A0A059V6Y7_HUMAN Loading...

Piwi-like RNA-mediated gene silencing 2

AlphaFold DB , UniProt , Accession A0A059V6Y7, Species HUMAN (Homo sapiens, Human), Gene PIWIL2, Length 204 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
1I87.2Confident95.2Very high92 Ų9233.3 Ų33.347%0.47216%0.164SC..  0129.60-62.3-65.2000108.7M34 N122 L125I1-M34 WeakPolarHBondContact O-CE 3.26Å; I1-M34 WeakPolarHBondContact O-CG 3.43Å; I1-N122 PolarHBondContact N-OD1 3.19Å; I1-L125 HydrophobicContact CB-CB 4.23Å; I1-L125 HydrophobicContact CG2-CB 3.96Å
2P91.6Very high95.2Very high52 Ų5242.3 Ų42.334%0.33820%0.202SC..  trans-72143.517931.1-35.4000111.9H4 R35P2-H4 WeakPolarHBondContact CB-NE2 3.35Å; P2-H4 WeakPolarHBondContact CG-NE2 3.41Å; P2-R35 CarbonylContact C-O 3.59Å; P2-R35 WeakPolarHBondContact CA-O 3.39Å; P2-R35 HydrophobicContact CB-CB 4.19Å
3M93.8Very high95.1Very high0 Ų051.2 Ų51.20%023%0.232CC..BIsolated β-bridgetrans-110.2100.5175.8-171.8167.672.100109.4W6 M34 R35 M36 S37 M68 I121 L125M3-W6 HydrophobicContact CE-CB 4.29Å; M3-W6 HydrophobicContact CE-CD2 3.34Å; M3-W6 HydrophobicContact CE-CE3 3.99Å; M3-W6 HydrophobicContact CE-CG 3.5Å; M3-W6 VanDerWaalsContact CE-CG 3.5Å; M3-W6 HydrophobicContact CE-CH2 4.37Å; M3-W6 HydrophobicContact CE-CZ2 3.82Å; M3-W6 HydrophobicContact CE-CZ3 4.46Å; M3-W6 HydrophobicContact CG-CB 3.92Å; M3-W6 HydrophobicContact CG-CG 3.8Å; M3-W6 HydrophobicContact SD-CB 3.74Å; M3-W6 HydrophobicContact SD-CD2 3.98Å; M3-W6 HydrophobicContact SD-CG 3.6Å; M3-M34 HydrophobicContact CB-CE 3.56Å; M3-R35 PolarHBondContact N-O 3Å; M3-M36 HydrophobicContact CB-CG 4.29Å; M3-M36 HydrophobicContact CE-CG 3.33Å; M3-M36 HydrophobicContact CE-SD 3.32Å; M3-M36 WeakPolarHBondContact CE-SD 3.47Å; M3-M36 WeakPolarHBondContact O-CA 3.39Å; M3-S37 PolarHBondContact O-N 3.28Å; M3-M68 HydrophobicContact SD-CB 4.13Å; M3-M68 HydrophobicContact SD-SD 4.23Å; M3-I121 HydrophobicContact CE-CG2 4.29Å; M3-I121 HydrophobicContact SD-CG2 3.78Å; M3-L125 HydrophobicContact CB-CD1 4.05Å; M3-L125 HydrophobicContact CG-CD1 4.2Å; M3-L125 HydrophobicContact SD-CD1 4.18Å
4H93.4Very high95.2Very high89 Ų8947.5 Ų47.541%0.41222%0.215SC..  trans-92.1-44.8-176.8-62.2-67.3000112.5P2 S37P2-H4 WeakPolarHBondContact CB-NE2 3.35Å; P2-H4 WeakPolarHBondContact CG-NE2 3.41Å; H4-S37 WeakPolarHBondContact O-CB 3.26Å
5F94.5Very high95.3Very high114 Ų11448.1 Ų48.150%0.522%0.22SC..SBendtrans-127.7109.8-175.3-59.2-72.6000109.5K65 Q67F5-K65 WeakPolarHBondContact CB-O 3.47Å; F5-K65 HydrophobicContact CD2-CB 4.35Å; F5-K65 HydrophobicContact CG-CB 4.5Å; F5-Q67 VanDerWaalsContact O-CB 3.31Å; F5-Q67 WeakPolarHBondContact O-CB 3.32Å; F5-Q67 PolarHBondContact O-N 3.49Å
6W96.8Very high95.3Very high4 Ų451.4 Ų51.42%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-148.8150.9177.267-68.3000109.6M3 L8 V22 L25 M36 S37 P39 A40 M68 V70M3-W6 HydrophobicContact CE-CB 4.29Å; M3-W6 HydrophobicContact CE-CD2 3.34Å; M3-W6 HydrophobicContact CE-CE3 3.99Å; M3-W6 HydrophobicContact CE-CG 3.5Å; M3-W6 VanDerWaalsContact CE-CG 3.5Å; M3-W6 HydrophobicContact CE-CH2 4.37Å; M3-W6 HydrophobicContact CE-CZ2 3.82Å; M3-W6 HydrophobicContact CE-CZ3 4.46Å; M3-W6 HydrophobicContact CG-CB 3.92Å; M3-W6 HydrophobicContact CG-CG 3.8Å; M3-W6 HydrophobicContact SD-CB 3.74Å; M3-W6 HydrophobicContact SD-CD2 3.98Å; M3-W6 HydrophobicContact SD-CG 3.6Å; W6-L8 HydrophobicContact CZ3-CB 4.14Å; W6-L8 HydrophobicContact CZ3-CD1 4.45Å; W6-V22 HydrophobicContact CH2-CG2 4.07Å; W6-L25 HydrophobicContact CH2-CD1 4.41Å; W6-M36 HydrophobicContact CZ2-CE 3.98Å; W6-M36 HydrophobicContact CZ2-CG 4.39Å; W6-M36 HydrophobicContact CZ2-SD 4.01Å; W6-S37 PolarHBondContact NE1-O 2.97Å; W6-P39 HydrophobicContact CD2-CB 3.72Å; W6-P39 VanDerWaalsContact CE2-CB 3.5Å; W6-P39 HydrophobicContact CE3-CB 3.88Å; W6-P39 HydrophobicContact CG-CB 4.43Å; W6-P39 HydrophobicContact CH2-CB 3.8Å; W6-P39 HydrophobicContact CH2-CG 3.81Å; W6-P39 HydrophobicContact CZ2-CB 3.58Å; W6-P39 HydrophobicContact CZ2-CG 3.63Å; W6-P39 HydrophobicContact CZ3-CB 3.92Å; W6-P39 HydrophobicContact CZ3-CG 4.35Å; W6-P39 CarbonylContact O-C 3.59Å; W6-P39 VanDerWaalsContact O-CA 3.31Å; W6-P39 WeakPolarHBondContact O-CA 3.35Å; W6-A40 PolarHBondContact O-N 3.43Å; W6-M68 VanDerWaalsContact CA-O 3.23Å; W6-M68 WeakPolarHBondContact CA-O 3.39Å; W6-M68 HydrophobicContact CB-CB 4.08Å; W6-M68 WeakPolarHBondContact CB-O 3.47Å; W6-V70 HydrophobicContact CE3-CB 4.09Å; W6-V70 HydrophobicContact CE3-CG2 3.52Å; W6-V70 HydrophobicContact CZ3-CB 3.88Å; W6-V70 HydrophobicContact CZ3-CG1 4.48Å; W6-V70 HydrophobicContact CZ3-CG2 3.56Å
7A97.8Very high95.4Very high0 Ų051.6 Ų51.60%024%0.241CC..EExtended strand (participates in β ladder)trans-114.9136.9-177.800000110.6F9 A40 V42 T59 I66 M68 V70A7-F9 HydrophobicContact CB-CD2 4.32Å; A7-F9 HydrophobicContact CB-CE2 3.51Å; A7-F9 HydrophobicContact CB-CZ 3.96Å; A7-A40 WeakPolarHBondContact CA-O 3.48Å; A7-A40 HydrophobicContact CB-CB 4.18Å; A7-V42 HydrophobicContact CB-CG2 4.45Å; A7-T59 HydrophobicContact CB-CG2 4.45Å; A7-I66 HydrophobicContact CB-CD1 4.16Å; A7-M68 PolarHBondContact N-O 3.38Å; A7-V70 PolarHBondContact O-N 2.94Å
8L98.4Very high95.5Very high0 Ų048.7 Ų48.70%023%0.227CC..EExtended strand (participates in β ladder)trans-109.3111.9175.5-179.664.6000109.5W6 Y10 A18 V22 P39 A40 W41 V42 V70 I72W6-L8 HydrophobicContact CZ3-CB 4.14Å; W6-L8 HydrophobicContact CZ3-CD1 4.45Å; L8-Y10 HydrophobicContact CG-CD1 4.27Å; L8-Y10 WeakPolarHBondContact O-CD1 3.28Å; L8-A18 HydrophobicContact CD2-CB 4.11Å; L8-V22 HydrophobicContact CD2-CG2 3.44Å; L8-V22 VanDerWaalsContact CD2-CG2 3.44Å; L8-P39 HydrophobicContact CB-CB 3.9Å; L8-P39 HydrophobicContact CB-CG 4.19Å; L8-A40 PolarHBondContact N-O 3.04Å; L8-W41 HydrophobicContact CD2-CE3 4.09Å; L8-W41 HydrophobicContact CD2-CH2 4.01Å; L8-W41 HydrophobicContact CD2-CZ3 3.65Å; L8-V42 PolarHBondContact O-N 2.88Å; L8-V70 CarbonylContact C-O 3.55Å; L8-V70 WeakPolarHBondContact CA-O 3.31Å; L8-V70 HydrophobicContact CD1-CB 3.81Å; L8-V70 HydrophobicContact CD1-CG1 3.6Å; L8-I72 HydrophobicContact CD1-CD1 4.14Å; L8-I72 HydrophobicContact CD1-CG1 4.11Å
9F98.4Very high95.6Very high0 Ų052.7 Ų52.70%024%0.24CC..EExtended strand (participates in β ladder)trans-97125177.1-59.8-98.9000109.5A7 V42 L44 T55 I56 T59 V69 V70 C71 I72A7-F9 HydrophobicContact CB-CD2 4.32Å; A7-F9 HydrophobicContact CB-CE2 3.51Å; A7-F9 HydrophobicContact CB-CZ 3.96Å; F9-V42 WeakPolarHBondContact CA-O 3.36Å; F9-V42 HydrophobicContact CD1-CB 3.67Å; F9-V42 HydrophobicContact CD1-CG1 3.56Å; F9-V42 HydrophobicContact CD1-CG2 4.28Å; F9-V42 HydrophobicContact CE1-CB 3.85Å; F9-V42 HydrophobicContact CE1-CG1 3.63Å; F9-V42 HydrophobicContact CE1-CG2 3.99Å; F9-V42 HydrophobicContact CG-CB 4.22Å; F9-V42 HydrophobicContact CZ-CG2 4.25Å; F9-L44 HydrophobicContact CB-CD1 4.23Å; F9-L44 HydrophobicContact CD1-CD2 4.3Å; F9-T55 HydrophobicContact CD1-CG2 4.25Å; F9-T55 HydrophobicContact CE1-CG2 4.08Å; F9-I56 HydrophobicContact CD1-CG1 3.84Å; F9-I56 HydrophobicContact CD2-CG1 4.11Å; F9-I56 HydrophobicContact CE1-CB 4.29Å; F9-I56 HydrophobicContact CE1-CG1 3.74Å; F9-I56 HydrophobicContact CE2-CG1 4.03Å; F9-I56 HydrophobicContact CG-CG1 4.02Å; F9-I56 HydrophobicContact CZ-CB 4.25Å; F9-I56 HydrophobicContact CZ-CG1 3.85Å; F9-T59 HydrophobicContact CZ-CG2 4.02Å; F9-V69 HydrophobicContact CD2-CG1 3.72Å; F9-V69 HydrophobicContact CE2-CB 4.35Å; F9-V69 HydrophobicContact CE2-CG1 3.63Å; F9-V69 HydrophobicContact CE2-CG2 4.11Å; F9-V70 PolarHBondContact N-O 3.22Å; F9-C71 CarbonylContact O-C 3.56Å; F9-C71 WeakPolarHBondContact O-CA 3.24Å; F9-I72 PolarHBondContact O-N 3.24Å
10Y98.2Very high95.7Very high11 Ų1154.3 Ų54.34%0.04325%0.247CC..EExtended strand (participates in β ladder)trans-147.5141.5-177.662.5-80.4000111.1L8 M15 A18 W41 V42 E43 L44L8-Y10 HydrophobicContact CG-CD1 4.27Å; L8-Y10 WeakPolarHBondContact O-CD1 3.28Å; Y10-M15 HydrophobicContact CD2-CB 4.49Å; Y10-M15 HydrophobicContact CE2-CB 4.11Å; Y10-M15 HydrophobicContact CE2-CG 4.13Å; Y10-A18 HydrophobicContact CD1-CB 4.38Å; Y10-A18 HydrophobicContact CD2-CB 4.23Å; Y10-A18 HydrophobicContact CG-CB 3.98Å; Y10-W41 HydrophobicContact CD1-CE3 4.23Å; Y10-W41 HydrophobicContact CE1-CB 4.23Å; Y10-W41 HydrophobicContact CE1-CD2 4.48Å; Y10-W41 AromaticContact CE1-CE3 3.55Å; Y10-W41 HydrophobicContact CE1-CE3 3.55Å; Y10-W41 HydrophobicContact CE1-CZ3 4.33Å; Y10-W41 AromaticContact CZ-CE3 3.97Å; Y10-V42 PolarHBondContact N-O 3.5Å; Y10-V42 VanDerWaalsContact N-O 3.12Å; Y10-E43 HydrophobicContact CE2-CB 4.14Å; Y10-E43 HydrophobicContact CE2-CG 4.17Å; Y10-E43 WeakPolarHBondContact O-CA 3.49Å; Y10-L44 PolarHBondContact O-N 3.06Å
11P96.6Very high95.8Very high4 Ų451.7 Ų51.73%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-63.7144.7167.8-2335.2000110.6R13 A14 D47 Y52 I72 M74P11-R13 HydrophobicContact CB-CG 4.12Å; P11-R13 PolarHBondContact O-N 3.46Å; P11-A14 WeakPolarHBondContact O-CB 3.32Å; P11-A14 PolarHBondContact O-N 3.19Å; P11-D47 HydrophobicContact CG-CB 4.48Å; P11-Y52 WeakPolarHBondContact CD-OH 3.41Å; P11-Y52 WeakPolarHBondContact CG-OH 3.38Å; P11-I72 VanDerWaalsContact CD-O 3.29Å; P11-I72 WeakPolarHBondContact CD-O 3.29Å; P11-M74 HydrophobicContact CB-CG 4.47Å; P11-M74 HydrophobicContact CG-CG 3.91Å; P11-M74 HydrophobicContact CG-SD 4.46Å
12K95.2Very high96.3Very high142 Ų14247.5 Ų47.562%0.61721%0.214SC*.G310 helixtrans-46-41.7178.1-173173.6-167.7169.70114.2A14 M15 E43 L44K12-A14 PolarHBondContact O-N 3.39Å; K12-A14 VanDerWaalsContact O-N 3.17Å; K12-M15 WeakPolarHBondContact O-CB 3.38Å; K12-M15 PolarHBondContact O-N 2.87Å; K12-E43 HydrophobicContact CB-CG 4.04Å; K12-E43 WeakPolarHBondContact CB-OE1 3.36Å; K12-E43 VanDerWaalsContact CD-OE1 3.26Å; K12-E43 WeakPolarHBondContact CD-OE1 3.29Å; K12-E43 VanDerWaalsContact CG-OE1 3.29Å; K12-E43 WeakPolarHBondContact CG-OE1 3.26Å; K12-L44 PolarHBondContact N-O 2.88Å
13R94.8Very high96.5Very high157 Ų15749.1 Ų49.159%0.59222%0.22SC*.G310 helixtrans-66-12.5179.164.3178.7174.6164.6-1115.5P11 D47 M74P11-R13 HydrophobicContact CB-CG 4.12Å; P11-R13 PolarHBondContact O-N 3.46Å; R13-D47 IonicContact CZ-OD2 3.8Å; R13-D47 IonicContact NH2-OD2 2.68Å; R13-D47 PolarHBondContact NH2-OD2 3.34Å; R13-M74 HydrophobicContact CG-CE 4.05Å; R13-M74 HydrophobicContact CG-SD 4.31Å; R13-M74 VanDerWaalsContact NH2-CB 3.25Å
14A96.1Very high96.7Very high0 Ų051 Ų510%023%0.23CC..G310 helixtrans-105.812.4179.700000112.6P11 K12 D16 Q17 A18 I72 M74 V101P11-A14 WeakPolarHBondContact O-CB 3.32Å; P11-A14 PolarHBondContact O-N 3.19Å; K12-A14 PolarHBondContact O-N 3.39Å; K12-A14 VanDerWaalsContact O-N 3.17Å; A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 2.76Å; A14-Q17 VanDerWaalsContact CA-OE1 3.31Å; A14-Q17 PolarHBondContact O-N 3.25Å; A14-Q17 PolarHBondContact O-OE1 2.84Å; A14-A18 WeakPolarHBondContact O-CB 3.27Å; A14-A18 PolarHBondContact O-N 3.29Å; A14-I72 HydrophobicContact CB-CG2 4.1Å; A14-M74 HydrophobicContact CB-SD 4Å; A14-V101 HydrophobicContact CB-CG2 4.25Å
15M96.3Very high96.8Very high57 Ų5746.8 Ų46.828%0.28121%0.21SC..Hα-helixtrans-56.3-43.6-174.9-173.3-175.5-150.300112.7Y10 K12 A18 R19Y10-M15 HydrophobicContact CD2-CB 4.49Å; Y10-M15 HydrophobicContact CE2-CB 4.11Å; Y10-M15 HydrophobicContact CE2-CG 4.13Å; K12-M15 WeakPolarHBondContact O-CB 3.38Å; K12-M15 PolarHBondContact O-N 2.87Å; M15-A18 WeakPolarHBondContact O-CB 3.45Å; M15-A18 PolarHBondContact O-N 2.91Å; M15-R19 VanDerWaalsContact CE-NH2 3.28Å; M15-R19 WeakPolarHBondContact O-CG 3.46Å; M15-R19 PolarHBondContact O-N 3.49Å
16D96.3Very high96.9Very high101 Ų10145 Ų4554%0.5420%0.203SC..Hα-helixtrans-66.4-45.9-178.4-64.2-33.1000111A14 A18 R19 E20A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 2.76Å; D16-A18 VanDerWaalsContact C-N 3.29Å; D16-A18 PolarHBondContact O-N 3.17Å; D16-R19 PolarHBondContact O-N 3.21Å; D16-E20 WeakPolarHBondContact O-CG 3.25Å; D16-E20 PolarHBondContact O-N 2.84Å
17Q96.8Very high96.8Very high54 Ų5452 Ų5225%0.25223%0.234SC..Hα-helixtrans-64.7-35176.5-6379.78.700111.9A14 L21 V101 I104A14-Q17 VanDerWaalsContact CA-OE1 3.31Å; A14-Q17 PolarHBondContact O-N 3.25Å; A14-Q17 PolarHBondContact O-OE1 2.84Å; Q17-L21 VanDerWaalsContact O-CB 3.29Å; Q17-L21 WeakPolarHBondContact O-CB 3.29Å; Q17-L21 PolarHBondContact O-N 2.9Å; Q17-V101 HydrophobicContact CB-CG2 4.18Å; Q17-V101 HydrophobicContact CG-CG2 3.96Å; Q17-I104 HydrophobicContact CB-CD1 3.88Å; Q17-I104 HydrophobicContact CB-CG1 4.16Å
18A97.7Very high96.6Very high0 Ų052.6 Ų52.60%024%0.237CC..Hα-helixtrans-63.1-4717500000111.1L8 Y10 A14 M15 D16 L21 V22 W41 I72L8-A18 HydrophobicContact CD2-CB 4.11Å; Y10-A18 HydrophobicContact CD1-CB 4.38Å; Y10-A18 HydrophobicContact CD2-CB 4.23Å; Y10-A18 HydrophobicContact CG-CB 3.98Å; A14-A18 WeakPolarHBondContact O-CB 3.27Å; A14-A18 PolarHBondContact O-N 3.29Å; M15-A18 WeakPolarHBondContact O-CB 3.45Å; M15-A18 PolarHBondContact O-N 2.91Å; D16-A18 VanDerWaalsContact C-N 3.29Å; D16-A18 PolarHBondContact O-N 3.17Å; A18-L21 PolarHBondContact O-N 2.93Å; A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.15Å; A18-W41 HydrophobicContact CB-CZ3 3.88Å; A18-I72 HydrophobicContact CB-CD1 3.47Å; A18-I72 VanDerWaalsContact CB-CD1 3.47Å
19R97.4Very high96.4Very high124 Ų12452.7 Ų52.747%0.46824%0.238SC..Hα-helixtrans-60.8-48175.3-75175.3167.4179-4.3112.2M15 D16 L21 V22 N23 W41M15-R19 VanDerWaalsContact CE-NH2 3.28Å; M15-R19 WeakPolarHBondContact O-CG 3.46Å; M15-R19 PolarHBondContact O-N 3.49Å; D16-R19 PolarHBondContact O-N 3.21Å; R19-L21 VanDerWaalsContact C-N 3.32Å; R19-L21 PolarHBondContact O-N 3.37Å; R19-V22 PolarHBondContact O-N 2.83Å; R19-N23 WeakPolarHBondContact O-CB 3.46Å; R19-N23 PolarHBondContact O-N 3.27Å; R19-N23 PolarHBondContact O-ND2 3.21Å; R19-W41 HydrophobicContact CG-CH2 4Å; R19-W41 HydrophobicContact CG-CZ3 4.17Å
20E96.9Very high96.1Very high84 Ų8455.3 Ų55.339%0.39326%0.264SS..Hα-helixtrans-59.7-43176.8-74.2-176.817500112.1D16 M24 L110D16-E20 WeakPolarHBondContact O-CG 3.25Å; D16-E20 PolarHBondContact O-N 2.84Å; E20-M24 VanDerWaalsContact O-CB 3.3Å; E20-M24 WeakPolarHBondContact O-CB 3.39Å; E20-M24 PolarHBondContact O-N 2.95Å; E20-L110 HydrophobicContact CB-CD2 3.87Å
21L97.8Very high95.7Very high1 Ų160.3 Ų60.31%0.00530%0.298CS..Hα-helixtrans-61.5-50.2176.4176.462.5000111.5Q17 A18 R19 M24 L25 I72 V99 I104 L110 A114 I117Q17-L21 VanDerWaalsContact O-CB 3.29Å; Q17-L21 WeakPolarHBondContact O-CB 3.29Å; Q17-L21 PolarHBondContact O-N 2.9Å; A18-L21 PolarHBondContact O-N 2.93Å; R19-L21 VanDerWaalsContact C-N 3.32Å; R19-L21 PolarHBondContact O-N 3.37Å; L21-M24 PolarHBondContact O-N 2.95Å; L21-L25 HydrophobicContact CD1-CD1 4Å; L21-L25 HydrophobicContact CD1-CD2 4.46Å; L21-L25 HydrophobicContact CD1-CG 3.97Å; L21-L25 HydrophobicContact CG-CD1 3.88Å; L21-L25 HydrophobicContact CG-CG 4.28Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 2.99Å; L21-I72 HydrophobicContact CD2-CD1 4.43Å; L21-V99 HydrophobicContact CD2-CG1 4.33Å; L21-V99 HydrophobicContact CD2-CG2 4.47Å; L21-I104 HydrophobicContact CB-CD1 4.27Å; L21-I104 HydrophobicContact CD1-CG2 4Å; L21-I104 HydrophobicContact CD2-CD1 4.1Å; L21-I104 HydrophobicContact CD2-CG2 4.34Å; L21-L110 HydrophobicContact CD1-CD1 4.42Å; L21-A114 HydrophobicContact CD1-CB 4.2Å; L21-I117 HydrophobicContact CD1-CD1 4.11Å
22V97.5Very high95.3Very high3 Ų363.2 Ų63.22%0.01831%0.313CS..Hα-helixtrans-61.1-47.7-179.6174.50000110.9W6 L8 A18 R19 M24 L25 E26 P39 W41W6-V22 HydrophobicContact CH2-CG2 4.07Å; L8-V22 HydrophobicContact CD2-CG2 3.44Å; L8-V22 VanDerWaalsContact CD2-CG2 3.44Å; A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.15Å; R19-V22 PolarHBondContact O-N 2.83Å; V22-M24 PolarHBondContact O-N 3.35Å; V22-L25 PolarHBondContact O-N 2.89Å; V22-L25 VanDerWaalsContact O-N 3.15Å; V22-E26 HydrophobicContact CG1-CG 4.41Å; V22-E26 WeakPolarHBondContact O-CG 3.4Å; V22-E26 PolarHBondContact O-N 3.44Å; V22-P39 HydrophobicContact CG1-CG 4.12Å; V22-P39 HydrophobicContact CG2-CG 3.91Å; V22-W41 HydrophobicContact CB-CH2 3.82Å; V22-W41 HydrophobicContact CB-CZ2 3.93Å; V22-W41 HydrophobicContact CG1-CH2 4.36Å; V22-W41 HydrophobicContact CG1-CZ2 3.95Å; V22-W41 HydrophobicContact CG2-CH2 3.45Å; V22-W41 VanDerWaalsContact CG2-CH2 3.45Å; V22-W41 HydrophobicContact CG2-CZ2 3.75Å; V22-W41 HydrophobicContact CG2-CZ3 4.31Å
23N96.4Very high95.1Very high86 Ų8659.7 Ų59.746%0.4632%0.317SS..Hα-helixtrans-57.7-39.6176.8-71.1-21000111.9R19 K27R19-N23 WeakPolarHBondContact O-CB 3.46Å; R19-N23 PolarHBondContact O-N 3.27Å; R19-N23 PolarHBondContact O-ND2 3.21Å; N23-K27 VanDerWaalsContact O-CG 3.26Å; N23-K27 WeakPolarHBondContact O-CG 3.38Å; N23-K27 PolarHBondContact O-N 2.96Å
24M97.1Very high95.1Very high41 Ų4152.5 Ų52.520%0.20229%0.29CS..Hα-helixtrans-71.3-42177.7-170.361.362.500111.9E20 L21 V22 K27 I28 L110 R111 A114E20-M24 VanDerWaalsContact O-CB 3.3Å; E20-M24 WeakPolarHBondContact O-CB 3.39Å; E20-M24 PolarHBondContact O-N 2.95Å; L21-M24 PolarHBondContact O-N 2.95Å; V22-M24 PolarHBondContact O-N 3.35Å; M24-K27 PolarHBondContact O-N 3.37Å; M24-I28 HydrophobicContact CG-CD1 3.69Å; M24-I28 HydrophobicContact CG-CG1 4.44Å; M24-I28 VanDerWaalsContact O-CG1 3.25Å; M24-I28 WeakPolarHBondContact O-CG1 3.16Å; M24-I28 PolarHBondContact O-N 2.88Å; M24-I28 HydrophobicContact SD-CD1 3.94Å; M24-I28 HydrophobicContact SD-CG1 4.3Å; M24-L110 HydrophobicContact CB-CD2 4.29Å; M24-L110 HydrophobicContact CB-CG 4.23Å; M24-L110 HydrophobicContact CE-CD2 4.2Å; M24-L110 HydrophobicContact CE-CG 4.37Å; M24-L110 HydrophobicContact CG-CG 4.18Å; M24-R111 HydrophobicContact CE-CB 4.49Å; M24-R111 HydrophobicContact SD-CB 4.03Å; M24-R111 HydrophobicContact SD-CG 4.08Å; M24-A114 HydrophobicContact CB-CB 4.02Å; M24-A114 HydrophobicContact CG-CB 3.47Å; M24-A114 VanDerWaalsContact CG-CB 3.47Å
25L96.9Very high94.9Very high0 Ų062.1 Ų62.10%033%0.326CS..Hα-helixtrans-60.3-45.4176.3-72.4171.8000110.8W6 L21 V22 K27 I28 A29 M36 A114 I117 L118W6-L25 HydrophobicContact CH2-CD1 4.41Å; L21-L25 HydrophobicContact CD1-CD1 4Å; L21-L25 HydrophobicContact CD1-CD2 4.46Å; L21-L25 HydrophobicContact CD1-CG 3.97Å; L21-L25 HydrophobicContact CG-CD1 3.88Å; L21-L25 HydrophobicContact CG-CG 4.28Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 2.99Å; V22-L25 PolarHBondContact O-N 2.89Å; V22-L25 VanDerWaalsContact O-N 3.15Å; L25-K27 PolarHBondContact O-N 3.38Å; L25-I28 PolarHBondContact O-N 3.33Å; L25-A29 VanDerWaalsContact O-CB 3.24Å; L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 3.24Å; L25-M36 HydrophobicContact CB-CE 3.48Å; L25-M36 VanDerWaalsContact CB-CE 3.48Å; L25-M36 HydrophobicContact CB-SD 4.09Å; L25-A114 HydrophobicContact CD2-CB 4.13Å; L25-A114 WeakPolarHBondContact CD2-O 3.3Å; L25-A114 HydrophobicContact CG-CB 4.49Å; L25-I117 HydrophobicContact CD2-CB 4.39Å; L25-I117 HydrophobicContact CD2-CG2 4.11Å; L25-L118 HydrophobicContact CD2-CB 3.82Å; L25-L118 HydrophobicContact CD2-CD1 4.39Å
26E94.8Very high94.8Very high76 Ų7660.6 Ų60.636%0.35532%0.319SS..Hα-helixtrans-59.9-44.6176.8-72.8179.117800112V22 I28 A29 M36V22-E26 HydrophobicContact CG1-CG 4.41Å; V22-E26 WeakPolarHBondContact O-CG 3.4Å; V22-E26 PolarHBondContact O-N 3.44Å; E26-I28 VanDerWaalsContact C-N 3.31Å; E26-I28 PolarHBondContact O-N 3.34Å; E26-A29 PolarHBondContact O-N 3.23Å; E26-M36 HydrophobicContact CB-CE 4.32Å; E26-M36 HydrophobicContact CG-CE 3.53Å
27K94.6Very high94.7Very high151 Ų15157.7 Ų57.766%0.65731%0.307SS*.Hα-helixtrans-61.3-37.3176.9-75.7173.8-177.3-179.80113N23 M24 L25 P31N23-K27 VanDerWaalsContact O-CG 3.26Å; N23-K27 WeakPolarHBondContact O-CG 3.38Å; N23-K27 PolarHBondContact O-N 2.96Å; M24-K27 PolarHBondContact O-N 3.37Å; L25-K27 PolarHBondContact O-N 3.38Å; K27-P31 VanDerWaalsContact O-CD 3.26Å; K27-P31 WeakPolarHBondContact O-CD 3.49Å
28I94.9Very high94.7Very high13 Ų1359.5 Ų59.57%0.06732%0.323CS..Hα-helixtrans-86.1-25.5-177.2-59.9168000111.5M24 L25 E26 G30 P31 I32 R111 A114 Q115 L118M24-I28 HydrophobicContact CG-CD1 3.69Å; M24-I28 HydrophobicContact CG-CG1 4.44Å; M24-I28 VanDerWaalsContact O-CG1 3.25Å; M24-I28 WeakPolarHBondContact O-CG1 3.16Å; M24-I28 PolarHBondContact O-N 2.88Å; M24-I28 HydrophobicContact SD-CD1 3.94Å; M24-I28 HydrophobicContact SD-CG1 4.3Å; L25-I28 PolarHBondContact O-N 3.33Å; E26-I28 VanDerWaalsContact C-N 3.31Å; E26-I28 PolarHBondContact O-N 3.34Å; I28-G30 PolarHBondContact O-N 2.97Å; I28-P31 WeakPolarHBondContact O-CD 3.35Å; I28-I32 HydrophobicContact CG2-CD1 3.56Å; I28-I32 HydrophobicContact CG2-CG1 4.22Å; I28-I32 WeakPolarHBondContact O-CG1 3.23Å; I28-I32 PolarHBondContact O-N 2.79Å; I28-R111 HydrophobicContact CD1-CG 4.01Å; I28-R111 WeakPolarHBondContact CD1-O 3.24Å; I28-A114 HydrophobicContact CD1-CB 3.86Å; I28-Q115 HydrophobicContact CD1-CB 4.23Å; I28-Q115 HydrophobicContact CG2-CB 4.18Å; I28-Q115 HydrophobicContact CG2-CG 4.24Å; I28-L118 HydrophobicContact CB-CD2 4.11Å; I28-L118 HydrophobicContact CG2-CD2 3.87Å
29A94.4Very high94.6Very high2 Ų260 Ų602%0.01733%0.326CS..Hα-helixtrans-59.6-45.2-178.400000112.6L25 E26 I32 G33 M34 M36 L118L25-A29 VanDerWaalsContact O-CB 3.24Å; L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 3.24Å; E26-A29 PolarHBondContact O-N 3.23Å; A29-I32 PolarHBondContact O-N 3.44Å; A29-G33 PolarHBondContact O-N 2.92Å; A29-M34 CarbonylContact C-O 3.57Å; A29-M34 HydrophobicContact CB-CB 4.45Å; A29-M34 VanDerWaalsContact CB-O 3.28Å; A29-M34 WeakPolarHBondContact CB-O 3.31Å; A29-M34 PolarHBondContact O-N 3.18Å; A29-M36 HydrophobicContact CB-CB 4.1Å; A29-L118 HydrophobicContact CB-CD1 4.38Å; A29-L118 HydrophobicContact CB-CD2 4.03Å
30G90.7Very high94.6Very high54 Ų5455.6 Ų55.656%0.55732%0.317SS*.THydrogen-bonded Turntrans-55.5-58.2179.100000113.7I28 I32 G33I28-G30 PolarHBondContact O-N 2.97Å; G30-I32 PolarHBondContact O-N 3.47Å; G30-G33 PolarHBondContact O-N 3.18Å
31P91.1Very high94.6Very high117 Ų11756.6 Ų56.676%0.7632%0.317SS*.THydrogen-bonded Turntrans-57.9-27176.9-28.535.5000115.3K27 I28 G33K27-P31 VanDerWaalsContact O-CD 3.26Å; K27-P31 WeakPolarHBondContact O-CD 3.49Å; I28-P31 WeakPolarHBondContact O-CD 3.35Å; P31-G33 VanDerWaalsContact C-N 3.28Å
32I88.5Confident94.6Very high64 Ų6457.7 Ų57.733%0.32832%0.324SS..THydrogen-bonded Turntrans-84.3-5.2176.9-65.8-176.9000111.7I28 A29 G30 M34 Q115 L118 L119I28-I32 HydrophobicContact CG2-CD1 3.56Å; I28-I32 HydrophobicContact CG2-CG1 4.22Å; I28-I32 WeakPolarHBondContact O-CG1 3.23Å; I28-I32 PolarHBondContact O-N 2.79Å; A29-I32 PolarHBondContact O-N 3.44Å; G30-I32 PolarHBondContact O-N 3.47Å; I32-M34 VanDerWaalsContact C-N 3.27Å; I32-M34 PolarHBondContact O-N 3.36Å; I32-Q115 HydrophobicContact CD1-CG 4.18Å; I32-L118 HydrophobicContact CD1-CD2 3.89Å; I32-L119 HydrophobicContact CD1-CD2 4.12Å; I32-L119 HydrophobicContact CG2-CD2 4.35Å
33G90.8Very high94.7Very high68 Ų6861.6 Ų61.670%0.70134%0.341SS*.THydrogen-bonded Turntrans75.716.4-177.700000113.3A29 G30 P31A29-G33 PolarHBondContact O-N 2.92Å; G30-G33 PolarHBondContact O-N 3.18Å; P31-G33 VanDerWaalsContact C-N 3.28Å
34M93.9Very high94.7Very high6 Ų657.6 Ų57.63%0.0332%0.32CS..  trans-98.1125.7176.2-171.6174.6173.800109.8I1 M3 A29 I32 L118 I121 N122 L125I1-M34 WeakPolarHBondContact O-CE 3.26Å; I1-M34 WeakPolarHBondContact O-CG 3.43Å; M3-M34 HydrophobicContact CB-CE 3.56Å; A29-M34 CarbonylContact C-O 3.57Å; A29-M34 HydrophobicContact CB-CB 4.45Å; A29-M34 VanDerWaalsContact CB-O 3.28Å; A29-M34 WeakPolarHBondContact CB-O 3.31Å; A29-M34 PolarHBondContact O-N 3.18Å; I32-M34 VanDerWaalsContact C-N 3.27Å; I32-M34 PolarHBondContact O-N 3.36Å; M34-L118 HydrophobicContact CE-CD1 4.44Å; M34-L118 HydrophobicContact SD-CD1 3.56Å; M34-L118 VanDerWaalsContact SD-CD1 3.56Å; M34-L118 HydrophobicContact SD-CG 4.25Å; M34-I121 HydrophobicContact CE-CG2 3.84Å; M34-N122 HydrophobicContact SD-CB 4.08Å; M34-L125 HydrophobicContact CE-CD1 3.99Å
35R93Very high94.6Very high202 Ų20263.8 Ų63.876%0.76235%0.346SS*.  trans-87.6127.2169.6-64.9-175.2-175.1-1721.6109.1P2 M3P2-R35 CarbonylContact C-O 3.59Å; P2-R35 WeakPolarHBondContact CA-O 3.39Å; P2-R35 HydrophobicContact CB-CB 4.19Å; M3-R35 PolarHBondContact N-O 3Å
36M93.8Very high94.5Very high26 Ų2665.8 Ų65.813%0.12836%0.356CS..BIsolated β-bridgetrans-128.2122.4-179.4-161176.674.700108.8M3 W6 L25 E26 A29 L118M3-M36 HydrophobicContact CB-CG 4.29Å; M3-M36 HydrophobicContact CE-CG 3.33Å; M3-M36 HydrophobicContact CE-SD 3.32Å; M3-M36 WeakPolarHBondContact CE-SD 3.47Å; M3-M36 WeakPolarHBondContact O-CA 3.39Å; W6-M36 HydrophobicContact CZ2-CE 3.98Å; W6-M36 HydrophobicContact CZ2-CG 4.39Å; W6-M36 HydrophobicContact CZ2-SD 4.01Å; L25-M36 HydrophobicContact CB-CE 3.48Å; L25-M36 VanDerWaalsContact CB-CE 3.48Å; L25-M36 HydrophobicContact CB-SD 4.09Å; E26-M36 HydrophobicContact CB-CE 4.32Å; E26-M36 HydrophobicContact CG-CE 3.53Å; A29-M36 HydrophobicContact CB-CB 4.1Å; M36-L118 HydrophobicContact SD-CD1 4.25Å
37S94.5Very high94.3Very high40 Ų4064.5 Ų64.528%0.2835%0.352SS..PPolyproline II helixtrans-83.4160.1173.7-54.60000109.9M3 H4 W6M3-S37 PolarHBondContact O-N 3.28Å; H4-S37 WeakPolarHBondContact O-CB 3.26Å; W6-S37 PolarHBondContact NE1-O 2.97Å
38P95.3Very high94.4Very high92 Ų9265 Ų6560%0.59735%0.35SS*.PPolyproline II helixtrans-56.6141.5172.7-25.135.1000111.2
39P97Very high94.5Very high9 Ų966.3 Ų66.36%0.05836%0.357CS..PPolyproline II helixtrans-71.3157.317825.6-29.1000111.9W6 L8 V22 W41W6-P39 HydrophobicContact CD2-CB 3.72Å; W6-P39 VanDerWaalsContact CE2-CB 3.5Å; W6-P39 HydrophobicContact CE3-CB 3.88Å; W6-P39 HydrophobicContact CG-CB 4.43Å; W6-P39 HydrophobicContact CH2-CB 3.8Å; W6-P39 HydrophobicContact CH2-CG 3.81Å; W6-P39 HydrophobicContact CZ2-CB 3.58Å; W6-P39 HydrophobicContact CZ2-CG 3.63Å; W6-P39 HydrophobicContact CZ3-CB 3.92Å; W6-P39 HydrophobicContact CZ3-CG 4.35Å; W6-P39 CarbonylContact O-C 3.59Å; W6-P39 VanDerWaalsContact O-CA 3.31Å; W6-P39 WeakPolarHBondContact O-CA 3.35Å; L8-P39 HydrophobicContact CB-CB 3.9Å; L8-P39 HydrophobicContact CB-CG 4.19Å; V22-P39 HydrophobicContact CG1-CG 4.12Å; V22-P39 HydrophobicContact CG2-CG 3.91Å; P39-W41 HydrophobicContact CG-CD2 4.38Å; P39-W41 HydrophobicContact CG-CZ2 4Å; P39-W41 PolarHBondContact O-N 3.15Å
40A96.6Very high94.7Very high33 Ų3371.6 Ų71.627%0.27338%0.381SS..EExtended strand (participates in β ladder)trans-67.7113.4154.200000108.7W6 A7 L8 V42W6-A40 PolarHBondContact O-N 3.43Å; A7-A40 WeakPolarHBondContact CA-O 3.48Å; A7-A40 HydrophobicContact CB-CB 4.18Å; L8-A40 PolarHBondContact N-O 3.04Å; A40-V42 PolarHBondContact O-N 2.87Å
41W97.8Very high95Very high104 Ų10469.5 Ų69.539%0.39436%0.357SS..EExtended strand (participates in β ladder)trans-80.8117.8-179.7-66.784.1000110L8 Y10 A18 R19 V22 P39L8-W41 HydrophobicContact CD2-CE3 4.09Å; L8-W41 HydrophobicContact CD2-CH2 4.01Å; L8-W41 HydrophobicContact CD2-CZ3 3.65Å; Y10-W41 HydrophobicContact CD1-CE3 4.23Å; Y10-W41 HydrophobicContact CE1-CB 4.23Å; Y10-W41 HydrophobicContact CE1-CD2 4.48Å; Y10-W41 AromaticContact CE1-CE3 3.55Å; Y10-W41 HydrophobicContact CE1-CE3 3.55Å; Y10-W41 HydrophobicContact CE1-CZ3 4.33Å; Y10-W41 AromaticContact CZ-CE3 3.97Å; A18-W41 HydrophobicContact CB-CZ3 3.88Å; R19-W41 HydrophobicContact CG-CH2 4Å; R19-W41 HydrophobicContact CG-CZ3 4.17Å; V22-W41 HydrophobicContact CB-CH2 3.82Å; V22-W41 HydrophobicContact CB-CZ2 3.93Å; V22-W41 HydrophobicContact CG1-CH2 4.36Å; V22-W41 HydrophobicContact CG1-CZ2 3.95Å; V22-W41 HydrophobicContact CG2-CH2 3.45Å; V22-W41 VanDerWaalsContact CG2-CH2 3.45Å; V22-W41 HydrophobicContact CG2-CZ2 3.75Å; V22-W41 HydrophobicContact CG2-CZ3 4.31Å; P39-W41 HydrophobicContact CG-CD2 4.38Å; P39-W41 HydrophobicContact CG-CZ2 4Å; P39-W41 PolarHBondContact O-N 3.15Å
42V97.9Very high95.3Very high25 Ų2563.9 Ų63.915%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-120.497.5-179.8-171.50000109.7A7 L8 F9 Y10 A40 T55 T59A7-V42 HydrophobicContact CB-CG2 4.45Å; L8-V42 PolarHBondContact O-N 2.88Å; F9-V42 WeakPolarHBondContact CA-O 3.36Å; F9-V42 HydrophobicContact CD1-CB 3.67Å; F9-V42 HydrophobicContact CD1-CG1 3.56Å; F9-V42 HydrophobicContact CD1-CG2 4.28Å; F9-V42 HydrophobicContact CE1-CB 3.85Å; F9-V42 HydrophobicContact CE1-CG1 3.63Å; F9-V42 HydrophobicContact CE1-CG2 3.99Å; F9-V42 HydrophobicContact CG-CB 4.22Å; F9-V42 HydrophobicContact CZ-CG2 4.25Å; Y10-V42 PolarHBondContact N-O 3.5Å; Y10-V42 VanDerWaalsContact N-O 3.12Å; A40-V42 PolarHBondContact O-N 2.87Å; V42-T55 HydrophobicContact CG1-CG2 3.54Å; V42-T59 HydrophobicContact CG2-CG2 4.39Å
43E98.2Very high95.8Very high84 Ų8462.2 Ų62.239%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-73.5130174.4-174.4174.6125.500110.7Y10 K12Y10-E43 HydrophobicContact CE2-CB 4.14Å; Y10-E43 HydrophobicContact CE2-CG 4.17Å; Y10-E43 WeakPolarHBondContact O-CA 3.49Å; K12-E43 HydrophobicContact CB-CG 4.04Å; K12-E43 WeakPolarHBondContact CB-OE1 3.36Å; K12-E43 VanDerWaalsContact CD-OE1 3.26Å; K12-E43 WeakPolarHBondContact CD-OE1 3.29Å; K12-E43 VanDerWaalsContact CG-OE1 3.29Å; K12-E43 WeakPolarHBondContact CG-OE1 3.26Å
44L97.9Very high96.1Very high2 Ų267.8 Ų67.81%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-96.2135.2175.8-59.2170.4000110.4F9 Y10 K12 D46 T51 Y52 T55F9-L44 HydrophobicContact CB-CD1 4.23Å; F9-L44 HydrophobicContact CD1-CD2 4.3Å; Y10-L44 PolarHBondContact O-N 3.06Å; K12-L44 PolarHBondContact N-O 2.88Å; L44-D46 VanDerWaalsContact C-N 3.28Å; L44-D46 PolarHBondContact O-N 2.91Å; L44-T51 HydrophobicContact CB-CG2 4.36Å; L44-T51 HydrophobicContact CD2-CG2 4.24Å; L44-Y52 HydrophobicContact CD1-CD1 3.42Å; L44-Y52 VanDerWaalsContact CD1-CD1 3.42Å; L44-Y52 HydrophobicContact CD1-CD2 3.89Å; L44-Y52 HydrophobicContact CD1-CE1 3.15Å; L44-Y52 HydrophobicContact CD1-CE2 3.67Å; L44-Y52 HydrophobicContact CD1-CG 3.78Å; L44-T55 HydrophobicContact CD2-CG2 3.9Å
45K94.7Very high96.3Very high172 Ų17269.4 Ų69.475%0.74832%0.324SS*.SBendtrans-63.1-31.3178.664.2175.5-172.7179.60113.8T51K45-T51 HydrophobicContact CD-CG2 4.42Å; K45-T51 VanDerWaalsContact CE-OG1 3.29Å; K45-T51 WeakPolarHBondContact CE-OG1 3.38Å; K45-T51 HydrophobicContact CG-CG2 3.7Å
46D93.4Very high96.5Very high41 Ų4159.8 Ų59.822%0.21929%0.288CS..SBendtrans-155.9177.1-178.861.549.3000110.1L44 R48 T51L44-D46 VanDerWaalsContact C-N 3.28Å; L44-D46 PolarHBondContact O-N 2.91Å; D46-R48 HydrophobicContact CB-CG 4.48Å; D46-R48 WeakPolarHBondContact OD1-CB 3.47Å; D46-R48 WeakPolarHBondContact OD1-CG 3.32Å; D46-R48 PolarHBondContact OD1-N 3.12Å; D46-T51 WeakPolarHBondContact OD1-CB 3.49Å; D46-T51 PolarHBondContact OD1-OG1 3.47Å; D46-T51 PolarHBondContact OD2-OG1 3.49Å
47D92.1Very high96.5Very high49 Ų4963.2 Ų63.226%0.26230%0.303SS..  trans-101.624.1-179.464.9-12.6000114P11 R13 Y52P11-D47 HydrophobicContact CG-CB 4.48Å; R13-D47 IonicContact CZ-OD2 3.8Å; R13-D47 IonicContact NH2-OD2 2.68Å; R13-D47 PolarHBondContact NH2-OD2 3.34Å; D47-Y52 HydrophobicContact CB-CE2 4.46Å
48R96.1Very high96.5Very high162 Ų16265.5 Ų65.561%0.61132%0.319SS*.  trans-77.7146.7177.8-60.4179.1175.6-1680.3111.5D46 E50 T51 Y52D46-R48 HydrophobicContact CB-CG 4.48Å; D46-R48 WeakPolarHBondContact OD1-CB 3.47Å; D46-R48 WeakPolarHBondContact OD1-CG 3.32Å; D46-R48 PolarHBondContact OD1-N 3.12Å; R48-E50 VanDerWaalsContact C-N 3.3Å; R48-E50 PolarHBondContact O-N 2.82Å; R48-T51 WeakPolarHBondContact O-CB 3.23Å; R48-T51 PolarHBondContact O-N 2.97Å; R48-T51 VanDerWaalsContact O-N 3.11Å; R48-Y52 WeakPolarHBondContact O-CD2 3.33Å; R48-Y52 PolarHBondContact O-N 3.26Å
49I97.3Very high96.5Very high41 Ų4162 Ų6221%0.2130%0.297CS..Hα-helixtrans-57.2-45.3-179.7-61.5178.1000111.3T51 Y52 V53 D79 L80 A83I49-T51 PolarHBondContact O-N 3.47Å; I49-Y52 PolarHBondContact O-N 2.83Å; I49-V53 HydrophobicContact CG2-CG2 4.11Å; I49-V53 WeakPolarHBondContact O-CG2 3.39Å; I49-V53 PolarHBondContact O-N 3.29Å; I49-D79 HydrophobicContact CD1-CB 3.99Å; I49-L80 HydrophobicContact CB-CD1 4.3Å; I49-L80 HydrophobicContact CG1-CB 4.19Å; I49-L80 HydrophobicContact CG1-CD1 3.98Å; I49-L80 HydrophobicContact CG2-CD1 4.5Å; I49-A83 HydrophobicContact CG2-CB 3.37Å
50E97.6Very high96.4Very high112 Ų11263.1 Ų63.152%0.52330%0.302SS..Hα-helixtrans-61.7-35.8-178.6-5876.9-164.300111.5R48 R54R48-E50 VanDerWaalsContact C-N 3.3Å; R48-E50 PolarHBondContact O-N 2.82Å; E50-R54 VanDerWaalsContact O-CB 3.26Å; E50-R54 WeakPolarHBondContact O-CB 3.41Å; E50-R54 VanDerWaalsContact O-CG 3.24Å; E50-R54 WeakPolarHBondContact O-CG 3.34Å; E50-R54 PolarHBondContact O-N 3.42Å
51T97.6Very high96Very high10 Ų1064.8 Ų64.86%0.06132%0.322CS..Hα-helixtrans-65.7-48.2177.8-61.80000110.8L44 K45 D46 R48 I49 T55L44-T51 HydrophobicContact CB-CG2 4.36Å; L44-T51 HydrophobicContact CD2-CG2 4.24Å; K45-T51 HydrophobicContact CD-CG2 4.42Å; K45-T51 VanDerWaalsContact CE-OG1 3.29Å; K45-T51 WeakPolarHBondContact CE-OG1 3.38Å; K45-T51 HydrophobicContact CG-CG2 3.7Å; D46-T51 WeakPolarHBondContact OD1-CB 3.49Å; D46-T51 PolarHBondContact OD1-OG1 3.47Å; D46-T51 PolarHBondContact OD2-OG1 3.49Å; R48-T51 WeakPolarHBondContact O-CB 3.23Å; R48-T51 PolarHBondContact O-N 2.97Å; R48-T51 VanDerWaalsContact O-N 3.11Å; I49-T51 PolarHBondContact O-N 3.47Å; T51-T55 VanDerWaalsContact O-CB 3.25Å; T51-T55 WeakPolarHBondContact O-CB 3.39Å; T51-T55 PolarHBondContact O-N 2.83Å; T51-T55 PolarHBondContact O-OG1 3.45Å
52Y98.1Very high95.4Very high0 Ų064 Ų640%034%0.337CS..Hα-helixtrans-60-52.3175.1-81.2-99.1000111.3P11 L44 D47 R48 I49 R54 T55 I56 C71 I72 I73 L80 I84P11-Y52 WeakPolarHBondContact CD-OH 3.41Å; P11-Y52 WeakPolarHBondContact CG-OH 3.38Å; L44-Y52 HydrophobicContact CD1-CD1 3.42Å; L44-Y52 VanDerWaalsContact CD1-CD1 3.42Å; L44-Y52 HydrophobicContact CD1-CD2 3.89Å; L44-Y52 HydrophobicContact CD1-CE1 3.15Å; L44-Y52 HydrophobicContact CD1-CE2 3.67Å; L44-Y52 HydrophobicContact CD1-CG 3.78Å; D47-Y52 HydrophobicContact CB-CE2 4.46Å; R48-Y52 WeakPolarHBondContact O-CD2 3.33Å; R48-Y52 PolarHBondContact O-N 3.26Å; I49-Y52 PolarHBondContact O-N 2.83Å; Y52-R54 PolarHBondContact O-N 3.31Å; Y52-T55 PolarHBondContact O-N 3.17Å; Y52-I56 WeakPolarHBondContact O-CB 3.26Å; Y52-I56 WeakPolarHBondContact O-CD1 3.37Å; Y52-I56 WeakPolarHBondContact O-CG1 3.43Å; Y52-I56 PolarHBondContact O-N 3.28Å; Y52-C71 HydrophobicContact CD1-CB 4.47Å; Y52-C71 HydrophobicContact CE1-CB 4.31Å; Y52-I72 PolarHBondContact OH-O 2.93Å; Y52-I73 HydrophobicContact CE1-CG2 4.2Å; Y52-L80 HydrophobicContact CD1-CD1 4.49Å; Y52-L80 HydrophobicContact CD2-CD1 3.6Å; Y52-L80 HydrophobicContact CD2-CD2 3.98Å; Y52-L80 HydrophobicContact CD2-CG 4.41Å; Y52-L80 HydrophobicContact CE2-CD1 4.16Å; Y52-L80 HydrophobicContact CE2-CD2 3.65Å; Y52-L80 HydrophobicContact CG-CD1 3.78Å; Y52-I84 HydrophobicContact CD1-CD1 3.82Å; Y52-I84 HydrophobicContact CE1-CD1 4.37Å; Y52-I84 HydrophobicContact CG-CD1 4.3Å
53V97.8Very high94.3Very high29 Ų2967 Ų6718%0.17635%0.35CS..Hα-helixtrans-60.6-50.1-173.8169.30000111I49 T55 Q57 A83 L87I49-V53 HydrophobicContact CG2-CG2 4.11Å; I49-V53 WeakPolarHBondContact O-CG2 3.39Å; I49-V53 PolarHBondContact O-N 3.29Å; V53-T55 PolarHBondContact O-N 3.03Å; V53-Q57 VanDerWaalsContact O-CB 3.26Å; V53-Q57 WeakPolarHBondContact O-CB 3.25Å; V53-Q57 PolarHBondContact O-N 2.89Å; V53-A83 HydrophobicContact CG2-CB 4.21Å; V53-L87 HydrophobicContact CB-CD2 4.43Å; V53-L87 HydrophobicContact CG1-CD1 4.46Å; V53-L87 HydrophobicContact CG1-CD2 4.15Å; V53-L87 WeakPolarHBondContact O-CD2 3.49Å
54R97.3Very high92.9Very high184 Ų18466.8 Ų66.869%0.69437%0.371SS*.Hα-helixtrans-63.7-42.3179.8-71.4179.3-177.9-169.82.3112.1E50 Y52 Q57 S58E50-R54 VanDerWaalsContact O-CB 3.26Å; E50-R54 WeakPolarHBondContact O-CB 3.41Å; E50-R54 VanDerWaalsContact O-CG 3.24Å; E50-R54 WeakPolarHBondContact O-CG 3.34Å; E50-R54 PolarHBondContact O-N 3.42Å; Y52-R54 PolarHBondContact O-N 3.31Å; R54-Q57 PolarHBondContact O-N 3.47Å; R54-S58 VanDerWaalsContact O-CB 3.26Å; R54-S58 WeakPolarHBondContact O-CB 3.18Å; R54-S58 PolarHBondContact O-N 3.13Å
55T97.5Very high92.3Very high41 Ų4174.3 Ų74.325%0.25240%0.403SS..Hα-helixtrans-69.6-43.3-177.2-48.70000111F9 V42 L44 T51 Y52 V53 S58 T59F9-T55 HydrophobicContact CD1-CG2 4.25Å; F9-T55 HydrophobicContact CE1-CG2 4.08Å; V42-T55 HydrophobicContact CG1-CG2 3.54Å; L44-T55 HydrophobicContact CD2-CG2 3.9Å; T51-T55 VanDerWaalsContact O-CB 3.25Å; T51-T55 WeakPolarHBondContact O-CB 3.39Å; T51-T55 PolarHBondContact O-N 2.83Å; T51-T55 PolarHBondContact O-OG1 3.45Å; Y52-T55 PolarHBondContact O-N 3.17Å; V53-T55 PolarHBondContact O-N 3.03Å; T55-S58 PolarHBondContact O-N 3.17Å; T55-T59 WeakPolarHBondContact O-CB 3.48Å; T55-T59 PolarHBondContact O-N 3.04Å; T55-T59 PolarHBondContact O-OG1 3.21Å
56I97.3Very high92.2Very high0 Ų067 Ų670%037%0.373CS..Hα-helixtrans-59.6-49.8174.4-66.4163.8000109.8F9 Y52 S58 T59 L60 V69 I84 L87F9-I56 HydrophobicContact CD1-CG1 3.84Å; F9-I56 HydrophobicContact CD2-CG1 4.11Å; F9-I56 HydrophobicContact CE1-CB 4.29Å; F9-I56 HydrophobicContact CE1-CG1 3.74Å; F9-I56 HydrophobicContact CE2-CG1 4.03Å; F9-I56 HydrophobicContact CG-CG1 4.02Å; F9-I56 HydrophobicContact CZ-CB 4.25Å; F9-I56 HydrophobicContact CZ-CG1 3.85Å; Y52-I56 WeakPolarHBondContact O-CB 3.26Å; Y52-I56 WeakPolarHBondContact O-CD1 3.37Å; Y52-I56 WeakPolarHBondContact O-CG1 3.43Å; Y52-I56 PolarHBondContact O-N 3.28Å; I56-S58 PolarHBondContact O-N 3.39Å; I56-T59 PolarHBondContact O-N 3.19Å; I56-L60 HydrophobicContact CG2-CD1 3.78Å; I56-L60 HydrophobicContact CG2-CG 4.26Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 3.27Å; I56-V69 HydrophobicContact CD1-CG1 4.4Å; I56-V69 HydrophobicContact CG1-CG1 4.38Å; I56-V69 HydrophobicContact CG2-CG1 4.33Å; I56-V69 HydrophobicContact CG2-CG2 4.31Å; I56-I84 HydrophobicContact CD1-CG1 4.19Å; I56-I84 HydrophobicContact CD1-CG2 4.25Å; I56-L87 HydrophobicContact CB-CD2 3.73Å; I56-L87 HydrophobicContact CD1-CD2 4.45Å; I56-L87 HydrophobicContact CG2-CD2 3.61Å
57Q95.6Very high92.3Very high97 Ų9767.8 Ų67.845%0.45338%0.375SS..Hα-helixtrans-60.7-43.9-179.2-170.2176.812.900112.3V53 R54 L60 G61 L87V53-Q57 VanDerWaalsContact O-CB 3.26Å; V53-Q57 WeakPolarHBondContact O-CB 3.25Å; V53-Q57 PolarHBondContact O-N 2.89Å; R54-Q57 PolarHBondContact O-N 3.47Å; Q57-L60 PolarHBondContact O-N 2.78Å; Q57-G61 PolarHBondContact O-N 2.94Å; Q57-L87 HydrophobicContact CB-CD1 4.33Å
58S94.6Very high92.5Very high88 Ų8865.4 Ų65.462%0.61536%0.362SS*.Hα-helixtrans-61.7-43.4176.1-175.10000111.9R54 T55 I56 G61 A62R54-S58 VanDerWaalsContact O-CB 3.26Å; R54-S58 WeakPolarHBondContact O-CB 3.18Å; R54-S58 PolarHBondContact O-N 3.13Å; T55-S58 PolarHBondContact O-N 3.17Å; I56-S58 PolarHBondContact O-N 3.39Å; S58-G61 PolarHBondContact O-N 3.08Å; S58-A62 WeakPolarHBondContact O-CB 3.45Å; S58-A62 PolarHBondContact O-N 3.34Å
59T94.9Very high92.6Very high20 Ų2057.7 Ų57.712%0.12333%0.333CS..Hα-helixtrans-66.3-44.2-179.6-50.40000110.9A7 F9 V42 T55 I56 G61 A62 E63 I66A7-T59 HydrophobicContact CB-CG2 4.45Å; F9-T59 HydrophobicContact CZ-CG2 4.02Å; V42-T59 HydrophobicContact CG2-CG2 4.39Å; T55-T59 WeakPolarHBondContact O-CB 3.48Å; T55-T59 PolarHBondContact O-N 3.04Å; T55-T59 PolarHBondContact O-OG1 3.21Å; I56-T59 PolarHBondContact O-N 3.19Å; T59-G61 VanDerWaalsContact C-N 3.3Å; T59-G61 PolarHBondContact O-N 2.83Å; T59-A62 PolarHBondContact O-N 3.03Å; T59-E63 PolarHBondContact O-N 3.13Å; T59-I66 HydrophobicContact CG2-CD1 3.68Å
60L93.4Very high92.7Very high31 Ų3155.8 Ų55.816%0.16232%0.323CS..Hα-helixtrans-64.3-33.6176-67.1174000112.7I56 Q57 I66 V69 V94I56-L60 HydrophobicContact CG2-CD1 3.78Å; I56-L60 HydrophobicContact CG2-CG 4.26Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 3.27Å; Q57-L60 PolarHBondContact O-N 2.78Å; L60-I66 HydrophobicContact CD2-CB 3.92Å; L60-I66 HydrophobicContact CD2-CD1 4.11Å; L60-I66 HydrophobicContact CD2-CG2 3.89Å; L60-V69 HydrophobicContact CD2-CG2 3.95Å; L60-V94 HydrophobicContact CD1-CG1 3.77Å; L60-V94 HydrophobicContact CD2-CB 4.3Å; L60-V94 HydrophobicContact CD2-CG1 4.05Å; L60-V94 HydrophobicContact CD2-CG2 4.26Å
61G88.2Confident92.7Very high69 Ų6950.5 Ų50.571%0.71130%0.298SS*.Hα-helixtrans-73.5-33.5177.100000113.7Q57 S58 T59Q57-G61 PolarHBondContact O-N 2.94Å; S58-G61 PolarHBondContact O-N 3.08Å; T59-G61 VanDerWaalsContact C-N 3.3Å; T59-G61 PolarHBondContact O-N 2.83Å
62A86.3Confident92.7Very high86 Ų8650 Ų5071%0.71130%0.295SS*.Hα-helixtrans-79.4-37.2177.400000112.4S58 T59S58-A62 WeakPolarHBondContact O-CB 3.45Å; S58-A62 PolarHBondContact O-N 3.34Å; T59-A62 PolarHBondContact O-N 3.03Å
63E74.1Confident92.7Very high88 Ų8850.5 Ų50.541%0.41130%0.298SS..  trans-11385.5-175.9-64.4-174.4-161.600111T59 K65 I66T59-E63 PolarHBondContact O-N 3.13Å; E63-K65 PolarHBondContact O-N 2.78Å; E63-I66 HydrophobicContact CB-CD1 3.81Å; E63-I66 HydrophobicContact CB-CG1 3.87Å; E63-I66 PolarHBondContact O-N 3.38Å
64G68.6Low92.5Very high81 Ų8150.8 Ų50.884%0.83530%0.298SS*.THydrogen-bonded Turntrans-65.315.3-179.500000116.3
65K85.8Confident92.1Very high159 Ų15942.7 Ų42.769%0.69127%0.272SS*.THydrogen-bonded Turntrans-125.63.3-176.4-65.9-176-179.4177.90114.3F5 E63 Q67F5-K65 WeakPolarHBondContact CB-O 3.47Å; F5-K65 HydrophobicContact CD2-CB 4.35Å; F5-K65 HydrophobicContact CG-CB 4.5Å; E63-K65 PolarHBondContact O-N 2.78Å; K65-Q67 PolarHBondContact O-N 2.92Å; K65-Q67 VanDerWaalsContact O-N 3.13Å
66I93.7Very high91.8Very high20 Ų2045.2 Ų45.210%0.10329%0.289CS..  trans-64117.1-179.4-67.4176.4000110A7 T59 L60 E63 M68 V69 V94A7-I66 HydrophobicContact CB-CD1 4.16Å; T59-I66 HydrophobicContact CG2-CD1 3.68Å; L60-I66 HydrophobicContact CD2-CB 3.92Å; L60-I66 HydrophobicContact CD2-CD1 4.11Å; L60-I66 HydrophobicContact CD2-CG2 3.89Å; E63-I66 HydrophobicContact CB-CD1 3.81Å; E63-I66 HydrophobicContact CB-CG1 3.87Å; E63-I66 PolarHBondContact O-N 3.38Å; I66-M68 VanDerWaalsContact CG2-O 3.26Å; I66-M68 WeakPolarHBondContact CG2-O 3.22Å; I66-V69 HydrophobicContact CG2-CG2 4.19Å; I66-V94 HydrophobicContact CG2-CG2 4.34Å
67Q95.2Very high91.5Very high56 Ų5648.6 Ų48.626%0.26230%0.301SS..  trans-81.4-27.7177.1-58.9175.2-85.700111.8F5 K65 P95 L125F5-Q67 VanDerWaalsContact O-CB 3.31Å; F5-Q67 WeakPolarHBondContact O-CB 3.32Å; F5-Q67 PolarHBondContact O-N 3.49Å; K65-Q67 PolarHBondContact O-N 2.92Å; K65-Q67 VanDerWaalsContact O-N 3.13Å; Q67-P95 WeakPolarHBondContact O-CD 3.42Å; Q67-L125 HydrophobicContact CB-CD2 4.12Å
68M96.6Very high91.4Very high0 Ų050.2 Ų50.20%031%0.313CS..EExtended strand (participates in β ladder)trans-155.2144.7-176.6-168.6162.9-153.600113.4M3 W6 A7 I66 V70 P95 Q97 I121 K124 L125M3-M68 HydrophobicContact SD-CB 4.13Å; M3-M68 HydrophobicContact SD-SD 4.23Å; W6-M68 VanDerWaalsContact CA-O 3.23Å; W6-M68 WeakPolarHBondContact CA-O 3.39Å; W6-M68 HydrophobicContact CB-CB 4.08Å; W6-M68 WeakPolarHBondContact CB-O 3.47Å; A7-M68 PolarHBondContact N-O 3.38Å; I66-M68 VanDerWaalsContact CG2-O 3.26Å; I66-M68 WeakPolarHBondContact CG2-O 3.22Å; M68-V70 HydrophobicContact CG-CG2 4.38Å; M68-P95 WeakPolarHBondContact CA-O 3.26Å; M68-P95 HydrophobicContact CE-CB 4.34Å; M68-P95 HydrophobicContact CG-CB 4.29Å; M68-P95 WeakPolarHBondContact CG-O 3.43Å; M68-Q97 HydrophobicContact CE-CB 3.74Å; M68-I121 HydrophobicContact CE-CB 4.38Å; M68-I121 HydrophobicContact CE-CG1 3.85Å; M68-I121 HydrophobicContact SD-CB 3.99Å; M68-I121 HydrophobicContact SD-CD1 4.43Å; M68-I121 HydrophobicContact SD-CG1 3.69Å; M68-I121 HydrophobicContact SD-CG2 3.58Å; M68-I121 VanDerWaalsContact SD-CG2 3.58Å; M68-K124 HydrophobicContact CE-CB 4.08Å; M68-K124 HydrophobicContact CE-CD 3.6Å; M68-L125 HydrophobicContact CB-CD2 4.45Å
69V97.8Very high91.4Very high0 Ų049.7 Ų49.70%030%0.304CS..EExtended strand (participates in β ladder)trans-108.3126.6170.2168.80000109.7F9 I56 L60 I66 C71 V94 P95 S96 Q97F9-V69 HydrophobicContact CD2-CG1 3.72Å; F9-V69 HydrophobicContact CE2-CB 4.35Å; F9-V69 HydrophobicContact CE2-CG1 3.63Å; F9-V69 HydrophobicContact CE2-CG2 4.11Å; I56-V69 HydrophobicContact CD1-CG1 4.4Å; I56-V69 HydrophobicContact CG1-CG1 4.38Å; I56-V69 HydrophobicContact CG2-CG1 4.33Å; I56-V69 HydrophobicContact CG2-CG2 4.31Å; L60-V69 HydrophobicContact CD2-CG2 3.95Å; I66-V69 HydrophobicContact CG2-CG2 4.19Å; V69-C71 VanDerWaalsContact CG1-SG 3.51Å; V69-V94 HydrophobicContact CB-CG1 4.39Å; V69-V94 HydrophobicContact CG2-CG1 3.81Å; V69-V94 HydrophobicContact CG2-CG2 4.32Å; V69-P95 PolarHBondContact N-O 3.41Å; V69-S96 CarbonylContact O-C 3.18Å; V69-S96 WeakPolarHBondContact O-CA 3.4Å; V69-Q97 PolarHBondContact O-N 3.46Å
70V98.3Very high91.5Very high1 Ų148.8 Ų48.81%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-115125.6171.7-175.50000108.6W6 A7 L8 F9 M68 Q97 V99 I121W6-V70 HydrophobicContact CE3-CB 4.09Å; W6-V70 HydrophobicContact CE3-CG2 3.52Å; W6-V70 HydrophobicContact CZ3-CB 3.88Å; W6-V70 HydrophobicContact CZ3-CG1 4.48Å; W6-V70 HydrophobicContact CZ3-CG2 3.56Å; A7-V70 PolarHBondContact O-N 2.94Å; L8-V70 CarbonylContact C-O 3.55Å; L8-V70 WeakPolarHBondContact CA-O 3.31Å; L8-V70 HydrophobicContact CD1-CB 3.81Å; L8-V70 HydrophobicContact CD1-CG1 3.6Å; F9-V70 PolarHBondContact N-O 3.22Å; M68-V70 HydrophobicContact CG-CG2 4.38Å; V70-Q97 CarbonylContact C-O 3.54Å; V70-Q97 VanDerWaalsContact CA-O 3.26Å; V70-Q97 WeakPolarHBondContact CA-O 3.47Å; V70-Q97 HydrophobicContact CG1-CB 4.36Å; V70-Q97 HydrophobicContact CG2-CB 4.18Å; V70-V99 HydrophobicContact CG1-CG2 4.27Å; V70-I121 HydrophobicContact CG2-CD1 4.49Å
71C98.3Very high91.7Very high0 Ų052.5 Ų52.50%031%0.311CS..EExtended strand (participates in β ladder)trans-119.5124.2-178.7-60.80000110.4F9 Y52 V69 I84 Q97 V98 V99F9-C71 CarbonylContact O-C 3.56Å; F9-C71 WeakPolarHBondContact O-CA 3.24Å; Y52-C71 HydrophobicContact CD1-CB 4.47Å; Y52-C71 HydrophobicContact CE1-CB 4.31Å; V69-C71 VanDerWaalsContact CG1-SG 3.51Å; C71-I84 HydrophobicContact CB-CD1 3.99Å; C71-Q97 PolarHBondContact N-O 3.34Å; C71-V98 CarbonylContact O-C 3.55Å; C71-V98 WeakPolarHBondContact O-CA 3.3Å; C71-V99 PolarHBondContact O-N 3.33Å
72I97.9Very high92.1Very high0 Ų051 Ų510%030%0.295CS..EExtended strand (participates in β ladder)trans-89.7123.7169.3-62.6176.2000108.3L8 F9 P11 A14 A18 L21 Y52 V99 V101 I104L8-I72 HydrophobicContact CD1-CD1 4.14Å; L8-I72 HydrophobicContact CD1-CG1 4.11Å; F9-I72 PolarHBondContact O-N 3.24Å; P11-I72 VanDerWaalsContact CD-O 3.29Å; P11-I72 WeakPolarHBondContact CD-O 3.29Å; A14-I72 HydrophobicContact CB-CG2 4.1Å; A18-I72 HydrophobicContact CB-CD1 3.47Å; A18-I72 VanDerWaalsContact CB-CD1 3.47Å; L21-I72 HydrophobicContact CD2-CD1 4.43Å; Y52-I72 PolarHBondContact OH-O 2.93Å; I72-V99 CarbonylContact C-O 3.57Å; I72-V99 VanDerWaalsContact CA-O 3.29Å; I72-V99 WeakPolarHBondContact CA-O 3.45Å; I72-V101 HydrophobicContact CG2-CB 4.19Å; I72-I104 HydrophobicContact CD1-CD1 3.97Å; I72-I104 HydrophobicContact CG1-CD1 4.37Å; I72-I104 HydrophobicContact CG2-CD1 4.37Å
73I96.9Very high92.6Very high10 Ų1048 Ų485%0.05127%0.27CS..EExtended strand (participates in β ladder)trans-114.3154.317964.4166.8000111.8Y52 L80 I84 V98 V99 V101Y52-I73 HydrophobicContact CE1-CG2 4.2Å; I73-L80 HydrophobicContact CB-CD2 4.01Å; I73-L80 HydrophobicContact CG2-CD2 3.55Å; I73-L80 HydrophobicContact CG2-CG 4.11Å; I73-I84 HydrophobicContact CG2-CD1 4.2Å; I73-V98 HydrophobicContact CB-CG1 4.38Å; I73-V98 HydrophobicContact CD1-CG1 3.69Å; I73-V98 HydrophobicContact CG1-CG1 3.81Å; I73-V98 HydrophobicContact CG2-CG1 3.7Å; I73-V99 PolarHBondContact N-O 2.68Å; I73-V101 PolarHBondContact O-N 3Å
74M94.3Very high93.8Very high36 Ų3643.8 Ų43.818%0.17725%0.25CS..SBendtrans-101.1116.1-178.2-56.9-63.2-6100110.4P11 R13 A14 R77 V101P11-M74 HydrophobicContact CB-CG 4.47Å; P11-M74 HydrophobicContact CG-CG 3.91Å; P11-M74 HydrophobicContact CG-SD 4.46Å; R13-M74 HydrophobicContact CG-CE 4.05Å; R13-M74 HydrophobicContact CG-SD 4.31Å; R13-M74 VanDerWaalsContact NH2-CB 3.25Å; A14-M74 HydrophobicContact CB-SD 4Å; M74-R77 WeakPolarHBondContact O-CG 3.29Å; M74-V101 HydrophobicContact CE-CB 4.42Å; M74-V101 HydrophobicContact CE-CG1 3.76Å; M74-V101 HydrophobicContact CE-CG2 4.44Å; M74-V101 HydrophobicContact SD-CB 3.87Å; M74-V101 HydrophobicContact SD-CG1 3.7Å; M74-V101 HydrophobicContact SD-CG2 4.14Å
75G89.6Confident95.1Very high14 Ų1441.8 Ų41.814%0.14422%0.218CC..SBendtrans71.7177.617800000114R77 N100G75-R77 PolarHBondContact O-N 2.77Å; G75-N100 VanDerWaalsContact C-ND2 3.25Å; G75-N100 PolarHBondContact O-ND2 2.64Å
76P89.6Confident95.6Very high93 Ų9340.5 Ų40.560%0.60421%0.213SC*.SBendtrans-78.184.1-178.732.1-33.2000110.4
77R91.9Very high95.8Very high71 Ų7139.6 Ų39.627%0.26821%0.208SC..  trans-10777.4-177-70.6-70.5-58.4-93.93.7110.9M74 G75 D79 L80 Y81M74-R77 WeakPolarHBondContact O-CG 3.29Å; G75-R77 PolarHBondContact O-N 2.77Å; R77-D79 WeakPolarHBondContact CA-OD1 3.33Å; R77-D79 WeakPolarHBondContact CB-OD1 3.38Å; R77-D79 IonicContact CZ-OD1 3.79Å; R77-D79 IonicContact CZ-OD2 2.76Å; R77-D79 IonicContact NE-OD1 3.79Å; R77-D79 PolarHBondContact NE-OD1 2.52Å; R77-D79 IonicContact NE-OD2 3.37Å; R77-D79 PolarHBondContact NE-OD2 2.81Å; R77-D79 VanDerWaalsContact NE-OD2 3.13Å; R77-D79 IonicContact NH2-OD1 4Å; R77-D79 IonicContact NH2-OD2 2.89Å; R77-D79 PolarHBondContact NH2-OD2 3.4Å; R77-D79 PolarHBondContact O-N 2.93Å; R77-L80 HydrophobicContact CB-CB 3.79Å; R77-L80 HydrophobicContact CB-CD2 4.43Å; R77-L80 PolarHBondContact O-N 2.99Å; R77-Y81 PolarHBondContact O-N 3.19Å
78D93.5Very high95.9Very high131 Ų13137 Ų3770%0.70120%0.196SC*.Hα-helixtrans-64.6-30.4-179.2-66.8-23.5000112.4Y81 G82D78-Y81 PolarHBondContact O-N 3.04Å; D78-G82 PolarHBondContact O-N 3.34Å
79D95.5Very high95.7Very high78 Ų7841.1 Ų41.142%0.41722%0.224SC..Hα-helixtrans-58.2-49.3170.760.9-28.3000112I49 R77 A83I49-D79 HydrophobicContact CD1-CB 3.99Å; R77-D79 WeakPolarHBondContact CA-OD1 3.33Å; R77-D79 WeakPolarHBondContact CB-OD1 3.38Å; R77-D79 IonicContact CZ-OD1 3.79Å; R77-D79 IonicContact CZ-OD2 2.76Å; R77-D79 IonicContact NE-OD1 3.79Å; R77-D79 PolarHBondContact NE-OD1 2.52Å; R77-D79 IonicContact NE-OD2 3.37Å; R77-D79 PolarHBondContact NE-OD2 2.81Å; R77-D79 VanDerWaalsContact NE-OD2 3.13Å; R77-D79 IonicContact NH2-OD1 4Å; R77-D79 IonicContact NH2-OD2 2.89Å; R77-D79 PolarHBondContact NH2-OD2 3.4Å; R77-D79 PolarHBondContact O-N 2.93Å; D79-A83 WeakPolarHBondContact O-CB 3.14Å; D79-A83 PolarHBondContact O-N 3.15Å
80L96.9Very high95.5Very high1 Ų146.2 Ų46.21%0.00526%0.255CS..Hα-helixtrans-68.8-43.1177.8178.160000111.4I49 Y52 I73 R77 G82 A83 I84I49-L80 HydrophobicContact CB-CD1 4.3Å; I49-L80 HydrophobicContact CG1-CB 4.19Å; I49-L80 HydrophobicContact CG1-CD1 3.98Å; I49-L80 HydrophobicContact CG2-CD1 4.5Å; Y52-L80 HydrophobicContact CD1-CD1 4.49Å; Y52-L80 HydrophobicContact CD2-CD1 3.6Å; Y52-L80 HydrophobicContact CD2-CD2 3.98Å; Y52-L80 HydrophobicContact CD2-CG 4.41Å; Y52-L80 HydrophobicContact CE2-CD1 4.16Å; Y52-L80 HydrophobicContact CE2-CD2 3.65Å; Y52-L80 HydrophobicContact CG-CD1 3.78Å; I73-L80 HydrophobicContact CB-CD2 4.01Å; I73-L80 HydrophobicContact CG2-CD2 3.55Å; I73-L80 HydrophobicContact CG2-CG 4.11Å; R77-L80 HydrophobicContact CB-CB 3.79Å; R77-L80 HydrophobicContact CB-CD2 4.43Å; R77-L80 PolarHBondContact O-N 2.99Å; L80-G82 VanDerWaalsContact C-N 3.34Å; L80-G82 PolarHBondContact O-N 3.43Å; L80-A83 PolarHBondContact O-N 2.98Å; L80-I84 HydrophobicContact CD1-CD1 3.95Å; L80-I84 HydrophobicContact CD1-CG1 4.18Å; L80-I84 HydrophobicContact CG-CD1 3.94Å; L80-I84 WeakPolarHBondContact O-CG1 3.36Å; L80-I84 PolarHBondContact O-N 3.41Å
81Y96.6Very high95.3Very high109 Ų10951.4 Ų51.443%0.42728%0.279SS..Hα-helixtrans-56.7-49.4174.9176.7-92.1000110.9R77 D78 A83 I84 K85 V98R77-Y81 PolarHBondContact O-N 3.19Å; D78-Y81 PolarHBondContact O-N 3.04Å; Y81-A83 PolarHBondContact O-N 3.38Å; Y81-I84 PolarHBondContact O-N 3.07Å; Y81-K85 HydrophobicContact CD1-CG 4.21Å; Y81-K85 HydrophobicContact CE1-CG 3.81Å; Y81-K85 HydrophobicContact CE2-CG 4.19Å; Y81-K85 WeakPolarHBondContact O-CB 3.36Å; Y81-K85 VanDerWaalsContact O-CG 3.31Å; Y81-K85 WeakPolarHBondContact O-CG 3.47Å; Y81-K85 PolarHBondContact O-N 3.34Å; Y81-K85 WeakPolarHBondContact OH-CE 3.31Å; Y81-V98 HydrophobicContact CD2-CB 3.76Å; Y81-V98 HydrophobicContact CD2-CG1 3.97Å; Y81-V98 HydrophobicContact CD2-CG2 3.88Å; Y81-V98 HydrophobicContact CE2-CB 3.99Å; Y81-V98 HydrophobicContact CE2-CG2 4.09Å
82G96.7Very high95Very high36 Ų3652.9 Ų52.937%0.37129%0.29SS..Hα-helixtrans-60.3-42.1177.700000112.5D78 L80 K85 K86D78-G82 PolarHBondContact O-N 3.34Å; L80-G82 VanDerWaalsContact C-N 3.34Å; L80-G82 PolarHBondContact O-N 3.43Å; G82-K85 PolarHBondContact O-N 2.92Å; G82-K86 VanDerWaalsContact O-CB 3.3Å; G82-K86 WeakPolarHBondContact O-CB 3.26Å; G82-K86 PolarHBondContact O-N 2.83Å
83A97.6Very high94.8Very high23 Ų2358.1 Ų58.119%0.1932%0.324CS..Hα-helixtrans-64.9-46.1177.400000112.9I49 V53 D79 L80 Y81 K85 K86 L87I49-A83 HydrophobicContact CG2-CB 3.37Å; V53-A83 HydrophobicContact CG2-CB 4.21Å; D79-A83 WeakPolarHBondContact O-CB 3.14Å; D79-A83 PolarHBondContact O-N 3.15Å; L80-A83 PolarHBondContact O-N 2.98Å; Y81-A83 PolarHBondContact O-N 3.38Å; A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 2.84Å; A83-K86 PolarHBondContact O-N 2.8Å; A83-L87 PolarHBondContact O-N 2.83Å
84I97.9Very high94.8Very high0 Ų058.3 Ų58.30%033%0.325CS..Hα-helixtrans-60.7-44.1176.1-68167.4000110.2Y52 I56 C71 I73 L80 Y81 L87 C88 V98Y52-I84 HydrophobicContact CD1-CD1 3.82Å; Y52-I84 HydrophobicContact CE1-CD1 4.37Å; Y52-I84 HydrophobicContact CG-CD1 4.3Å; I56-I84 HydrophobicContact CD1-CG1 4.19Å; I56-I84 HydrophobicContact CD1-CG2 4.25Å; C71-I84 HydrophobicContact CB-CD1 3.99Å; I73-I84 HydrophobicContact CG2-CD1 4.2Å; L80-I84 HydrophobicContact CD1-CD1 3.95Å; L80-I84 HydrophobicContact CD1-CG1 4.18Å; L80-I84 HydrophobicContact CG-CD1 3.94Å; L80-I84 WeakPolarHBondContact O-CG1 3.36Å; L80-I84 PolarHBondContact O-N 3.41Å; Y81-I84 PolarHBondContact O-N 3.07Å; I84-L87 PolarHBondContact O-N 3.37Å; I84-C88 WeakPolarHBondContact O-CB 3.26Å; I84-C88 PolarHBondContact O-N 3.43Å; I84-C88 PolarHBondContact O-SG 3.02Å; I84-V98 HydrophobicContact CB-CG2 4.49Å; I84-V98 HydrophobicContact CD1-CG2 4.44Å; I84-V98 HydrophobicContact CG2-CG2 3.99Å
85K96.8Very high94.9Very high39 Ų3959 Ų5917%0.1733%0.332CS..Hα-helixtrans-66.3-41.3178.6-72.1-68.3173.8-168.80112.5Y81 G82 A83 L87 C88 C89 S96Y81-K85 HydrophobicContact CD1-CG 4.21Å; Y81-K85 HydrophobicContact CE1-CG 3.81Å; Y81-K85 HydrophobicContact CE2-CG 4.19Å; Y81-K85 WeakPolarHBondContact O-CB 3.36Å; Y81-K85 VanDerWaalsContact O-CG 3.31Å; Y81-K85 WeakPolarHBondContact O-CG 3.47Å; Y81-K85 PolarHBondContact O-N 3.34Å; Y81-K85 WeakPolarHBondContact OH-CE 3.31Å; G82-K85 PolarHBondContact O-N 2.92Å; A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 2.84Å; K85-L87 VanDerWaalsContact C-N 3.33Å; K85-L87 PolarHBondContact O-N 2.84Å; K85-C88 PolarHBondContact O-N 3.43Å; K85-C89 WeakPolarHBondContact O-CB 3.26Å; K85-C89 PolarHBondContact O-N 3.19Å; K85-C89 PolarHBondContact O-SG 2.8Å; K85-C89 VanDerWaalsContact O-SG 3.36Å; K85-S96 PolarHBondContact NZ-O 3.46Å; K85-S96 PolarHBondContact NZ-OG 3.02Å
86K96.5Very high95.3Very high133 Ų13358.5 Ų58.558%0.57833%0.326SS*.Hα-helixtrans-60.2-44.3174.7-175.2178.4178.6-176.50111.2G82 A83 V90G82-K86 VanDerWaalsContact O-CB 3.3Å; G82-K86 WeakPolarHBondContact O-CB 3.26Å; G82-K86 PolarHBondContact O-N 2.83Å; A83-K86 PolarHBondContact O-N 2.8Å; K86-V90 VanDerWaalsContact O-CB 3.26Å; K86-V90 WeakPolarHBondContact O-CB 3.21Å; K86-V90 PolarHBondContact O-N 2.86Å; K86-V90 VanDerWaalsContact O-N 3.08Å
87L97.1Very high95.7Very high0 Ų054.8 Ų54.80%030%0.301CS..Iπ-helixtrans-58.9-57.4175176.565.7000110.7V53 I56 Q57 A83 I84 K85 C89 Q91 S92V53-L87 HydrophobicContact CB-CD2 4.43Å; V53-L87 HydrophobicContact CG1-CD1 4.46Å; V53-L87 HydrophobicContact CG1-CD2 4.15Å; V53-L87 WeakPolarHBondContact O-CD2 3.49Å; I56-L87 HydrophobicContact CB-CD2 3.73Å; I56-L87 HydrophobicContact CD1-CD2 4.45Å; I56-L87 HydrophobicContact CG2-CD2 3.61Å; Q57-L87 HydrophobicContact CB-CD1 4.33Å; A83-L87 PolarHBondContact O-N 2.83Å; I84-L87 PolarHBondContact O-N 3.37Å; K85-L87 VanDerWaalsContact C-N 3.33Å; K85-L87 PolarHBondContact O-N 2.84Å; L87-C89 PolarHBondContact O-N 2.84Å; L87-Q91 HydrophobicContact CD1-CB 4.02Å; L87-Q91 PolarHBondContact O-N 3.41Å; L87-S92 PolarHBondContact O-N 2.79Å
88C96.6Very high96Very high2 Ų252.2 Ų52.21%0.01429%0.293CS..Iπ-helixtrans-75.2-19-170.6-59.10000114.5I84 K85 S92 P93 V94I84-C88 WeakPolarHBondContact O-CB 3.26Å; I84-C88 PolarHBondContact O-N 3.43Å; I84-C88 PolarHBondContact O-SG 3.02Å; K85-C88 PolarHBondContact O-N 3.43Å; C88-S92 WeakPolarHBondContact CA-O 3.49Å; C88-P93 CarbonylContact O-C 3.55Å; C88-P93 VanDerWaalsContact O-CA 3.22Å; C88-P93 WeakPolarHBondContact O-CA 3.46Å; C88-V94 HydrophobicContact CB-CG1 3.98Å; C88-V94 WeakPolarHBondContact CB-O 3.18Å; C88-V94 PolarHBondContact O-N 2.92Å
89C94.4Very high96.2Very high86 Ų8646.2 Ų46.258%0.58126%0.262SS*.Iπ-helixtrans-102.4-20.6179.6-62.50000113.4K85 L87K85-C89 WeakPolarHBondContact O-CB 3.26Å; K85-C89 PolarHBondContact O-N 3.19Å; K85-C89 PolarHBondContact O-SG 2.8Å; K85-C89 VanDerWaalsContact O-SG 3.36Å; L87-C89 PolarHBondContact O-N 2.84Å
90V92.8Very high96.2Very high107 Ų10744.1 Ų44.165%0.64825%0.25SS*.Iπ-helixtrans-122.4-47.8-172.6-1740000112.5K86K86-V90 VanDerWaalsContact O-CB 3.26Å; K86-V90 WeakPolarHBondContact O-CB 3.21Å; K86-V90 PolarHBondContact O-N 2.86Å; K86-V90 VanDerWaalsContact O-N 3.08Å
91Q93.3Very high96.1Very high111 Ų11144.9 Ų44.952%0.51926%0.255SS..Iπ-helixtrans-92.7-38.6-169.9-65.8174.3-33.400112.8L87L87-Q91 HydrophobicContact CD1-CB 4.02Å; L87-Q91 PolarHBondContact O-N 3.41Å
92S93.6Very high96Very high31 Ų3147.8 Ų47.822%0.21727%0.265CS..SBendtrans-140.782.6179.9-57.70000108.6L87 C88 V94L87-S92 PolarHBondContact O-N 2.79Å; C88-S92 WeakPolarHBondContact CA-O 3.49Å; S92-V94 PolarHBondContact O-N 2.93Å; S92-V94 VanDerWaalsContact O-N 3.11Å
93P93.8Very high95.7Very high110 Ų11049.3 Ų49.371%0.71427%0.268SS*.  trans-56.8113.3-171.4-28.337.3000113.4C88C88-P93 CarbonylContact O-C 3.55Å; C88-P93 VanDerWaalsContact O-CA 3.22Å; C88-P93 WeakPolarHBondContact O-CA 3.46Å
94V95.8Very high95.5Very high14 Ų1448.2 Ų48.29%0.08526%0.258CS..  trans-155138.6174.166.20000109.9L60 I66 V69 C88 S92 S96L60-V94 HydrophobicContact CD1-CG1 3.77Å; L60-V94 HydrophobicContact CD2-CB 4.3Å; L60-V94 HydrophobicContact CD2-CG1 4.05Å; L60-V94 HydrophobicContact CD2-CG2 4.26Å; I66-V94 HydrophobicContact CG2-CG2 4.34Å; V69-V94 HydrophobicContact CB-CG1 4.39Å; V69-V94 HydrophobicContact CG2-CG1 3.81Å; V69-V94 HydrophobicContact CG2-CG2 4.32Å; C88-V94 HydrophobicContact CB-CG1 3.98Å; C88-V94 WeakPolarHBondContact CB-O 3.18Å; C88-V94 PolarHBondContact O-N 2.92Å; S92-V94 PolarHBondContact O-N 2.93Å; S92-V94 VanDerWaalsContact O-N 3.11Å; V94-S96 PolarHBondContact O-N 3.12Å
95P96.9Very high95.1Very high49 Ų4950 Ų5032%0.31828%0.277SS..  trans-51.4132.6169.1-28.736.3000111.7Q67 M68 V69 K124Q67-P95 WeakPolarHBondContact O-CD 3.42Å; M68-P95 WeakPolarHBondContact CA-O 3.26Å; M68-P95 HydrophobicContact CE-CB 4.34Å; M68-P95 HydrophobicContact CG-CB 4.29Å; M68-P95 WeakPolarHBondContact CG-O 3.43Å; V69-P95 PolarHBondContact N-O 3.41Å; P95-K124 HydrophobicContact CB-CB 4.27Å
96S97.9Very high94.8Very high4 Ų452.2 Ų52.23%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-131.9137.8-178.254.40000113.3V69 K85 V94 K124V69-S96 CarbonylContact O-C 3.18Å; V69-S96 WeakPolarHBondContact O-CA 3.4Å; K85-S96 PolarHBondContact NZ-O 3.46Å; K85-S96 PolarHBondContact NZ-OG 3.02Å; V94-S96 PolarHBondContact O-N 3.12Å; S96-K124 PolarHBondContact O-NZ 2.68Å
97Q97.9Very high94.4Very high15 Ų1550.5 Ų50.57%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-120.1119.3172-178.16543.900109.4M68 V69 V70 C71 V99 I117 I121M68-Q97 HydrophobicContact CE-CB 3.74Å; V69-Q97 PolarHBondContact O-N 3.46Å; V70-Q97 CarbonylContact C-O 3.54Å; V70-Q97 VanDerWaalsContact CA-O 3.26Å; V70-Q97 WeakPolarHBondContact CA-O 3.47Å; V70-Q97 HydrophobicContact CG1-CB 4.36Å; V70-Q97 HydrophobicContact CG2-CB 4.18Å; C71-Q97 PolarHBondContact N-O 3.34Å; Q97-V99 HydrophobicContact CG-CG2 3.92Å; Q97-I117 HydrophobicContact CG-CG2 4.14Å; Q97-I121 HydrophobicContact CB-CG1 4.48Å
98V97.8Very high94.2Very high18 Ų1856.8 Ų56.811%0.10933%0.329CS..EExtended strand (participates in β ladder)trans-101.6132.4173.4-174.70000107.7C71 I73 Y81 I84C71-V98 CarbonylContact O-C 3.55Å; C71-V98 WeakPolarHBondContact O-CA 3.3Å; I73-V98 HydrophobicContact CB-CG1 4.38Å; I73-V98 HydrophobicContact CD1-CG1 3.69Å; I73-V98 HydrophobicContact CG1-CG1 3.81Å; I73-V98 HydrophobicContact CG2-CG1 3.7Å; Y81-V98 HydrophobicContact CD2-CB 3.76Å; Y81-V98 HydrophobicContact CD2-CG1 3.97Å; Y81-V98 HydrophobicContact CD2-CG2 3.88Å; Y81-V98 HydrophobicContact CE2-CB 3.99Å; Y81-V98 HydrophobicContact CE2-CG2 4.09Å; I84-V98 HydrophobicContact CB-CG2 4.49Å; I84-V98 HydrophobicContact CD1-CG2 4.44Å; I84-V98 HydrophobicContact CG2-CG2 3.99Å
99V97.3Very high94Very high5 Ų564 Ų643%0.0336%0.356CS..EExtended strand (participates in β ladder)trans-125.4125.6-176.8-176.80000108.3L21 V70 C71 I72 I73 Q97 I104 I117L21-V99 HydrophobicContact CD2-CG1 4.33Å; L21-V99 HydrophobicContact CD2-CG2 4.47Å; V70-V99 HydrophobicContact CG1-CG2 4.27Å; C71-V99 PolarHBondContact O-N 3.33Å; I72-V99 CarbonylContact C-O 3.57Å; I72-V99 VanDerWaalsContact CA-O 3.29Å; I72-V99 WeakPolarHBondContact CA-O 3.45Å; I73-V99 PolarHBondContact N-O 2.68Å; Q97-V99 HydrophobicContact CG-CG2 3.92Å; V99-I104 HydrophobicContact CG1-CD1 4.18Å; V99-I104 HydrophobicContact CG1-CG1 4.39Å; V99-I104 HydrophobicContact CG1-CG2 3.57Å; V99-I117 HydrophobicContact CG1-CD1 3.92Å; V99-I117 HydrophobicContact CG2-CD1 3.9Å
100N95.8Very high94Very high33 Ų3360.2 Ų60.218%0.17633%0.33CS..EExtended strand (participates in β ladder)trans-78.2132.7173.2-160.6-55.1000109.6G75 R102 T103G75-N100 VanDerWaalsContact C-ND2 3.25Å; G75-N100 PolarHBondContact O-ND2 2.64Å; N100-R102 PolarHBondContact O-N 3.18Å; N100-R102 VanDerWaalsContact O-N 3.12Å; N100-R102 WeakPolarHBondContact OD1-CB 3.47Å; N100-R102 PolarHBondContact OD1-N 3.43Å; N100-T103 WeakPolarHBondContact O-CB 3.37Å; N100-T103 PolarHBondContact O-N 3.43Å; N100-T103 PolarHBondContact O-OG1 3.2Å
101V95.6Very high94.1Very high18 Ų1863.6 Ų63.611%0.10933%0.331CS..Hα-helixtrans-53.9-34.117674.30000112A14 Q17 I72 I73 M74 T103 I104 G105A14-V101 HydrophobicContact CB-CG2 4.25Å; Q17-V101 HydrophobicContact CB-CG2 4.18Å; Q17-V101 HydrophobicContact CG-CG2 3.96Å; I72-V101 HydrophobicContact CG2-CB 4.19Å; I73-V101 PolarHBondContact O-N 3Å; M74-V101 HydrophobicContact CE-CB 4.42Å; M74-V101 HydrophobicContact CE-CG1 3.76Å; M74-V101 HydrophobicContact CE-CG2 4.44Å; M74-V101 HydrophobicContact SD-CB 3.87Å; M74-V101 HydrophobicContact SD-CG1 3.7Å; M74-V101 HydrophobicContact SD-CG2 4.14Å; V101-T103 PolarHBondContact O-N 2.89Å; V101-I104 WeakPolarHBondContact O-CG1 3.42Å; V101-I104 PolarHBondContact O-N 3.42Å; V101-G105 PolarHBondContact O-N 2.68Å
102R93.1Very high94.3Very high169 Ų16961.3 Ų61.364%0.63833%0.327SS*.Hα-helixtrans-63.2-29.5178.5-66.6-177.9178.6179.5-0.2112.7N100N100-R102 PolarHBondContact O-N 3.18Å; N100-R102 VanDerWaalsContact O-N 3.12Å; N100-R102 WeakPolarHBondContact OD1-CB 3.47Å; N100-R102 PolarHBondContact OD1-N 3.43Å
103T91.3Very high94.4Very high69 Ų6961 Ų6142%0.42332%0.324SS..Hα-helixtrans-75.6-30.1-179.5-45.50000111.6N100 V101 V113N100-T103 WeakPolarHBondContact O-CB 3.37Å; N100-T103 PolarHBondContact O-N 3.43Å; N100-T103 PolarHBondContact O-OG1 3.2Å; V101-T103 PolarHBondContact O-N 2.89Å; T103-V113 HydrophobicContact CG2-CB 4.49Å; T103-V113 HydrophobicContact CG2-CG1 3.63Å; T103-V113 HydrophobicContact CG2-CG2 3.98Å
104I93.8Very high94.6Very high0 Ų055.8 Ų55.80%029%0.29CS..Hα-helixtrans-102.9-14.1-177.758.8172.9000113.5Q17 L21 I72 V99 V101 Q106 L110 V113 I117Q17-I104 HydrophobicContact CB-CD1 3.88Å; Q17-I104 HydrophobicContact CB-CG1 4.16Å; L21-I104 HydrophobicContact CB-CD1 4.27Å; L21-I104 HydrophobicContact CD1-CG2 4Å; L21-I104 HydrophobicContact CD2-CD1 4.1Å; L21-I104 HydrophobicContact CD2-CG2 4.34Å; I72-I104 HydrophobicContact CD1-CD1 3.97Å; I72-I104 HydrophobicContact CG1-CD1 4.37Å; I72-I104 HydrophobicContact CG2-CD1 4.37Å; V99-I104 HydrophobicContact CG1-CD1 4.18Å; V99-I104 HydrophobicContact CG1-CG1 4.39Å; V99-I104 HydrophobicContact CG1-CG2 3.57Å; V101-I104 WeakPolarHBondContact O-CG1 3.42Å; V101-I104 PolarHBondContact O-N 3.42Å; I104-Q106 PolarHBondContact O-N 3.32Å; I104-L110 HydrophobicContact CB-CD1 3.95Å; I104-L110 HydrophobicContact CG2-CD1 4.15Å; I104-V113 HydrophobicContact CG2-CG1 4.01Å; I104-I117 HydrophobicContact CG2-CD1 4.36Å
105G90Very high94.6Very high38 Ų3859.2 Ų59.239%0.39231%0.305SS..SBendtrans-75.94.9-179.700000115.5V101V101-G105 PolarHBondContact O-N 2.68Å
106Q90.4Very high94.6Very high85 Ų8563.6 Ų63.640%0.39732%0.319SS..  trans-109.4102.5176.1-66.7-177.51900109.8I104 T108 R109 L110I104-Q106 PolarHBondContact O-N 3.32Å; Q106-T108 VanDerWaalsContact C-N 3.26Å; Q106-T108 PolarHBondContact O-N 3.11Å; Q106-T108 VanDerWaalsContact O-N 3.15Å; Q106-R109 HydrophobicContact CB-CB 4.32Å; Q106-R109 PolarHBondContact O-N 2.92Å; Q106-R109 VanDerWaalsContact OE1-CD 3.25Å; Q106-L110 PolarHBondContact O-N 2.97Å
107P88.3Confident94.6Very high96 Ų9664 Ų6462%0.62332%0.321SS*.Hα-helixtrans-55.8-37.6-173.8-2935.6000114R109 L110P107-R109 PolarHBondContact O-N 3.46Å; P107-L110 PolarHBondContact O-N 2.89Å
108T90.9Very high94.5Very high133 Ų13363.3 Ų63.382%0.81632%0.318SS*.Hα-helixtrans-64.5-26.8179.355.20000113.4Q106Q106-T108 VanDerWaalsContact C-N 3.26Å; Q106-T108 PolarHBondContact O-N 3.11Å; Q106-T108 VanDerWaalsContact O-N 3.15Å
109R93.1Very high94.4Very high152 Ų15264.7 Ų64.757%0.57432%0.324SS*.Hα-helixtrans-103.3-13.2-179.7-60.8-171.8-177173.1-3113.2Q106 P107 R111 S112 V113Q106-R109 HydrophobicContact CB-CB 4.32Å; Q106-R109 PolarHBondContact O-N 2.92Å; Q106-R109 VanDerWaalsContact OE1-CD 3.25Å; P107-R109 PolarHBondContact O-N 3.46Å; R109-R111 VanDerWaalsContact C-N 3.26Å; R109-R111 PolarHBondContact O-N 3.07Å; R109-S112 PolarHBondContact O-N 3.37Å; R109-S112 PolarHBondContact O-OG 3.07Å; R109-S112 VanDerWaalsContact O-OG 3.04Å; R109-V113 HydrophobicContact CB-CG2 4.48Å; R109-V113 WeakPolarHBondContact O-CG2 3.26Å; R109-V113 PolarHBondContact O-N 3.38Å; R109-V113 VanDerWaalsContact O-N 3.08Å
110L95.2Very high94.4Very high8 Ų869.2 Ų69.24%0.04235%0.345CS..Hα-helixtrans-54.3-41.5-173.217960.5000112.4E20 L21 M24 I104 Q106 P107 V113 A114E20-L110 HydrophobicContact CB-CD2 3.87Å; L21-L110 HydrophobicContact CD1-CD1 4.42Å; M24-L110 HydrophobicContact CB-CD2 4.29Å; M24-L110 HydrophobicContact CB-CG 4.23Å; M24-L110 HydrophobicContact CE-CD2 4.2Å; M24-L110 HydrophobicContact CE-CG 4.37Å; M24-L110 HydrophobicContact CG-CG 4.18Å; I104-L110 HydrophobicContact CB-CD1 3.95Å; I104-L110 HydrophobicContact CG2-CD1 4.15Å; Q106-L110 PolarHBondContact O-N 2.97Å; P107-L110 PolarHBondContact O-N 2.89Å; L110-V113 PolarHBondContact O-N 3.48Å; L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 3.33Å
111R95.3Very high94.4Very high178 Ų17867.6 Ų67.667%0.67234%0.336SS*.Hα-helixtrans-60.7-49.1179.9-173.8177.5-179166.20.8112.8M24 I28 R109 A114 Q115M24-R111 HydrophobicContact CE-CB 4.49Å; M24-R111 HydrophobicContact SD-CB 4.03Å; M24-R111 HydrophobicContact SD-CG 4.08Å; I28-R111 HydrophobicContact CD1-CG 4.01Å; I28-R111 WeakPolarHBondContact CD1-O 3.24Å; R109-R111 VanDerWaalsContact C-N 3.26Å; R109-R111 PolarHBondContact O-N 3.07Å; R111-A114 PolarHBondContact O-N 3.46Å; R111-Q115 WeakPolarHBondContact O-CB 3.46Å; R111-Q115 PolarHBondContact O-N 2.96Å
112S95.9Very high94.4Very high63 Ų6367.4 Ų67.444%0.44134%0.335SS..Hα-helixtrans-71-34.2-177.964.40000112R109 K116R109-S112 PolarHBondContact O-N 3.37Å; R109-S112 PolarHBondContact O-OG 3.07Å; R109-S112 VanDerWaalsContact O-OG 3.04Å; S112-K116 WeakPolarHBondContact O-CG 3.35Å; S112-K116 PolarHBondContact O-N 2.9Å; S112-K116 VanDerWaalsContact O-N 3.17Å
113V96.7Very high94.6Very high24 Ų2462.3 Ų62.315%0.14533%0.325CS..Hα-helixtrans-65.4-50.7172.9169.40000110.9T103 I104 R109 L110 Q115 K116 I117T103-V113 HydrophobicContact CG2-CB 4.49Å; T103-V113 HydrophobicContact CG2-CG1 3.63Å; T103-V113 HydrophobicContact CG2-CG2 3.98Å; I104-V113 HydrophobicContact CG2-CG1 4.01Å; R109-V113 HydrophobicContact CB-CG2 4.48Å; R109-V113 WeakPolarHBondContact O-CG2 3.26Å; R109-V113 PolarHBondContact O-N 3.38Å; R109-V113 VanDerWaalsContact O-N 3.08Å; L110-V113 PolarHBondContact O-N 3.48Å; V113-Q115 VanDerWaalsContact C-N 3.31Å; V113-Q115 PolarHBondContact O-N 3.3Å; V113-K116 PolarHBondContact O-N 3.37Å; V113-K116 VanDerWaalsContact O-N 3.13Å; V113-I117 HydrophobicContact CG1-CD1 3.72Å; V113-I117 HydrophobicContact CG1-CG1 4.4Å; V113-I117 WeakPolarHBondContact O-CG1 3.3Å; V113-I117 PolarHBondContact O-N 3.33Å
114A97Very high94.8Very high0 Ų062.8 Ų62.80%032%0.321CS..Hα-helixtrans-60.8-40.3179.400000111.4L21 M24 L25 I28 L110 R111 K116 I117 L118L21-A114 HydrophobicContact CD1-CB 4.2Å; M24-A114 HydrophobicContact CB-CB 4.02Å; M24-A114 HydrophobicContact CG-CB 3.47Å; M24-A114 VanDerWaalsContact CG-CB 3.47Å; L25-A114 HydrophobicContact CD2-CB 4.13Å; L25-A114 WeakPolarHBondContact CD2-O 3.3Å; L25-A114 HydrophobicContact CG-CB 4.49Å; I28-A114 HydrophobicContact CD1-CB 3.86Å; L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 3.33Å; R111-A114 PolarHBondContact O-N 3.46Å; A114-K116 PolarHBondContact O-N 2.91Å; A114-I117 PolarHBondContact O-N 2.86Å; A114-L118 VanDerWaalsContact O-CB 3.32Å; A114-L118 WeakPolarHBondContact O-CB 3.29Å; A114-L118 PolarHBondContact O-N 2.8Å
115Q96.3Very high94.8Very high86 Ų8664.2 Ų64.240%0.40233%0.328SS..Hα-helixtrans-58.1-48.2173-176.8174.1-24.500111.6I28 I32 R111 V113 I117 L118 L119I28-Q115 HydrophobicContact CD1-CB 4.23Å; I28-Q115 HydrophobicContact CG2-CB 4.18Å; I28-Q115 HydrophobicContact CG2-CG 4.24Å; I32-Q115 HydrophobicContact CD1-CG 4.18Å; R111-Q115 WeakPolarHBondContact O-CB 3.46Å; R111-Q115 PolarHBondContact O-N 2.96Å; V113-Q115 VanDerWaalsContact C-N 3.31Å; V113-Q115 PolarHBondContact O-N 3.3Å; Q115-I117 VanDerWaalsContact C-N 3.34Å; Q115-I117 PolarHBondContact O-N 2.9Å; Q115-L118 PolarHBondContact O-N 2.86Å; Q115-L119 HydrophobicContact CG-CD1 4.19Å; Q115-L119 VanDerWaalsContact O-CG 3.23Å; Q115-L119 WeakPolarHBondContact O-CG 3.41Å; Q115-L119 PolarHBondContact O-N 3.25Å
116K97Very high94.9Very high142 Ų14264.8 Ų64.862%0.61733%0.334SS*.Hα-helixtrans-62.3-41.3177.3-71.1174.8-178.2-177.40112.2S112 V113 A114 L119 Q120S112-K116 WeakPolarHBondContact O-CG 3.35Å; S112-K116 PolarHBondContact O-N 2.9Å; S112-K116 VanDerWaalsContact O-N 3.17Å; V113-K116 PolarHBondContact O-N 3.37Å; V113-K116 VanDerWaalsContact O-N 3.13Å; A114-K116 PolarHBondContact O-N 2.91Å; K116-L119 PolarHBondContact O-N 3.21Å; K116-Q120 WeakPolarHBondContact O-CG 3.39Å; K116-Q120 PolarHBondContact O-N 3.39Å
117I97.3Very high95Very high12 Ų1261.2 Ų61.26%0.06232%0.32CS..Hα-helixtrans-60.9-47.4175.8-71.1169.2000110.3L21 L25 Q97 V99 I104 V113 A114 Q115 L119 Q120 I121L21-I117 HydrophobicContact CD1-CD1 4.11Å; L25-I117 HydrophobicContact CD2-CB 4.39Å; L25-I117 HydrophobicContact CD2-CG2 4.11Å; Q97-I117 HydrophobicContact CG-CG2 4.14Å; V99-I117 HydrophobicContact CG1-CD1 3.92Å; V99-I117 HydrophobicContact CG2-CD1 3.9Å; I104-I117 HydrophobicContact CG2-CD1 4.36Å; V113-I117 HydrophobicContact CG1-CD1 3.72Å; V113-I117 HydrophobicContact CG1-CG1 4.4Å; V113-I117 WeakPolarHBondContact O-CG1 3.3Å; V113-I117 PolarHBondContact O-N 3.33Å; A114-I117 PolarHBondContact O-N 2.86Å; Q115-I117 VanDerWaalsContact C-N 3.34Å; Q115-I117 PolarHBondContact O-N 2.9Å; I117-L119 PolarHBondContact O-N 2.62Å; I117-Q120 WeakPolarHBondContact O-CB 3.13Å; I117-Q120 PolarHBondContact O-N 3.11Å; I117-I121 HydrophobicContact CG2-CD1 3.75Å; I117-I121 HydrophobicContact CG2-CG1 4.3Å; I117-I121 VanDerWaalsContact O-CG1 3.3Å; I117-I121 WeakPolarHBondContact O-CG1 3.22Å; I117-I121 PolarHBondContact O-N 3.29Å
118L96.5Very high95.2Very high1 Ų160.7 Ų60.71%0.00531%0.309CS..Hα-helixtrans-62.6-42.5-179.6-175.664.6000112.2L25 I28 A29 I32 M34 M36 A114 Q115 Q120 I121 N122L25-L118 HydrophobicContact CD2-CB 3.82Å; L25-L118 HydrophobicContact CD2-CD1 4.39Å; I28-L118 HydrophobicContact CB-CD2 4.11Å; I28-L118 HydrophobicContact CG2-CD2 3.87Å; A29-L118 HydrophobicContact CB-CD1 4.38Å; A29-L118 HydrophobicContact CB-CD2 4.03Å; I32-L118 HydrophobicContact CD1-CD2 3.89Å; M34-L118 HydrophobicContact CE-CD1 4.44Å; M34-L118 HydrophobicContact SD-CD1 3.56Å; M34-L118 VanDerWaalsContact SD-CD1 3.56Å; M34-L118 HydrophobicContact SD-CG 4.25Å; M36-L118 HydrophobicContact SD-CD1 4.25Å; A114-L118 VanDerWaalsContact O-CB 3.32Å; A114-L118 WeakPolarHBondContact O-CB 3.29Å; A114-L118 PolarHBondContact O-N 2.8Å; Q115-L118 PolarHBondContact O-N 2.86Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.22Å; L118-I121 WeakPolarHBondContact O-CB 3.34Å; L118-I121 PolarHBondContact O-N 2.96Å; L118-N122 PolarHBondContact O-N 3.33Å
119L96.3Very high95.2Very high47 Ų4757.8 Ų57.825%0.24629%0.288CS..Hα-helixtrans-61-43.4174.4-67.4171.7000111.2I32 Q115 K116 I117 N122 C123 L129I32-L119 HydrophobicContact CD1-CD2 4.12Å; I32-L119 HydrophobicContact CG2-CD2 4.35Å; Q115-L119 HydrophobicContact CG-CD1 4.19Å; Q115-L119 VanDerWaalsContact O-CG 3.23Å; Q115-L119 WeakPolarHBondContact O-CG 3.41Å; Q115-L119 PolarHBondContact O-N 3.25Å; K116-L119 PolarHBondContact O-N 3.21Å; I117-L119 PolarHBondContact O-N 2.62Å; L119-N122 PolarHBondContact O-N 3Å; L119-C123 PolarHBondContact O-N 3.01Å; L119-C123 PolarHBondContact O-SG 3.37Å; L119-L129 HydrophobicContact CB-CD1 3.87Å; L119-L129 HydrophobicContact CB-CD2 4.3Å; L119-L129 HydrophobicContact CD2-CD1 4.06Å; L119-L129 HydrophobicContact CD2-CD2 3.53Å; L119-L129 HydrophobicContact CD2-CG 4.36Å; L119-L129 HydrophobicContact CG-CD1 4.44Å
120Q96.8Very high95.2Very high99 Ų9960 Ų6046%0.46330%0.297SS..Hα-helixtrans-63.7-40.2174.7-74.5-177-7.700112.7K116 I117 L118 C123 K124K116-Q120 WeakPolarHBondContact O-CG 3.39Å; K116-Q120 PolarHBondContact O-N 3.39Å; I117-Q120 WeakPolarHBondContact O-CB 3.13Å; I117-Q120 PolarHBondContact O-N 3.11Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.22Å; Q120-C123 PolarHBondContact O-N 3.02Å; Q120-K124 WeakPolarHBondContact O-CB 3.35Å; Q120-K124 VanDerWaalsContact O-CG 3.3Å; Q120-K124 WeakPolarHBondContact O-CG 3.38Å; Q120-K124 PolarHBondContact O-N 3.13Å
121I96.8Very high94.9Very high0 Ų061.9 Ų61.90%032%0.318CS..Hα-helixtrans-59.1-49.6174.5-74.1171.5000109.7M3 M34 M68 V70 Q97 I117 L118 C123 K124 L125M3-I121 HydrophobicContact CE-CG2 4.29Å; M3-I121 HydrophobicContact SD-CG2 3.78Å; M34-I121 HydrophobicContact CE-CG2 3.84Å; M68-I121 HydrophobicContact CE-CB 4.38Å; M68-I121 HydrophobicContact CE-CG1 3.85Å; M68-I121 HydrophobicContact SD-CB 3.99Å; M68-I121 HydrophobicContact SD-CD1 4.43Å; M68-I121 HydrophobicContact SD-CG1 3.69Å; M68-I121 HydrophobicContact SD-CG2 3.58Å; M68-I121 VanDerWaalsContact SD-CG2 3.58Å; V70-I121 HydrophobicContact CG2-CD1 4.49Å; Q97-I121 HydrophobicContact CB-CG1 4.48Å; I117-I121 HydrophobicContact CG2-CD1 3.75Å; I117-I121 HydrophobicContact CG2-CG1 4.3Å; I117-I121 VanDerWaalsContact O-CG1 3.3Å; I117-I121 WeakPolarHBondContact O-CG1 3.22Å; I117-I121 PolarHBondContact O-N 3.29Å; L118-I121 WeakPolarHBondContact O-CB 3.34Å; L118-I121 PolarHBondContact O-N 2.96Å; I121-C123 VanDerWaalsContact C-N 3.34Å; I121-C123 PolarHBondContact O-N 2.78Å; I121-K124 PolarHBondContact O-N 2.93Å; I121-K124 VanDerWaalsContact O-N 3.15Å; I121-L125 HydrophobicContact CG2-CD1 3.95Å; I121-L125 WeakPolarHBondContact O-CG 3.36Å; I121-L125 PolarHBondContact O-N 2.94Å
122N95.6Very high94.7Very high13 Ų1357.8 Ų57.87%0.0731%0.313CS..Hα-helixtrans-57.9-46.2178.9-17769.8000111.3I1 M34 L118 L119 K124 L125 G126 G127 L129I1-N122 PolarHBondContact N-OD1 3.19Å; M34-N122 HydrophobicContact SD-CB 4.08Å; L118-N122 PolarHBondContact O-N 3.33Å; L119-N122 PolarHBondContact O-N 3Å; N122-K124 PolarHBondContact O-N 3.4Å; N122-L125 PolarHBondContact O-N 3.27Å; N122-G126 PolarHBondContact O-N 2.84Å; N122-G127 WeakPolarHBondContact ND2-CA 3.15Å; N122-G127 WeakPolarHBondContact O-CA 3.43Å; N122-G127 PolarHBondContact O-N 3.39Å; N122-L129 HydrophobicContact CB-CD2 4.22Å; N122-L129 VanDerWaalsContact ND2-CD2 3.35Å; N122-L129 WeakPolarHBondContact ND2-CD2 3.48Å
123C95.3Very high94.4Very high63 Ų6362.1 Ų62.143%0.42633%0.331SS..Hα-helixtrans-60.8-41.3176.2-68.90000113.2L119 Q120 I121 L125 G126 G127 L129L119-C123 PolarHBondContact O-N 3.01Å; L119-C123 PolarHBondContact O-SG 3.37Å; Q120-C123 PolarHBondContact O-N 3.02Å; I121-C123 VanDerWaalsContact C-N 3.34Å; I121-C123 PolarHBondContact O-N 2.78Å; C123-L125 PolarHBondContact O-N 2.68Å; C123-G126 PolarHBondContact O-N 2.81Å; C123-G127 WeakPolarHBondContact CA-O 3.23Å; C123-L129 WeakPolarHBondContact SG-CD1 3.38Å; C123-L129 VanDerWaalsContact SG-CG 3.55Å
124K95.6Very high94.1Very high78 Ų7863.4 Ų63.434%0.33934%0.336SS..Hα-helixtrans-67.5-24178.5-75.2172.4179.7176.20113.4M68 P95 S96 Q120 I121 N122 G126M68-K124 HydrophobicContact CE-CB 4.08Å; M68-K124 HydrophobicContact CE-CD 3.6Å; P95-K124 HydrophobicContact CB-CB 4.27Å; S96-K124 PolarHBondContact O-NZ 2.68Å; Q120-K124 WeakPolarHBondContact O-CB 3.35Å; Q120-K124 VanDerWaalsContact O-CG 3.3Å; Q120-K124 WeakPolarHBondContact O-CG 3.38Å; Q120-K124 PolarHBondContact O-N 3.13Å; I121-K124 PolarHBondContact O-N 2.93Å; I121-K124 VanDerWaalsContact O-N 3.15Å; N122-K124 PolarHBondContact O-N 3.4Å; K124-G126 VanDerWaalsContact C-N 3.26Å
125L93.9Very high93.8Very high31 Ų3169.3 Ų69.316%0.16238%0.375CS..THydrogen-bonded Turntrans-86.35.9172.4-66.3173.3000112.7I1 M3 M34 Q67 M68 I121 N122 C123I1-L125 HydrophobicContact CB-CB 4.23Å; I1-L125 HydrophobicContact CG2-CB 3.96Å; M3-L125 HydrophobicContact CB-CD1 4.05Å; M3-L125 HydrophobicContact CG-CD1 4.2Å; M3-L125 HydrophobicContact SD-CD1 4.18Å; M34-L125 HydrophobicContact CE-CD1 3.99Å; Q67-L125 HydrophobicContact CB-CD2 4.12Å; M68-L125 HydrophobicContact CB-CD2 4.45Å; I121-L125 HydrophobicContact CG2-CD1 3.95Å; I121-L125 WeakPolarHBondContact O-CG 3.36Å; I121-L125 PolarHBondContact O-N 2.94Å; N122-L125 PolarHBondContact O-N 3.27Å; C123-L125 PolarHBondContact O-N 2.68Å
126G92Very high93.5Very high50 Ų5070.3 Ų70.352%0.51538%0.382SS..THydrogen-bonded Turntrans84.313.1-17900000114.2N122 C123 K124N122-G126 PolarHBondContact O-N 2.84Å; C123-G126 PolarHBondContact O-N 2.81Å; K124-G126 VanDerWaalsContact C-N 3.26Å
127G93Very high92.9Very high9 Ų972.7 Ų72.79%0.09339%0.392CS..  trans-79149.8175.900000113.3N122 C123N122-G127 WeakPolarHBondContact ND2-CA 3.15Å; N122-G127 WeakPolarHBondContact O-CA 3.43Å; N122-G127 PolarHBondContact O-N 3.39Å; C123-G127 WeakPolarHBondContact CA-O 3.23Å
128E92.3Very high92.3Very high85 Ų8578.8 Ų78.840%0.39742%0.421SS..  trans-107.5125.3-176.7-55.4171.7-154.500108.2T169 K170E128-T169 HydrophobicContact CB-CG2 4.41Å; E128-T169 WeakPolarHBondContact OE2-CB 3.39Å; E128-T169 PolarHBondContact OE2-OG1 2.86Å; E128-K170 VanDerWaalsContact OE1-CE 3.26Å; E128-K170 WeakPolarHBondContact OE1-CE 3.3Å; E128-K170 WeakPolarHBondContact OE1-CG 3.33Å
129L91.5Very high92.2Very high73 Ų7381 Ų8138%0.38243%0.432SS..  trans-87.3-41.8-173.4-64.1-179.2000112.9L119 N122 C123L119-L129 HydrophobicContact CB-CD1 3.87Å; L119-L129 HydrophobicContact CB-CD2 4.3Å; L119-L129 HydrophobicContact CD2-CD1 4.06Å; L119-L129 HydrophobicContact CD2-CD2 3.53Å; L119-L129 HydrophobicContact CD2-CG 4.36Å; L119-L129 HydrophobicContact CG-CD1 4.44Å; N122-L129 HydrophobicContact CB-CD2 4.22Å; N122-L129 VanDerWaalsContact ND2-CD2 3.35Å; N122-L129 WeakPolarHBondContact ND2-CD2 3.48Å; C123-L129 WeakPolarHBondContact SG-CD1 3.38Å; C123-L129 VanDerWaalsContact SG-CG 3.55Å
130W92.2Very high92.1Very high198 Ų19880.9 Ų80.975%0.7543%0.431SS*.  trans-163163.4179.960.8-84.2000107.9V132 T169W130-V132 HydrophobicContact CE3-CG2 4.17Å; W130-V132 HydrophobicContact CH2-CG2 4.45Å; W130-V132 HydrophobicContact CZ3-CG2 3.48Å; W130-V132 VanDerWaalsContact CZ3-CG2 3.48Å; W130-T169 WeakPolarHBondContact O-CG2 3.37Å
131G90.4Very high92.1Very high48 Ų4879.2 Ų79.250%0.49543%0.427SS..  trans-141170.4174.100000110.4
132V90.8Very high92.1Very high92 Ų9282.1 Ų82.156%0.55844%0.443SS*.  trans-113.9146.5172.6-173.50000107.9W130 I134W130-V132 HydrophobicContact CE3-CG2 4.17Å; W130-V132 HydrophobicContact CH2-CG2 4.45Å; W130-V132 HydrophobicContact CZ3-CG2 3.48Å; W130-V132 VanDerWaalsContact CZ3-CG2 3.48Å; V132-I134 PolarHBondContact O-N 3.39Å
133D89.2Confident92.1Very high153 Ų15383.5 Ų83.582%0.81846%0.459SS*.  trans-70.9124.1170.7-173.332.6000110.1
134I89.9Confident92Very high52 Ų5284.1 Ų84.127%0.26746%0.457SS..  trans-122112.7-174.6-64.1170.7000107.4V132 L136 L139 L168V132-I134 PolarHBondContact O-N 3.39Å; I134-L136 HydrophobicContact CG2-CB 4.12Å; I134-L136 PolarHBondContact O-N 2.94Å; I134-L139 HydrophobicContact CG2-CD2 3.91Å; I134-L168 HydrophobicContact CD1-CB 4.16Å; I134-L168 HydrophobicContact CD1-CD1 3.3Å; I134-L168 HydrophobicContact CD1-CG 3.51Å
135P90.7Very high91.7Very high123 Ų12386.4 Ų86.480%0.79947%0.473SS*.  trans-73.72.4-172.430.3-36.3000113.7
136L89.6Confident91.4Very high108 Ų10886.6 Ų86.657%0.56548%0.475SS*.  trans-92.7127179.5-62.5176.2000110.4I134 L139I134-L136 HydrophobicContact CG2-CB 4.12Å; I134-L136 PolarHBondContact O-N 2.94Å; L136-L139 HydrophobicContact CB-CB 4.14Å; L136-L139 HydrophobicContact CB-CD2 4.19Å; L136-L139 HydrophobicContact CD1-CD1 4.43Å; L136-L139 HydrophobicContact CD1-CD2 3.98Å
137K84.8Confident91.2Very high191 Ų19191.1 Ų91.183%0.8348%0.478SS*.THydrogen-bonded Turntrans-86.2147.8173.6-61.8-176-179.1-178.90110.1L139K137-L139 PolarHBondContact O-N 3.04Å
138Q85.7Confident90.8Very high140 Ų14096 Ų9665%0.65450%0.498SS*.THydrogen-bonded Turntrans55.235.5175.8-61.9174.120.200113.3W203Q138-W203 HydrophobicContact CB-CZ2 4.31Å; Q138-W203 HydrophobicContact CG-CH2 3.7Å; Q138-W203 HydrophobicContact CG-CZ2 3.37Å
139L93.2Very high89.9Confident48 Ų4893.4 Ų93.425%0.25149%0.487SS..  trans-85.1128.3177.2178.665.9000110.7I134 L136 K137 V141 L168 F199I134-L139 HydrophobicContact CG2-CD2 3.91Å; L136-L139 HydrophobicContact CB-CB 4.14Å; L136-L139 HydrophobicContact CB-CD2 4.19Å; L136-L139 HydrophobicContact CD1-CD1 4.43Å; L136-L139 HydrophobicContact CD1-CD2 3.98Å; K137-L139 PolarHBondContact O-N 3.04Å; L139-V141 HydrophobicContact CD1-CG2 4.28Å; L139-V141 HydrophobicContact CD2-CG2 3.95Å; L139-V141 HydrophobicContact CG-CG2 3.98Å; L139-L168 HydrophobicContact CD2-CD1 4.1Å; L139-F199 WeakPolarHBondContact O-CE2 3.29Å
140M95.4Very high88.9Confident44 Ų4495 Ų9522%0.21750%0.502CS..  trans-116.4123.1163.5175.1177.857.900108.4I142 A162 S163 L192 L196 F199M140-I142 HydrophobicContact CE-CD1 3.7Å; M140-I142 HydrophobicContact CE-CG1 4.29Å; M140-I142 HydrophobicContact CG-CD1 4.47Å; M140-I142 HydrophobicContact CG-CG1 4.04Å; M140-I142 HydrophobicContact SD-CD1 4.13Å; M140-I142 HydrophobicContact SD-CG1 4.23Å; M140-A162 HydrophobicContact CG-CB 4.42Å; M140-A162 HydrophobicContact SD-CB 4.21Å; M140-S163 WeakPolarHBondContact CG-O 3.34Å; M140-L192 HydrophobicContact CE-CD1 4.32Å; M140-L196 HydrophobicContact CE-CD2 3.46Å; M140-L196 VanDerWaalsContact CE-CD2 3.46Å; M140-L196 HydrophobicContact CE-CG 4.09Å; M140-L196 HydrophobicContact SD-CD2 4.42Å; M140-F199 HydrophobicContact CB-CD2 3.92Å; M140-F199 HydrophobicContact CB-CE2 3.88Å; M140-F199 HydrophobicContact CB-CZ 4.45Å; M140-F199 HydrophobicContact CG-CD2 4.28Å; M140-F199 HydrophobicContact SD-CB 4.45Å; M140-F199 HydrophobicContact SD-CD2 4.46Å
141V96.3Very high87.8Confident64 Ų6490.5 Ų90.539%0.38850%0.5SS..  trans-100.6128.1174-179.40000108.6L139 A162 S163 L168L139-V141 HydrophobicContact CD1-CG2 4.28Å; L139-V141 HydrophobicContact CD2-CG2 3.95Å; L139-V141 HydrophobicContact CG-CG2 3.98Å; V141-A162 WeakPolarHBondContact O-CA 3.33Å; V141-S163 PolarHBondContact N-OG 3.29Å; V141-S163 PolarHBondContact O-N 3.45Å; V141-S163 PolarHBondContact O-OG 3.01Å; V141-L168 HydrophobicContact CB-CD1 4.47Å; V141-L168 HydrophobicContact CG2-CD1 3.68Å
142I96.8Very high86.6Confident62 Ų6297 Ų9732%0.31851%0.51SS..EExtended strand (participates in β ladder)trans-117.2128.8179.5-59.3176.8000108.9M140 M144 F160 V161 A162 L192M140-I142 HydrophobicContact CE-CD1 3.7Å; M140-I142 HydrophobicContact CE-CG1 4.29Å; M140-I142 HydrophobicContact CG-CD1 4.47Å; M140-I142 HydrophobicContact CG-CG1 4.04Å; M140-I142 HydrophobicContact SD-CD1 4.13Å; M140-I142 HydrophobicContact SD-CG1 4.23Å; I142-M144 HydrophobicContact CG2-CG 4.27Å; I142-F160 HydrophobicContact CD1-CE2 4.45Å; I142-F160 HydrophobicContact CD1-CZ 4Å; I142-F160 HydrophobicContact CG1-CZ 4.32Å; I142-F160 HydrophobicContact CG2-CD2 4.05Å; I142-F160 HydrophobicContact CG2-CE1 4.35Å; I142-F160 HydrophobicContact CG2-CE2 3.39Å; I142-F160 HydrophobicContact CG2-CZ 3.57Å; I142-V161 CarbonylContact C-O 3.5Å; I142-V161 WeakPolarHBondContact CA-O 3.42Å; I142-A162 HydrophobicContact CG1-CB 3.87Å; I142-L192 HydrophobicContact CD1-CD1 3.45Å; I142-L192 VanDerWaalsContact CD1-CD1 3.45Å
143G95.1Very high85.3Confident41 Ų4195.2 Ų95.242%0.42351%0.51SS..EExtended strand (participates in β ladder)trans-115.6140.7170.100000110.5V161G143-V161 PolarHBondContact N-O 2.95Å; G143-V161 PolarHBondContact O-N 3.43Å
144M92.8Very high83.9Confident76 Ų7694.5 Ų94.537%0.37450%0.503SS..EExtended strand (participates in β ladder)trans-136.4142.6175.5-66.1176.965.300110.2I142 V158 G159 F160 I184 L188I142-M144 HydrophobicContact CG2-CG 4.27Å; M144-V158 HydrophobicContact CE-CG1 3.8Å; M144-G159 VanDerWaalsContact CA-O 3.28Å; M144-G159 WeakPolarHBondContact CA-O 3.31Å; M144-F160 HydrophobicContact CE-CD2 4.26Å; M144-F160 HydrophobicContact CG-CB 4.45Å; M144-F160 HydrophobicContact CG-CD2 3.6Å; M144-F160 HydrophobicContact CG-CE2 4.3Å; M144-F160 HydrophobicContact CG-CG 4.35Å; M144-F160 HydrophobicContact SD-CD2 3.71Å; M144-F160 HydrophobicContact SD-CE2 4.14Å; M144-I184 HydrophobicContact CE-CG2 4.05Å; M144-L188 HydrophobicContact CE-CD1 3.85Å; M144-L188 HydrophobicContact SD-CD1 3.42Å; M144-L188 WeakPolarHBondContact SD-CD1 3.41Å
145D91.1Very high83Confident126 Ų12698.5 Ų98.567%0.67452%0.515SS*.EExtended strand (participates in β ladder)trans-143.2152.1173.5-167.618000110.2V158 G159D145-V158 WeakPolarHBondContact O-CA 3.39Å; D145-G159 PolarHBondContact N-O 3.45Å; D145-G159 PolarHBondContact O-N 2.84Å
146V87.5Confident82.7Confident35 Ų3593.4 Ų93.421%0.21248%0.483CS..EExtended strand (participates in β ladder)trans-122.9118-178-172.10000109.5V157 V158 I184V146-V157 WeakPolarHBondContact CA-O 3.44Å; V146-V158 HydrophobicContact CG1-CG2 4.27Å; V146-V158 HydrophobicContact CG2-CG1 4.44Å; V146-V158 HydrophobicContact CG2-CG2 3.91Å; V146-I184 HydrophobicContact CG2-CD1 4.06Å
147Y86.5Confident82.6Confident146 Ų14690 Ų9057%0.57347%0.467SS*.EExtended strand (participates in β ladder)trans-97.3127.7171.8178.3-104.3000110.3D149 S156 V157Y147-D149 HydrophobicContact CE1-CB 3.88Å; Y147-S156 CarbonylContact O-C 3.56Å; Y147-S156 WeakPolarHBondContact O-CA 3.38Å; Y147-V157 PolarHBondContact N-O 3.35Å; Y147-V157 PolarHBondContact O-N 2.98Å
148H84.4Confident82.9Confident111 Ų11181 Ų8151%0.51443%0.428SS..EExtended strand (participates in β ladder)trans-102.2124.1173.7-59.2-74.8000109.3P150 S156H148-P150 WeakPolarHBondContact O-CD 3.22Å; H148-S156 PolarHBondContact CE1-OG 3.38Å; H148-S156 WeakPolarHBondContact ND1-CB 3.18Å; H148-S156 PolarHBondContact ND1-OG 3.46Å
149D74.9Confident83.3Confident31 Ų3175.8 Ų75.817%0.16641%0.411CS..EExtended strand (participates in β ladder)trans-97.9105.1173.6-173.3-13000109.8Y147 S151 R152 R155Y147-D149 HydrophobicContact CE1-CB 3.88Å; D149-S151 PolarHBondContact O-N 2.87Å; D149-S151 WeakPolarHBondContact OD1-CA 3.42Å; D149-S151 WeakPolarHBondContact OD1-CB 3.39Å; D149-S151 PolarHBondContact OD1-N 3.49Å; D149-S151 PolarHBondContact OD1-OG 3.22Å; D149-R152 HydrophobicContact CB-CB 4.36Å; D149-R152 PolarHBondContact O-N 2.95Å; D149-R152 VanDerWaalsContact OD2-CD 3.3Å; D149-R152 WeakPolarHBondContact OD2-CD 3.4Å; D149-R152 VanDerWaalsContact OD2-CG 3.29Å; D149-R152 WeakPolarHBondContact OD2-CG 3.38Å; D149-R152 IonicContact OD2-NE 3.2Å; D149-R155 PolarHBondContact N-O 2.81Å
150P68.9Low83.4Confident106 Ų10673.6 Ų73.669%0.68840%0.399SS*.G310 helixtrans-64.3-25.4179.6-17.331.4000112.3H148H148-P150 WeakPolarHBondContact O-CD 3.22Å
151S70.4Confident83.5Confident103 Ų10374.3 Ų74.372%0.7241%0.406SS*.G310 helixtrans-83.1-15.2-173.675.80000113.9D149D149-S151 PolarHBondContact O-N 2.87Å; D149-S151 WeakPolarHBondContact OD1-CA 3.42Å; D149-S151 WeakPolarHBondContact OD1-CB 3.39Å; D149-S151 PolarHBondContact OD1-N 3.49Å; D149-S151 PolarHBondContact OD1-OG 3.22Å
152R64.2Low83.5Confident185 Ų18571.2 Ų71.270%0.69839%0.388SS*.G310 helixtrans-113.739.3-177.2-70-171169.5-163.9-0.9113.6D149D149-R152 HydrophobicContact CB-CB 4.36Å; D149-R152 PolarHBondContact O-N 2.95Å; D149-R152 VanDerWaalsContact OD2-CD 3.3Å; D149-R152 WeakPolarHBondContact OD2-CD 3.4Å; D149-R152 VanDerWaalsContact OD2-CG 3.29Å; D149-R152 WeakPolarHBondContact OD2-CG 3.38Å; D149-R152 IonicContact OD2-NE 3.2Å
153G63Low83.5Confident55 Ų5568.3 Ų68.357%0.56737%0.373SS*.THydrogen-bonded Turntrans6742.8173.200000113.4R155G153-R155 PolarHBondContact O-N 2.93Å
154M61.2Low83.4Confident137 Ų13767.2 Ų67.268%0.67536%0.357SS*.SBendtrans60.228.3174.2-61.8-84.6-80.600114.1
155R71.2Confident83.4Confident136 Ų13664.6 Ų64.651%0.51334%0.344SS..EExtended strand (participates in β ladder)trans-72.9131.2170.9-69.8-179.1-174.6-176.22.4109.2D149 G153D149-R155 PolarHBondContact N-O 2.81Å; G153-R155 PolarHBondContact O-N 2.93Å
156S83.4Confident83.2Confident16 Ų1663 Ų6311%0.11234%0.335CS..EExtended strand (participates in β ladder)trans-101.7141.7177.6-47.50000109Y147 H148 Q178Y147-S156 CarbonylContact O-C 3.56Å; Y147-S156 WeakPolarHBondContact O-CA 3.38Å; H148-S156 PolarHBondContact CE1-OG 3.38Å; H148-S156 WeakPolarHBondContact ND1-CB 3.18Å; H148-S156 PolarHBondContact ND1-OG 3.46Å; S156-Q178 PolarHBondContact N-O 3.36Å; S156-Q178 PolarHBondContact O-N 2.99Å
157V88.1Confident83.3Confident38 Ų3864.6 Ų64.623%0.2335%0.345CS..EExtended strand (participates in β ladder)trans-117.9117.2178.3-175.20000107.7V146 Y147 V175 F177V146-V157 WeakPolarHBondContact CA-O 3.44Å; Y147-V157 PolarHBondContact N-O 3.35Å; Y147-V157 PolarHBondContact O-N 2.98Å; V157-V175 HydrophobicContact CG1-CG1 3.43Å; V157-V175 VanDerWaalsContact CG1-CG1 3.43Å; V157-F177 HydrophobicContact CG1-CE1 4.37Å; V157-F177 HydrophobicContact CG2-CD1 3.81Å; V157-F177 HydrophobicContact CG2-CE1 3.81Å
158V90.2Very high83.6Confident2 Ų259 Ų591%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-93.6122.4176-175.20000109.3M144 D145 V146 V175 V176 Q178M144-V158 HydrophobicContact CE-CG1 3.8Å; D145-V158 WeakPolarHBondContact O-CA 3.39Å; V146-V158 HydrophobicContact CG1-CG2 4.27Å; V146-V158 HydrophobicContact CG2-CG1 4.44Å; V146-V158 HydrophobicContact CG2-CG2 3.91Å; V158-V175 WeakPolarHBondContact O-CA 3.3Å; V158-V176 PolarHBondContact N-O 2.94Å; V158-V176 PolarHBondContact O-N 3.46Å; V158-Q178 HydrophobicContact CG2-CG 4.1Å
159G93.7Very high84Confident30 Ų3054.8 Ų54.831%0.30931%0.307SS..EExtended strand (participates in β ladder)trans-91.5122.6164.300000109.5M144 D145M144-G159 VanDerWaalsContact CA-O 3.28Å; M144-G159 WeakPolarHBondContact CA-O 3.31Å; D145-G159 PolarHBondContact N-O 3.45Å; D145-G159 PolarHBondContact O-N 2.84Å
160F95.6Very high84.8Confident1 Ų156.5 Ų56.50%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-115.3130.5173.3177.2-79.7000109.1I142 M144 A162 Y172 S173 R174 L188 C191I142-F160 HydrophobicContact CD1-CE2 4.45Å; I142-F160 HydrophobicContact CD1-CZ 4Å; I142-F160 HydrophobicContact CG1-CZ 4.32Å; I142-F160 HydrophobicContact CG2-CD2 4.05Å; I142-F160 HydrophobicContact CG2-CE1 4.35Å; I142-F160 HydrophobicContact CG2-CE2 3.39Å; I142-F160 HydrophobicContact CG2-CZ 3.57Å; M144-F160 HydrophobicContact CE-CD2 4.26Å; M144-F160 HydrophobicContact CG-CB 4.45Å; M144-F160 HydrophobicContact CG-CD2 3.6Å; M144-F160 HydrophobicContact CG-CE2 4.3Å; M144-F160 HydrophobicContact CG-CG 4.35Å; M144-F160 HydrophobicContact SD-CD2 3.71Å; M144-F160 HydrophobicContact SD-CE2 4.14Å; F160-A162 HydrophobicContact CE1-CB 3.73Å; F160-A162 HydrophobicContact CZ-CB 4.18Å; F160-Y172 HydrophobicContact CD1-CD1 4.23Å; F160-Y172 HydrophobicContact CD1-CE1 4.18Å; F160-Y172 AromaticContact CE1-CD1 3.97Å; F160-Y172 HydrophobicContact CE1-CD1 3.97Å; F160-Y172 HydrophobicContact CE1-CE1 4.07Å; F160-S173 CarbonylContact O-C 3.58Å; F160-S173 VanDerWaalsContact O-CA 3.25Å; F160-S173 WeakPolarHBondContact O-CA 3.46Å; F160-R174 PolarHBondContact N-O 3.16Å; F160-R174 PolarHBondContact O-N 3.47Å; F160-L188 HydrophobicContact CD2-CD1 4.24Å; F160-L188 HydrophobicContact CE2-CD1 3.94Å; F160-C191 HydrophobicContact CB-CB 4.09Å; F160-C191 HydrophobicContact CD1-CB 3.78Å; F160-C191 HydrophobicContact CD2-CB 3.39Å; F160-C191 HydrophobicContact CE1-CB 3.99Å; F160-C191 HydrophobicContact CE2-CB 3.61Å; F160-C191 HydrophobicContact CG-CB 3.48Å; F160-C191 VanDerWaalsContact CG-CB 3.48Å; F160-C191 HydrophobicContact CZ-CB 3.91Å
161V97.2Very high86.1Confident59 Ų5957.7 Ų57.736%0.35830%0.304SS..EExtended strand (participates in β ladder)trans-136132.9177.4-175.40000109.4I142 G143 W171 Y172I142-V161 CarbonylContact C-O 3.5Å; I142-V161 WeakPolarHBondContact CA-O 3.42Å; G143-V161 PolarHBondContact N-O 2.95Å; G143-V161 PolarHBondContact O-N 3.43Å; V161-W171 HydrophobicContact CG1-CB 4.11Å; V161-W171 HydrophobicContact CG1-CD2 4.21Å; V161-W171 HydrophobicContact CG1-CE3 3.64Å; V161-W171 HydrophobicContact CG1-CG 4.44Å; V161-W171 HydrophobicContact CG1-CZ3 4.42Å; V161-Y172 CarbonylContact C-O 3.54Å; V161-Y172 WeakPolarHBondContact CA-O 3.35Å
162A97.3Very high87.3Confident0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-133.2135.3178.800000110.5M140 V141 I142 F160 W171 Y172M140-A162 HydrophobicContact CG-CB 4.42Å; M140-A162 HydrophobicContact SD-CB 4.21Å; V141-A162 WeakPolarHBondContact O-CA 3.33Å; I142-A162 HydrophobicContact CG1-CB 3.87Å; F160-A162 HydrophobicContact CE1-CB 3.73Å; F160-A162 HydrophobicContact CZ-CB 4.18Å; A162-W171 CarbonylContact O-C 3.5Å; A162-W171 WeakPolarHBondContact O-CA 3.43Å; A162-Y172 PolarHBondContact N-O 3.39Å; A162-Y172 PolarHBondContact O-N 2.95Å
163S96.1Very high88.8Confident0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-69141.4171.264.20000110.4M140 V141 L168 K170M140-S163 WeakPolarHBondContact CG-O 3.34Å; V141-S163 PolarHBondContact N-OG 3.29Å; V141-S163 PolarHBondContact O-N 3.45Å; V141-S163 PolarHBondContact O-OG 3.01Å; S163-L168 WeakPolarHBondContact OG-CD2 3.26Å; S163-K170 WeakPolarHBondContact CA-O 3.25Å
164I94.4Very high90.2Very high18 Ų1852.1 Ų52.19%0.09226%0.264CS..  trans-119.8-6-175.562.2177.5000115.2K170 K198 E202I164-K170 HydrophobicContact CD1-CB 4.01Å; I164-K170 HydrophobicContact CG1-CB 3.5Å; I164-K170 VanDerWaalsContact CG1-CB 3.5Å; I164-K170 PolarHBondContact N-O 3.22Å; I164-K198 HydrophobicContact CG2-CB 4.05Å; I164-E202 HydrophobicContact CD1-CG 4.09Å; I164-E202 HydrophobicContact CG1-CG 4.29Å
165N91.3Very high91.6Very high21 Ų2150 Ų5011%0.11226%0.258CS..SBendtrans-128.9164.2177.869.7-25.4000112T167 L168 T169 K170N165-T167 VanDerWaalsContact C-N 3.3Å; N165-T167 PolarHBondContact ND2-OG1 2.85Å; N165-T167 PolarHBondContact O-N 3.47Å; N165-L168 WeakPolarHBondContact O-CD2 3.41Å; N165-L168 PolarHBondContact O-N 2.93Å; N165-L168 PolarHBondContact OD1-N 3.2Å; N165-T169 PolarHBondContact ND2-OG1 3.4Å; N165-T169 PolarHBondContact OD1-N 3.13Å; N165-K170 HydrophobicContact CB-CB 4.3Å; N165-K170 HydrophobicContact CB-CD 4.29Å; N165-K170 HydrophobicContact CB-CG 4.45Å; N165-K170 PolarHBondContact OD1-N 3.16Å
166L87.6Confident92.5Very high92 Ų9244.8 Ų44.848%0.48224%0.241SC..THydrogen-bonded Turntrans-59.2-36.3-175.8-72.9176.6000114.2L168 W203L166-L168 PolarHBondContact O-N 3.38Å; L166-W203 HydrophobicContact CD1-CZ2 4.33Å; L166-W203 HydrophobicContact CD2-CH2 4.41Å; L166-W203 HydrophobicContact CD2-CZ2 3.53Å; L166-W203 HydrophobicContact CG-CZ2 4.18Å
167T89.9Confident92.6Very high70 Ų7051.1 Ų51.143%0.42927%0.267SS..THydrogen-bonded Turntrans-80.5-0.6-179.549.40000113.2N165 T169N165-T167 VanDerWaalsContact C-N 3.3Å; N165-T167 PolarHBondContact ND2-OG1 2.85Å; N165-T167 PolarHBondContact O-N 3.47Å; T167-T169 VanDerWaalsContact C-N 3.27Å; T167-T169 PolarHBondContact O-N 2.76Å; T167-T169 PolarHBondContact OG1-OG1 3.48Å
168L92.6Very high92.2Very high27 Ų2749.7 Ų49.714%0.14126%0.258CS..SBendtrans53.540.1-177.1-49.3-165.6000113.7I134 L139 V141 S163 N165 L166 W171I134-L168 HydrophobicContact CD1-CB 4.16Å; I134-L168 HydrophobicContact CD1-CD1 3.3Å; I134-L168 HydrophobicContact CD1-CG 3.51Å; L139-L168 HydrophobicContact CD2-CD1 4.1Å; V141-L168 HydrophobicContact CB-CD1 4.47Å; V141-L168 HydrophobicContact CG2-CD1 3.68Å; S163-L168 WeakPolarHBondContact OG-CD2 3.26Å; N165-L168 WeakPolarHBondContact O-CD2 3.41Å; N165-L168 PolarHBondContact O-N 2.93Å; N165-L168 PolarHBondContact OD1-N 3.2Å; L166-L168 PolarHBondContact O-N 3.38Å; L168-W171 WeakPolarHBondContact O-CZ2 3.5Å
169T92.3Very high91.6Very high23 Ų2355 Ų5514%0.14128%0.284CS..  trans-113.9-18.2-17645.10000113E128 W130 N165 T167 W171E128-T169 HydrophobicContact CB-CG2 4.41Å; E128-T169 WeakPolarHBondContact OE2-CB 3.39Å; E128-T169 PolarHBondContact OE2-OG1 2.86Å; W130-T169 WeakPolarHBondContact O-CG2 3.37Å; N165-T169 PolarHBondContact ND2-OG1 3.4Å; N165-T169 PolarHBondContact OD1-N 3.13Å; T167-T169 VanDerWaalsContact C-N 3.27Å; T167-T169 PolarHBondContact O-N 2.76Å; T167-T169 PolarHBondContact OG1-OG1 3.48Å; T169-W171 PolarHBondContact O-NE1 2.89Å
170K93.2Very high90.4Very high67 Ų6756.3 Ų56.329%0.29129%0.287SS..  trans-102.4143.9170.9-65-176.2-178.2-1790110.6E128 S163 I164 N165 E202E128-K170 VanDerWaalsContact OE1-CE 3.26Å; E128-K170 WeakPolarHBondContact OE1-CE 3.3Å; E128-K170 WeakPolarHBondContact OE1-CG 3.33Å; S163-K170 WeakPolarHBondContact CA-O 3.25Å; I164-K170 HydrophobicContact CD1-CB 4.01Å; I164-K170 HydrophobicContact CG1-CB 3.5Å; I164-K170 VanDerWaalsContact CG1-CB 3.5Å; I164-K170 PolarHBondContact N-O 3.22Å; N165-K170 HydrophobicContact CB-CB 4.3Å; N165-K170 HydrophobicContact CB-CD 4.29Å; N165-K170 HydrophobicContact CB-CG 4.45Å; N165-K170 PolarHBondContact OD1-N 3.16Å; K170-E202 VanDerWaalsContact NZ-CD 3.34Å; K170-E202 IonicContact NZ-OE1 2.68Å; K170-E202 PolarHBondContact NZ-OE1 3.24Å; K170-E202 IonicContact NZ-OE2 3.87Å; K170-E202 PolarHBondContact NZ-OE2 2.6Å
171W95.3Very high89.1Confident132 Ų13265.6 Ų65.650%0.533%0.33SS..EExtended strand (participates in β ladder)trans-134.5129-171.4-56.491000111.5V161 A162 L168 T169V161-W171 HydrophobicContact CG1-CB 4.11Å; V161-W171 HydrophobicContact CG1-CD2 4.21Å; V161-W171 HydrophobicContact CG1-CE3 3.64Å; V161-W171 HydrophobicContact CG1-CG 4.44Å; V161-W171 HydrophobicContact CG1-CZ3 4.42Å; A162-W171 CarbonylContact O-C 3.5Å; A162-W171 WeakPolarHBondContact O-CA 3.43Å; L168-W171 WeakPolarHBondContact O-CZ2 3.5Å; T169-W171 PolarHBondContact O-NE1 2.89Å
172Y95.4Very high87.7Confident43 Ų4366.6 Ų66.617%0.16933%0.331CS..EExtended strand (participates in β ladder)trans-85.5134.7160.1172.1-99.8000108.6F160 V161 A162 R174 K198F160-Y172 HydrophobicContact CD1-CD1 4.23Å; F160-Y172 HydrophobicContact CD1-CE1 4.18Å; F160-Y172 AromaticContact CE1-CD1 3.97Å; F160-Y172 HydrophobicContact CE1-CD1 3.97Å; F160-Y172 HydrophobicContact CE1-CE1 4.07Å; V161-Y172 CarbonylContact C-O 3.54Å; V161-Y172 WeakPolarHBondContact CA-O 3.35Å; A162-Y172 PolarHBondContact N-O 3.39Å; A162-Y172 PolarHBondContact O-N 2.95Å; Y172-R174 HydrophobicContact CE1-CB 4.17Å; Y172-R174 WeakPolarHBondContact OH-CD 3.27Å; Y172-K198 HydrophobicContact CD2-CB 4.41Å; Y172-K198 HydrophobicContact CD2-CG 3.78Å; Y172-K198 HydrophobicContact CE2-CG 4.2Å; Y172-K198 HydrophobicContact CG-CG 4.49Å
173S95.3Very high86.3Confident87 Ų8773 Ų7361%0.60836%0.361SS*.EExtended strand (participates in β ladder)trans-132.2148.3174.165.90000111.7F160F160-S173 CarbonylContact O-C 3.58Å; F160-S173 VanDerWaalsContact O-CA 3.25Å; F160-S173 WeakPolarHBondContact O-CA 3.46Å
174R93.7Very high84.9Confident96 Ų9676.5 Ų76.536%0.36238%0.379SS..EExtended strand (participates in β ladder)trans-144.4140.3175.6-165.3170.3-173.7166.8-0109.9F160 Y172 V176 L190F160-R174 PolarHBondContact N-O 3.16Å; F160-R174 PolarHBondContact O-N 3.47Å; Y172-R174 HydrophobicContact CE1-CB 4.17Å; Y172-R174 WeakPolarHBondContact OH-CD 3.27Å; R174-V176 HydrophobicContact CG-CG2 4.37Å; R174-L190 PolarHBondContact NH1-O 3.15Å; R174-L190 VanDerWaalsContact NH1-O 3.11Å
175V91.2Very high83.7Confident92 Ų9280.1 Ų80.156%0.55840%0.402SS*.EExtended strand (participates in β ladder)trans-109.9130.9173.2-179.50000108.3V157 V158 F177V157-V175 HydrophobicContact CG1-CG1 3.43Å; V157-V175 VanDerWaalsContact CG1-CG1 3.43Å; V158-V175 WeakPolarHBondContact O-CA 3.3Å; V175-F177 HydrophobicContact CG1-CE2 4.43Å
176V88.9Confident82.9Confident26 Ų2684.1 Ų84.116%0.15842%0.423CS..EExtended strand (participates in β ladder)trans-124.3128.1177.2-171.60000110V158 R174 S187V158-V176 PolarHBondContact N-O 2.94Å; V158-V176 PolarHBondContact O-N 3.46Å; R174-V176 HydrophobicContact CG-CG2 4.37Å; V176-S187 WeakPolarHBondContact CG1-OG 3.37Å
177F86.6Confident82.4Confident149 Ų14980.1 Ų80.165%0.65440%0.403SS*.EExtended strand (participates in β ladder)trans-88.4126.1173.9-66.4-85000109.2V157 V175V157-F177 HydrophobicContact CG1-CE1 4.37Å; V157-F177 HydrophobicContact CG2-CD1 3.81Å; V157-F177 HydrophobicContact CG2-CE1 3.81Å; V175-F177 HydrophobicContact CG1-CE2 4.43Å
178Q79.6Confident82.2Confident9 Ų979.6 Ų79.64%0.04240%0.397CS..EExtended strand (participates in β ladder)trans-105.5128.8177.1-70.9177.8-11.700110.2S156 V158 I184S156-Q178 PolarHBondContact N-O 3.36Å; S156-Q178 PolarHBondContact O-N 2.99Å; V158-Q178 HydrophobicContact CG2-CG 4.1Å; Q178-I184 VanDerWaalsContact NE2-CA 3.32Å
179M76.1Confident82Confident112 Ų11285.8 Ų85.855%0.55242%0.423SS*.  trans-75.8153.9171.5-64.9-70.8-90.500109.6H181 Q182M179-H181 PolarHBondContact O-N 3.33Å; M179-Q182 WeakPolarHBondContact O-CB 3.38Å; M179-Q182 PolarHBondContact O-N 2.9Å; M179-Q182 VanDerWaalsContact O-N 3.08Å
180P68.8Low81.8Confident59 Ų5989.8 Ų89.838%0.38344%0.443SS..THydrogen-bonded Turntrans-51.4134.3173.3-25.734.6000110.9Q182P180-Q182 VanDerWaalsContact C-N 3.32Å; P180-Q182 PolarHBondContact O-N 3.08Å
181H68Low81.8Confident196 Ų19686.6 Ų86.691%0.90743%0.429SS*.THydrogen-bonded Turntrans73.74.4-177.3-39.987000116.7M179M179-H181 PolarHBondContact O-N 3.33Å
182Q69.4Low81.8Confident79 Ų7983.4 Ų83.437%0.36942%0.421SS..  trans-84.3131.3171.5-168.9177.51.400110.8M179 P180M179-Q182 WeakPolarHBondContact O-CB 3.38Å; M179-Q182 PolarHBondContact O-N 2.9Å; M179-Q182 VanDerWaalsContact O-N 3.08Å; P180-Q182 VanDerWaalsContact C-N 3.32Å; P180-Q182 PolarHBondContact O-N 3.08Å
183E67.4Low81.7Confident135 Ų13584.6 Ų84.663%0.63143%0.433SS*.  trans-76.2149.5177.1-67.2-168.9175.700112.6V185E183-V185 PolarHBondContact O-N 2.87Å
184I67.2Low81.7Confident74 Ų7481.2 Ų81.238%0.37941%0.411SS..Hα-helixtrans-62.6-29.9178.1-62.6167.4000112.1M144 V146 Q178 D186 S187 L188M144-I184 HydrophobicContact CE-CG2 4.05Å; V146-I184 HydrophobicContact CG2-CD1 4.06Å; Q178-I184 VanDerWaalsContact NE2-CA 3.32Å; I184-D186 VanDerWaalsContact C-N 3.32Å; I184-D186 PolarHBondContact O-N 2.84Å; I184-S187 PolarHBondContact O-N 2.92Å; I184-S187 VanDerWaalsContact O-N 3.15Å; I184-L188 PolarHBondContact O-N 3.4Å
185V68.5Low81.8Confident94 Ų9476.6 Ų76.657%0.5739%0.394SS*.Hα-helixtrans-58.4-40.5-172.5-179.40000112.3E183 S187 L188 K189E183-V185 PolarHBondContact O-N 2.87Å; V185-S187 VanDerWaalsContact C-N 3.33Å; V185-S187 PolarHBondContact O-N 2.87Å; V185-L188 WeakPolarHBondContact O-CB 3.28Å; V185-L188 PolarHBondContact O-N 3.21Å; V185-K189 PolarHBondContact O-N 3.23Å
186D73.8Confident82Confident105 Ų10576.3 Ų76.356%0.56139%0.389SS*.Hα-helixtrans-65.3-39.4-179.4-70.5-25.1000112.3I184I184-D186 VanDerWaalsContact C-N 3.32Å; I184-D186 PolarHBondContact O-N 2.84Å
187S77.1Confident82.4Confident7 Ų781.3 Ų81.35%0.04941%0.409CS..Hα-helixtrans-72.3-33.5178.9-62.10000111.8V176 I184 V185 K189 L190 C191V176-S187 WeakPolarHBondContact CG1-OG 3.37Å; I184-S187 PolarHBondContact O-N 2.92Å; I184-S187 VanDerWaalsContact O-N 3.15Å; V185-S187 VanDerWaalsContact C-N 3.33Å; V185-S187 PolarHBondContact O-N 2.87Å; S187-K189 PolarHBondContact O-N 3.03Å; S187-L190 PolarHBondContact O-N 2.86Å; S187-C191 PolarHBondContact O-N 3.11Å; S187-C191 PolarHBondContact O-SG 2.85Å
188L85.3Confident82.8Confident60 Ų6078.3 Ų78.331%0.31440%0.395SS..Hα-helixtrans-63.5-42.5-178.1178.954.6000112.2M144 F160 I184 V185 L190 C191 L192M144-L188 HydrophobicContact CE-CD1 3.85Å; M144-L188 HydrophobicContact SD-CD1 3.42Å; M144-L188 WeakPolarHBondContact SD-CD1 3.41Å; F160-L188 HydrophobicContact CD2-CD1 4.24Å; F160-L188 HydrophobicContact CE2-CD1 3.94Å; I184-L188 PolarHBondContact O-N 3.4Å; V185-L188 WeakPolarHBondContact O-CB 3.28Å; V185-L188 PolarHBondContact O-N 3.21Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.23Å; L188-C191 PolarHBondContact O-N 2.93Å; L188-C191 VanDerWaalsContact O-N 3.15Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 PolarHBondContact O-N 3.04Å
189K88.6Confident83.5Confident157 Ų15779.1 Ų79.168%0.68340%0.399SS*.Hα-helixtrans-55.5-45.4178.5-177.1177.5179.1178.60111.6V185 S187 V193V185-K189 PolarHBondContact O-N 3.23Å; S187-K189 PolarHBondContact O-N 3.03Å; K189-V193 WeakPolarHBondContact O-CB 3.42Å; K189-V193 VanDerWaalsContact O-CG2 3.27Å; K189-V193 WeakPolarHBondContact O-CG2 3.48Å; K189-V193 PolarHBondContact O-N 2.86Å
190L88.6Confident84.3Confident106 Ų10680.9 Ų80.956%0.55540%0.4SS*.Hα-helixtrans-64.9-40.6179-71.9169.9000112.4R174 S187 L188 G194R174-L190 PolarHBondContact NH1-O 3.15Å; R174-L190 VanDerWaalsContact NH1-O 3.11Å; S187-L190 PolarHBondContact O-N 2.86Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.23Å; L190-G194 PolarHBondContact O-N 2.86Å
191C93.2Very high85.4Confident1 Ų183 Ų831%0.00741%0.405CS..Hα-helixtrans-66-47.9177-68.10000111.8F160 S187 L188 G194 S195F160-C191 HydrophobicContact CB-CB 4.09Å; F160-C191 HydrophobicContact CD1-CB 3.78Å; F160-C191 HydrophobicContact CD2-CB 3.39Å; F160-C191 HydrophobicContact CE1-CB 3.99Å; F160-C191 HydrophobicContact CE2-CB 3.61Å; F160-C191 HydrophobicContact CG-CB 3.48Å; F160-C191 VanDerWaalsContact CG-CB 3.48Å; F160-C191 HydrophobicContact CZ-CB 3.91Å; S187-C191 PolarHBondContact O-N 3.11Å; S187-C191 PolarHBondContact O-SG 2.85Å; L188-C191 PolarHBondContact O-N 2.93Å; L188-C191 VanDerWaalsContact O-N 3.15Å; C191-G194 PolarHBondContact O-N 3.41Å; C191-S195 PolarHBondContact O-N 3.37Å
192L94.4Very high86.2Confident65 Ų6577.8 Ų77.834%0.3438%0.381SS..Hα-helixtrans-65.6-44-176.8-175.664.7000112.2M140 I142 L188 G194 S195 L196M140-L192 HydrophobicContact CE-CD1 4.32Å; I142-L192 HydrophobicContact CD1-CD1 3.45Å; I142-L192 VanDerWaalsContact CD1-CD1 3.45Å; L188-L192 WeakPolarHBondContact O-CB 3.46Å; L188-L192 PolarHBondContact O-N 3.04Å; L192-G194 VanDerWaalsContact C-N 3.27Å; L192-G194 PolarHBondContact O-N 3.49Å; L192-S195 PolarHBondContact O-N 3.31Å; L192-S195 PolarHBondContact O-OG 3.43Å; L192-L196 HydrophobicContact CD1-CD1 4.37Å; L192-L196 HydrophobicContact CD1-CG 4.42Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.04Å
193V94.8Very high86.3Confident68 Ų6879.3 Ų79.341%0.41238%0.384SS..Hα-helixtrans-62.1-39.6175.2172.10000110.6K189 K197K189-V193 WeakPolarHBondContact O-CB 3.42Å; K189-V193 VanDerWaalsContact O-CG2 3.27Å; K189-V193 WeakPolarHBondContact O-CG2 3.48Å; K189-V193 PolarHBondContact O-N 2.86Å; V193-K197 HydrophobicContact CG1-CD 4.39Å; V193-K197 WeakPolarHBondContact O-CG 3.42Å; V193-K197 PolarHBondContact O-N 3.15Å; V193-K197 VanDerWaalsContact O-N 3.16Å
194G95.1Very high85.9Confident15 Ų1582.4 Ų82.416%0.15540%0.398CS..Hα-helixtrans-62.9-46.2176.100000112.8L190 C191 L192 K197 K198L190-G194 PolarHBondContact O-N 2.86Å; C191-G194 PolarHBondContact O-N 3.41Å; L192-G194 VanDerWaalsContact C-N 3.27Å; L192-G194 PolarHBondContact O-N 3.49Å; G194-K197 PolarHBondContact O-N 3.42Å; G194-K198 PolarHBondContact O-N 2.84Å; G194-K198 VanDerWaalsContact O-N 3.16Å
195S96.3Very high86.9Confident0 Ų082.9 Ų82.90%040%0.399CS..Hα-helixtrans-67.9-40.4179.8650000112.6C191 L192 K197 K198 F199C191-S195 PolarHBondContact O-N 3.37Å; L192-S195 PolarHBondContact O-N 3.31Å; L192-S195 PolarHBondContact O-OG 3.43Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact O-N 3.29Å; S195-K198 PolarHBondContact O-N 2.82Å; S195-F199 WeakPolarHBondContact O-CB 3.3Å; S195-F199 PolarHBondContact O-N 2.8Å
196L95.5Very high87.8Confident85 Ų8582.3 Ų82.345%0.44539%0.39SS..Hα-helixtrans-62.6-40.7177.1-75.1170.1000112.1M140 L192 F199 Y200M140-L196 HydrophobicContact CE-CD2 3.46Å; M140-L196 VanDerWaalsContact CE-CD2 3.46Å; M140-L196 HydrophobicContact CE-CG 4.09Å; M140-L196 HydrophobicContact SD-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CD1 4.37Å; L192-L196 HydrophobicContact CD1-CG 4.42Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 3.04Å; L196-F199 PolarHBondContact O-N 3.28Å; L196-Y200 WeakPolarHBondContact O-CB 3.33Å; L196-Y200 PolarHBondContact O-N 3.2Å
197K95.6Very high88.6Confident132 Ų13281 Ų8157%0.57438%0.38SS*.Hα-helixtrans-61.1-45.6173.9-74.2178.3179.1-171.80111.4V193 G194 S195 Y200 E201V193-K197 HydrophobicContact CG1-CD 4.39Å; V193-K197 WeakPolarHBondContact O-CG 3.42Å; V193-K197 PolarHBondContact O-N 3.15Å; V193-K197 VanDerWaalsContact O-N 3.16Å; G194-K197 PolarHBondContact O-N 3.42Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact O-N 3.29Å; K197-Y200 PolarHBondContact O-N 2.77Å; K197-E201 WeakPolarHBondContact O-CG 3.36Å; K197-E201 PolarHBondContact O-N 3.24Å
198K95.3Very high89.3Confident85 Ų8585.4 Ų85.437%0.3740%0.4SS..Hα-helixtrans-65.8-38.6177.1-71-52.6-171.9-176.80113.5I164 Y172 G194 S195 Y200 E201 E202I164-K198 HydrophobicContact CG2-CB 4.05Å; Y172-K198 HydrophobicContact CD2-CB 4.41Å; Y172-K198 HydrophobicContact CD2-CG 3.78Å; Y172-K198 HydrophobicContact CE2-CG 4.2Å; Y172-K198 HydrophobicContact CG-CG 4.49Å; G194-K198 PolarHBondContact O-N 2.84Å; G194-K198 VanDerWaalsContact O-N 3.16Å; S195-K198 PolarHBondContact O-N 2.82Å; K198-Y200 VanDerWaalsContact C-N 3.31Å; K198-E201 VanDerWaalsContact CD-OE2 3.23Å; K198-E201 WeakPolarHBondContact CD-OE2 3.5Å; K198-E201 IonicContact NZ-OE1 2.68Å; K198-E201 IonicContact NZ-OE2 3.13Å; K198-E201 PolarHBondContact NZ-OE2 3.43Å; K198-E201 PolarHBondContact O-N 3.35Å; K198-E202 PolarHBondContact O-N 2.9Å; K198-E202 VanDerWaalsContact O-N 3.13Å
199F94.3Very high89.5Confident26 Ų2686.9 Ų86.911%0.11441%0.405CS..Hα-helixtrans-61.6-41.6173.6-170.9-90.9000111.1L139 M140 S195 L196 W203L139-F199 WeakPolarHBondContact O-CE2 3.29Å; M140-F199 HydrophobicContact CB-CD2 3.92Å; M140-F199 HydrophobicContact CB-CE2 3.88Å; M140-F199 HydrophobicContact CB-CZ 4.45Å; M140-F199 HydrophobicContact CG-CD2 4.28Å; M140-F199 HydrophobicContact SD-CB 4.45Å; M140-F199 HydrophobicContact SD-CD2 4.46Å; S195-F199 WeakPolarHBondContact O-CB 3.3Å; S195-F199 PolarHBondContact O-N 2.8Å; L196-F199 PolarHBondContact O-N 3.28Å; F199-W203 AromaticContact CD1-CD1 3.91Å; F199-W203 AromaticContact CE1-CD1 3.58Å; F199-W203 AromaticContact CE1-NE1 3.36Å; F199-W203 AromaticContact CZ-CD1 3.94Å; F199-W203 AromaticContact CZ-NE1 3.42Å; F199-W203 VanDerWaalsContact O-CD1 3.31Å; F199-W203 PolarHBondContact O-N 3.27Å
200Y92.4Very high89.6Confident150 Ų15082.3 Ų82.359%0.58839%0.387SS*.Hα-helixtrans-68.3-41176.5-175.8-95.3000113L196 K197 K198 W203 Q204L196-Y200 WeakPolarHBondContact O-CB 3.33Å; L196-Y200 PolarHBondContact O-N 3.2Å; K197-Y200 PolarHBondContact O-N 2.77Å; K198-Y200 VanDerWaalsContact C-N 3.31Å; Y200-W203 WeakPolarHBondContact O-CB 3.35Å; Y200-W203 PolarHBondContact O-N 3.08Å; Y200-Q204 HydrophobicContact CE1-CG 4.3Å; Y200-Q204 PolarHBondContact OH-NE2 3.49Å
201E91.8Very high89.7Confident102 Ų10280.6 Ų80.648%0.47738%0.375SS..Hα-helixtrans-61.2-42.3177.2-75.4168.9-156.300112.8K197 K198 W203 Q204K197-E201 WeakPolarHBondContact O-CG 3.36Å; K197-E201 PolarHBondContact O-N 3.24Å; K198-E201 VanDerWaalsContact CD-OE2 3.23Å; K198-E201 WeakPolarHBondContact CD-OE2 3.5Å; K198-E201 IonicContact NZ-OE1 2.68Å; K198-E201 IonicContact NZ-OE2 3.13Å; K198-E201 PolarHBondContact NZ-OE2 3.43Å; K198-E201 PolarHBondContact O-N 3.35Å; E201-W203 PolarHBondContact O-N 3.33Å; E201-Q204 PolarHBondContact O-N 3.2Å
202E84.9Confident89.4Confident88 Ų8886.7 Ų86.741%0.41140%0.403SS..THydrogen-bonded Turntrans-72.5-11.1177.3-77.1-81.8168.100113.5I164 K170 K198I164-E202 HydrophobicContact CD1-CG 4.09Å; I164-E202 HydrophobicContact CG1-CG 4.29Å; K170-E202 VanDerWaalsContact NZ-CD 3.34Å; K170-E202 IonicContact NZ-OE1 2.68Å; K170-E202 PolarHBondContact NZ-OE1 3.24Å; K170-E202 IonicContact NZ-OE2 3.87Å; K170-E202 PolarHBondContact NZ-OE2 2.6Å; K198-E202 PolarHBondContact O-N 2.9Å; K198-E202 VanDerWaalsContact O-N 3.13Å
203W72.4Confident89Confident111 Ų11188.5 Ų88.542%0.4241%0.408SS..THydrogen-bonded Turntrans-90.2-15.7178.1-106.388.2000114Q138 L166 F199 Y200 E201Q138-W203 HydrophobicContact CB-CZ2 4.31Å; Q138-W203 HydrophobicContact CG-CH2 3.7Å; Q138-W203 HydrophobicContact CG-CZ2 3.37Å; L166-W203 HydrophobicContact CD1-CZ2 4.33Å; L166-W203 HydrophobicContact CD2-CH2 4.41Å; L166-W203 HydrophobicContact CD2-CZ2 3.53Å; L166-W203 HydrophobicContact CG-CZ2 4.18Å; F199-W203 AromaticContact CD1-CD1 3.91Å; F199-W203 AromaticContact CE1-CD1 3.58Å; F199-W203 AromaticContact CE1-NE1 3.36Å; F199-W203 AromaticContact CZ-CD1 3.94Å; F199-W203 AromaticContact CZ-NE1 3.42Å; F199-W203 VanDerWaalsContact O-CD1 3.31Å; F199-W203 PolarHBondContact O-N 3.27Å; Y200-W203 WeakPolarHBondContact O-CB 3.35Å; Y200-W203 PolarHBondContact O-N 3.08Å; E201-W203 PolarHBondContact O-N 3.33Å
204Q59.3Low88.5Confident200 Ų20090.4 Ų90.494%0.93541%0.408SS*.  trans-85.40173.9-64.9-144.3-44.900111.1Y200 E201Y200-Q204 HydrophobicContact CE1-CG 4.3Å; Y200-Q204 PolarHBondContact OH-NE2 3.49Å; E201-Q204 PolarHBondContact O-N 3.2Å

Retrieved 204 of 204 residues in 46.7 ms (Link to these results)

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