3.27Å; R146-D150 WeakPolarHBondContact CG-OD2 3.44Å; R146-D150 IonicContact NE-OD2 3.43Å; R146-D150 PolarHBondContact NE-OD2 2.96Å; R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.41Å; R146-D150 PolarHBondContact O-N 3.16Å; I147-D150 PolarHBondContact O-N 3.18Å; C148-D150 PolarHBondContact O-N 3.47Å; D150-S152 VanDerWaalsContact C-N 3.33Å; D150-S152 PolarHBondContact O-N 2.96Å; D150-Q153 WeakPolarHBondContact O-CB 3.38Å; D150-Q153 PolarHBondContact O-N 3.06Å
151L98.3Very high97.9Very high4 Ų449.9 Ų49.92%0.02126%0.26CS..Hα-helixtrans-69.2-27.2176.7-68.1-179.9000113.5I147 C148 Q153 I154 G155 V158 F169 L209I147-L151 HydrophobicContact CG2-CD1 3.77Å; I147-L151 HydrophobicContact CG2-CG 4.32Å; I147-L151 WeakPolarHBondContact O-CB 3.49Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.42Å; I147-L151 PolarHBondContact O-N 3.13Å; C148-L151 PolarHBondContact O-N 3.46Å; L151-Q153 PolarHBondContact O-N 3.11Å; L151-I154 WeakPolarHBondContact O-CB 3.24Å; L151-I154 PolarHBondContact O-N 3.1Å; L151-G155 PolarHBondContact O-N 3.06Å; L151-V158 HydrophobicContact CD1-CG2 3.78Å; L151-F169 HydrophobicContact CD1-CB 3.7Å; L151-L209 HydrophobicContact CB-CD1 3.88Å; L151-L209 HydrophobicContact CB-CD2 4.28Å
152S97.5Very high97.9Very high36 Ų3649.7 Ų49.725%0.25226%0.258SS..THydrogen-bonded Turntrans-68.1-12.2172.8-63.50000114.3C148 R149 D150 I154 L209 N213C148-S152 WeakPolarHBondContact O-CB 3.29Å; C148-S152 PolarHBondContact O-N 2.94Å; C148-S152 PolarHBondContact O-OG 3.25Å; R149-S152 PolarHBondContact O-N 3.09Å; D150-S152 VanDerWaalsContact C-N 3.33Å; D150-S152 PolarHBondContact O-N 2.96Å; S152-I154 VanDerWaalsContact C-N 3.26Å; S152-L209 WeakPolarHBondContact OG-CB 3.39Å; S152-N213 PolarHBondContact OG-ND2 3.3Å
153Q96.7Very high97.8Very high139 Ų13948.6 Ų48.665%0.6525%0.249SC*.THydrogen-bonded Turntrans-78.6-14.2169.3-53.7-52.7-63.600112.3R149 D150 L151R149-Q153 PolarHBondContact O-NE2 2.98Å; D150-Q153 WeakPolarHBondContact O-CB 3.38Å; D150-Q153 PolarHBondContact O-N 3.06Å; L151-Q153 PolarHBondContact O-N 3.11Å
154I97Very high97.6Very high40 Ų4055.2 Ų55.221%0.20528%0.277CS..THydrogen-bonded Turntrans-102.3-46.3-175.4-54.6-57.5000111.3L151 S152 G173 L175 G176L151-I154 WeakPolarHBondContact O-CB 3.24Å; L151-I154 PolarHBondContact O-N 3.1Å; S152-I154 VanDerWaalsContact C-N 3.26Å; I154-G173 VanDerWaalsContact O-CA 3.3Å; I154-G173 WeakPolarHBondContact O-CA 3.44Å; I154-L175 HydrophobicContact CD1-CD2 4.36Å; I154-G176 WeakPolarHBondContact CG2-O 3.44Å
155G97.3Very high97.3Very high9 Ų959.5 Ų59.59%0.09330%0.3CS..  trans-163.5175.2-178.400000113L151 S171 L209L151-G155 PolarHBondContact O-N 3.06Å; G155-S171 WeakPolarHBondContact CA-OG 3.2Å; G155-S171 PolarHBondContact N-OG 3.11Å; G155-L209 VanDerWaalsContact O-CD1 3.22Å; G155-L209 WeakPolarHBondContact O-CD1 3.5Å
156D97.7Very high97.2Very high139 Ų13956.6 Ų56.674%0.74329%0.288SS*.SBendtrans-87.7-9.4-171.4-62.3-39.6000114.3L209D156-L209 PolarHBondContact O-N 2.74Å
157S98Very high97.2Very high55 Ų5549.8 Ų49.839%0.38526%0.262SS..EExtended strand (participates in β ladder)trans-128.2151.6-176.6-61.50000112S171 Y207 L209S157-S171 VanDerWaalsContact O-CB 3.3Å; S157-S171 WeakPolarHBondContact O-CB 3.47Å; S157-S171 PolarHBondContact O-OG 3.3Å; S157-Y207 CarbonylContact C-O 3.58Å; S157-Y207 WeakPolarHBondContact CA-O 3.38Å; S157-Y207 WeakPolarHBondContact CB-O 3.48Å; S157-L209 WeakPolarHBondContact O-CD1 3.03Å
158V98.3Very high97.2Very high2 Ų251 Ų511%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-119.6128.3172.4590000109.6L151 I160 F169 S170 T206 Y207 L209L151-V158 HydrophobicContact CD1-CG2 3.78Å; V158-I160 HydrophobicContact CG1-CD1 4.43Å; V158-I160 HydrophobicContact CG1-CG1 4.27Å; V158-I160 HydrophobicContact CG2-CG1 4Å; V158-F169 HydrophobicContact CG2-CB 3.98Å; V158-F169 HydrophobicContact CG2-CD1 4.2Å; V158-S170 CarbonylContact C-O 3.57Å; V158-S170 WeakPolarHBondContact CA-O 3.17Å; V158-T206 CarbonylContact O-C 3.59Å; V158-T206 WeakPolarHBondContact O-CA 3.35Å; V158-Y207 PolarHBondContact N-O 2.91Å; V158-Y207 PolarHBondContact O-N 2.83Å; V158-L209 HydrophobicContact CB-CD1 4.2Å; V158-L209 HydrophobicContact CB-CD2 3.8Å; V158-L209 HydrophobicContact CB-CG 3.8Å; V158-L209 HydrophobicContact CG1-CD2 3.86Å; V158-L209 HydrophobicContact CG1-CG 3.98Å
159V98.2Very high97.2Very high47 Ų4750.9 Ų50.929%0.28527%0.27SS..EExtended strand (participates in β ladder)trans-89.9117.5165.9-1750000107.4F169 S170 M205 T206V159-F169 WeakPolarHBondContact O-CA 3.47Å; V159-S170 PolarHBondContact N-O 2.88Å; V159-S170 PolarHBondContact O-N 3.27Å; V159-M205 CarbonylContact C-O 3.47Å; V159-M205 WeakPolarHBondContact CA-O 3.31Å; V159-T206 HydrophobicContact CG2-CG2 4.49Å
160I98.2Very high97.2Very high0 Ų046.5 Ų46.50%026%0.259CS..EExtended strand (participates in β ladder)trans-103.6111.6175.3-51.1-179.8000107.3V158 V167 S168 F169 S204 M205 Y207 F212 L227 L229V158-I160 HydrophobicContact CG1-CD1 4.43Å; V158-I160 HydrophobicContact CG1-CG1 4.27Å; V158-I160 HydrophobicContact CG2-CG1 4Å; I160-V167 HydrophobicContact CG2-CG2 3.87Å; I160-S168 WeakPolarHBondContact CA-O 3.16Å; I160-F169 HydrophobicContact CD1-CD1 4.11Å; I160-F169 HydrophobicContact CD1-CE1 3.93Å; I160-F169 HydrophobicContact CG1-CD1 3.82Å; I160-F169 HydrophobicContact CG1-CE1 4.05Å; I160-F169 HydrophobicContact CG2-CD1 4.24Å; I160-F169 HydrophobicContact CG2-CE1 3.95Å; I160-F169 HydrophobicContact CG2-CZ 4.43Å; I160-S204 WeakPolarHBondContact O-CA 3.27Å; I160-M205 PolarHBondContact N-O 2.83Å; I160-M205 PolarHBondContact O-N 3.45Å; I160-Y207 HydrophobicContact CD1-CD2 3.73Å; I160-Y207 HydrophobicContact CD1-CE2 4.08Å; I160-Y207 HydrophobicContact CG1-CD2 4.13Å; I160-F212 HydrophobicContact CD1-CE1 3.65Å; I160-F212 HydrophobicContact CD1-CZ 3.6Å; I160-L227 HydrophobicContact CD1-CD2 3.97Å; I160-L227 HydrophobicContact CG2-CD2 4.4Å; I160-L229 HydrophobicContact CB-CD1 4.49Å; I160-L229 HydrophobicContact CG2-CD1 3.73Å
161S98Very high97.2Very high29 Ų2943.7 Ų43.720%0.20325%0.245CC..EExtended strand (participates in β ladder)trans-115.9128178.9-48.50000110.4V167 S168 V203 S204S161-V167 CarbonylContact O-C 3.57Å; S161-V167 WeakPolarHBondContact O-CA 3.29Å; S161-S168 PolarHBondContact N-O 2.93Å; S161-S168 PolarHBondContact O-N 3.23Å; S161-S168 PolarHBondContact O-OG 3.25Å; S161-V203 CarbonylContact C-O 3.53Å; S161-V203 VanDerWaalsContact CA-O 3.31Å; S161-V203 WeakPolarHBondContact CA-O 3.41Å; S161-S204 PolarHBondContact OG-OG 2.83Å
162V98Very high97.2Very high3 Ų349.5 Ų49.52%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-112.2122.6176.6-168.70000108.2C135 I137 V167 I197 M199 A202 V203 L229C135-V162 HydrophobicContact CB-CB 4.18Å; C135-V162 HydrophobicContact CB-CG1 4.12Å; C135-V162 HydrophobicContact CB-CG2 3.98Å; I137-V162 HydrophobicContact CD1-CG2 3.75Å; I137-V162 HydrophobicContact CG1-CG2 4.41Å; V162-V167 HydrophobicContact CG2-CB 4.44Å; V162-V167 HydrophobicContact CG2-CG2 4.11Å; V162-I197 HydrophobicContact CG1-CG2 3.87Å; V162-M199 HydrophobicContact CG1-CB 4.26Å; V162-M199 HydrophobicContact CG1-CG 4.08Å; V162-M199 HydrophobicContact CG1-SD 4.1Å; V162-A202 WeakPolarHBondContact O-CA 3.43Å; V162-V203 PolarHBondContact N-O 3.37Å; V162-V203 PolarHBondContact O-N 3.02Å; V162-L229 HydrophobicContact CG2-CD1 3.95Å
163A95.8Very high97.2Very high39 Ų3948.9 Ų48.932%0.32228%0.275SS..EExtended strand (participates in β ladder)trans-137.2177.7178.800000110.1D165 G166 M199A163-D165 WeakPolarHBondContact CB-OD1 3.3Å; A163-D165 PolarHBondContact O-N 2.91Å; A163-G166 PolarHBondContact N-O 2.94Å; A163-G166 PolarHBondContact O-N 3.34Å; A163-G166 VanDerWaalsContact O-N 3.1Å; A163-G166 VanDerWaalsContact O-O 3.05Å; A163-M199 VanDerWaalsContact CA-SD 3.52Å
164K92.4Very high97.1Very high202 Ų20251 Ų5188%0.87829%0.291SS*.THydrogen-bonded Turntrans-57.1-26.5-177.4-68.8-175.9178-179.50113.7M199K164-M199 HydrophobicContact CB-CE 4.38Å; K164-M199 HydrophobicContact CG-CE 3.69Å
165D91.9Very high96.9Very high98 Ų9856 Ų5652%0.52432%0.317SS..THydrogen-bonded Turntrans-984.7-17566-25000113.5A163 K181A163-D165 WeakPolarHBondContact CB-OD1 3.3Å; A163-D165 PolarHBondContact O-N 2.91Å; D165-K181 WeakPolarHBondContact O-CE 3.4Å; D165-K181 PolarHBondContact O-NZ 3.01Å; D165-K181 VanDerWaalsContact O-NZ 3.14Å; D165-K181 IonicContact OD1-NZ 3.81Å; D165-K181 IonicContact OD2-NZ 3.82Å; D165-K181 PolarHBondContact OD2-NZ 3.38Å
166G96.8Very high96.9Very high6 Ų657 Ų576%0.06233%0.327CS..EExtended strand (participates in β ladder)trans134.6-163.3173.800000113.9A163 L182A163-G166 PolarHBondContact N-O 2.94Å; A163-G166 PolarHBondContact O-N 3.34Å; A163-G166 VanDerWaalsContact O-N 3.1Å; A163-G166 VanDerWaalsContact O-O 3.05Å; G166-L182 WeakPolarHBondContact CA-O 3.26Å
167V98.3Very high96.9Very high0 Ų055.7 Ų55.70%033%0.325CS..EExtended strand (participates in β ladder)trans-109.8134.5172.1580000109.8I137 I160 S161 V162 F169 K181 L182 I197I137-V167 HydrophobicContact CD1-CB 4.21Å; I137-V167 HydrophobicContact CD1-CG2 3.81Å; I137-V167 HydrophobicContact CG2-CG1 4.15Å; I160-V167 HydrophobicContact CG2-CG2 3.87Å; S161-V167 CarbonylContact O-C 3.57Å; S161-V167 WeakPolarHBondContact O-CA 3.29Å; V162-V167 HydrophobicContact CG2-CB 4.44Å; V162-V167 HydrophobicContact CG2-CG2 4.11Å; V167-F169 HydrophobicContact CB-CE2 4.44Å; V167-F169 HydrophobicContact CG1-CE2 3.9Å; V167-F169 HydrophobicContact CG1-CZ 4.44Å; V167-F169 HydrophobicContact CG2-CD2 4.34Å; V167-F169 HydrophobicContact CG2-CE2 3.71Å; V167-F169 HydrophobicContact CG2-CZ 3.84Å; V167-K181 CarbonylContact O-C 3.53Å; V167-K181 WeakPolarHBondContact O-CA 3.23Å; V167-L182 HydrophobicContact CG1-CB 3.84Å; V167-L182 HydrophobicContact CG1-CD1 4.49Å; V167-L182 HydrophobicContact CG1-CG 4.47Å; V167-L182 PolarHBondContact N-O 3.35Å; V167-L182 PolarHBondContact O-N 3.49Å; V167-I197 HydrophobicContact CB-CD1 4.4Å; V167-I197 HydrophobicContact CG1-CD1 4.02Å
168S98.3Very high96.9Very high28 Ų2853.9 Ų53.920%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-115.9138.6172.858.30000111.6I160 S161 V180I160-S168 WeakPolarHBondContact CA-O 3.16Å; S161-S168 PolarHBondContact N-O 2.93Å; S161-S168 PolarHBondContact O-N 3.23Å; S161-S168 PolarHBondContact O-OG 3.25Å; S168-V180 CarbonylContact C-O 3.26Å; S168-V180 WeakPolarHBondContact CA-O 3.37Å
169F98.6Very high96.9Very high1 Ų158.7 Ų58.70%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-114.5112.4172.9-57.9-98.1000107.5M139 L144 I147 L151 V158 V159 I160 V167 N179 V180 L182 L227M139-F169 HydrophobicContact CE-CE2 4.33Å; M139-F169 HydrophobicContact CE-CZ 3.69Å; M139-F169 HydrophobicContact SD-CZ 4.26Å; L144-F169 HydrophobicContact CD1-CE1 3.91Å; L144-F169 HydrophobicContact CD1-CZ 4.23Å; I147-F169 HydrophobicContact CD1-CD2 3.99Å; I147-F169 HydrophobicContact CD1-CE2 4.11Å; I147-F169 HydrophobicContact CG2-CB 3.6Å; I147-F169 HydrophobicContact CG2-CD1 4.06Å; I147-F169 HydrophobicContact CG2-CD2 4.16Å; I147-F169 HydrophobicContact CG2-CG 3.69Å; L151-F169 HydrophobicContact CD1-CB 3.7Å; V158-F169 HydrophobicContact CG2-CB 3.98Å; V158-F169 HydrophobicContact CG2-CD1 4.2Å; V159-F169 WeakPolarHBondContact O-CA 3.47Å; I160-F169 HydrophobicContact CD1-CD1 4.11Å; I160-F169 HydrophobicContact CD1-CE1 3.93Å; I160-F169 HydrophobicContact CG1-CD1 3.82Å; I160-F169 HydrophobicContact CG1-CE1 4.05Å; I160-F169 HydrophobicContact CG2-CD1 4.24Å; I160-F169 HydrophobicContact CG2-CE1 3.95Å; I160-F169 HydrophobicContact CG2-CZ 4.43Å; V167-F169 HydrophobicContact CB-CE2 4.44Å; V167-F169 HydrophobicContact CG1-CE2 3.9Å; V167-F169 HydrophobicContact CG1-CZ 4.44Å; V167-F169 HydrophobicContact CG2-CD2 4.34Å; V167-F169 HydrophobicContact CG2-CE2 3.71Å; V167-F169 HydrophobicContact CG2-CZ 3.84Å; F169-N179 WeakPolarHBondContact O-CA 3.42Å; F169-V180 PolarHBondContact N-O 3.08Å; F169-V180 PolarHBondContact O-N 3.08Å; F169-L182 HydrophobicContact CE2-CD1 4.11Å; F169-L182 HydrophobicContact CE2-CG 4.42Å; F169-L227 HydrophobicContact CE1-CD2 4.46Å
170S98.5Very high96.9Very high35 Ų3558.6 Ų58.625%0.24534%0.339CS..EExtended strand (participates in β ladder)trans-121.1141.6-175.6-450000111.1V158 V159 G178 N179V158-S170 CarbonylContact C-O 3.57Å; V158-S170 WeakPolarHBondContact CA-O 3.17Å; V159-S170 PolarHBondContact N-O 2.88Å; V159-S170 PolarHBondContact O-N 3.27Å; S170-G178 CarbonylContact C-O 3.55Å; S170-G178 VanDerWaalsContact CA-O 3.23Å; S170-G178 WeakPolarHBondContact CA-O 3.49Å; S170-N179 PolarHBondContact OG-OD1 2.64Å
171S98.5Very high96.9Very high6 Ų662.9 Ų62.94%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-133.8147.2173179.80000109.7G155 S157 T177 G178G155-S171 WeakPolarHBondContact CA-OG 3.2Å; G155-S171 PolarHBondContact N-OG 3.11Å; S157-S171 VanDerWaalsContact O-CB 3.3Å; S157-S171 WeakPolarHBondContact O-CB 3.47Å; S157-S171 PolarHBondContact O-OG 3.3Å; S171-T177 CarbonylContact O-C 3.59Å; S171-T177 WeakPolarHBondContact O-CA 3.25Å; S171-G178 PolarHBondContact N-O 3.12Å; S171-G178 PolarHBondContact O-N 3.04Å
172N97.7Very high96.9Very high125 Ų12562.4 Ų62.467%0.66835%0.353SS*.EExtended strand (participates in β ladder)trans-133.3130.8177.6-176.924.5000108.4G176 T177N172-G176 PolarHBondContact OD1-O 2.92Å; N172-T177 HydrophobicContact CB-CG2 4.21Å; N172-T177 WeakPolarHBondContact OD1-CG2 3.36Å
173G96.9Very high96.8Very high23 Ų2365.8 Ų65.824%0.23738%0.376CS..EExtended strand (participates in β ladder)trans-159.4-170.7175.800000111.4I154 L175 G176I154-G173 VanDerWaalsContact O-CA 3.3Å; I154-G173 WeakPolarHBondContact O-CA 3.44Å; G173-L175 VanDerWaalsContact C-N 3.26Å; G173-L175 PolarHBondContact O-N 3.43Å; G173-G176 PolarHBondContact N-O 3.02Å; G173-G176 PolarHBondContact O-N 3.32Å
174D95.6Very high96.8Very high183 Ų18370.4 Ų70.498%0.97939%0.391SS*.THydrogen-bonded Turntrans-62.6-31-169-65-19.7000113.7G176D174-G176 VanDerWaalsContact C-N 3.33Å
175L93.1Very high96.9Very high146 Ų14663.4 Ų63.476%0.76437%0.367SS*.THydrogen-bonded Turntrans-75.2-23.9178.9-170.366000112.5I154 G173I154-L175 HydrophobicContact CD1-CD2 4.36Å; G173-L175 VanDerWaalsContact C-N 3.26Å; G173-L175 PolarHBondContact O-N 3.43Å
176G96.2Very high97Very high29 Ų2963.5 Ų63.530%0.29938%0.381SS..EExtended strand (participates in β ladder)trans145.2-149.9-177.600000113.1I154 N172 G173 D174I154-G176 WeakPolarHBondContact CG2-O 3.44Å; N172-G176 PolarHBondContact OD1-O 2.92Å; G173-G176 PolarHBondContact N-O 3.02Å; G173-G176 PolarHBondContact O-N 3.32Å; D174-G176 VanDerWaalsContact C-N 3.33Å
177T97.6Very high96.8Very high113 Ų11365.7 Ų65.769%0.69339%0.392SS*.EExtended strand (participates in β ladder)trans-122.2147.8-178.958.80000110.9S171 N172S171-T177 CarbonylContact O-C 3.59Å; S171-T177 WeakPolarHBondContact O-CA 3.25Å; N172-T177 HydrophobicContact CB-CG2 4.21Å; N172-T177 WeakPolarHBondContact OD1-CG2 3.36Å
178G97.8Very high96.4Very high16 Ų1670.4 Ų70.417%0.16543%0.431CS..EExtended strand (participates in β ladder)trans-127.3141.117300000109.8S170 S171S170-G178 CarbonylContact C-O 3.55Å; S170-G178 VanDerWaalsContact CA-O 3.23Å; S170-G178 WeakPolarHBondContact CA-O 3.49Å; S171-G178 PolarHBondContact N-O 3.12Å; S171-G178 PolarHBondContact O-N 3.04Å
179N98Very high96.2Very high104 Ų10476.3 Ų76.356%0.55646%0.46SS*.EExtended strand (participates in β ladder)trans-143.2124.3175.3-177.755.6000110.4F169 S170F169-N179 WeakPolarHBondContact O-CA 3.42Å; S170-N179 PolarHBondContact OG-OD1 2.64Å
180V98.2Very high95.9Very high44 Ų4480.7 Ų80.727%0.26748%0.479SS..EExtended strand (participates in β ladder)trans-119.7125.6173.4-175.40000108.6I147 S168 F169I147-V180 HydrophobicContact CD1-CG1 3.95Å; I147-V180 HydrophobicContact CG1-CB 4.27Å; I147-V180 HydrophobicContact CG1-CG1 3.89Å; I147-V180 HydrophobicContact CG1-CG2 4.48Å; S168-V180 CarbonylContact C-O 3.26Å; S168-V180 WeakPolarHBondContact CA-O 3.37Å; F169-V180 PolarHBondContact N-O 3.08Å; F169-V180 PolarHBondContact O-N 3.08Å
181K98.1Very high95.7Very high90 Ų9082.8 Ų82.839%0.39149%0.492SS..EExtended strand (participates in β ladder)trans-114.2131.4178.6-174176.9174.4-1710110.5D165 V167D165-K181 WeakPolarHBondContact O-CE 3.4Å; D165-K181 PolarHBondContact O-NZ 3.01Å; D165-K181 VanDerWaalsContact O-NZ 3.14Å; D165-K181 IonicContact OD1-NZ 3.81Å; D165-K181 IonicContact OD2-NZ 3.82Å; D165-K181 PolarHBondContact OD2-NZ 3.38Å; V167-K181 CarbonylContact O-C 3.53Å; V167-K181 WeakPolarHBondContact O-CA 3.23Å
182L97.7Very high95.5Very high20 Ų2086.2 Ų86.211%0.10551%0.507CS..EExtended strand (participates in β ladder)trans-111130.8170.7-52.8179.5000108.9M139 Q143 I147 G166 V167 F169 V195M139-L182 HydrophobicContact CB-CD1 4.47Å; M139-L182 HydrophobicContact CE-CD1 4.41Å; M139-L182 HydrophobicContact SD-CD1 3.72Å; Q143-L182 HydrophobicContact CG-CD1 4.15Å; Q143-L182 HydrophobicContact CG-CD2 4.17Å; I147-L182 HydrophobicContact CD1-CD1 3.98Å; I147-L182 HydrophobicContact CD1-CD2 4.4Å; I147-L182 HydrophobicContact CD1-CG 4.31Å; G166-L182 WeakPolarHBondContact CA-O 3.26Å; V167-L182 HydrophobicContact CG1-CB 3.84Å; V167-L182 HydrophobicContact CG1-CD1 4.49Å; V167-L182 HydrophobicContact CG1-CG 4.47Å; V167-L182 PolarHBondContact N-O 3.35Å; V167-L182 PolarHBondContact O-N 3.49Å; F169-L182 HydrophobicContact CE2-CD1 4.11Å; F169-L182 HydrophobicContact CE2-CG 4.42Å; L182-V195 HydrophobicContact CB-CG1 4.35Å
183C96.4Very high95.3Very high73 Ų7384.5 Ų84.549%0.49350%0.495SS..  trans-101156172.4-60.60000109.3S185C183-S185 PolarHBondContact O-N 2.95Å
184Q95.6Very high95.3Very high137 Ų13784.4 Ų84.464%0.6449%0.491SS*.  trans-55129171.1-174.3168.71.400110V195Q184-V195 WeakPolarHBondContact CA-O 3.35Å
185S95.6Very high95.4Very high54 Ų5476.2 Ų76.238%0.37845%0.448SS..BIsolated β-bridgetrans-142.8143.1-177.367.60000109.7C183 S194 V195C183-S185 PolarHBondContact O-N 2.95Å; S185-S194 WeakPolarHBondContact O-CB 3.18Å; S185-V195 PolarHBondContact N-O 3.26Å; S185-V195 PolarHBondContact O-N 2.88Å; S185-V195 VanDerWaalsContact O-O 3.06Å; S185-V195 PolarHBondContact OG-N 3.33Å; S185-V195 VanDerWaalsContact OG-N 3.11Å
186A93.4Very high95.6Very high100 Ų10071.2 Ų71.283%0.82642%0.424SS*.  trans-123.4127.5174.400000108.7
187N91.9Very high95.7Very high53 Ų5370.8 Ų70.828%0.28342%0.415SS..  trans-117.8106.4173-174.9-17000108.2D189 K190 P191 E193 S194N187-D189 VanDerWaalsContact C-N 3.31Å; N187-D189 PolarHBondContact O-N 3.23Å; N187-D189 PolarHBondContact OD1-N 3.26Å; N187-K190 WeakPolarHBondContact CB-O 3.39Å; N187-K190 CarbonylContact O-C 3.58Å; N187-K190 VanDerWaalsContact O-C 3.26Å; N187-K190 PolarHBondContact O-N 2.84Å; N187-K190 PolarHBondContact OD1-N 3.27Å; N187-K190 VanDerWaalsContact OD1-N 3.13Å; N187-P191 WeakPolarHBondContact O-CA 3.41Å; N187-E193 PolarHBondContact ND2-OE2 3.06Å; N187-S194 PolarHBondContact N-OG 2.6Å
188A91.1Very high95.6Very high98 Ų9870.4 Ų70.481%0.8141%0.406SS*.SBendtrans-67.6-32.2-176.200000112.7
189D93.9Very high95.6Very high153 Ų15372.4 Ų72.482%0.81841%0.411SS*.SBendtrans-80.1-29.4-179.3-63.8-36.4000111.9N187N187-D189 VanDerWaalsContact C-N 3.31Å; N187-D189 PolarHBondContact O-N 3.23Å; N187-D189 PolarHBondContact OD1-N 3.26Å
190K93Very high95.4Very high93 Ų9374.2 Ų74.240%0.40442%0.416SS..  trans-137.477.9-179.9-61.3-174.3-173.4-177.60111.8N187 E192 E193N187-K190 WeakPolarHBondContact CB-O 3.39Å; N187-K190 CarbonylContact O-C 3.58Å; N187-K190 VanDerWaalsContact O-C 3.26Å; N187-K190 PolarHBondContact O-N 2.84Å; N187-K190 PolarHBondContact OD1-N 3.27Å; N187-K190 VanDerWaalsContact OD1-N 3.13Å; K190-E192 VanDerWaalsContact C-OE2 3.25Å; K190-E192 WeakPolarHBondContact CA-OE2 2.87Å; K190-E192 PolarHBondContact O-N 3.05Å; K190-E192 VanDerWaalsContact O-N 3.09Å; K190-E193 HydrophobicContact CB-CB 4.29Å; K190-E193 HydrophobicContact CB-CG 4.04Å; K190-E193 HydrophobicContact CD-CG 4.16Å; K190-E193 WeakPolarHBondContact CD-OE1 3.44Å; K190-E193 IonicContact NZ-OE1 3.89Å; K190-E193 PolarHBondContact NZ-OE1 3.1Å; K190-E193 PolarHBondContact O-N 2.93Å
191P93.4Very high95.3Very high78 Ų7877.7 Ų77.751%0.50643%0.43SS..G310 helixtrans-54.5-30.4-178.2-26.935.8000113.8N187 E193 S194 Q224N187-P191 WeakPolarHBondContact O-CA 3.41Å; P191-E193 PolarHBondContact O-N 2.95Å; P191-S194 WeakPolarHBondContact O-CB 3.25Å; P191-S194 PolarHBondContact O-N 2.95Å; P191-S194 PolarHBondContact O-OG 3.33Å; P191-S194 VanDerWaalsContact O-OG 3.1Å; P191-Q224 PolarHBondContact O-NE2 2.88Å
192E93.3Very high95.2Very high78 Ų7876.3 Ų76.336%0.36444%0.435SS..G310 helixtrans-63.7-24.2177.270.5-78.4-173.100113.9K190 S194 Q224K190-E192 VanDerWaalsContact C-OE2 3.25Å; K190-E192 WeakPolarHBondContact CA-OE2 2.87Å; K190-E192 PolarHBondContact O-N 3.05Å; K190-E192 VanDerWaalsContact O-N 3.09Å; E192-S194 VanDerWaalsContact C-N 3.32Å; E192-Q224 HydrophobicContact CB-CG 4.36Å; E192-Q224 WeakPolarHBondContact O-CG 3.49Å; E192-Q224 PolarHBondContact O-NE2 3.19Å
193E95.3Very high95.2Very high90 Ų9075.6 Ų75.642%0.42143%0.431SS..G310 helixtrans-84.4-5.4175.7-65.6-176.4-177.500112.8N187 K190 P191N187-E193 PolarHBondContact ND2-OE2 3.06Å; K190-E193 HydrophobicContact CB-CB 4.29Å; K190-E193 HydrophobicContact CB-CG 4.04Å; K190-E193 HydrophobicContact CD-CG 4.16Å; K190-E193 WeakPolarHBondContact CD-OE1 3.44Å; K190-E193 IonicContact NZ-OE1 3.89Å; K190-E193 PolarHBondContact NZ-OE1 3.1Å; K190-E193 PolarHBondContact O-N 2.93Å; P191-E193 PolarHBondContact O-N 2.95Å
194S96.6Very high95.3Very high21 Ų2175.3 Ų75.315%0.14743%0.43CS..  trans-75.2154.3-177.5-57.30000112.8S185 N187 P191 E192S185-S194 WeakPolarHBondContact O-CB 3.18Å; N187-S194 PolarHBondContact N-OG 2.6Å; P191-S194 WeakPolarHBondContact O-CB 3.25Å; P191-S194 PolarHBondContact O-N 2.95Å; P191-S194 PolarHBondContact O-OG 3.33Å; P191-S194 VanDerWaalsContact O-OG 3.1Å; E192-S194 VanDerWaalsContact C-N 3.32Å
195V97.8Very high95.3Very high11 Ų1169.9 Ų69.97%0.06741%0.405CS..BIsolated β-bridgetrans-116.7116.9171.7179.40000109.2R138 M139 L182 Q184 S185 I197R138-V195 CarbonylContact O-C 3.58Å; R138-V195 VanDerWaalsContact O-CA 3.3Å; R138-V195 WeakPolarHBondContact O-CA 2.92Å; M139-V195 HydrophobicContact CB-CG2 4.22Å; L182-V195 HydrophobicContact CB-CG1 4.35Å; Q184-V195 WeakPolarHBondContact CA-O 3.35Å; S185-V195 PolarHBondContact N-O 3.26Å; S185-V195 PolarHBondContact O-N 2.88Å; S185-V195 VanDerWaalsContact O-O 3.06Å; S185-V195 PolarHBondContact OG-N 3.33Å; S185-V195 VanDerWaalsContact OG-N 3.11Å; V195-I197 HydrophobicContact CG1-CD1 4.25Å; V195-I197 HydrophobicContact CG1-CG1 4.05Å
196S97.3Very high95.4Very high40 Ų4071.8 Ų71.828%0.2841%0.414SS..EExtended strand (participates in β ladder)trans-105.7136.9172-168.40000109.9I137 R138I137-S196 CarbonylContact C-O 3.54Å; I137-S196 WeakPolarHBondContact CA-O 3.35Å; R138-S196 PolarHBondContact N-O 3.13Å; R138-S196 PolarHBondContact O-N 3.06Å
197I97.5Very high95.6Very high21 Ų2169.2 Ų69.211%0.10838%0.383CS..EExtended strand (participates in β ladder)trans-133111.1178.5-55174.7000107.3I137 V162 V167 V195I137-I197 HydrophobicContact CG1-CG2 4.47Å; I137-I197 HydrophobicContact CG2-CG1 4.28Å; V162-I197 HydrophobicContact CG1-CG2 3.87Å; V167-I197 HydrophobicContact CB-CD1 4.4Å; V167-I197 HydrophobicContact CG1-CD1 4.02Å; V195-I197 HydrophobicContact CG1-CD1 4.25Å; V195-I197 HydrophobicContact CG1-CG1 4.05Å
198E96.7Very high95.8Very high104 Ų10468.9 Ų68.949%0.48639%0.385SS..EExtended strand (participates in β ladder)trans-101.3118170.8-65.5171.2-146.800107.3C135 I136C135-E198 CarbonylContact C-O 3.52Å; C135-E198 VanDerWaalsContact CA-O 3.28Å; C135-E198 WeakPolarHBondContact CA-O 3.37Å; I136-E198 HydrophobicContact CB-CB 4.29Å; I136-E198 PolarHBondContact N-O 3.27Å; I136-E198 PolarHBondContact O-N 2.94Å
199M96.1Very high96.1Very high59 Ų5964.2 Ų64.229%0.29135%0.347SS..EExtended strand (participates in β ladder)trans-131.4113.8-176.1-176-167.272.400110V162 A163 K164 E201V162-M199 HydrophobicContact CG1-CB 4.26Å; V162-M199 HydrophobicContact CG1-CG 4.08Å; V162-M199 HydrophobicContact CG1-SD 4.1Å; A163-M199 VanDerWaalsContact CA-SD 3.52Å; K164-M199 HydrophobicContact CB-CE 4.38Å; K164-M199 HydrophobicContact CG-CE 3.69Å; M199-E201 WeakPolarHBondContact CG-O 3.35Å
200H95.6Very high96.2Very high142 Ų14262.8 Ų62.866%0.65734%0.335SS*.SBendtrans-88.7-39.9171.3-66-70.4000111.7K134K134-H200 PolarHBondContact O-N 2.97Å
201E95.5Very high96.4Very high117 Ų11760.4 Ų60.455%0.54732%0.324SS..SBendtrans-139.7145.5179-172.2171179.300109K134 C135 M199K134-E201 HydrophobicContact CB-CB 4.08Å; K134-E201 HydrophobicContact CG-CB 4.27Å; C135-E201 PolarHBondContact SG-O 3.25Å; M199-E201 WeakPolarHBondContact CG-O 3.35Å
202A96.8Very high96.6Very high60 Ų6057 Ų5750%0.49630%0.301SS..  trans-68.1138175.800000109.5V162V162-A202 WeakPolarHBondContact O-CA 3.43Å
203V96.9Very high96.8Very high6 Ų655.4 Ų55.44%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-132.9140.8-1781770000109K134 S161 V162 M205 E231K134-V203 HydrophobicContact CB-CG2 4.02Å; S161-V203 CarbonylContact C-O 3.53Å; S161-V203 VanDerWaalsContact CA-O 3.31Å; S161-V203 WeakPolarHBondContact CA-O 3.41Å; V162-V203 PolarHBondContact N-O 3.37Å; V162-V203 PolarHBondContact O-N 3.02Å; V203-M205 HydrophobicContact CG1-CE 3.57Å; V203-M205 HydrophobicContact CG1-CG 3.74Å; V203-M205 HydrophobicContact CG1-SD 3.96Å; V203-E231 HydrophobicContact CG1-CG 4.24Å
204S97.2Very high96.8Very high66 Ų6651.7 Ų51.746%0.46228%0.278SS..EExtended strand (participates in β ladder)trans-138.6111.8173.2-173.20000110.5I160 S161I160-S204 WeakPolarHBondContact O-CA 3.27Å; S161-S204 PolarHBondContact OG-OG 2.83Å
205M96.8Very high96.8Very high23 Ų2351.9 Ų51.911%0.11328%0.276CS..EExtended strand (participates in β ladder)trans-131.5148.3-174.1-66.2-174.4-65.400111.9V159 I160 V203 Y207 L229V159-M205 CarbonylContact C-O 3.47Å; V159-M205 WeakPolarHBondContact CA-O 3.31Å; I160-M205 PolarHBondContact N-O 2.83Å; I160-M205 PolarHBondContact O-N 3.45Å; V203-M205 HydrophobicContact CG1-CE 3.57Å; V203-M205 HydrophobicContact CG1-CG 3.74Å; V203-M205 HydrophobicContact CG1-SD 3.96Å; M205-Y207 HydrophobicContact CB-CE2 3.65Å; M205-Y207 HydrophobicContact CE-CE2 4.23Å; M205-Y207 WeakPolarHBondContact CE-OH 3.49Å; M205-Y207 PolarHBondContact SD-OH 3.14Å; M205-L229 HydrophobicContact CE-CB 3.44Å; M205-L229 VanDerWaalsContact CE-CB 3.44Å; M205-L229 HydrophobicContact CE-CD1 4.4Å; M205-L229 HydrophobicContact CE-CD2 3.52Å; M205-L229 HydrophobicContact CE-CG 3.93Å
206T97.4Very high96.8Very high94 Ų9452 Ų5258%0.57728%0.277SS*.EExtended strand (participates in β ladder)trans-106.2131.2179.8-55.40000110.1V158 V159V158-T206 CarbonylContact O-C 3.59Å; V158-T206 WeakPolarHBondContact O-CA 3.35Å; V159-T206 HydrophobicContact CG2-CG2 4.49Å
207Y97.2Very high96.7Very high46 Ų4653.8 Ų53.818%0.1828%0.279CS..EExtended strand (participates in β ladder)trans-128.2154.9176.7-61.6-77.1000111.3S157 V158 I160 M205 F212 L229 A235S157-Y207 CarbonylContact C-O 3.58Å; S157-Y207 WeakPolarHBondContact CA-O 3.38Å; S157-Y207 WeakPolarHBondContact CB-O 3.48Å; V158-Y207 PolarHBondContact N-O 2.91Å; V158-Y207 PolarHBondContact O-N 2.83Å; I160-Y207 HydrophobicContact CD1-CD2 3.73Å; I160-Y207 HydrophobicContact CD1-CE2 4.08Å; I160-Y207 HydrophobicContact CG1-CD2 4.13Å; M205-Y207 HydrophobicContact CB-CE2 3.65Å; M205-Y207 HydrophobicContact CE-CE2 4.23Å; M205-Y207 WeakPolarHBondContact CE-OH 3.49Å; M205-Y207 PolarHBondContact SD-OH 3.14Å; Y207-F212 HydrophobicContact CD1-CE2 4.05Å; Y207-F212 AromaticContact CD2-CE2 4Å; Y207-F212 HydrophobicContact CD2-CE2 4Å; Y207-F212 AromaticContact CD2-CZ 3.93Å; Y207-F212 HydrophobicContact CD2-CZ 3.93Å; Y207-F212 AromaticContact CG-CE2 3.52Å; Y207-F212 HydrophobicContact CG-CE2 3.52Å; Y207-F212 AromaticContact CG-CZ 3.95Å; Y207-F212 HydrophobicContact CG-CZ 3.95Å; Y207-L229 HydrophobicContact CE2-CD2 4.15Å; Y207-A235 HydrophobicContact CE1-CB 3.86Å; Y207-A235 HydrophobicContact CE2-CB 4.4Å; Y207-A235 WeakPolarHBondContact OH-CB 3.46Å
208S97.1Very high96.7Very high46 Ų4654.6 Ų54.632%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-75.2128.2170.3166.70000110.4H210 Y211 F212S208-H210 PolarHBondContact O-N 3.39Å; S208-H210 WeakPolarHBondContact OG-CB 3.4Å; S208-H210 PolarHBondContact OG-N 3.23Å; S208-Y211 PolarHBondContact O-N 3.44Å; S208-F212 PolarHBondContact O-N 2.95Å
209L97.5Very high96.8Very high1 Ų150.9 Ų50.91%0.00527%0.274CS..Hα-helixtrans-68.5-22.3176.4-83.8164.2000112.4C148 L151 S152 G155 D156 S157 V158 Y211 F212 N213C148-L209 HydrophobicContact CB-CD2 4.27Å; L151-L209 HydrophobicContact CB-CD1 3.88Å; L151-L209 HydrophobicContact CB-CD2 4.28Å; S152-L209 WeakPolarHBondContact OG-CB 3.39Å; G155-L209 VanDerWaalsContact O-CD1 3.22Å; G155-L209 WeakPolarHBondContact O-CD1 3.5Å; D156-L209 PolarHBondContact O-N 2.74Å; S157-L209 WeakPolarHBondContact O-CD1 3.03Å; V158-L209 HydrophobicContact CB-CD1 4.2Å; V158-L209 HydrophobicContact CB-CD2 3.8Å; V158-L209 HydrophobicContact CB-CG 3.8Å; V158-L209 HydrophobicContact CG1-CD2 3.86Å; V158-L209 HydrophobicContact CG1-CG 3.98Å; L209-Y211 PolarHBondContact O-N 2.9Å; L209-F212 PolarHBondContact O-N 2.85Å; L209-N213 WeakPolarHBondContact O-CB 3.21Å; L209-N213 PolarHBondContact O-N 3.41Å; L209-N213 PolarHBondContact O-ND2 3.49Å
210H96.3Very high96.8Very high122 Ų12251.6 Ų51.657%0.56528%0.283SS*.Hα-helixtrans-55.8-52.4174.2176.469.7000110.9S208 N213 I214S208-H210 PolarHBondContact O-N 3.39Å; S208-H210 WeakPolarHBondContact OG-CB 3.4Å; S208-H210 PolarHBondContact OG-N 3.23Å; H210-N213 PolarHBondContact O-N 3.43Å; H210-I214 PolarHBondContact O-N 3.44Å
211Y96.6Very high96.9Very high44 Ų4448.6 Ų48.617%0.17327%0.271CS..Hα-helixtrans-65.2-45.9178.5-71.4-72.4000111.7L22 D41 V45 S208 L209 N213 I214 F215L22-Y211 HydrophobicContact CD1-CD1 4.31Å; D41-Y211 PolarHBondContact OD2-OH 3.04Å; V45-Y211 HydrophobicContact CB-CE1 4.38Å; V45-Y211 HydrophobicContact CB-CE2 4.1Å; V45-Y211 HydrophobicContact CG1-CD2 4.3Å; V45-Y211 HydrophobicContact CG1-CE2 3.72Å; S208-Y211 PolarHBondContact O-N 3.44Å; L209-Y211 PolarHBondContact O-N 2.9Å; Y211-N213 VanDerWaalsContact C-N 3.27Å; Y211-N213 PolarHBondContact O-N 3.38Å; Y211-I214 WeakPolarHBondContact O-CA 3.36Å; Y211-I214 WeakPolarHBondContact O-CB 3.42Å; Y211-I214 PolarHBondContact O-N 3.39Å; Y211-F215 HydrophobicContact CD1-CZ 4.1Å; Y211-F215 HydrophobicContact CG-CE2 4.42Å; Y211-F215 HydrophobicContact CG-CZ 4.26Å; Y211-F215 WeakPolarHBondContact O-CD2 3.36Å; Y211-F215 VanDerWaalsContact O-CE2 3.25Å; Y211-F215 WeakPolarHBondContact O-CE2 3.37Å; Y211-F215 VanDerWaalsContact O-CG 3.23Å; Y211-F215 WeakPolarHBondContact O-CG 2.96Å; Y211-F215 PolarHBondContact O-N 2.59Å
212F96.7Very high97Very high5 Ų545.5 Ų45.52%0.02226%0.262CS..Hα-helixtrans-56.3-38.1176.9-89.2-112.2000113.4C148 I160 Y207 S208 L209 I214 F215 T216 W237C148-F212 HydrophobicContact CB-CB 4.41Å; I160-F212 HydrophobicContact CD1-CE1 3.65Å; I160-F212 HydrophobicContact CD1-CZ 3.6Å; Y207-F212 HydrophobicContact CD1-CE2 4.05Å; Y207-F212 AromaticContact CD2-CE2 4Å; Y207-F212 HydrophobicContact CD2-CE2 4Å; Y207-F212 AromaticContact CD2-CZ 3.93Å; Y207-F212 HydrophobicContact CD2-CZ 3.93Å; Y207-F212 AromaticContact CG-CE2 3.52Å; Y207-F212 HydrophobicContact CG-CE2 3.52Å; Y207-F212 AromaticContact CG-CZ 3.95Å; Y207-F212 HydrophobicContact CG-CZ 3.95Å; S208-F212 PolarHBondContact O-N 2.95Å; L209-F212 PolarHBondContact O-N 2.85Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 2.81Å; F212-F215 PolarHBondContact O-N 2.99Å; F212-T216 WeakPolarHBondContact O-CG2 3.29Å; F212-T216 PolarHBondContact O-N 2.81Å; F212-T216 PolarHBondContact O-OG1 2.86Å; F212-T216 VanDerWaalsContact O-OG1 3.08Å; F212-W237 HydrophobicContact CD1-CZ3 4.39Å; F212-W237 HydrophobicContact CD2-CZ3 4.06Å; F212-W237 HydrophobicContact CE1-CE3 4.28Å; F212-W237 HydrophobicContact CE1-CZ3 4.03Å; F212-W237 HydrophobicContact CE2-CH2 4.38Å; F212-W237 AromaticContact CE2-CZ3 3.63Å; F212-W237 HydrophobicContact CE2-CZ3 3.63Å; F212-W237 HydrophobicContact CG-CZ3 4.42Å; F212-W237 HydrophobicContact CZ-CE3 4.25Å; F212-W237 AromaticContact CZ-CZ3 3.64Å; F212-W237 HydrophobicContact CZ-CZ3 3.64Å
213N97.2Very high97Very high46 Ų4646.3 Ų46.325%0.24627%0.265CS..Hα-helixtrans-68.2-30.2173.5-76.2-53.3000113.4R149 S152 L209 H210 Y211 T216R149-N213 PolarHBondContact N-OD1 2.88Å; S152-N213 PolarHBondContact OG-ND2 3.3Å; L209-N213 WeakPolarHBondContact O-CB 3.21Å; L209-N213 PolarHBondContact O-N 3.41Å; L209-N213 PolarHBondContact O-ND2 3.49Å; H210-N213 PolarHBondContact O-N 3.43Å; Y211-N213 VanDerWaalsContact C-N 3.27Å; Y211-N213 PolarHBondContact O-N 3.38Å; N213-T216 WeakPolarHBondContact CA-OG1 3.23Å; N213-T216 PolarHBondContact O-OG1 2.81Å; N213-T216 VanDerWaalsContact O-OG1 3.14Å
214I96.3Very high97Very high12 Ų1247.8 Ų47.86%0.06227%0.271CS..Hα-helixtrans-68.3-48.9172-64.2167.4000109.5D21 L22 H210 Y211 F212 T216 K217D21-I214 HydrophobicContact CB-CG2 4.31Å; L22-I214 HydrophobicContact CB-CG2 4.03Å; L22-I214 HydrophobicContact CD1-CG2 4.06Å; H210-I214 PolarHBondContact O-N 3.44Å; Y211-I214 WeakPolarHBondContact O-CA 3.36Å; Y211-I214 WeakPolarHBondContact O-CB 3.42Å; Y211-I214 PolarHBondContact O-N 3.39Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 2.81Å; I214-T216 VanDerWaalsContact C-N 3.33Å; I214-T216 PolarHBondContact O-N 3.14Å; I214-K217 WeakPolarHBondContact O-CB 3.27Å; I214-K217 VanDerWaalsContact O-CG 3.26Å; I214-K217 WeakPolarHBondContact O-CG 3.44Å; I214-K217 PolarHBondContact O-N 2.9Å
215F96.5Very high97.1Very high25 Ų2545.4 Ų45.411%0.1125%0.254CS..Hα-helixtrans-64.8-36-176.4-49.6-47.3000113.3L22 Y211 F212 K217 A218 W237L22-F215 HydrophobicContact CD1-CE1 3.73Å; L22-F215 HydrophobicContact CD1-CZ 4.4Å; L22-F215 HydrophobicContact CD2-CD1 4.42Å; L22-F215 HydrophobicContact CD2-CE1 3.83Å; L22-F215 HydrophobicContact CG-CE1 4.44Å; Y211-F215 HydrophobicContact CD1-CZ 4.1Å; Y211-F215 HydrophobicContact CG-CE2 4.42Å; Y211-F215 HydrophobicContact CG-CZ 4.26Å; Y211-F215 WeakPolarHBondContact O-CD2 3.36Å; Y211-F215 VanDerWaalsContact O-CE2 3.25Å; Y211-F215 WeakPolarHBondContact O-CE2 3.37Å; Y211-F215 VanDerWaalsContact O-CG 3.23Å; Y211-F215 WeakPolarHBondContact O-CG 2.96Å; Y211-F215 PolarHBondContact O-N 2.59Å; F212-F215 PolarHBondContact O-N 2.99Å; F215-K217 PolarHBondContact O-N 3.43Å; F215-A218 WeakPolarHBondContact O-CB 3.31Å; F215-A218 PolarHBondContact O-N 3.35Å; F215-W237 HydrophobicContact CB-CD2 4.15Å; F215-W237 HydrophobicContact CB-CH2 4.43Å; F215-W237 HydrophobicContact CB-CZ2 3.86Å; F215-W237 AromaticContact CD1-CE2 3.94Å; F215-W237 HydrophobicContact CD1-CH2 4.3Å; F215-W237 AromaticContact CD1-CZ2 3.5Å; F215-W237 HydrophobicContact CD1-CZ2 3.5Å; F215-W237 HydrophobicContact CD2-CD2 4.18Å; F215-W237 AromaticContact CD2-CE2 3.54Å; F215-W237 HydrophobicContact CD2-CE3 4.04Å; F215-W237 AromaticContact CD2-CH2 2.83Å; F215-W237 HydrophobicContact CD2-CH2 2.83Å; F215-W237 AromaticContact CD2-CZ2 2.86Å; F215-W237 HydrophobicContact CD2-CZ2 2.86Å; F215-W237 AromaticContact CD2-CZ3 3.37Å; F215-W237 HydrophobicContact CD2-CZ3 3.37Å; F215-W237 HydrophobicContact CE1-CH2 4.27Å; F215-W237 AromaticContact CE1-CZ2 3.63Å; F215-W237 HydrophobicContact CE1-CZ2 3.63Å; F215-W237 AromaticContact CE2-CH2 2.79Å; F215-W237 HydrophobicContact CE2-CH2 2.79Å; F215-W237 AromaticContact CE2-CZ2 3.02Å; F215-W237 HydrophobicContact CE2-CZ2 3.02Å; F215-W237 AromaticContact CE2-CZ3 3.69Å; F215-W237 HydrophobicContact CE2-CZ3 3.69Å; F215-W237 HydrophobicContact CG-CD2 4.27Å; F215-W237 AromaticContact CG-CE2 3.42Å; F215-W237 VanDerWaalsContact CG-CE2 3.42Å; F215-W237 AromaticContact CG-CH2 3.64Å; F215-W237 HydrophobicContact CG-CH2 3.64Å; F215-W237 AromaticContact CG-CZ2 3.11Å; F215-W237 HydrophobicContact CG-CZ2 3.11Å; F215-W237 HydrophobicContact CG-CZ3 4.23Å; F215-W237 AromaticContact CG-NE1 3.9Å; F215-W237 AromaticContact CZ-CH2 3.58Å; F215-W237 HydrophobicContact CZ-CH2 3.58Å; F215-W237 AromaticContact CZ-CZ2 3.39Å; F215-W237 HydrophobicContact CZ-CZ2 3.39Å
216T97.3Very high97.1Very high12 Ų1244.4 Ų44.47%0.07425%0.249CC..G310 helixtrans-66.2-5176.456.40000113.4L144 Q145 C148 F212 N213 I214 A218 T219L144-T216 HydrophobicContact CG-CG2 4.32Å; Q145-T216 HydrophobicContact CB-CG2 4.16Å; Q145-T216 PolarHBondContact NE2-O 2.84Å; Q145-T216 VanDerWaalsContact NE2-O 3.12Å; C148-T216 HydrophobicContact CB-CG2 4.39Å; F212-T216 WeakPolarHBondContact O-CG2 3.29Å; F212-T216 PolarHBondContact O-N 2.81Å; F212-T216 PolarHBondContact O-OG1 2.86Å; F212-T216 VanDerWaalsContact O-OG1 3.08Å; N213-T216 WeakPolarHBondContact CA-OG1 3.23Å; N213-T216 PolarHBondContact O-OG1 2.81Å; N213-T216 VanDerWaalsContact O-OG1 3.14Å; I214-T216 VanDerWaalsContact C-N 3.33Å; I214-T216 PolarHBondContact O-N 3.14Å; T216-A218 PolarHBondContact O-N 3.44Å; T216-T219 VanDerWaalsContact O-CB 3.25Å; T216-T219 WeakPolarHBondContact O-CB 3.38Å; T216-T219 PolarHBondContact O-N 2.78Å; T216-T219 VanDerWaalsContact O-N 3.11Å; T216-T219 PolarHBondContact O-OG1 3Å
217K96.8Very high97.2Very high78 Ų7840 Ų4034%0.33922%0.222SC..G310 helixtrans-65-18.4164.9-64.6173.6-177170.10112.7D21 I214 F215 T219 P220D21-K217 VanDerWaalsContact CG-NZ 3.25Å; D21-K217 WeakPolarHBondContact OD2-CD 3.42Å; D21-K217 WeakPolarHBondContact OD2-CE 3.42Å; D21-K217 IonicContact OD2-NZ 2.71Å; D21-K217 PolarHBondContact OD2-NZ 3.41Å; I214-K217 WeakPolarHBondContact O-CB 3.27Å; I214-K217 VanDerWaalsContact O-CG 3.26Å; I214-K217 WeakPolarHBondContact O-CG 3.44Å; I214-K217 PolarHBondContact O-N 2.9Å; F215-K217 PolarHBondContact O-N 3.43Å; K217-T219 VanDerWaalsContact C-N 3.25Å; K217-T219 PolarHBondContact O-N 2.86Å; K217-P220 WeakPolarHBondContact O-CD 3.36Å
218A97.4Very high97.2Very high38 Ų3838 Ų3831%0.31421%0.214SC..G310 helixtrans-73.4-9.7170.900000114A18 F215 T216 P220 L221A18-A218 HydrophobicContact CB-CB 3.93Å; F215-A218 WeakPolarHBondContact O-CB 3.31Å; F215-A218 PolarHBondContact O-N 3.35Å; T216-A218 PolarHBondContact O-N 3.44Å; A218-P220 VanDerWaalsContact C-N 3.26Å; A218-L221 HydrophobicContact CB-CD1 4.09Å; A218-L221 VanDerWaalsContact O-CB 3.25Å; A218-L221 WeakPolarHBondContact O-CB 3.3Å; A218-L221 PolarHBondContact O-N 3.44Å
219T98Very high97.2Very high26 Ų2635.8 Ų35.816%0.1620%0.199CC..G310 helixtrans-46.1-38.9-179.3-62.70000114.6T216 K217 L221 S222T216-T219 VanDerWaalsContact O-CB 3.25Å; T216-T219 WeakPolarHBondContact O-CB 3.38Å; T216-T219 PolarHBondContact O-N 2.78Å; T216-T219 VanDerWaalsContact O-N 3.11Å; T216-T219 PolarHBondContact O-OG1 3Å; K217-T219 VanDerWaalsContact C-N 3.25Å; K217-T219 PolarHBondContact O-N 2.86Å; T219-L221 PolarHBondContact O-N 3.45Å; T219-S222 PolarHBondContact O-N 3.45Å
220P97.1Very high97.1Very high74 Ų7436.5 Ų36.548%0.48120%0.204SC..G310 helixtrans-69.4-8.6178-21.135.5000115.9K14 K217 A218K14-P220 HydrophobicContact CD-CB 3.97Å; K14-P220 WeakPolarHBondContact CE-O 3.49Å; K14-P220 HydrophobicContact CG-CB 4.1Å; K14-P220 PolarHBondContact NZ-O 2.89Å; K217-P220 WeakPolarHBondContact O-CD 3.36Å; A218-P220 VanDerWaalsContact C-N 3.26Å
221L96.2Very high97Very high79 Ų7935.7 Ų35.741%0.41420%0.2SC..G310 helixtrans-83.2-29.5179.1-67168.5000112.7K14 V15 A18 A218 T219K14-L221 HydrophobicContact CB-CD2 3.47Å; K14-L221 VanDerWaalsContact CB-CD2 3.47Å; K14-L221 HydrophobicContact CB-CG 4.08Å; K14-L221 HydrophobicContact CD-CD2 4.44Å; V15-L221 HydrophobicContact CG2-CD1 4.43Å; V15-L221 HydrophobicContact CG2-CD2 3.83Å; A18-L221 HydrophobicContact CB-CD1 4.18Å; A218-L221 HydrophobicContact CB-CD1 4.09Å; A218-L221 VanDerWaalsContact O-CB 3.25Å; A218-L221 WeakPolarHBondContact O-CB 3.3Å; A218-L221 PolarHBondContact O-N 3.44Å; T219-L221 PolarHBondContact O-N 3.45Å
222S97Very high96.7Very high52 Ų5241.4 Ų41.436%0.36423%0.234SC..  trans-150.3138.5-178178.70000111.3S141 T219 Q224S141-S222 VanDerWaalsContact CB-O 3.26Å; S141-S222 WeakPolarHBondContact CB-O 3.41Å; S141-S222 PolarHBondContact OG-O 2.94Å; T219-S222 PolarHBondContact O-N 3.45Å; S222-Q224 VanDerWaalsContact CB-O 3.32Å; S222-Q224 WeakPolarHBondContact CB-O 3.4Å; S222-Q224 PolarHBondContact O-N 2.77Å; S222-Q224 PolarHBondContact OG-N 2.97Å; S222-Q224 PolarHBondContact OG-O 2.91Å
223S97.3Very high96.5Very high78 Ų7843.3 Ų43.355%0.54525%0.245SC..SBendtrans-66.7-23.317555.90000113.1P140 S141P140-S223 WeakPolarHBondContact CA-O 3.46Å; S141-S223 PolarHBondContact N-O 2.92Å
224Q97.8Very high96.3Very high37 Ų3746 Ų4617%0.17327%0.265CS..EExtended strand (participates in β ladder)trans-124150.8177.2-67.3-170-43.600111.8R138 M139 S141 P191 E192 S222R138-Q224 HydrophobicContact CG-CB 4.46Å; M139-Q224 VanDerWaalsContact O-CA 3.32Å; M139-Q224 WeakPolarHBondContact O-CA 3.22Å; S141-Q224 WeakPolarHBondContact OG-CA 3.43Å; S141-Q224 PolarHBondContact OG-N 3.46Å; S141-Q224 PolarHBondContact OG-O 2.89Å; P191-Q224 PolarHBondContact O-NE2 2.88Å; E192-Q224 HydrophobicContact CB-CG 4.36Å; E192-Q224 WeakPolarHBondContact O-CG 3.49Å; E192-Q224 PolarHBondContact O-NE2 3.19Å; S222-Q224 VanDerWaalsContact CB-O 3.32Å; S222-Q224 WeakPolarHBondContact CB-O 3.4Å; S222-Q224 PolarHBondContact O-N 2.77Å; S222-Q224 PolarHBondContact OG-N 2.97Å; S222-Q224 PolarHBondContact OG-O 2.91Å
225V98.2Very high96.2Very high16 Ų1646.1 Ų46.110%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-122.9141.3173.161.60000108.5R138 M139 S141 L144 W237 Y238R138-V225 WeakPolarHBondContact CA-O 3.47Å; M139-V225 HydrophobicContact CG-CG1 3.79Å; M139-V225 PolarHBondContact N-O 2.78Å; M139-V225 PolarHBondContact O-N 3.26Å; S141-V225 PolarHBondContact OG-N 3.38Å; L144-V225 HydrophobicContact CB-CG1 4.01Å; L144-V225 HydrophobicContact CD2-CG1 3.69Å; L144-V225 HydrophobicContact CD2-CG2 4.16Å; V225-W237 HydrophobicContact CG2-CB 4.06Å; V225-Y238 CarbonylContact C-O 3.49Å; V225-Y238 WeakPolarHBondContact CA-O 3.4Å
226V98.2Very high96.2Very high2 Ų247.3 Ų47.31%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-102.8132.8168.8-175.70000108.4I136 I137 R138 W237 Y238I136-V226 HydrophobicContact CG2-CG1 3.56Å; I137-V226 CarbonylContact O-C 3.5Å; I137-V226 VanDerWaalsContact O-CA 3.29Å; I137-V226 WeakPolarHBondContact O-CA 3.37Å; R138-V226 HydrophobicContact CB-CG2 4.48Å; R138-V226 HydrophobicContact CG-CG2 4.35Å; R138-V226 VanDerWaalsContact CZ-CG2 3.42Å; V226-W237 WeakPolarHBondContact O-CA 3.34Å; V226-W237 WeakPolarHBondContact O-CB 3.13Å; V226-Y238 HydrophobicContact CB-CD1 4.36Å; V226-Y238 HydrophobicContact CB-CD2 4.15Å; V226-Y238 HydrophobicContact CB-CE1 3.97Å; V226-Y238 HydrophobicContact CB-CE2 3.75Å; V226-Y238 HydrophobicContact CB-CG 4.45Å; V226-Y238 HydrophobicContact CG1-CE1 3.95Å; V226-Y238 HydrophobicContact CG1-CE2 4.26Å; V226-Y238 HydrophobicContact CG2-CD2 4.21Å; V226-Y238 HydrophobicContact CG2-CE2 3.66Å; V226-Y238 PolarHBondContact N-O 3.2Å; V226-Y238 PolarHBondContact O-N 3.04Å
227L97.8Very high96Very high0 Ų050.4 Ų50.40%029%0.288CS..EExtended strand (participates in β ladder)trans-119.5117.3173.7-178.767.3000108.7I137 I160 F169 L229 A235 W237I137-L227 HydrophobicContact CB-CB 4.47Å; I137-L227 HydrophobicContact CD1-CD2 4.19Å; I137-L227 PolarHBondContact N-O 3.45Å; I137-L227 PolarHBondContact O-N 3.05Å; I160-L227 HydrophobicContact CD1-CD2 3.97Å; I160-L227 HydrophobicContact CG2-CD2 4.4Å; F169-L227 HydrophobicContact CE1-CD2 4.46Å; L227-L229 HydrophobicContact CD1-CD2 4.02Å; L227-L229 HydrophobicContact CD2-CD1 4.03Å; L227-L229 HydrophobicContact CD2-CD2 4.15Å; L227-L229 HydrophobicContact CD2-CG 4.28Å; L227-L229 HydrophobicContact CG-CD1 4.25Å; L227-L229 HydrophobicContact CG-CD2 3.85Å; L227-L229 HydrophobicContact CG-CG 3.97Å; L227-A235 HydrophobicContact CD1-CB 4.31Å; L227-W237 HydrophobicContact CD1-CB 4.39Å; L227-W237 HydrophobicContact CD1-CE3 4.12Å
228S97.9Very high95.8Very high4 Ų454.6 Ų54.63%0.02830%0.303CS..EExtended strand (participates in β ladder)trans-109.7128.1-178.1-48.70000110Y133 C135 A235 V236Y133-S228 VanDerWaalsContact CG-CB 3.48Å; C135-S228 CarbonylContact O-C 3.57Å; C135-S228 WeakPolarHBondContact O-CA 3.22Å; S228-A235 WeakPolarHBondContact O-CA 3.3Å; S228-V236 PolarHBondContact N-O 3.18Å; S228-V236 PolarHBondContact O-N 2.98Å; S228-V236 VanDerWaalsContact O-N 3.13Å
229L97.6Very high95.7Very high0 Ų055.5 Ų55.50%030%0.302CS..EExtended strand (participates in β ladder)trans-135.6133.3-164.5-63.7179.3000111.4K134 C135 I137 I160 V162 M205 Y207 L227 A235K134-L229 PolarHBondContact N-O 2.87Å; C135-L229 HydrophobicContact CB-CB 4.13Å; C135-L229 PolarHBondContact N-O 2.8Å; C135-L229 PolarHBondContact O-N 2.85Å; I137-L229 HydrophobicContact CD1-CD1 3.79Å; I160-L229 HydrophobicContact CB-CD1 4.49Å; I160-L229 HydrophobicContact CG2-CD1 3.73Å; V162-L229 HydrophobicContact CG2-CD1 3.95Å; M205-L229 HydrophobicContact CE-CB 3.44Å; M205-L229 VanDerWaalsContact CE-CB 3.44Å; M205-L229 HydrophobicContact CE-CD1 4.4Å; M205-L229 HydrophobicContact CE-CD2 3.52Å; M205-L229 HydrophobicContact CE-CG 3.93Å; Y207-L229 HydrophobicContact CE2-CD2 4.15Å; L227-L229 HydrophobicContact CD1-CD2 4.02Å; L227-L229 HydrophobicContact CD2-CD1 4.03Å; L227-L229 HydrophobicContact CD2-CD2 4.15Å; L227-L229 HydrophobicContact CD2-CG 4.28Å; L227-L229 HydrophobicContact CG-CD1 4.25Å; L227-L229 HydrophobicContact CG-CD2 3.85Å; L227-L229 HydrophobicContact CG-CG 3.97Å; L229-A235 HydrophobicContact CD2-CB 3.69Å
230T96Very high95.6Very high16 Ų1657 Ų5710%0.09831%0.31CS..  trans-157.9140.1173.5-68.40000109.4Y133 K134 V233Y133-T230 WeakPolarHBondContact CA-OG1 3.46Å; K134-T230 HydrophobicContact CG-CG2 3.95Å; K134-T230 PolarHBondContact N-OG1 3.47Å; T230-V233 HydrophobicContact CG2-CG2 4.46Å; T230-V233 PolarHBondContact O-N 3.47Å
231E93.9Very high95.5Very high105 Ų10556.1 Ų56.149%0.49130%0.301SS..THydrogen-bonded Turntrans-58.3145.1178.8-62.1-169.4168.300111.8V203 V233V203-E231 HydrophobicContact CG1-CG 4.24Å; E231-V233 PolarHBondContact O-N 2.99Å; E231-V233 VanDerWaalsContact O-N 3.13Å
232N89.4Confident95.5Very high164 Ų16454.7 Ų54.788%0.87729%0.294SS*.THydrogen-bonded Turntrans63.19.9179.2-48.1-62.1000115.7
233V92.5Very high95.4Very high45 Ų4554.9 Ų54.927%0.27329%0.289SS..SBendtrans-124.9142.4172.6-173.60000109.1T131 Y133 T230 E231T131-V233 HydrophobicContact CG2-CB 4.41Å; T131-V233 HydrophobicContact CG2-CG1 3.86Å; T131-V233 HydrophobicContact CG2-CG2 4.23Å; Y133-V233 HydrophobicContact CE1-CG1 4.39Å; T230-V233 HydrophobicContact CG2-CG2 4.46Å; T230-V233 PolarHBondContact O-N 3.47Å; E231-V233 PolarHBondContact O-N 2.99Å; E231-V233 VanDerWaalsContact O-N 3.13Å
234P93.3Very high95.2Very high102 Ų10253.3 Ų53.366%0.66227%0.272SS*.  trans-54141.8172.2-2735.9000112.3Y133Y133-P234 PolarHBondContact OH-O 2.72Å
235A95.1Very high95Very high16 Ų1654.5 Ų54.513%0.13228%0.28CS..  trans-62.7143.6168.400000109.8Y207 L227 S228 L229Y207-A235 HydrophobicContact CE1-CB 3.86Å; Y207-A235 HydrophobicContact CE2-CB 4.4Å; Y207-A235 WeakPolarHBondContact OH-CB 3.46Å; L227-A235 HydrophobicContact CD1-CB 4.31Å; S228-A235 WeakPolarHBondContact O-CA 3.3Å; L229-A235 HydrophobicContact CD2-CB 3.69Å
236V95.7Very high94.8Very high49 Ų4957.5 Ų57.530%0.29729%0.294SS..EExtended strand (participates in β ladder)trans-117.1133.8171.4167.20000109Y133 S228 Y238Y133-V236 HydrophobicContact CE2-CB 4.45Å; Y133-V236 HydrophobicContact CE2-CG2 4.45Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.07Å; S228-V236 PolarHBondContact N-O 3.18Å; S228-V236 PolarHBondContact O-N 2.98Å; S228-V236 VanDerWaalsContact O-N 3.13Å; V236-Y238 HydrophobicContact CG1-CD1 4.03Å; V236-Y238 HydrophobicContact CG1-CE1 4.46Å
237W93.3Very high94.5Very high78 Ų7862.1 Ų62.130%0.29532%0.317SS..EExtended strand (participates in β ladder)trans-124.3153.6165.356.754.7000112F212 F215 V225 V226 L227F212-W237 HydrophobicContact CD1-CZ3 4.39Å; F212-W237 HydrophobicContact CD2-CZ3 4.06Å; F212-W237 HydrophobicContact CE1-CE3 4.28Å; F212-W237 HydrophobicContact CE1-CZ3 4.03Å; F212-W237 HydrophobicContact CE2-CH2 4.38Å; F212-W237 AromaticContact CE2-CZ3 3.63Å; F212-W237 HydrophobicContact CE2-CZ3 3.63Å; F212-W237 HydrophobicContact CG-CZ3 4.42Å; F212-W237 HydrophobicContact CZ-CE3 4.25Å; F212-W237 AromaticContact CZ-CZ3 3.64Å; F212-W237 HydrophobicContact CZ-CZ3 3.64Å; F215-W237 HydrophobicContact CB-CD2 4.15Å; F215-W237 HydrophobicContact CB-CH2 4.43Å; F215-W237 HydrophobicContact CB-CZ2 3.86Å; F215-W237 AromaticContact CD1-CE2 3.94Å; F215-W237 HydrophobicContact CD1-CH2 4.3Å; F215-W237 AromaticContact CD1-CZ2 3.5Å; F215-W237 HydrophobicContact CD1-CZ2 3.5Å; F215-W237 HydrophobicContact CD2-CD2 4.18Å; F215-W237 AromaticContact CD2-CE2 3.54Å; F215-W237 HydrophobicContact CD2-CE3 4.04Å; F215-W237 AromaticContact CD2-CH2 2.83Å; F215-W237 HydrophobicContact CD2-CH2 2.83Å; F215-W237 AromaticContact CD2-CZ2 2.86Å; F215-W237 HydrophobicContact CD2-CZ2 2.86Å; F215-W237 AromaticContact CD2-CZ3 3.37Å; F215-W237 HydrophobicContact CD2-CZ3 3.37Å; F215-W237 HydrophobicContact CE1-CH2 4.27Å; F215-W237 AromaticContact CE1-CZ2 3.63Å; F215-W237 HydrophobicContact CE1-CZ2 3.63Å; F215-W237 AromaticContact CE2-CH2 2.79Å; F215-W237 HydrophobicContact CE2-CH2 2.79Å; F215-W237 AromaticContact CE2-CZ2 3.02Å; F215-W237 HydrophobicContact CE2-CZ2 3.02Å; F215-W237 AromaticContact CE2-CZ3 3.69Å; F215-W237 HydrophobicContact CE2-CZ3 3.69Å; F215-W237 HydrophobicContact CG-CD2 4.27Å; F215-W237 AromaticContact CG-CE2 3.42Å; F215-W237 VanDerWaalsContact CG-CE2 3.42Å; F215-W237 AromaticContact CG-CH2 3.64Å; F215-W237 HydrophobicContact CG-CH2 3.64Å; F215-W237 AromaticContact CG-CZ2 3.11Å; F215-W237 HydrophobicContact CG-CZ2 3.11Å; F215-W237 HydrophobicContact CG-CZ3 4.23Å; F215-W237 AromaticContact CG-NE1 3.9Å; F215-W237 AromaticContact CZ-CH2 3.58Å; F215-W237 HydrophobicContact CZ-CH2 3.58Å; F215-W237 AromaticContact CZ-CZ2 3.39Å; F215-W237 HydrophobicContact CZ-CZ2 3.39Å; V225-W237 HydrophobicContact CG2-CB 4.06Å; V226-W237 WeakPolarHBondContact O-CA 3.34Å; V226-W237 WeakPolarHBondContact O-CB 3.13Å; L227-W237 HydrophobicContact CD1-CB 4.39Å; L227-W237 HydrophobicContact CD1-CE3 4.12Å
238Y91.9Very high94.2Very high166 Ų16667.7 Ų67.765%0.65135%0.346SS*.  trans-160.30173.157.2-90.3000111.3V225 V226 V236V225-Y238 CarbonylContact C-O 3.49Å; V225-Y238 WeakPolarHBondContact CA-O 3.4Å; V226-Y238 HydrophobicContact CB-CD1 4.36Å; V226-Y238 HydrophobicContact CB-CD2 4.15Å; V226-Y238 HydrophobicContact CB-CE1 3.97Å; V226-Y238 HydrophobicContact CB-CE2 3.75Å; V226-Y238 HydrophobicContact CB-CG 4.45Å; V226-Y238 HydrophobicContact CG1-CE1 3.95Å; V226-Y238 HydrophobicContact CG1-CE2 4.26Å; V226-Y238 HydrophobicContact CG2-CD2 4.21Å; V226-Y238 HydrophobicContact CG2-CE2 3.66Å; V226-Y238 PolarHBondContact N-O 3.2Å; V226-Y238 PolarHBondContact O-N 3.04Å; V236-Y238 HydrophobicContact CG1-CD1 4.03Å; V236-Y238 HydrophobicContact CG1-CE1 4.46Å

Retrieved 238 of 238 residues in 172.8 ms (Link to these results)

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