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Phosphomannomutase

Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.

AlphaFold DB , UniProt , Accession A0A060X6L1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486421, Length 260 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
1M33.2Very low53.8Low244 Ų244126.6 Ų126.6100%1.20271%0.713SS**  086.30-76.6170.917400105E3M1-E3 PolarHBondContact O-N 3.17Å
2D34.5Very low57.4Low164 Ų164120.2 Ų120.288%0.87767%0.674SS**  trans-79.5107.8172.8-97.4-34.2000106.8S4D2-S4 PolarHBondContact O-N 3.47Å
3E35.6Very low60.6Low190 Ų190110.9 Ų110.989%0.88862%0.623SS**  trans-72.489.3162.5-74.3-172.7161.800107.5M1 N5M1-E3 PolarHBondContact O-N 3.17Å; E3-N5 VanDerWaalsContact C-N 3.28Å; E3-N5 PolarHBondContact O-N 2.78Å
4S40.5Very low63.3Low112 Ų112103 Ų10378%0.78358%0.578SS**  trans-59.995.7162.455.90000108D2 G6D2-S4 PolarHBondContact O-N 3.47Å; S4-G6 PolarHBondContact O-N 2.99Å
5N38.5Very low65.6Low162 Ų16296.1 Ų96.187%0.86654%0.54SS*.  trans-66.788.4172.2-15710.6000107.6E3 S7E3-N5 VanDerWaalsContact C-N 3.28Å; E3-N5 PolarHBondContact O-N 2.78Å; N5-S7 VanDerWaalsContact C-N 3.26Å; N5-S7 PolarHBondContact O-N 3.12Å
6G39Very low67.7Low69 Ų6990.1 Ų90.171%0.71151%0.506SS*.  trans-66.483.617900000110.3S4 S8S4-G6 PolarHBondContact O-N 2.99Å; G6-S8 PolarHBondContact O-N 3.07Å
7S48.6Very low69.5Low103 Ų10385.2 Ų85.272%0.7248%0.478SS*.  trans-58.8107.9162.2-179.60000106.7N5 K9N5-S7 VanDerWaalsContact C-N 3.26Å; N5-S7 PolarHBondContact O-N 3.12Å; S7-K9 PolarHBondContact O-N 3.17Å; S7-K9 VanDerWaalsContact O-N 3.07Å
8S59.5Low71Confident96 Ų9680.7 Ų80.767%0.67145%0.453SS*.  trans-54.8121.7171.766.80000107.4G6 R10G6-S8 PolarHBondContact O-N 3.07Å; S8-R10 PolarHBondContact O-N 2.6Å
9K77.4Confident72.2Confident157 Ų15778.6 Ų78.668%0.68344%0.441SS*.  trans-56.3111.2179.8-171.2-177.2179.4-167.70108.4S7 T11S7-K9 PolarHBondContact O-N 3.17Å; S7-K9 VanDerWaalsContact O-N 3.07Å; K9-T11 HydrophobicContact CD-CG2 4.25Å; K9-T11 HydrophobicContact CG-CG2 4.15Å; K9-T11 PolarHBondContact O-N 2.68Å; K9-T11 VanDerWaalsContact O-N 3.17Å
10R90.4Very high73.3Confident63 Ų6375.2 Ų75.224%0.23842%0.423CS..  trans-69.7107173.2-65.7176.8-69.1145.35.7107.6S8 R41 V44 K45 D72S8-R10 PolarHBondContact O-N 2.6Å; R10-R41 WeakPolarHBondContact CD-O 3.44Å; R10-R41 PolarHBondContact NH1-O 2.75Å; R10-V44 PolarHBondContact NH1-O 3.01Å; R10-K45 HydrophobicContact CB-CG 3.85Å; R10-K45 WeakPolarHBondContact O-CE 3.35Å; R10-D72 IonicContact CZ-OD1 2.9Å; R10-D72 IonicContact CZ-OD2 3.68Å; R10-D72 IonicContact NH1-OD1 3.81Å; R10-D72 PolarHBondContact NH1-OD1 2.95Å; R10-D72 IonicContact NH1-OD2 3.15Å; R10-D72 PolarHBondContact NH1-OD2 3.08Å; R10-D72 IonicContact NH2-OD1 3.48Å; R10-D72 PolarHBondContact NH2-OD1 3.38Å; R10-D72 IonicContact NH2-OD2 3.77Å
11T94.2Very high74.4Confident33 Ų3371.6 Ų71.620%0.20240%0.403CS..  trans-101.7-7.9-177.954.70000113.6K9 L208 D209K9-T11 HydrophobicContact CD-CG2 4.25Å; K9-T11 HydrophobicContact CG-CG2 4.15Å; K9-T11 PolarHBondContact O-N 2.68Å; K9-T11 VanDerWaalsContact O-N 3.17Å; T11-L208 CarbonylContact O-C 3.56Å; T11-L208 WeakPolarHBondContact O-CA 3.43Å; T11-L208 WeakPolarHBondContact O-CB 3.37Å; T11-L208 WeakPolarHBondContact O-CD2 3.49Å; T11-D209 WeakPolarHBondContact CB-OD2 3.42Å; T11-D209 PolarHBondContact O-N 3.1Å; T11-D209 PolarHBondContact OG1-OD2 3.46Å
12I97.5Very high77.5Confident49 Ų4960 Ų6025%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-97.5138.3173.3-61173.2000109.2V44 K45 Y212 F252I12-V44 HydrophobicContact CB-CB 4.3Å; I12-V44 HydrophobicContact CB-CG1 3.89Å; I12-V44 HydrophobicContact CG2-CB 4.31Å; I12-V44 HydrophobicContact CG2-CG1 3.94Å; I12-K45 PolarHBondContact O-N 2.86Å; I12-Y212 HydrophobicContact CG2-CD2 3.63Å; I12-Y212 HydrophobicContact CG2-CE2 3.7Å; I12-F252 HydrophobicContact CD1-CE1 4.44Å; I12-F252 HydrophobicContact CG2-CE1 4Å; I12-F252 HydrophobicContact CG2-CZ 4.24Å
13L98.3Very high80.4Confident0 Ų052.1 Ų52.10%030%0.304CS..EExtended strand (participates in β ladder)trans-114.5130.6170173.463.4000110.2L15 K45 Y73 L203 L208 A210 I211 Y212L13-L15 HydrophobicContact CD2-CB 4.47Å; L13-L15 HydrophobicContact CG-CB 4.41Å; L13-K45 CarbonylContact C-O 3.52Å; L13-K45 WeakPolarHBondContact CA-O 3.09Å; L13-K45 HydrophobicContact CB-CB 4.41Å; L13-K45 HydrophobicContact CD1-CB 3.83Å; L13-Y73 HydrophobicContact CD1-CD2 3.97Å; L13-Y73 HydrophobicContact CD1-CE2 4.29Å; L13-Y73 HydrophobicContact CD2-CD2 4.36Å; L13-Y73 HydrophobicContact CD2-CE2 4.5Å; L13-L203 HydrophobicContact CD2-CD1 3.58Å; L13-L203 HydrophobicContact CD2-CD2 3.63Å; L13-L203 HydrophobicContact CD2-CG 4.22Å; L13-L208 HydrophobicContact CB-CD1 3.8Å; L13-L208 HydrophobicContact CB-CD2 4.27Å; L13-L208 HydrophobicContact CD2-CD1 3.88Å; L13-A210 PolarHBondContact N-O 3.01Å; L13-I211 HydrophobicContact CD2-CG2 4.33Å; L13-I211 WeakPolarHBondContact O-CA 3.48Å; L13-Y212 PolarHBondContact O-N 2.98Å
14C98.7Very high83.1Confident0 Ų045.6 Ų45.60%028%0.278CS..EExtended strand (participates in β ladder)trans-97.7116158.9-63.90000109F16 L40 K45 I46 G47 Y212 F214 F252C14-F16 HydrophobicContact CB-CD2 4.49Å; C14-F16 HydrophobicContact CB-CE1 4.26Å; C14-F16 HydrophobicContact CB-CE2 3.51Å; C14-F16 HydrophobicContact CB-CZ 3.36Å; C14-F16 WeakPolarHBondContact O-CE2 3.44Å; C14-L40 HydrophobicContact CB-CD2 4.43Å; C14-K45 PolarHBondContact N-O 3.43Å; C14-I46 HydrophobicContact CB-CG2 4.41Å; C14-I46 CarbonylContact O-C 3.51Å; C14-I46 VanDerWaalsContact O-CA 3.31Å; C14-I46 WeakPolarHBondContact O-CA 3.19Å; C14-G47 PolarHBondContact O-N 3.46Å; C14-Y212 CarbonylContact C-O 3.55Å; C14-Y212 WeakPolarHBondContact CA-O 3.25Å; C14-F214 HydrophobicContact CB-CE2 3.97Å; C14-F252 WeakPolarHBondContact SG-CE2 3.11Å; C14-F252 WeakPolarHBondContact SG-CZ 3.43Å
15L98.7Very high85.3Confident0 Ų044.5 Ų44.50%027%0.268CS..EExtended strand (participates in β ladder)trans-105.8125.6178-17663.7000108.9L13 G47 V49 F75 L200 L203 I211 Y212 F213 F214 I227L13-L15 HydrophobicContact CD2-CB 4.47Å; L13-L15 HydrophobicContact CG-CB 4.41Å; L15-G47 WeakPolarHBondContact CA-O 3.45Å; L15-V49 HydrophobicContact CD1-CB 4.2Å; L15-V49 HydrophobicContact CD1-CG1 4.1Å; L15-V49 HydrophobicContact CD2-CG1 4.09Å; L15-V49 HydrophobicContact CG-CG1 3.92Å; L15-F75 HydrophobicContact CD1-CD2 3.94Å; L15-F75 HydrophobicContact CD1-CE2 4.1Å; L15-L200 HydrophobicContact CD2-CD2 4.37Å; L15-L203 HydrophobicContact CD2-CD1 4.26Å; L15-I211 HydrophobicContact CB-CG2 4.26Å; L15-Y212 PolarHBondContact N-O 2.99Å; L15-F213 HydrophobicContact CB-CD2 4.37Å; L15-F213 HydrophobicContact CD2-CD2 4.22Å; L15-F213 HydrophobicContact CG-CD2 4.16Å; L15-F213 CarbonylContact O-C 3.54Å; L15-F213 WeakPolarHBondContact O-CA 3.19Å; L15-F214 PolarHBondContact O-N 3Å; L15-I227 HydrophobicContact CD2-CD1 3.76Å
16F98.8Very high87.3Confident0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-116.7136.8-174.1-54.8-85000110.8C14 T21 L22 F37 L40 I46 G47 I48 V49 F214 T244C14-F16 HydrophobicContact CB-CD2 4.49Å; C14-F16 HydrophobicContact CB-CE1 4.26Å; C14-F16 HydrophobicContact CB-CE2 3.51Å; C14-F16 HydrophobicContact CB-CZ 3.36Å; C14-F16 WeakPolarHBondContact O-CE2 3.44Å; F16-T21 HydrophobicContact CB-CG2 4.31Å; F16-L22 HydrophobicContact CB-CD1 3.72Å; F16-L22 HydrophobicContact CB-CD2 4Å; F16-L22 HydrophobicContact CB-CG 3.8Å; F16-L22 HydrophobicContact CD1-CD2 3.96Å; F16-L22 HydrophobicContact CD2-CD2 4.45Å; F16-L22 HydrophobicContact CG-CD1 4.25Å; F16-L22 HydrophobicContact CG-CD2 3.89Å; F16-L22 HydrophobicContact CG-CG 4.26Å; F16-F37 HydrophobicContact CE1-CE1 4.1Å; F16-F37 HydrophobicContact CZ-CD1 4.25Å; F16-F37 HydrophobicContact CZ-CE1 4.17Å; F16-L40 HydrophobicContact CE2-CD2 4.39Å; F16-L40 HydrophobicContact CZ-CD2 3.76Å; F16-I46 HydrophobicContact CE2-CB 4.08Å; F16-I46 HydrophobicContact CE2-CG2 4.05Å; F16-G47 WeakPolarHBondContact CD2-O 3.27Å; F16-G47 PolarHBondContact N-O 3.48Å; F16-I48 CarbonylContact O-C 3.57Å; F16-I48 VanDerWaalsContact O-CA 3.26Å; F16-I48 WeakPolarHBondContact O-CA 3.42Å; F16-V49 PolarHBondContact O-N 3.06Å; F16-F214 HydrophobicContact CD1-CB 3.72Å; F16-F214 AromaticContact CD1-CD2 3.59Å; F16-F214 HydrophobicContact CD1-CD2 3.59Å; F16-F214 HydrophobicContact CD1-CE2 4.47Å; F16-F214 AromaticContact CD1-CG 3.83Å; F16-F214 HydrophobicContact CD1-CG 3.83Å; F16-F214 HydrophobicContact CE1-CB 4.21Å; F16-F214 AromaticContact CE1-CD2 3.34Å; F16-F214 HydrophobicContact CE1-CD2 3.34Å; F16-F214 AromaticContact CE1-CE2 3.8Å; F16-F214 HydrophobicContact CE1-CE2 3.8Å; F16-F214 AromaticContact CE1-CG 3.79Å; F16-F214 HydrophobicContact CE1-CG 3.79Å; F16-F214 HydrophobicContact CZ-CD2 4.12Å; F16-F214 HydrophobicContact CZ-CE2 4.25Å; F16-T244 HydrophobicContact CD1-CG2 3.67Å; F16-T244 HydrophobicContact CE1-CG2 3.68Å
17D98.2Very high89.8Confident7 Ų748.6 Ų48.64%0.03726%0.255CS..  trans-60.7164.7151.3170.160.2000111D19 T21 L22 V49 K196 F213 F214 N216D17-D19 PolarHBondContact OD2-N 3.05Å; D17-T21 HydrophobicContact CB-CG2 4.1Å; D17-T21 WeakPolarHBondContact CB-OG1 3.23Å; D17-T21 VanDerWaalsContact O-CB 3.29Å; D17-T21 WeakPolarHBondContact O-CB 3.24Å; D17-T21 VanDerWaalsContact O-CG2 3.26Å; D17-T21 WeakPolarHBondContact O-CG2 3.39Å; D17-T21 WeakPolarHBondContact OD2-CB 3.47Å; D17-T21 PolarHBondContact OD2-OG1 3.17Å; D17-L22 WeakPolarHBondContact O-CG 3.39Å; D17-V49 WeakPolarHBondContact CA-O 3.49Å; D17-K196 VanDerWaalsContact CG-NZ 3.31Å; D17-K196 IonicContact OD1-NZ 3.83Å; D17-K196 PolarHBondContact OD1-NZ 3.04Å; D17-F213 HydrophobicContact CB-CZ 4.4Å; D17-F214 PolarHBondContact N-O 3.25Å; D17-N216 PolarHBondContact OD2-OD1 2.97Å
18V96.3Very high92Very high4 Ų449.4 Ų49.42%0.02425%0.246CC..SBendtrans-99.1-64.9-178.3-174.90000111.8G20 T21 L22 T23 I48 I57 L61V18-G20 PolarHBondContact O-N 3.25Å; V18-T21 PolarHBondContact O-N 3.01Å; V18-L22 PolarHBondContact O-N 3.46Å; V18-T23 PolarHBondContact O-N 3.16Å; V18-T23 VanDerWaalsContact O-N 3.14Å; V18-T23 PolarHBondContact O-OG1 2.99Å; V18-I48 HydrophobicContact CG2-CB 4.29Å; V18-I57 HydrophobicContact CG2-CG2 4.48Å; V18-L61 HydrophobicContact CG1-CD1 4.25Å; V18-L61 HydrophobicContact CG1-CG 4.42Å; V18-L61 HydrophobicContact CG2-CD1 4.35Å
19D93.7Very high93.8Very high41 Ų4145.8 Ų45.822%0.21922%0.219CC..BIsolated β-bridgetrans-79.3111.7-167.2-84.8-34.7000112.4D17 R26 Q60 N216D17-D19 PolarHBondContact OD2-N 3.05Å; D19-R26 PolarHBondContact OD1-N 3.34Å; D19-Q60 PolarHBondContact OD1-NE2 3.48Å; D19-N216 PolarHBondContact O-ND2 2.93Å; D19-N216 PolarHBondContact O-OD1 3.19Å
20G93.5Very high94.7Very high9 Ų941.9 Ų41.99%0.09321%0.205CC..THydrogen-bonded Turntrans84.8-8.1-174.300000113.8V18 T23V18-G20 PolarHBondContact O-N 3.25Å; G20-T23 WeakPolarHBondContact CA-O 3.47Å; G20-T23 PolarHBondContact N-O 2.95Å
21T98.1Very high95Very high0 Ų043.3 Ų43.30%022%0.223CC..THydrogen-bonded Turntrans-104.4-47.3178.9-61.30000112.2F16 D17 V18 F214 N216 V238 P241 T244F16-T21 HydrophobicContact CB-CG2 4.31Å; D17-T21 HydrophobicContact CB-CG2 4.1Å; D17-T21 WeakPolarHBondContact CB-OG1 3.23Å; D17-T21 VanDerWaalsContact O-CB 3.29Å; D17-T21 WeakPolarHBondContact O-CB 3.24Å; D17-T21 VanDerWaalsContact O-CG2 3.26Å; D17-T21 WeakPolarHBondContact O-CG2 3.39Å; D17-T21 WeakPolarHBondContact OD2-CB 3.47Å; D17-T21 PolarHBondContact OD2-OG1 3.17Å; V18-T21 PolarHBondContact O-N 3.01Å; T21-F214 HydrophobicContact CG2-CB 4.18Å; T21-F214 WeakPolarHBondContact CG2-O 3.45Å; T21-N216 PolarHBondContact OG1-N 3.46Å; T21-V238 HydrophobicContact CG2-CG2 3.98Å; T21-P241 WeakPolarHBondContact O-CA 3.37Å; T21-T244 HydrophobicContact CG2-CG2 4.41Å; T21-T244 WeakPolarHBondContact O-CB 3.32Å; T21-T244 PolarHBondContact O-OG1 3.19Å
22L97.6Very high95.2Very high0 Ų049.4 Ų49.40%025%0.247CC..THydrogen-bonded Turntrans-111-27.1175.6-69.6-178.4000112.8F16 D17 V18 F37 I48 L61 F71 P241 T244F16-L22 HydrophobicContact CB-CD1 3.72Å; F16-L22 HydrophobicContact CB-CD2 4Å; F16-L22 HydrophobicContact CB-CG 3.8Å; F16-L22 HydrophobicContact CD1-CD2 3.96Å; F16-L22 HydrophobicContact CD2-CD2 4.45Å; F16-L22 HydrophobicContact CG-CD1 4.25Å; F16-L22 HydrophobicContact CG-CD2 3.89Å; F16-L22 HydrophobicContact CG-CG 4.26Å; D17-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.46Å; L22-F37 HydrophobicContact CD2-CD1 4.25Å; L22-F37 HydrophobicContact CD2-CD2 3.99Å; L22-F37 HydrophobicContact CD2-CE1 3.71Å; L22-F37 HydrophobicContact CD2-CE2 3.43Å; L22-F37 VanDerWaalsContact CD2-CE2 3.43Å; L22-F37 HydrophobicContact CD2-CG 4.39Å; L22-F37 HydrophobicContact CD2-CZ 3.28Å; L22-I48 HydrophobicContact CD1-CG2 3.54Å; L22-L61 HydrophobicContact CB-CD2 4.37Å; L22-L61 HydrophobicContact CD1-CD2 4.41Å; L22-F71 HydrophobicContact CD1-CE1 4.27Å; L22-F71 HydrophobicContact CD1-CZ 4.21Å; L22-P241 WeakPolarHBondContact O-CB 3.24Å; L22-T244 HydrophobicContact CD2-CG2 4.43Å
23T96Very high95.2Very high0 Ų047.7 Ų47.70%024%0.238CC..BIsolated β-bridgetrans-132.4159.7-179.663.80000110.2V18 G20 E27 I29 Q60 L61V18-T23 PolarHBondContact O-N 3.16Å; V18-T23 VanDerWaalsContact O-N 3.14Å; V18-T23 PolarHBondContact O-OG1 2.99Å; G20-T23 WeakPolarHBondContact CA-O 3.47Å; G20-T23 PolarHBondContact N-O 2.95Å; T23-E27 WeakPolarHBondContact CB-O 3.49Å; T23-I29 HydrophobicContact CG2-CB 3.76Å; T23-I29 HydrophobicContact CG2-CG1 4.36Å; T23-Q60 HydrophobicContact CG2-CB 4.4Å; T23-Q60 PolarHBondContact OG1-NE2 2.96Å; T23-L61 HydrophobicContact CG2-CD2 3.73Å
24P92.5Very high95.1Very high52 Ų5248.9 Ų48.934%0.33824%0.244SC..SBendtrans-59.7149.5158.8-15.529.2000109.7R26 E27P24-R26 PolarHBondContact O-N 2.77Å; P24-R26 VanDerWaalsContact O-N 3.12Å; P24-E27 HydrophobicContact CB-CB 3.99Å; P24-E27 HydrophobicContact CB-CG 4.21Å; P24-E27 HydrophobicContact CG-CB 4.26Å; P24-E27 PolarHBondContact O-N 2.89Å
25P85.3Confident95.1Very high89 Ų8955.3 Ų55.358%0.57827%0.274SS*.THydrogen-bonded Turntrans-53.7119.9-174.2-28.135.2000113.3E27P25-E27 PolarHBondContact O-N 2.97Å
26R80.8Confident95.1Very high198 Ų19856.3 Ų56.375%0.74728%0.278SS*.THydrogen-bonded Turntrans61.218.5-177.7-52.9-178.4-179.6169.43.6115.5D19 P24D19-R26 PolarHBondContact OD1-N 3.34Å; P24-R26 PolarHBondContact O-N 2.77Å; P24-R26 VanDerWaalsContact O-N 3.12Å
27E90.8Very high95.1Very high119 Ų11956.3 Ų56.356%0.55628%0.278SS*.SBendtrans-107.6168.4174.9-61.7-172.3-160.200111.1T23 P24 P25 Q60T23-E27 WeakPolarHBondContact CB-O 3.49Å; P24-E27 HydrophobicContact CB-CB 3.99Å; P24-E27 HydrophobicContact CB-CG 4.21Å; P24-E27 HydrophobicContact CG-CB 4.26Å; P24-E27 PolarHBondContact O-N 2.89Å; P25-E27 PolarHBondContact O-N 2.97Å; E27-Q60 WeakPolarHBondContact O-CG 3.44Å; E27-Q60 PolarHBondContact O-NE2 3.08Å; E27-Q60 VanDerWaalsContact O-NE2 3.08Å
28K95.5Very high95Very high121 Ų12158.2 Ų58.253%0.52629%0.287SS..PPolyproline II helixtrans-73.8151.2175.8-70.1-164.2171.8-166.20111.3E59 Q60K28-E59 WeakPolarHBondContact CE-O 3.35Å; K28-Q60 CarbonylContact C-O 3.53Å; K28-Q60 WeakPolarHBondContact CA-O 3.47Å
29I97Very high95.1Very high20 Ų2059.6 Ų59.610%0.10330%0.297CS..PPolyproline II helixtrans-61.8139.7172.4-167.6164.4000111.4T23 L33 D34 F37 Q60 L61T23-I29 HydrophobicContact CG2-CB 3.76Å; T23-I29 HydrophobicContact CG2-CG1 4.36Å; I29-L33 HydrophobicContact CG1-CB 4.32Å; I29-D34 HydrophobicContact CD1-CB 4.03Å; I29-D34 HydrophobicContact CG1-CB 4.28Å; I29-D34 HydrophobicContact CG2-CB 4.13Å; I29-F37 HydrophobicContact CD1-CD2 4.11Å; I29-F37 HydrophobicContact CD1-CE2 4.44Å; I29-Q60 PolarHBondContact N-O 3.28Å; I29-L61 HydrophobicContact CB-CD2 4.09Å; I29-L61 HydrophobicContact CD1-CD2 4.02Å
30D97.3Very high95.3Very high75 Ų7557.7 Ų57.740%0.40129%0.287SS..PPolyproline II helixtrans-65.1130.5170.6-179-71.3000109.6K32 L33 D34D30-K32 VanDerWaalsContact C-N 3.25Å; D30-K32 PolarHBondContact O-N 2.8Å; D30-K32 VanDerWaalsContact O-N 3.16Å; D30-K32 WeakPolarHBondContact OD1-CA 3.28Å; D30-K32 VanDerWaalsContact OD1-CB 3.24Å; D30-K32 WeakPolarHBondContact OD1-CB 3.37Å; D30-K32 PolarHBondContact OD1-N 3.01Å; D30-L33 HydrophobicContact CB-CB 4.22Å; D30-L33 HydrophobicContact CB-CD1 3.98Å; D30-L33 HydrophobicContact CB-CG 4.09Å; D30-L33 WeakPolarHBondContact O-CA 3.26Å; D30-L33 WeakPolarHBondContact O-CB 3.12Å; D30-L33 PolarHBondContact O-N 3.09Å; D30-L33 PolarHBondContact OD1-N 3.46Å; D30-D34 PolarHBondContact O-N 3.42Å
31P97Very high95.5Very high93 Ų9359.9 Ų59.960%0.60429%0.292SS*.Hα-helixtrans-55-35.2-178.1-28.435.5000114.7L33 D34 E35P31-L33 VanDerWaalsContact C-N 3.35Å; P31-D34 PolarHBondContact O-N 3.06Å; P31-E35 WeakPolarHBondContact O-CG 3.24Å; P31-E35 PolarHBondContact O-N 2.93Å
32K97.6Very high95.4Very high161 Ų16168.7 Ų68.770%0.733%0.326SS*.Hα-helixtrans-71.5-32.6178.2-60.8176.2179.2171.50111.8D30 F36D30-K32 VanDerWaalsContact C-N 3.25Å; D30-K32 PolarHBondContact O-N 2.8Å; D30-K32 VanDerWaalsContact O-N 3.16Å; D30-K32 WeakPolarHBondContact OD1-CA 3.28Å; D30-K32 VanDerWaalsContact OD1-CB 3.24Å; D30-K32 WeakPolarHBondContact OD1-CB 3.37Å; D30-K32 PolarHBondContact OD1-N 3.01Å; K32-F36 WeakPolarHBondContact O-CB 3.47Å; K32-F36 PolarHBondContact O-N 3.14Å; K32-F36 VanDerWaalsContact O-N 3.13Å
33L97.4Very high95.3Very high13 Ų1373.9 Ų73.97%0.06835%0.348CS..Hα-helixtrans-71.5-42173.7-69.2177.7000110.6I29 D30 P31 E35 F36 F37 P241 A245I29-L33 HydrophobicContact CG1-CB 4.32Å; D30-L33 HydrophobicContact CB-CB 4.22Å; D30-L33 HydrophobicContact CB-CD1 3.98Å; D30-L33 HydrophobicContact CB-CG 4.09Å; D30-L33 WeakPolarHBondContact O-CA 3.26Å; D30-L33 WeakPolarHBondContact O-CB 3.12Å; D30-L33 PolarHBondContact O-N 3.09Å; D30-L33 PolarHBondContact OD1-N 3.46Å; P31-L33 VanDerWaalsContact C-N 3.35Å; L33-E35 PolarHBondContact O-N 3.21Å; L33-F36 WeakPolarHBondContact O-CA 3.35Å; L33-F36 WeakPolarHBondContact O-CB 3.42Å; L33-F36 PolarHBondContact O-N 2.8Å; L33-F36 VanDerWaalsContact O-N 3.1Å; L33-F37 HydrophobicContact CB-CD2 4.42Å; L33-F37 HydrophobicContact CB-CE2 4.06Å; L33-F37 WeakPolarHBondContact O-CD2 3.38Å; L33-F37 PolarHBondContact O-N 2.81Å; L33-P241 HydrophobicContact CD1-CB 3.34Å; L33-A245 HydrophobicContact CD2-CB 3.82Å
34D97.5Very high95.3Very high25 Ų2574.2 Ų74.213%0.13435%0.35CS..Hα-helixtrans-56.9-50173.9-171.440.1000111.1I29 D30 P31 F36 F37 Q38 K70I29-D34 HydrophobicContact CD1-CB 4.03Å; I29-D34 HydrophobicContact CG1-CB 4.28Å; I29-D34 HydrophobicContact CG2-CB 4.13Å; D30-D34 PolarHBondContact O-N 3.42Å; P31-D34 PolarHBondContact O-N 3.06Å; D34-F36 PolarHBondContact O-N 3Å; D34-F37 PolarHBondContact O-N 3.49Å; D34-F37 VanDerWaalsContact O-N 3.11Å; D34-Q38 WeakPolarHBondContact O-CG 3.38Å; D34-Q38 PolarHBondContact O-N 2.77Å; D34-Q38 PolarHBondContact OD1-NE2 2.76Å; D34-K70 IonicContact OD1-NZ 2.66Å; D34-K70 IonicContact OD2-NZ 2.7Å; D34-K70 PolarHBondContact OD2-NZ 2.9Å
35E97.8Very high95.6Very high134 Ų13473.3 Ų73.363%0.62634%0.341SS*.Hα-helixtrans-55.4-38.6174.5-76.5179.4-176.500113.1P31 L33 S39P31-E35 WeakPolarHBondContact O-CG 3.24Å; P31-E35 PolarHBondContact O-N 2.93Å; L33-E35 PolarHBondContact O-N 3.21Å; E35-S39 PolarHBondContact O-N 2.81Å; E35-S39 PolarHBondContact O-OG 2.95Å
36F98.1Very high96.2Very high21 Ų2169 Ų699%0.09231%0.313CS..Hα-helixtrans-65.8-46.8175.8170-98.1000111.9K32 L33 D34 Q38 S39 L40 A245 C248 R249 F253K32-F36 WeakPolarHBondContact O-CB 3.47Å; K32-F36 PolarHBondContact O-N 3.14Å; K32-F36 VanDerWaalsContact O-N 3.13Å; L33-F36 WeakPolarHBondContact O-CA 3.35Å; L33-F36 WeakPolarHBondContact O-CB 3.42Å; L33-F36 PolarHBondContact O-N 2.8Å; L33-F36 VanDerWaalsContact O-N 3.1Å; D34-F36 PolarHBondContact O-N 3Å; F36-Q38 VanDerWaalsContact C-N 3.34Å; F36-Q38 PolarHBondContact O-N 2.94Å; F36-S39 CarbonylContact O-C 3.57Å; F36-S39 WeakPolarHBondContact O-CA 3.14Å; F36-S39 VanDerWaalsContact O-CB 3.26Å; F36-S39 WeakPolarHBondContact O-CB 3.38Å; F36-S39 PolarHBondContact O-N 2.87Å; F36-L40 PolarHBondContact O-N 3.07Å; F36-A245 HydrophobicContact CD1-CB 3.69Å; F36-A245 HydrophobicContact CE1-CB 3.66Å; F36-A245 HydrophobicContact CG-CB 4.43Å; F36-A245 HydrophobicContact CZ-CB 4.38Å; F36-A245 WeakPolarHBondContact CZ-O 3.17Å; F36-C248 HydrophobicContact CE1-CB 3.83Å; F36-C248 HydrophobicContact CZ-CB 3.73Å; F36-R249 HydrophobicContact CD2-CG 4.4Å; F36-R249 HydrophobicContact CE2-CG 3.39Å; F36-R249 HydrophobicContact CZ-CG 3.63Å; F36-F253 HydrophobicContact CE2-CD2 4.34Å; F36-F253 AromaticContact CE2-CE2 3.93Å; F36-F253 HydrophobicContact CE2-CE2 3.93Å; F36-F253 HydrophobicContact CE2-CZ 4.37Å; F36-F253 HydrophobicContact CZ-CE2 4.08Å
37F98.2Very high97.1Very high0 Ų059.6 Ų59.60%028%0.278CS..Hα-helixtrans-66.9-35.2179.1-67-62.8000112F16 L22 I29 L33 D34 S39 L40 R41 I46 T244F16-F37 HydrophobicContact CE1-CE1 4.1Å; F16-F37 HydrophobicContact CZ-CD1 4.25Å; F16-F37 HydrophobicContact CZ-CE1 4.17Å; L22-F37 HydrophobicContact CD2-CD1 4.25Å; L22-F37 HydrophobicContact CD2-CD2 3.99Å; L22-F37 HydrophobicContact CD2-CE1 3.71Å; L22-F37 HydrophobicContact CD2-CE2 3.43Å; L22-F37 VanDerWaalsContact CD2-CE2 3.43Å; L22-F37 HydrophobicContact CD2-CG 4.39Å; L22-F37 HydrophobicContact CD2-CZ 3.28Å; I29-F37 HydrophobicContact CD1-CD2 4.11Å; I29-F37 HydrophobicContact CD1-CE2 4.44Å; L33-F37 HydrophobicContact CB-CD2 4.42Å; L33-F37 HydrophobicContact CB-CE2 4.06Å; L33-F37 WeakPolarHBondContact O-CD2 3.38Å; L33-F37 PolarHBondContact O-N 2.81Å; D34-F37 PolarHBondContact O-N 3.49Å; D34-F37 VanDerWaalsContact O-N 3.11Å; F37-S39 PolarHBondContact O-N 2.83Å; F37-L40 HydrophobicContact CD1-CD2 4.24Å; F37-L40 WeakPolarHBondContact O-CB 3.48Å; F37-L40 PolarHBondContact O-N 3.01Å; F37-L40 VanDerWaalsContact O-N 3.16Å; F37-R41 PolarHBondContact O-N 2.99Å; F37-I46 HydrophobicContact CB-CD1 4.39Å; F37-T244 HydrophobicContact CE1-CG2 4.16Å; F37-T244 HydrophobicContact CZ-CG2 4.08Å
38Q97.9Very high97.4Very high47 Ų4754 Ų5422%0.2225%0.251CS..Hα-helixtrans-62.1-33.1169.3-62.7-43.5-52.500112.1D34 F36 K70D34-Q38 WeakPolarHBondContact O-CG 3.38Å; D34-Q38 PolarHBondContact O-N 2.77Å; D34-Q38 PolarHBondContact OD1-NE2 2.76Å; F36-Q38 VanDerWaalsContact C-N 3.34Å; F36-Q38 PolarHBondContact O-N 2.94Å; Q38-K70 PolarHBondContact NE2-O 2.89Å; Q38-K70 PolarHBondContact OE1-O 2.88Å
39S97.6Very high97.5Very high34 Ų3448.2 Ų48.224%0.23823%0.226CC..Hα-helixtrans-71.5-37.4173.4-59.90000112.8E35 F36 F37 R42E35-S39 PolarHBondContact O-N 2.81Å; E35-S39 PolarHBondContact O-OG 2.95Å; F36-S39 CarbonylContact O-C 3.57Å; F36-S39 WeakPolarHBondContact O-CA 3.14Å; F36-S39 VanDerWaalsContact O-CB 3.26Å; F36-S39 WeakPolarHBondContact O-CB 3.38Å; F36-S39 PolarHBondContact O-N 2.87Å; F37-S39 PolarHBondContact O-N 2.83Å; S39-R42 VanDerWaalsContact CB-NH2 3.26Å; S39-R42 PolarHBondContact O-N 3.17Å; S39-R42 PolarHBondContact OG-NH2 2.85Å
40L97.7Very high97.3Very high0 Ų047.4 Ų47.40%022%0.223CC..Hα-helixtrans-63.1-41.4172.9177.165.8000111.5C14 F16 F36 F37 R42 K43 V44 I46 C248 F252 F253C14-L40 HydrophobicContact CB-CD2 4.43Å; F16-L40 HydrophobicContact CE2-CD2 4.39Å; F16-L40 HydrophobicContact CZ-CD2 3.76Å; F36-L40 PolarHBondContact O-N 3.07Å; F37-L40 HydrophobicContact CD1-CD2 4.24Å; F37-L40 WeakPolarHBondContact O-CB 3.48Å; F37-L40 PolarHBondContact O-N 3.01Å; F37-L40 VanDerWaalsContact O-N 3.16Å; L40-R42 PolarHBondContact O-N 2.82Å; L40-R42 VanDerWaalsContact O-N 3.11Å; L40-K43 WeakPolarHBondContact O-CB 3.32Å; L40-K43 PolarHBondContact O-N 2.84Å; L40-V44 HydrophobicContact CD1-CG2 3.65Å; L40-V44 HydrophobicContact CD2-CG2 4.47Å; L40-V44 HydrophobicContact CG-CG2 3.74Å; L40-V44 PolarHBondContact O-N 3.26Å; L40-V44 VanDerWaalsContact O-N 3.08Å; L40-I46 HydrophobicContact CD2-CG2 3.96Å; L40-I46 HydrophobicContact CG-CG2 4.01Å; L40-C248 HydrophobicContact CD1-CB 4.42Å; L40-C248 HydrophobicContact CD2-CB 3.95Å; L40-F252 HydrophobicContact CD1-CB 3.85Å; L40-F252 HydrophobicContact CD1-CD2 3.62Å; L40-F252 HydrophobicContact CD1-CE2 4.47Å; L40-F252 HydrophobicContact CD1-CG 3.89Å; L40-F253 HydrophobicContact CB-CE2 4.19Å; L40-F253 HydrophobicContact CB-CZ 4.34Å; L40-F253 HydrophobicContact CD1-CE2 3.75Å; L40-F253 HydrophobicContact CD1-CZ 4.47Å
41R97.4Very high96.9Very high55 Ų5545.2 Ų45.221%0.20822%0.218CC..Hα-helixtrans-56.2-28177.6-171.6171.1177.1-152.74.5114R10 F37 K43 V44 I46 Q69 K70 D72R10-R41 WeakPolarHBondContact CD-O 3.44Å; R10-R41 PolarHBondContact NH1-O 2.75Å; F37-R41 PolarHBondContact O-N 2.99Å; R41-K43 PolarHBondContact O-N 3.37Å; R41-V44 CarbonylContact C-O 3.43Å; R41-V44 VanDerWaalsContact C-O 3.27Å; R41-V44 VanDerWaalsContact CA-O 3.26Å; R41-V44 WeakPolarHBondContact CA-O 3.43Å; R41-I46 HydrophobicContact CB-CD1 3.77Å; R41-I46 HydrophobicContact CB-CG1 3.85Å; R41-I46 HydrophobicContact CB-CG2 4.38Å; R41-I46 HydrophobicContact CG-CD1 4.19Å; R41-I46 HydrophobicContact CG-CG1 3.84Å; R41-Q69 PolarHBondContact NH1-O 3.12Å; R41-Q69 PolarHBondContact NH2-O 3.11Å; R41-K70 WeakPolarHBondContact CD-O 3.43Å; R41-K70 PolarHBondContact NH1-O 3.08Å; R41-K70 VanDerWaalsContact NH1-O 3.08Å; R41-D72 IonicContact CZ-OD1 3.03Å; R41-D72 IonicContact NE-OD1 2.82Å; R41-D72 PolarHBondContact NE-OD1 2.89Å; R41-D72 IonicContact NE-OD2 3.26Å; R41-D72 PolarHBondContact NE-OD2 3.43Å; R41-D72 IonicContact NH2-OD1 2.75Å; R41-D72 PolarHBondContact NH2-OD1 3.37Å; R41-D72 VanDerWaalsContact NH2-OD1 3.12Å
42R95.7Very high96.4Very high186 Ų18642.3 Ų42.370%0.70220%0.2SC*.THydrogen-bonded Turntrans-68.4-21.5175-64.6-170.4-69-104.81.4113S39 L40S39-R42 VanDerWaalsContact CB-NH2 3.26Å; S39-R42 PolarHBondContact O-N 3.17Å; S39-R42 PolarHBondContact OG-NH2 2.85Å; L40-R42 PolarHBondContact O-N 2.82Å; L40-R42 VanDerWaalsContact O-N 3.11Å
43K95.4Very high95.9Very high109 Ų10936.6 Ų36.647%0.47418%0.177SC..THydrogen-bonded Turntrans-99.6-40.7179.9-63.6-166.3171.1-153.50113.1L40 R41 F252 F253L40-K43 WeakPolarHBondContact O-CB 3.32Å; L40-K43 PolarHBondContact O-N 2.84Å; R41-K43 PolarHBondContact O-N 3.37Å; K43-F252 VanDerWaalsContact CD-O 3.23Å; K43-F252 WeakPolarHBondContact CD-O 3.39Å; K43-F252 PolarHBondContact NZ-O 2.96Å; K43-F253 HydrophobicContact CD-CD1 4.18Å; K43-F253 HydrophobicContact CD-CE1 3.91Å; K43-F253 HydrophobicContact CD-CE2 4.46Å; K43-F253 HydrophobicContact CD-CZ 4.07Å
44V97.6Very high95.7Very high6 Ų637.2 Ų37.24%0.03618%0.179CC..SBendtrans-133.1163.9-176.7-61.80000109.9R10 I12 L40 R41 I46 F252R10-V44 PolarHBondContact NH1-O 3.01Å; I12-V44 HydrophobicContact CB-CB 4.3Å; I12-V44 HydrophobicContact CB-CG1 3.89Å; I12-V44 HydrophobicContact CG2-CB 4.31Å; I12-V44 HydrophobicContact CG2-CG1 3.94Å; L40-V44 HydrophobicContact CD1-CG2 3.65Å; L40-V44 HydrophobicContact CD2-CG2 4.47Å; L40-V44 HydrophobicContact CG-CG2 3.74Å; L40-V44 PolarHBondContact O-N 3.26Å; L40-V44 VanDerWaalsContact O-N 3.08Å; R41-V44 CarbonylContact C-O 3.43Å; R41-V44 VanDerWaalsContact C-O 3.27Å; R41-V44 VanDerWaalsContact CA-O 3.26Å; R41-V44 WeakPolarHBondContact CA-O 3.43Å; V44-I46 HydrophobicContact CG2-CG2 4.25Å; V44-F252 HydrophobicContact CG1-CD1 3.76Å; V44-F252 HydrophobicContact CG1-CE1 3.84Å; V44-F252 HydrophobicContact CG1-CG 4.4Å
45K98.1Very high95.4Very high33 Ų3340.1 Ų40.114%0.14320%0.201CC..EExtended strand (participates in β ladder)trans-69.1145.4165.3-61.8-167.3-175.9-178.80109R10 I12 L13 C14 D72 Y73 E206 L208R10-K45 HydrophobicContact CB-CG 3.85Å; R10-K45 WeakPolarHBondContact O-CE 3.35Å; I12-K45 PolarHBondContact O-N 2.86Å; L13-K45 CarbonylContact C-O 3.52Å; L13-K45 WeakPolarHBondContact CA-O 3.09Å; L13-K45 HydrophobicContact CB-CB 4.41Å; L13-K45 HydrophobicContact CD1-CB 3.83Å; C14-K45 PolarHBondContact N-O 3.43Å; K45-D72 WeakPolarHBondContact CA-OD2 3.32Å; K45-D72 HydrophobicContact CB-CB 4.32Å; K45-Y73 HydrophobicContact CD-CE2 3.83Å; K45-Y73 PolarHBondContact NZ-OH 3.49Å; K45-E206 IonicContact NZ-OE2 3.57Å; K45-L208 HydrophobicContact CD-CD2 4.13Å
46I98.5Very high94.9Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-122.8142.7170.664.4169.9000110.4C14 F16 F37 L40 R41 V44 F71 D72 Y73C14-I46 HydrophobicContact CB-CG2 4.41Å; C14-I46 CarbonylContact O-C 3.51Å; C14-I46 VanDerWaalsContact O-CA 3.31Å; C14-I46 WeakPolarHBondContact O-CA 3.19Å; F16-I46 HydrophobicContact CE2-CB 4.08Å; F16-I46 HydrophobicContact CE2-CG2 4.05Å; F37-I46 HydrophobicContact CB-CD1 4.39Å; L40-I46 HydrophobicContact CD2-CG2 3.96Å; L40-I46 HydrophobicContact CG-CG2 4.01Å; R41-I46 HydrophobicContact CB-CD1 3.77Å; R41-I46 HydrophobicContact CB-CG1 3.85Å; R41-I46 HydrophobicContact CB-CG2 4.38Å; R41-I46 HydrophobicContact CG-CD1 4.19Å; R41-I46 HydrophobicContact CG-CG1 3.84Å; V44-I46 HydrophobicContact CG2-CG2 4.25Å; I46-F71 HydrophobicContact CB-CD1 4.25Å; I46-F71 HydrophobicContact CD1-CD1 3.56Å; I46-F71 HydrophobicContact CD1-CE1 3.71Å; I46-F71 HydrophobicContact CD1-CG 4.38Å; I46-F71 HydrophobicContact CG1-CD1 3.71Å; I46-F71 HydrophobicContact CG1-CE1 4.31Å; I46-F71 HydrophobicContact CG1-CG 4.49Å; I46-D72 PolarHBondContact N-OD2 3.37Å; I46-D72 WeakPolarHBondContact O-CB 3.27Å; I46-D72 PolarHBondContact O-N 3.17Å; I46-Y73 PolarHBondContact O-N 3.35Å
47G98.4Very high94.7Very high0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-145162.817500000111.8C14 L15 F16 Y73C14-G47 PolarHBondContact O-N 3.46Å; L15-G47 WeakPolarHBondContact CA-O 3.45Å; F16-G47 WeakPolarHBondContact CD2-O 3.27Å; F16-G47 PolarHBondContact N-O 3.48Å; G47-Y73 CarbonylContact C-O 3.53Å; G47-Y73 WeakPolarHBondContact CA-O 3.43Å
48I98.5Very high94.4Very high0 Ų036.9 Ų36.90%019%0.186CC..EExtended strand (participates in β ladder)trans-123.2148.4176.859.1179.8000111.1F16 V18 L22 I57 L61 V67 F71 Y73 V74 F75F16-I48 CarbonylContact O-C 3.57Å; F16-I48 VanDerWaalsContact O-CA 3.26Å; F16-I48 WeakPolarHBondContact O-CA 3.42Å; V18-I48 HydrophobicContact CG2-CB 4.29Å; L22-I48 HydrophobicContact CD1-CG2 3.54Å; I48-I57 HydrophobicContact CD1-CG2 3.4Å; I48-I57 VanDerWaalsContact CD1-CG2 3.4Å; I48-L61 HydrophobicContact CD1-CD1 3.26Å; I48-L61 HydrophobicContact CG1-CD1 4.5Å; I48-L61 HydrophobicContact CG2-CD1 4.12Å; I48-V67 HydrophobicContact CD1-CG2 3.68Å; I48-F71 HydrophobicContact CD1-CD2 4.32Å; I48-F71 HydrophobicContact CG2-CD1 3.64Å; I48-F71 HydrophobicContact CG2-CD2 4.41Å; I48-F71 HydrophobicContact CG2-CE1 3.46Å; I48-F71 VanDerWaalsContact CG2-CE1 3.46Å; I48-F71 HydrophobicContact CG2-CE2 4.29Å; I48-F71 HydrophobicContact CG2-CG 4.13Å; I48-F71 HydrophobicContact CG2-CZ 3.82Å; I48-Y73 PolarHBondContact N-O 2.92Å; I48-V74 HydrophobicContact CD1-CB 4.38Å; I48-V74 HydrophobicContact CD1-CG1 3.86Å; I48-V74 HydrophobicContact CD1-CG2 4.06Å; I48-V74 HydrophobicContact CG1-CB 4.15Å; I48-V74 HydrophobicContact CG1-CG1 3.96Å; I48-V74 HydrophobicContact CG1-CG2 4.02Å; I48-F75 WeakPolarHBondContact O-CB 3.39Å; I48-F75 WeakPolarHBondContact O-CD2 3.39Å; I48-F75 PolarHBondContact O-N 3.36Å
49V97.6Very high94.2Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-136.7124.5172.260.60000110.8L15 F16 D17 F75 K196 C199 F213 I227L15-V49 HydrophobicContact CD1-CB 4.2Å; L15-V49 HydrophobicContact CD1-CG1 4.1Å; L15-V49 HydrophobicContact CD2-CG1 4.09Å; L15-V49 HydrophobicContact CG-CG1 3.92Å; F16-V49 PolarHBondContact O-N 3.06Å; D17-V49 WeakPolarHBondContact CA-O 3.49Å; V49-F75 WeakPolarHBondContact CA-O 3.46Å; V49-F75 HydrophobicContact CB-CB 3.97Å; V49-F75 HydrophobicContact CB-CD2 4.41Å; V49-F75 HydrophobicContact CG2-CB 3.9Å; V49-K196 HydrophobicContact CG1-CD 4.22Å; V49-K196 HydrophobicContact CG2-CB 4.14Å; V49-K196 HydrophobicContact CG2-CD 4.39Å; V49-K196 HydrophobicContact CG2-CG 3.93Å; V49-C199 HydrophobicContact CG2-CB 4.39Å; V49-F213 HydrophobicContact CG1-CE2 3.89Å; V49-I227 HydrophobicContact CG1-CD1 4.27Å
50G92.8Very high94Very high4 Ų439.9 Ų39.94%0.04120%0.196CC..  trans-143.5151-179.500000112.6S52 F75 A76 E77 N78G50-S52 VanDerWaalsContact C-N 3.26Å; G50-S52 PolarHBondContact O-N 3.35Å; G50-F75 PolarHBondContact N-O 3.36Å; G50-A76 CarbonylContact O-C 3.59Å; G50-E77 PolarHBondContact O-N 3.16Å; G50-N78 PolarHBondContact O-N 3.39Å
51G88.1Confident93.8Very high29 Ų2939.9 Ų39.930%0.29920%0.196SC..SBendtrans-75.8-13.2175.500000114.1N78G51-N78 WeakPolarHBondContact CA-OD1 3.38Å; G51-N78 PolarHBondContact N-OD1 3.2Å
52S86.3Confident93.5Very high32 Ų3237.8 Ų37.822%0.22419%0.192CC..SBendtrans-70.8156.5175.5-72.50000112.1G50 E77G50-S52 VanDerWaalsContact C-N 3.26Å; G50-S52 PolarHBondContact O-N 3.35Å; S52-E77 PolarHBondContact O-N 2.9Å
53D88.4Confident93Very high40 Ų4035.7 Ų35.721%0.21419%0.19CC..  trans-63.3160.9168.360.156.6000111.6S55 K56 I57D53-S55 VanDerWaalsContact C-N 3.3Å; D53-S55 PolarHBondContact O-N 2.87Å; D53-S55 PolarHBondContact OD1-N 3.07Å; D53-K56 PolarHBondContact O-N 3.38Å; D53-K56 WeakPolarHBondContact OD1-CB 3.46Å; D53-K56 WeakPolarHBondContact OD1-CG 3.41Å; D53-K56 PolarHBondContact OD1-N 3.31Å; D53-K56 IonicContact OD2-NZ 2.79Å; D53-K56 PolarHBondContact OD2-NZ 3.31Å; D53-I57 PolarHBondContact O-N 3.29Å
54Y91.7Very high92.6Very high27 Ų2733.3 Ų33.311%0.10620%0.197CC..Hα-helixtrans-56.7-42.8-177.8170.6-99.4000112.5K56 I57 A58 D65 V67 I68 V74 Y83Y54-K56 VanDerWaalsContact C-N 3.33Å; Y54-K56 PolarHBondContact O-N 3.29Å; Y54-I57 PolarHBondContact O-N 2.7Å; Y54-A58 HydrophobicContact CE1-CB 4.25Å; Y54-A58 VanDerWaalsContact O-CB 3.29Å; Y54-A58 WeakPolarHBondContact O-CB 3.37Å; Y54-A58 PolarHBondContact O-N 2.87Å; Y54-D65 VanDerWaalsContact CE1-OD1 3.29Å; Y54-D65 WeakPolarHBondContact CE1-OD1 3.4Å; Y54-D65 PolarHBondContact OH-OD1 2.87Å; Y54-V67 HydrophobicContact CE2-CG1 3.57Å; Y54-I68 HydrophobicContact CE2-CG2 3.5Å; Y54-V74 HydrophobicContact CD2-CG1 4.36Å; Y54-V74 HydrophobicContact CE2-CG1 4.47Å; Y54-Y83 HydrophobicContact CD2-CD2 4.19Å; Y54-Y83 AromaticContact CD2-CE2 3.65Å; Y54-Y83 HydrophobicContact CD2-CE2 3.65Å; Y54-Y83 HydrophobicContact CE2-CD2 4.29Å; Y54-Y83 AromaticContact CE2-CE2 3.92Å; Y54-Y83 HydrophobicContact CE2-CE2 3.92Å; Y54-Y83 HydrophobicContact CG-CE2 4.17Å
55S91Very high92.1Very high86 Ų8638.1 Ų38.160%0.60122%0.222SC*.Hα-helixtrans-61.8-40.2-176.5-60.70000112.3D53 A58 E59D53-S55 VanDerWaalsContact C-N 3.3Å; D53-S55 PolarHBondContact O-N 2.87Å; D53-S55 PolarHBondContact OD1-N 3.07Å; S55-A58 PolarHBondContact O-N 2.79Å; S55-E59 PolarHBondContact O-N 2.86Å
56K88.8Confident91.8Very high80 Ų8040.7 Ų40.735%0.34824%0.235SC..Hα-helixtrans-65.3-45.9174.2-74.6177.4-175117.30112.2D53 Y54 A58 E59 Q60D53-K56 PolarHBondContact O-N 3.38Å; D53-K56 WeakPolarHBondContact OD1-CB 3.46Å; D53-K56 WeakPolarHBondContact OD1-CG 3.41Å; D53-K56 PolarHBondContact OD1-N 3.31Å; D53-K56 IonicContact OD2-NZ 2.79Å; D53-K56 PolarHBondContact OD2-NZ 3.31Å; Y54-K56 VanDerWaalsContact C-N 3.33Å; Y54-K56 PolarHBondContact O-N 3.29Å; K56-A58 VanDerWaalsContact C-N 3.27Å; K56-A58 PolarHBondContact O-N 3.48Å; K56-E59 PolarHBondContact O-N 2.98Å; K56-Q60 WeakPolarHBondContact O-CG 3.4Å; K56-Q60 PolarHBondContact O-N 3.26Å; K56-Q60 VanDerWaalsContact O-N 3.16Å
57I92.4Very high91.6Very high1 Ų140.7 Ų40.71%0.00524%0.235CC..Hα-helixtrans-60.5-42.2177.6-67.3175.2000110.3V18 I48 D53 Y54 Q60 L61 V67 A76V18-I57 HydrophobicContact CG2-CG2 4.48Å; I48-I57 HydrophobicContact CD1-CG2 3.4Å; I48-I57 VanDerWaalsContact CD1-CG2 3.4Å; D53-I57 PolarHBondContact O-N 3.29Å; Y54-I57 PolarHBondContact O-N 2.7Å; I57-Q60 PolarHBondContact O-N 2.84Å; I57-L61 HydrophobicContact CG2-CD1 3.92Å; I57-L61 PolarHBondContact O-N 3.39Å; I57-L61 VanDerWaalsContact O-N 3.09Å; I57-V67 HydrophobicContact CG2-CG2 4.34Å; I57-A76 HydrophobicContact CD1-CB 3.85Å
58A93.6Very high91.4Very high6 Ų641.5 Ų41.55%0.0524%0.239CC..Hα-helixtrans-62.9-43.2177.700000112.2Y54 S55 K56 Q60 L61 G62 G64 V67Y54-A58 HydrophobicContact CE1-CB 4.25Å; Y54-A58 VanDerWaalsContact O-CB 3.29Å; Y54-A58 WeakPolarHBondContact O-CB 3.37Å; Y54-A58 PolarHBondContact O-N 2.87Å; S55-A58 PolarHBondContact O-N 2.79Å; K56-A58 VanDerWaalsContact C-N 3.27Å; K56-A58 PolarHBondContact O-N 3.48Å; A58-Q60 VanDerWaalsContact C-N 3.26Å; A58-Q60 PolarHBondContact O-N 3.06Å; A58-L61 PolarHBondContact O-N 3.31Å; A58-G62 CarbonylContact O-C 3.27Å; A58-G62 PolarHBondContact O-N 2.9Å; A58-G64 WeakPolarHBondContact CB-O 3.47Å; A58-V67 HydrophobicContact CB-CG1 3.81Å
59E93.1Very high91.3Very high130 Ų13047.1 Ų47.161%0.60727%0.265SS*.Hα-helixtrans-59.3-36.2175.5-177.5179.6-176.600112.6K28 S55 K56K28-E59 WeakPolarHBondContact CE-O 3.35Å; S55-E59 PolarHBondContact O-N 2.86Å; K56-E59 PolarHBondContact O-N 2.98Å
60Q93Very high91.2Very high13 Ų1348.8 Ų48.86%0.06127%0.272CS..Hα-helixtrans-77.6-34.3-179.4-67.4-174.8-92.900113.3D19 T23 E27 K28 I29 K56 I57 A58D19-Q60 PolarHBondContact OD1-NE2 3.48Å; T23-Q60 HydrophobicContact CG2-CB 4.4Å; T23-Q60 PolarHBondContact OG1-NE2 2.96Å; E27-Q60 WeakPolarHBondContact O-CG 3.44Å; E27-Q60 PolarHBondContact O-NE2 3.08Å; E27-Q60 VanDerWaalsContact O-NE2 3.08Å; K28-Q60 CarbonylContact C-O 3.53Å; K28-Q60 WeakPolarHBondContact CA-O 3.47Å; I29-Q60 PolarHBondContact N-O 3.28Å; K56-Q60 WeakPolarHBondContact O-CG 3.4Å; K56-Q60 PolarHBondContact O-N 3.26Å; K56-Q60 VanDerWaalsContact O-N 3.16Å; I57-Q60 PolarHBondContact O-N 2.84Å; A58-Q60 VanDerWaalsContact C-N 3.26Å; A58-Q60 PolarHBondContact O-N 3.06Å
61L94.6Very high91.4Very high0 Ų048.6 Ų48.60%027%0.271CS..Hα-helixtrans-111.10.3-168-61.9177.1000114.4V18 L22 T23 I29 I48 I57 A58 V67 K70 F71V18-L61 HydrophobicContact CG1-CD1 4.25Å; V18-L61 HydrophobicContact CG1-CG 4.42Å; V18-L61 HydrophobicContact CG2-CD1 4.35Å; L22-L61 HydrophobicContact CB-CD2 4.37Å; L22-L61 HydrophobicContact CD1-CD2 4.41Å; T23-L61 HydrophobicContact CG2-CD2 3.73Å; I29-L61 HydrophobicContact CB-CD2 4.09Å; I29-L61 HydrophobicContact CD1-CD2 4.02Å; I48-L61 HydrophobicContact CD1-CD1 3.26Å; I48-L61 HydrophobicContact CG1-CD1 4.5Å; I48-L61 HydrophobicContact CG2-CD1 4.12Å; I57-L61 HydrophobicContact CG2-CD1 3.92Å; I57-L61 PolarHBondContact O-N 3.39Å; I57-L61 VanDerWaalsContact O-N 3.09Å; A58-L61 PolarHBondContact O-N 3.31Å; L61-V67 HydrophobicContact CB-CB 4.45Å; L61-V67 HydrophobicContact CB-CG2 3.8Å; L61-V67 HydrophobicContact CD1-CG2 4.07Å; L61-K70 PolarHBondContact O-NZ 2.91Å; L61-F71 HydrophobicContact CB-CE2 4.33Å; L61-F71 HydrophobicContact CD1-CE2 4.09Å; L61-F71 HydrophobicContact CD1-CZ 4.34Å
62G89.1Confident91.9Very high12 Ų1247.3 Ų47.312%0.12426%0.257CS..SBendtrans-177.4-164175.400000113.6A58A58-G62 CarbonylContact O-C 3.27Å; A58-G62 PolarHBondContact O-N 2.9Å
63E86.1Confident92.4Very high141 Ų14145.9 Ų45.966%0.65925%0.246SC*.SBendtrans-110.3131170-60.7-167.7167.700110D65 E66E63-D65 PolarHBondContact O-N 3.19Å; E63-E66 PolarHBondContact N-OE2 3Å; E63-E66 WeakPolarHBondContact O-CB 3.26Å; E63-E66 VanDerWaalsContact O-CG 3.22Å; E63-E66 WeakPolarHBondContact O-CG 3.48Å; E63-E66 PolarHBondContact O-N 3.18Å
64G86.3Confident92.9Very high60 Ų6044 Ų4462%0.61924%0.237SC*.THydrogen-bonded Turntrans57.4-124.8-17800000112.4A58A58-G64 WeakPolarHBondContact CB-O 3.47Å
65D87.1Confident93.1Very high106 Ų10642.8 Ų42.857%0.56723%0.232SC*.THydrogen-bonded Turntrans-95.820.5-178.8-69-45.1000113.6Y54 E63 V67 I68Y54-D65 VanDerWaalsContact CE1-OD1 3.29Å; Y54-D65 WeakPolarHBondContact CE1-OD1 3.4Å; Y54-D65 PolarHBondContact OH-OD1 2.87Å; E63-D65 PolarHBondContact O-N 3.19Å; D65-V67 PolarHBondContact O-N 3.23Å; D65-I68 HydrophobicContact CB-CD1 4.44Å; D65-I68 VanDerWaalsContact O-CG1 3.25Å; D65-I68 WeakPolarHBondContact O-CG1 3.41Å
66E92.1Very high93.3Very high88 Ų8838.7 Ų38.741%0.41120%0.203SC..THydrogen-bonded Turntrans-62.6-29.6178.9-78.9-179.3171.800113.4E63 I68 Q69 K70E63-E66 PolarHBondContact N-OE2 3Å; E63-E66 WeakPolarHBondContact O-CB 3.26Å; E63-E66 VanDerWaalsContact O-CG 3.22Å; E63-E66 WeakPolarHBondContact O-CG 3.48Å; E63-E66 PolarHBondContact O-N 3.18Å; E66-I68 VanDerWaalsContact C-N 3.28Å; E66-I68 PolarHBondContact O-N 3.2Å; E66-Q69 WeakPolarHBondContact O-CA 3.4Å; E66-Q69 WeakPolarHBondContact O-CB 3.25Å; E66-Q69 PolarHBondContact O-N 2.57Å; E66-K70 WeakPolarHBondContact O-CG 3.37Å; E66-K70 PolarHBondContact O-N 2.93Å; E66-K70 IonicContact OE2-NZ 2.93Å
67V93.9Very high93.4Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-57.2-40.2-174.567.90000112.4I48 Y54 I57 A58 L61 D65 Q69 K70 F71 V74I48-V67 HydrophobicContact CD1-CG2 3.68Å; Y54-V67 HydrophobicContact CE2-CG1 3.57Å; I57-V67 HydrophobicContact CG2-CG2 4.34Å; A58-V67 HydrophobicContact CB-CG1 3.81Å; L61-V67 HydrophobicContact CB-CB 4.45Å; L61-V67 HydrophobicContact CB-CG2 3.8Å; L61-V67 HydrophobicContact CD1-CG2 4.07Å; D65-V67 PolarHBondContact O-N 3.23Å; V67-Q69 PolarHBondContact O-N 2.86Å; V67-K70 PolarHBondContact O-N 3.43Å; V67-F71 HydrophobicContact CG2-CD2 3.97Å; V67-F71 HydrophobicContact CG2-CE2 4.24Å; V67-F71 WeakPolarHBondContact O-CD2 3.22Å; V67-F71 PolarHBondContact O-N 3.01Å; V67-F71 VanDerWaalsContact O-N 3.16Å; V67-V74 HydrophobicContact CG2-CG2 4.18Å
68I95.3Very high93.3Very high17 Ų1736.2 Ų36.29%0.08719%0.193CC..Hα-helixtrans-72.9-14.5179.763.9177.1000113Y54 D65 E66 V74 Y83 G86Y54-I68 HydrophobicContact CE2-CG2 3.5Å; D65-I68 HydrophobicContact CB-CD1 4.44Å; D65-I68 VanDerWaalsContact O-CG1 3.25Å; D65-I68 WeakPolarHBondContact O-CG1 3.41Å; E66-I68 VanDerWaalsContact C-N 3.28Å; E66-I68 PolarHBondContact O-N 3.2Å; I68-V74 HydrophobicContact CG2-CB 4.4Å; I68-V74 HydrophobicContact CG2-CG2 4.21Å; I68-Y83 HydrophobicContact CB-CD1 4.38Å; I68-Y83 HydrophobicContact CD1-CD1 4.19Å; I68-Y83 HydrophobicContact CD1-CE1 4.39Å; I68-Y83 HydrophobicContact CG2-CD1 3.7Å; I68-Y83 HydrophobicContact CG2-CD2 4.12Å; I68-Y83 HydrophobicContact CG2-CE1 4.24Å; I68-Y83 HydrophobicContact CG2-CG 3.63Å; I68-G86 WeakPolarHBondContact CD1-O 3.46Å; I68-G86 VanDerWaalsContact O-CA 3.26Å; I68-G86 WeakPolarHBondContact O-CA 3.44Å; I68-G86 PolarHBondContact O-N 3.47Å; I68-G86 VanDerWaalsContact O-N 3.16Å
69Q95.7Very high93.3Very high117 Ų11735.9 Ų35.955%0.54719%0.191SC..Hα-helixtrans-93.8-28.1173.6-59.1-57.7-32.900111.7R41 E66 V67R41-Q69 PolarHBondContact NH1-O 3.12Å; R41-Q69 PolarHBondContact NH2-O 3.11Å; E66-Q69 WeakPolarHBondContact O-CA 3.4Å; E66-Q69 WeakPolarHBondContact O-CB 3.25Å; E66-Q69 PolarHBondContact O-N 2.57Å; V67-Q69 PolarHBondContact O-N 2.86Å
70K96.3Very high93.2Very high35 Ų3529.8 Ų29.815%0.15216%0.162CC..Hα-helixtrans-76.5-30.8178.6-75.5-174.2-178.1-170.40113.5D34 Q38 R41 L61 E66 V67D34-K70 IonicContact OD1-NZ 2.66Å; D34-K70 IonicContact OD2-NZ 2.7Å; D34-K70 PolarHBondContact OD2-NZ 2.9Å; Q38-K70 PolarHBondContact NE2-O 2.89Å; Q38-K70 PolarHBondContact OE1-O 2.88Å; R41-K70 WeakPolarHBondContact CD-O 3.43Å; R41-K70 PolarHBondContact NH1-O 3.08Å; R41-K70 VanDerWaalsContact NH1-O 3.08Å; L61-K70 PolarHBondContact O-NZ 2.91Å; E66-K70 WeakPolarHBondContact O-CG 3.37Å; E66-K70 PolarHBondContact O-N 2.93Å; E66-K70 IonicContact OE2-NZ 2.93Å; V67-K70 PolarHBondContact O-N 3.43Å
71F97.8Very high93.3Very high1 Ų129.5 Ų29.50%0.00416%0.162CC..SBendtrans-114.4147.3-179.7-64-91.2000111.1L22 I46 I48 L61 V67 Y73 V74L22-F71 HydrophobicContact CD1-CE1 4.27Å; L22-F71 HydrophobicContact CD1-CZ 4.21Å; I46-F71 HydrophobicContact CB-CD1 4.25Å; I46-F71 HydrophobicContact CD1-CD1 3.56Å; I46-F71 HydrophobicContact CD1-CE1 3.71Å; I46-F71 HydrophobicContact CD1-CG 4.38Å; I46-F71 HydrophobicContact CG1-CD1 3.71Å; I46-F71 HydrophobicContact CG1-CE1 4.31Å; I46-F71 HydrophobicContact CG1-CG 4.49Å; I48-F71 HydrophobicContact CD1-CD2 4.32Å; I48-F71 HydrophobicContact CG2-CD1 3.64Å; I48-F71 HydrophobicContact CG2-CD2 4.41Å; I48-F71 HydrophobicContact CG2-CE1 3.46Å; I48-F71 VanDerWaalsContact CG2-CE1 3.46Å; I48-F71 HydrophobicContact CG2-CE2 4.29Å; I48-F71 HydrophobicContact CG2-CG 4.13Å; I48-F71 HydrophobicContact CG2-CZ 3.82Å; L61-F71 HydrophobicContact CB-CE2 4.33Å; L61-F71 HydrophobicContact CD1-CE2 4.09Å; L61-F71 HydrophobicContact CD1-CZ 4.34Å; V67-F71 HydrophobicContact CG2-CD2 3.97Å; V67-F71 HydrophobicContact CG2-CE2 4.24Å; V67-F71 WeakPolarHBondContact O-CD2 3.22Å; V67-F71 PolarHBondContact O-N 3.01Å; V67-F71 VanDerWaalsContact O-N 3.16Å; F71-Y73 VanDerWaalsContact C-N 3.33Å; F71-V74 HydrophobicContact CB-CG2 3.96Å
72D97.6Very high93.3Very high2 Ų229.7 Ų29.71%0.01116%0.163CC..SBendtrans-72.5-31.1175.6-55.4-69.7000110.8R10 R41 K45 I46 K84 D85R10-D72 IonicContact CZ-OD1 2.9Å; R10-D72 IonicContact CZ-OD2 3.68Å; R10-D72 IonicContact NH1-OD1 3.81Å; R10-D72 PolarHBondContact NH1-OD1 2.95Å; R10-D72 IonicContact NH1-OD2 3.15Å; R10-D72 PolarHBondContact NH1-OD2 3.08Å; R10-D72 IonicContact NH2-OD1 3.48Å; R10-D72 PolarHBondContact NH2-OD1 3.38Å; R10-D72 IonicContact NH2-OD2 3.77Å; R41-D72 IonicContact CZ-OD1 3.03Å; R41-D72 IonicContact NE-OD1 2.82Å; R41-D72 PolarHBondContact NE-OD1 2.89Å; R41-D72 IonicContact NE-OD2 3.26Å; R41-D72 PolarHBondContact NE-OD2 3.43Å; R41-D72 IonicContact NH2-OD1 2.75Å; R41-D72 PolarHBondContact NH2-OD1 3.37Å; R41-D72 VanDerWaalsContact NH2-OD1 3.12Å; K45-D72 WeakPolarHBondContact CA-OD2 3.32Å; K45-D72 HydrophobicContact CB-CB 4.32Å; I46-D72 PolarHBondContact N-OD2 3.37Å; I46-D72 WeakPolarHBondContact O-CB 3.27Å; I46-D72 PolarHBondContact O-N 3.17Å; D72-K84 WeakPolarHBondContact O-CA 3.26Å; D72-D85 PolarHBondContact O-N 3.43Å
73Y97.9Very high93.6Very high1 Ų131.1 Ų31.10%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-132.4138.6172.3-55.2-94.8000111.8L13 K45 I46 G47 I48 F71 F75 Y83 K84 L203 E206L13-Y73 HydrophobicContact CD1-CD2 3.97Å; L13-Y73 HydrophobicContact CD1-CE2 4.29Å; L13-Y73 HydrophobicContact CD2-CD2 4.36Å; L13-Y73 HydrophobicContact CD2-CE2 4.5Å; K45-Y73 HydrophobicContact CD-CE2 3.83Å; K45-Y73 PolarHBondContact NZ-OH 3.49Å; I46-Y73 PolarHBondContact O-N 3.35Å; G47-Y73 CarbonylContact C-O 3.53Å; G47-Y73 WeakPolarHBondContact CA-O 3.43Å; I48-Y73 PolarHBondContact N-O 2.92Å; F71-Y73 VanDerWaalsContact C-N 3.33Å; Y73-F75 HydrophobicContact CD1-CE2 4.4Å; Y73-F75 AromaticContact CD1-CZ 3.88Å; Y73-F75 HydrophobicContact CD1-CZ 3.88Å; Y73-F75 HydrophobicContact CG-CE2 4.16Å; Y73-F75 HydrophobicContact CG-CZ 4.1Å; Y73-Y83 WeakPolarHBondContact CA-O 3.44Å; Y73-K84 HydrophobicContact CD1-CB 4.16Å; Y73-K84 HydrophobicContact CD1-CD 4.49Å; Y73-K84 HydrophobicContact CD1-CG 4Å; Y73-K84 HydrophobicContact CE1-CB 4.29Å; Y73-K84 HydrophobicContact CE1-CD 3.79Å; Y73-K84 HydrophobicContact CE1-CG 3.69Å; Y73-L203 HydrophobicContact CD1-CD2 4.02Å; Y73-L203 HydrophobicContact CD2-CD2 4.37Å; Y73-L203 HydrophobicContact CE1-CD2 3.88Å; Y73-L203 HydrophobicContact CE2-CD2 4.26Å; Y73-L203 HydrophobicContact CG-CD2 4.27Å; Y73-E206 HydrophobicContact CE1-CG 4.31Å; Y73-E206 VanDerWaalsContact OH-CD 3.32Å; Y73-E206 PolarHBondContact OH-OE2 3.4Å
74V97.8Very high94.1Very high1 Ų126.9 Ų26.91%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-128.6113.7171.6176.30000109I48 Y54 V67 I68 F71 Y83I48-V74 HydrophobicContact CD1-CB 4.38Å; I48-V74 HydrophobicContact CD1-CG1 3.86Å; I48-V74 HydrophobicContact CD1-CG2 4.06Å; I48-V74 HydrophobicContact CG1-CB 4.15Å; I48-V74 HydrophobicContact CG1-CG1 3.96Å; I48-V74 HydrophobicContact CG1-CG2 4.02Å; Y54-V74 HydrophobicContact CD2-CG1 4.36Å; Y54-V74 HydrophobicContact CE2-CG1 4.47Å; V67-V74 HydrophobicContact CG2-CG2 4.18Å; I68-V74 HydrophobicContact CG2-CB 4.4Å; I68-V74 HydrophobicContact CG2-CG2 4.21Å; F71-V74 HydrophobicContact CB-CG2 3.96Å; V74-Y83 PolarHBondContact N-O 2.89Å; V74-Y83 PolarHBondContact O-N 3.3Å
75F96.8Very high94.4Very high1 Ų128.2 Ų28.20%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-11098.6179.5-58.9-67.6000109.8L15 I48 V49 G50 Y73 Q82 C199 V202 L203L15-F75 HydrophobicContact CD1-CD2 3.94Å; L15-F75 HydrophobicContact CD1-CE2 4.1Å; I48-F75 WeakPolarHBondContact O-CB 3.39Å; I48-F75 WeakPolarHBondContact O-CD2 3.39Å; I48-F75 PolarHBondContact O-N 3.36Å; V49-F75 WeakPolarHBondContact CA-O 3.46Å; V49-F75 HydrophobicContact CB-CB 3.97Å; V49-F75 HydrophobicContact CB-CD2 4.41Å; V49-F75 HydrophobicContact CG2-CB 3.9Å; G50-F75 PolarHBondContact N-O 3.36Å; Y73-F75 HydrophobicContact CD1-CE2 4.4Å; Y73-F75 AromaticContact CD1-CZ 3.88Å; Y73-F75 HydrophobicContact CD1-CZ 3.88Å; Y73-F75 HydrophobicContact CG-CE2 4.16Å; Y73-F75 HydrophobicContact CG-CZ 4.1Å; F75-Q82 HydrophobicContact CD1-CB 4.06Å; F75-Q82 HydrophobicContact CD1-CG 3.9Å; F75-Q82 HydrophobicContact CE1-CB 4.2Å; F75-Q82 HydrophobicContact CE1-CG 4.2Å; F75-C199 HydrophobicContact CB-CB 4.02Å; F75-C199 HydrophobicContact CD1-CB 3.66Å; F75-C199 HydrophobicContact CD2-CB 3.67Å; F75-C199 HydrophobicContact CE1-CB 3.93Å; F75-C199 HydrophobicContact CE2-CB 3.93Å; F75-C199 HydrophobicContact CG-CB 3.51Å; F75-C199 HydrophobicContact CZ-CB 4.06Å; F75-V202 HydrophobicContact CE1-CB 4.47Å; F75-L203 HydrophobicContact CE2-CD1 4.29Å; F75-L203 HydrophobicContact CE2-CD2 4.32Å; F75-L203 HydrophobicContact CE2-CG 4.47Å; F75-L203 HydrophobicContact CZ-CD1 4.47Å; F75-L203 HydrophobicContact CZ-CD2 4.01Å; F75-L203 HydrophobicContact CZ-CG 4.19Å
76A93.5Very high94.8Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-90.5156.6173.200000110.6G50 I57 N78 G79 T80 V81G50-A76 CarbonylContact O-C 3.59Å; I57-A76 HydrophobicContact CD1-CB 3.85Å; A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.93Å; A76-G79 WeakPolarHBondContact O-CA 3.4Å; A76-G79 PolarHBondContact O-N 2.84Å; A76-T80 PolarHBondContact O-N 2.99Å; A76-V81 HydrophobicContact CB-CB 4.19Å; A76-V81 PolarHBondContact N-O 2.79Å; A76-V81 PolarHBondContact O-N 2.7Å; A76-V81 VanDerWaalsContact O-N 3.16Å
77E91.1Very high94.9Very high10 Ų1027.3 Ų27.35%0.04713%0.131CC..G310 helixtrans48.253.5-176.9-62176.8-117.500111.9G50 S52 G79 T80 R130 N131 G132G50-E77 PolarHBondContact O-N 3.16Å; S52-E77 PolarHBondContact O-N 2.9Å; E77-G79 PolarHBondContact O-N 3.28Å; E77-G79 VanDerWaalsContact O-N 3.12Å; E77-T80 WeakPolarHBondContact CB-OG1 3.21Å; E77-T80 PolarHBondContact O-N 2.87Å; E77-T80 PolarHBondContact O-OG1 2.89Å; E77-R130 WeakPolarHBondContact OE2-CB 3.24Å; E77-N131 PolarHBondContact OE1-ND2 3.12Å; E77-N131 WeakPolarHBondContact OE2-CA 3.38Å; E77-N131 WeakPolarHBondContact OE2-CB 3.42Å; E77-N131 PolarHBondContact OE2-N 2.94Å; E77-G132 PolarHBondContact OE2-N 3.42Å
78N91.4Very high95Very high19 Ų1931.9 Ų31.910%0.10216%0.155CC..G310 helixtrans60.314.1-176.5-62.3-18.7000115.3G50 G51 A76 W194G50-N78 PolarHBondContact O-N 3.39Å; G51-N78 WeakPolarHBondContact CA-OD1 3.38Å; G51-N78 PolarHBondContact N-OD1 3.2Å; A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.93Å; N78-W194 WeakPolarHBondContact CB-O 3.29Å; N78-W194 PolarHBondContact ND2-O 3.25Å
79G92.8Very high94.8Very high0 Ų035.6 Ų35.60%017%0.174CC..G310 helixtrans96.613.2-175.400000113.9A76 E77 Q82A76-G79 WeakPolarHBondContact O-CA 3.4Å; A76-G79 PolarHBondContact O-N 2.84Å; E77-G79 PolarHBondContact O-N 3.28Å; E77-G79 VanDerWaalsContact O-N 3.12Å; G79-Q82 VanDerWaalsContact O-CD 3.3Å; G79-Q82 WeakPolarHBondContact O-CG 3.41Å; G79-Q82 PolarHBondContact O-NE2 2.88Å
80T92.3Very high94.4Very high1 Ų131.6 Ų31.61%0.00616%0.16CC..THydrogen-bonded Turntrans-73-22.8165.756.70000111.7A76 E77 K91 Q92 W194 L198A76-T80 PolarHBondContact O-N 2.99Å; E77-T80 WeakPolarHBondContact CB-OG1 3.21Å; E77-T80 PolarHBondContact O-N 2.87Å; E77-T80 PolarHBondContact O-OG1 2.89Å; T80-K91 CarbonylContact O-C 3.46Å; T80-K91 VanDerWaalsContact O-CA 3.27Å; T80-K91 WeakPolarHBondContact O-CA 3.32Å; T80-Q92 PolarHBondContact O-N 3.1Å; T80-W194 HydrophobicContact CG2-CD2 4.01Å; T80-W194 HydrophobicContact CG2-CE3 3.49Å; T80-W194 VanDerWaalsContact CG2-CE3 3.49Å; T80-W194 HydrophobicContact CG2-CH2 4.4Å; T80-W194 HydrophobicContact CG2-CZ3 3.76Å; T80-L198 HydrophobicContact CG2-CD2 3.3Å
81V93.8Very high94.1Very high8 Ų835.9 Ų35.95%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-115.6122.7167.3-175.50000108.6A76 Y83 L88 K91 N131A76-V81 HydrophobicContact CB-CB 4.19Å; A76-V81 PolarHBondContact N-O 2.79Å; A76-V81 PolarHBondContact O-N 2.7Å; A76-V81 VanDerWaalsContact O-N 3.16Å; V81-Y83 HydrophobicContact CG1-CD2 4.41Å; V81-Y83 HydrophobicContact CG1-CE2 3.72Å; V81-L88 HydrophobicContact CG1-CD1 4.07Å; V81-K91 HydrophobicContact CG2-CG 4.24Å; V81-N131 HydrophobicContact CG2-CB 4.3Å
82Q94.9Very high93.6Very high4 Ų438.8 Ų38.82%0.01919%0.192CC..EExtended strand (participates in β ladder)trans-129.5127.6-167.9-49.6179.3-15.700111F75 G79 L89 S90F75-Q82 HydrophobicContact CD1-CB 4.06Å; F75-Q82 HydrophobicContact CD1-CG 3.9Å; F75-Q82 HydrophobicContact CE1-CB 4.2Å; F75-Q82 HydrophobicContact CE1-CG 4.2Å; G79-Q82 VanDerWaalsContact O-CD 3.3Å; G79-Q82 WeakPolarHBondContact O-CG 3.41Å; G79-Q82 PolarHBondContact O-NE2 2.88Å; Q82-L89 HydrophobicContact CB-CB 4.29Å; Q82-L89 PolarHBondContact O-N 3.18Å; Q82-S90 WeakPolarHBondContact CG-OG 3.26Å; Q82-S90 PolarHBondContact N-O 2.91Å; Q82-S90 PolarHBondContact OE1-OG 3.23Å
83Y96.1Very high93.3Very high42 Ų4239.5 Ų39.517%0.16520%0.198CC..EExtended strand (participates in β ladder)trans-116.7142.8168.5-61.2-104.8000110.2Y54 I68 Y73 V74 V81 K87 L88Y54-Y83 HydrophobicContact CD2-CD2 4.19Å; Y54-Y83 AromaticContact CD2-CE2 3.65Å; Y54-Y83 HydrophobicContact CD2-CE2 3.65Å; Y54-Y83 HydrophobicContact CE2-CD2 4.29Å; Y54-Y83 AromaticContact CE2-CE2 3.92Å; Y54-Y83 HydrophobicContact CE2-CE2 3.92Å; Y54-Y83 HydrophobicContact CG-CE2 4.17Å; I68-Y83 HydrophobicContact CB-CD1 4.38Å; I68-Y83 HydrophobicContact CD1-CD1 4.19Å; I68-Y83 HydrophobicContact CD1-CE1 4.39Å; I68-Y83 HydrophobicContact CG2-CD1 3.7Å; I68-Y83 HydrophobicContact CG2-CD2 4.12Å; I68-Y83 HydrophobicContact CG2-CE1 4.24Å; I68-Y83 HydrophobicContact CG2-CG 3.63Å; Y73-Y83 WeakPolarHBondContact CA-O 3.44Å; V74-Y83 PolarHBondContact N-O 2.89Å; V74-Y83 PolarHBondContact O-N 3.3Å; V81-Y83 HydrophobicContact CG1-CD2 4.41Å; V81-Y83 HydrophobicContact CG1-CE2 3.72Å; Y83-K87 CarbonylContact C-O 3.59Å; Y83-K87 WeakPolarHBondContact CA-O 3.29Å; Y83-L88 HydrophobicContact CD1-CB 4.09Å; Y83-L88 HydrophobicContact CD1-CD1 4.38Å; Y83-L88 HydrophobicContact CD2-CD1 4.35Å; Y83-L88 HydrophobicContact CE1-CB 3.87Å; Y83-L88 HydrophobicContact CE1-CD1 3.98Å; Y83-L88 HydrophobicContact CE2-CD1 3.93Å
84K95.5Very high93.1Very high52 Ų5239.4 Ų39.423%0.22620%0.198CC..EExtended strand (participates in β ladder)trans-135.8129.6174.6178.2-174.3178-176.80108.8D72 Y73 G86 K87 E206D72-K84 WeakPolarHBondContact O-CA 3.26Å; Y73-K84 HydrophobicContact CD1-CB 4.16Å; Y73-K84 HydrophobicContact CD1-CD 4.49Å; Y73-K84 HydrophobicContact CD1-CG 4Å; Y73-K84 HydrophobicContact CE1-CB 4.29Å; Y73-K84 HydrophobicContact CE1-CD 3.79Å; Y73-K84 HydrophobicContact CE1-CG 3.69Å; K84-G86 PolarHBondContact O-N 2.9Å; K84-K87 PolarHBondContact N-O 3.34Å; K84-K87 PolarHBondContact O-N 3Å; K84-E206 WeakPolarHBondContact CE-OE2 3.4Å; K84-E206 IonicContact NZ-OE1 3.71Å; K84-E206 PolarHBondContact NZ-OE1 2.99Å; K84-E206 IonicContact NZ-OE2 3.86Å; K84-E206 PolarHBondContact NZ-OE2 3.47Å
85D94Very high92.9Very high87 Ų8742 Ų4247%0.46521%0.209SC..THydrogen-bonded Turntrans48.945.7178-57.9-48.7000112.4D72 K87D72-D85 PolarHBondContact O-N 3.43Å; D85-K87 VanDerWaalsContact C-N 3.27Å; D85-K87 PolarHBondContact O-N 3.05Å
86G94.2Very high92.7Very high16 Ų1648.3 Ų48.317%0.16524%0.243CC..THydrogen-bonded Turntrans74.84.5-179.200000116.1I68 K84I68-G86 WeakPolarHBondContact CD1-O 3.46Å; I68-G86 VanDerWaalsContact O-CA 3.26Å; I68-G86 WeakPolarHBondContact O-CA 3.44Å; I68-G86 PolarHBondContact O-N 3.47Å; I68-G86 VanDerWaalsContact O-N 3.16Å; K84-G86 PolarHBondContact O-N 2.9Å
87K95Very high92.6Very high159 Ų15953.4 Ų53.469%0.69127%0.267SS*.EExtended strand (participates in β ladder)trans-118137.9-177.2-63.5179.6-177176.10111.6Y83 K84 D85 L89Y83-K87 CarbonylContact C-O 3.59Å; Y83-K87 WeakPolarHBondContact CA-O 3.29Å; K84-K87 PolarHBondContact N-O 3.34Å; K84-K87 PolarHBondContact O-N 3Å; D85-K87 VanDerWaalsContact C-N 3.27Å; D85-K87 PolarHBondContact O-N 3.05Å; K87-L89 PolarHBondContact O-N 3.11Å
88L94.6Very high92.8Very high97 Ų9754.3 Ų54.351%0.50827%0.272SS..EExtended strand (participates in β ladder)trans-64.3119.4170.4-177.571000108.9V81 Y83V81-L88 HydrophobicContact CG1-CD1 4.07Å; Y83-L88 HydrophobicContact CD1-CB 4.09Å; Y83-L88 HydrophobicContact CD1-CD1 4.38Å; Y83-L88 HydrophobicContact CD2-CD1 4.35Å; Y83-L88 HydrophobicContact CE1-CB 3.87Å; Y83-L88 HydrophobicContact CE1-CD1 3.98Å; Y83-L88 HydrophobicContact CE2-CD1 3.93Å
89L91.6Very high93.1Very high94 Ų9454.8 Ų54.849%0.49228%0.282SS..EExtended strand (participates in β ladder)trans-91.4-52.8179.9-179.267.1000110.8Q82 K87 V202Q82-L89 HydrophobicContact CB-CB 4.29Å; Q82-L89 PolarHBondContact O-N 3.18Å; K87-L89 PolarHBondContact O-N 3.11Å; L89-V202 HydrophobicContact CD2-CG1 3.47Å; L89-V202 VanDerWaalsContact CD2-CG1 3.47Å
90S88.1Confident93.3Very high34 Ų3459.8 Ų59.824%0.23831%0.305CS..EExtended strand (participates in β ladder)trans-151.3155.6-179.181.20000111.6Q82Q82-S90 WeakPolarHBondContact CG-OG 3.26Å; Q82-S90 PolarHBondContact N-O 2.91Å; Q82-S90 PolarHBondContact OE1-OG 3.23Å
91K89.4Confident93.6Very high125 Ų12567.4 Ų67.454%0.54334%0.341SS..EExtended strand (participates in β ladder)trans-138.9108.3172-177.4168-176.4-177.20107.9T80 V81 N131T80-K91 CarbonylContact O-C 3.46Å; T80-K91 VanDerWaalsContact O-CA 3.27Å; T80-K91 WeakPolarHBondContact O-CA 3.32Å; V81-K91 HydrophobicContact CG2-CG 4.24Å; K91-N131 WeakPolarHBondContact CE-ND2 3.47Å; K91-N131 WeakPolarHBondContact CE-OD1 3.4Å; K91-N131 PolarHBondContact NZ-OD1 2.75Å
92Q88.3Confident93.8Very high62 Ų6268.5 Ų68.529%0.2935%0.346SS..  trans-94.1138.7178.4-59.5-171.534.600109.4T80 W194T80-Q92 PolarHBondContact O-N 3.1Å; Q92-W194 HydrophobicContact CB-CH2 3.99Å; Q92-W194 HydrophobicContact CB-CZ2 4.21Å
93A90.3Very high93.9Very high16 Ų1668.5 Ų68.513%0.13235%0.346CS..  trans-119.3130.8-178.400000108.7Q95 N96 Q97 N131A93-Q95 VanDerWaalsContact CB-OE1 3.3Å; A93-Q95 PolarHBondContact O-N 2.88Å; A93-Q95 VanDerWaalsContact O-N 3.15Å; A93-N96 WeakPolarHBondContact O-CB 3.38Å; A93-N96 PolarHBondContact O-N 3.49Å; A93-Q97 PolarHBondContact O-N 2.76Å; A93-N131 CarbonylContact C-O 3.55Å; A93-N131 WeakPolarHBondContact CA-O 3.31Å
94I93.6Very high94Very high0 Ų071.4 Ų71.40%036%0.361CS..Hα-helixtrans-52.9-39.1-174-172.9168.1000112.6N96 Q97 I98 F129 N131 P191 W194I94-N96 PolarHBondContact O-N 3.46Å; I94-Q97 WeakPolarHBondContact O-CB 3.26Å; I94-Q97 PolarHBondContact O-N 3Å; I94-I98 HydrophobicContact CD1-CD1 4.25Å; I94-I98 HydrophobicContact CG1-CD1 3.94Å; I94-I98 HydrophobicContact CG1-CG1 4.17Å; I94-I98 WeakPolarHBondContact O-CG1 3.47Å; I94-I98 PolarHBondContact O-N 2.98Å; I94-F129 HydrophobicContact CG2-CE1 3.7Å; I94-F129 HydrophobicContact CG2-CE2 4.23Å; I94-F129 HydrophobicContact CG2-CZ 3.42Å; I94-F129 VanDerWaalsContact CG2-CZ 3.42Å; I94-N131 PolarHBondContact N-O 3.13Å; I94-P191 HydrophobicContact CD1-CG 4.36Å; I94-P191 HydrophobicContact CG1-CG 4.01Å; I94-W194 HydrophobicContact CB-CZ3 4.07Å
95Q92.9Very high94.2Very high54 Ų5472.4 Ų72.425%0.25237%0.369SS..Hα-helixtrans-60.8-31.5178.367.6-84.423.800113.4A93 Q97 G99 L103A93-Q95 VanDerWaalsContact CB-OE1 3.3Å; A93-Q95 PolarHBondContact O-N 2.88Å; A93-Q95 VanDerWaalsContact O-N 3.15Å; Q95-Q97 VanDerWaalsContact C-N 3.31Å; Q95-G99 CarbonylContact O-C 3.59Å; Q95-G99 WeakPolarHBondContact O-CA 3.35Å; Q95-G99 PolarHBondContact O-N 3.16Å; Q95-L103 HydrophobicContact CB-CD2 3.44Å; Q95-L103 VanDerWaalsContact CB-CD2 3.44Å
96N92.5Very high94.4Very high135 Ų13568.2 Ų68.272%0.72235%0.347SS*.Hα-helixtrans-76.4-24.7177.3-64.2-16.5000111.5A93 I94A93-N96 WeakPolarHBondContact O-CB 3.38Å; A93-N96 PolarHBondContact O-N 3.49Å; I94-N96 PolarHBondContact O-N 3.46Å
97Q93.3Very high94.6Very high107 Ų10769.3 Ų69.350%0.535%0.348SS..Hα-helixtrans-85.2-47.2-178.6-176.764.513.800112.4A93 I94 Q95 P191 W194A93-Q97 PolarHBondContact O-N 2.76Å; I94-Q97 WeakPolarHBondContact O-CB 3.26Å; I94-Q97 PolarHBondContact O-N 3Å; Q95-Q97 VanDerWaalsContact C-N 3.31Å; Q97-P191 HydrophobicContact CB-CG 4.34Å; Q97-P191 HydrophobicContact CG-CB 3.99Å; Q97-P191 HydrophobicContact CG-CG 3.91Å; Q97-W194 HydrophobicContact CB-CH2 3.7Å; Q97-W194 HydrophobicContact CB-CZ2 3.41Å; Q97-W194 VanDerWaalsContact CB-CZ2 3.41Å; Q97-W194 HydrophobicContact CG-CH2 4.23Å; Q97-W194 HydrophobicContact CG-CZ2 3.48Å; Q97-W194 VanDerWaalsContact CG-CZ2 3.48Å
98I95.1Very high94.8Very high28 Ų2866 Ų6614%0.14434%0.338CS..Hα-helixtrans-99.8-12-174.869.9174000113.2I94 L102 L103 L177 P191I94-I98 HydrophobicContact CD1-CD1 4.25Å; I94-I98 HydrophobicContact CG1-CD1 3.94Å; I94-I98 HydrophobicContact CG1-CG1 4.17Å; I94-I98 WeakPolarHBondContact O-CG1 3.47Å; I94-I98 PolarHBondContact O-N 2.98Å; I98-L102 HydrophobicContact CB-CD2 4.07Å; I98-L102 HydrophobicContact CB-CG 4.45Å; I98-L102 HydrophobicContact CD1-CG 4.41Å; I98-L102 WeakPolarHBondContact O-CB 3.37Å; I98-L103 HydrophobicContact CD1-CB 3.98Å; I98-L103 HydrophobicContact CD1-CD1 4.1Å; I98-L103 HydrophobicContact CG1-CB 4.15Å; I98-L177 HydrophobicContact CD1-CD2 4.28Å; I98-L177 HydrophobicContact CG2-CD2 4.27Å; I98-P191 HydrophobicContact CG2-CB 4.09Å; I98-P191 HydrophobicContact CG2-CG 3.69Å
99G96.5Very high95Very high30 Ų3063.6 Ų63.631%0.30932%0.324SS..  trans80.4153.4-175.700000113.4Q95 E101 L103Q95-G99 CarbonylContact O-C 3.59Å; Q95-G99 WeakPolarHBondContact O-CA 3.35Å; Q95-G99 PolarHBondContact O-N 3.16Å; G99-E101 VanDerWaalsContact C-N 3.33Å; G99-E101 PolarHBondContact O-N 2.67Å; G99-L103 VanDerWaalsContact O-CB 3.25Å; G99-L103 WeakPolarHBondContact O-CB 2.98Å; G99-L103 PolarHBondContact O-N 3.39Å; G99-L103 VanDerWaalsContact O-N 3.1Å
100E97.1Very high95.3Very high104 Ų10459.1 Ų59.149%0.48630%0.3SS..Hα-helixtrans-62.4-35.8-178.2-76.4-68.3162.100113.3L103 Q104E100-L103 PolarHBondContact O-N 3.19Å; E100-Q104 VanDerWaalsContact O-CB 3.32Å; E100-Q104 WeakPolarHBondContact O-CB 3.48Å; E100-Q104 VanDerWaalsContact O-CG 3.24Å; E100-Q104 WeakPolarHBondContact O-CG 3.37Å; E100-Q104 PolarHBondContact O-N 2.9Å; E100-Q104 PolarHBondContact OE2-NE2 3.42Å
101E98.1Very high95.8Very high162 Ų16261.8 Ų61.876%0.75731%0.311SS*.Hα-helixtrans-63.1-55-178.6-172.1177.5176.400111.2G99 L103 Q104 D105G99-E101 VanDerWaalsContact C-N 3.33Å; G99-E101 PolarHBondContact O-N 2.67Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.04Å; E101-Q104 PolarHBondContact O-N 3.14Å; E101-D105 PolarHBondContact O-N 3.35Å
102L98Very high96.2Very high31 Ų3159.7 Ų59.716%0.16231%0.312CS..Hα-helixtrans-63.8-38.1177.9178.452.6000112.2I98 D105 L106 F172 K175I98-L102 HydrophobicContact CB-CD2 4.07Å; I98-L102 HydrophobicContact CB-CG 4.45Å; I98-L102 HydrophobicContact CD1-CG 4.41Å; I98-L102 WeakPolarHBondContact O-CB 3.37Å; L102-D105 PolarHBondContact O-N 2.68Å; L102-L106 WeakPolarHBondContact O-CB 3.32Å; L102-L106 PolarHBondContact O-N 2.97Å; L102-F172 HydrophobicContact CD1-CD1 3.71Å; L102-F172 HydrophobicContact CD1-CE1 3.92Å; L102-K175 HydrophobicContact CD1-CB 4.24Å; L102-K175 HydrophobicContact CD1-CD 3.52Å; L102-K175 HydrophobicContact CD2-CB 4.11Å
103L98.1Very high96.7Very high4 Ų459.8 Ų59.82%0.02131%0.311CS..Hα-helixtrans-63.2-43.9176.8177.661.8000111.9Q95 I98 G99 E100 E101 L106 I107 F129 L134Q95-L103 HydrophobicContact CB-CD2 3.44Å; Q95-L103 VanDerWaalsContact CB-CD2 3.44Å; I98-L103 HydrophobicContact CD1-CB 3.98Å; I98-L103 HydrophobicContact CD1-CD1 4.1Å; I98-L103 HydrophobicContact CG1-CB 4.15Å; G99-L103 VanDerWaalsContact O-CB 3.25Å; G99-L103 WeakPolarHBondContact O-CB 2.98Å; G99-L103 PolarHBondContact O-N 3.39Å; G99-L103 VanDerWaalsContact O-N 3.1Å; E100-L103 PolarHBondContact O-N 3.19Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.04Å; L103-L106 PolarHBondContact O-N 3.1Å; L103-I107 HydrophobicContact CD1-CD1 4.02Å; L103-I107 HydrophobicContact CD1-CG1 4.45Å; L103-I107 HydrophobicContact CG-CD1 3.97Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 3.15Å; L103-F129 HydrophobicContact CD1-CE2 3.95Å; L103-F129 HydrophobicContact CD1-CZ 4.46Å; L103-F129 HydrophobicContact CD2-CE2 3.75Å; L103-F129 HydrophobicContact CD2-CZ 3.84Å; L103-F129 HydrophobicContact CG-CE2 4.29Å; L103-L134 HydrophobicContact CD1-CD1 3.9Å; L103-L134 HydrophobicContact CD1-CD2 4.42Å; L103-L134 HydrophobicContact CD1-CG 4.36Å
104Q98.4Very high97.1Very high103 Ų10359.4 Ų59.448%0.48131%0.306SS..Hα-helixtrans-68.5-39.8177.3-73.6178.432.300111.7E100 E101 L106 I107 N108E100-Q104 VanDerWaalsContact O-CB 3.32Å; E100-Q104 WeakPolarHBondContact O-CB 3.48Å; E100-Q104 VanDerWaalsContact O-CG 3.24Å; E100-Q104 WeakPolarHBondContact O-CG 3.37Å; E100-Q104 PolarHBondContact O-N 2.9Å; E100-Q104 PolarHBondContact OE2-NE2 3.42Å; E101-Q104 PolarHBondContact O-N 3.14Å; Q104-L106 VanDerWaalsContact C-N 3.31Å; Q104-L106 PolarHBondContact O-N 3.33Å; Q104-I107 PolarHBondContact O-N 3.37Å; Q104-N108 VanDerWaalsContact O-CB 3.24Å; Q104-N108 WeakPolarHBondContact O-CB 3.46Å; Q104-N108 PolarHBondContact O-N 3.42Å; Q104-N108 PolarHBondContact O-ND2 3.37Å
105D98.6Very high97.2Very high72 Ų7262.2 Ų62.239%0.38534%0.335SS..Hα-helixtrans-55.6-48172.4-77.3-10.2000111.1E101 L102 N108 F109 F172E101-D105 PolarHBondContact O-N 3.35Å; L102-D105 PolarHBondContact O-N 2.68Å; D105-N108 PolarHBondContact O-N 2.66Å; D105-F109 VanDerWaalsContact O-CB 3.31Å; D105-F109 WeakPolarHBondContact O-CB 3.5Å; D105-F109 PolarHBondContact O-N 2.98Å; D105-F172 HydrophobicContact CB-CE1 3.96Å; D105-F172 HydrophobicContact CB-CZ 4.33Å
106L98.4Very high97.4Very high0 Ų066.8 Ų66.80%036%0.36CS..Hα-helixtrans-60.1-48177.3174.463000112.1L102 L103 Q104 C110 L134 L168 F172 L177 V189L102-L106 WeakPolarHBondContact O-CB 3.32Å; L102-L106 PolarHBondContact O-N 2.97Å; L103-L106 PolarHBondContact O-N 3.1Å; Q104-L106 VanDerWaalsContact C-N 3.31Å; Q104-L106 PolarHBondContact O-N 3.33Å; L106-C110 WeakPolarHBondContact O-CB 3.49Å; L106-C110 PolarHBondContact O-N 2.69Å; L106-C110 PolarHBondContact O-SG 2.61Å; L106-L134 HydrophobicContact CD2-CD1 3.72Å; L106-L134 HydrophobicContact CG-CD1 4.16Å; L106-L168 HydrophobicContact CD1-CD2 3.7Å; L106-F172 VanDerWaalsContact CA-CZ 3.46Å; L106-F172 HydrophobicContact CB-CE1 4.14Å; L106-F172 HydrophobicContact CB-CZ 4.16Å; L106-F172 HydrophobicContact CD1-CD2 4.42Å; L106-F172 HydrophobicContact CD1-CE2 4.16Å; L106-F172 HydrophobicContact CD1-CZ 4.35Å; L106-L177 HydrophobicContact CD1-CD1 4.36Å; L106-L177 HydrophobicContact CD2-CD1 4.13Å; L106-V189 HydrophobicContact CD1-CG1 4.21Å; L106-V189 HydrophobicContact CD2-CB 4.3Å; L106-V189 HydrophobicContact CD2-CG1 3.69Å
107I98.6Very high97.6Very high39 Ų3961.6 Ų61.620%0.233%0.332CS..Hα-helixtrans-61.9-48.6179.3-71.8167000110.4L103 Q104 F109 C110 L111 I127 L134L103-I107 HydrophobicContact CD1-CD1 4.02Å; L103-I107 HydrophobicContact CD1-CG1 4.45Å; L103-I107 HydrophobicContact CG-CD1 3.97Å; L103-I107 VanDerWaalsContact O-CG1 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 3.15Å; Q104-I107 PolarHBondContact O-N 3.37Å; I107-F109 PolarHBondContact O-N 3.25Å; I107-C110 PolarHBondContact O-N 2.84Å; I107-L111 HydrophobicContact CG2-CD1 3.85Å; I107-L111 HydrophobicContact CG2-CG 4.34Å; I107-L111 WeakPolarHBondContact O-CG 3.36Å; I107-L111 PolarHBondContact O-N 2.79Å; I107-I127 HydrophobicContact CG2-CD1 4.09Å; I107-L134 HydrophobicContact CD1-CD1 4.43Å; I107-L134 HydrophobicContact CG1-CD1 3.8Å
108N98.7Very high97.8Very high89 Ų8965.9 Ų65.948%0.47635%0.349SS..Hα-helixtrans-64.3-40.4-178.1-71.6-25.2000111.8Q104 D105 S112Q104-N108 VanDerWaalsContact O-CB 3.24Å; Q104-N108 WeakPolarHBondContact O-CB 3.46Å; Q104-N108 PolarHBondContact O-N 3.42Å; Q104-N108 PolarHBondContact O-ND2 3.37Å; D105-N108 PolarHBondContact O-N 2.66Å; N108-S112 VanDerWaalsContact O-CB 3.29Å; N108-S112 WeakPolarHBondContact O-CB 3.42Å; N108-S112 PolarHBondContact O-N 2.86Å; N108-S112 PolarHBondContact O-OG 2.96Å
109F98.8Very high97.9Very high47 Ų4765.8 Ų65.821%0.20635%0.349CS..Hα-helixtrans-60.6-48.5172.5-175.7-84.5000110.8D105 I107 L111 S112 Y113 F164 A167 L168 E171 F172D105-F109 VanDerWaalsContact O-CB 3.31Å; D105-F109 WeakPolarHBondContact O-CB 3.5Å; D105-F109 PolarHBondContact O-N 2.98Å; I107-F109 PolarHBondContact O-N 3.25Å; F109-L111 PolarHBondContact O-N 2.76Å; F109-S112 PolarHBondContact O-N 3.02Å; F109-Y113 HydrophobicContact CE1-CD2 4.1Å; F109-Y113 HydrophobicContact CZ-CD2 4.25Å; F109-Y113 WeakPolarHBondContact O-CB 3.24Å; F109-Y113 PolarHBondContact O-N 2.69Å; F109-F164 HydrophobicContact CD1-CE2 4.43Å; F109-F164 HydrophobicContact CE1-CE2 4.26Å; F109-A167 HydrophobicContact CZ-CB 4.22Å; F109-L168 HydrophobicContact CD1-CD2 3.41Å; F109-L168 VanDerWaalsContact CD1-CD2 3.41Å; F109-L168 HydrophobicContact CD1-CG 4.15Å; F109-L168 HydrophobicContact CE1-CD2 3.67Å; F109-L168 HydrophobicContact CE1-CG 3.93Å; F109-L168 HydrophobicContact CG-CD2 4.39Å; F109-E171 HydrophobicContact CD2-CB 4.3Å; F109-E171 HydrophobicContact CD2-CG 3.66Å; F109-E171 HydrophobicContact CE2-CB 3.81Å; F109-E171 HydrophobicContact CE2-CG 3.6Å; F109-E171 HydrophobicContact CG-CG 4.41Å; F109-E171 HydrophobicContact CZ-CB 4.07Å; F109-E171 HydrophobicContact CZ-CG 4.33Å; F109-F172 HydrophobicContact CB-CE2 3.93Å; F109-F172 HydrophobicContact CB-CZ 3.96Å; F109-F172 HydrophobicContact CD1-CE2 4.18Å; F109-F172 HydrophobicContact CD2-CE2 4.33Å; F109-F172 AromaticContact CG-CE2 3.89Å; F109-F172 HydrophobicContact CG-CE2 3.89Å; F109-F172 HydrophobicContact CG-CZ 4.38Å
110C98.5Very high98Very high0 Ų068.6 Ų68.60%036%0.362CS..Hα-helixtrans-61-44.2-179.6-71.70000112.4L106 I107 M114 I127 I136 F164L106-C110 WeakPolarHBondContact O-CB 3.49Å; L106-C110 PolarHBondContact O-N 2.69Å; L106-C110 PolarHBondContact O-SG 2.61Å; I107-C110 PolarHBondContact O-N 2.84Å; C110-M114 HydrophobicContact CB-CE 4.21Å; C110-M114 WeakPolarHBondContact O-CB 3.19Å; C110-M114 WeakPolarHBondContact O-CE 3.44Å; C110-M114 VanDerWaalsContact O-CG 3.32Å; C110-M114 WeakPolarHBondContact O-CG 3.17Å; C110-M114 PolarHBondContact O-N 2.82Å; C110-I127 HydrophobicContact CB-CD1 3.82Å; C110-I136 HydrophobicContact CB-CD1 4.42Å; C110-F164 HydrophobicContact CB-CZ 4.06Å
111L98.5Very high98Very high89 Ų8966.9 Ų66.947%0.46635%0.352SS..Hα-helixtrans-62.1-46.5177.1-70.9173.1000111.3I107 F109 G115 I127I107-L111 HydrophobicContact CG2-CD1 3.85Å; I107-L111 HydrophobicContact CG2-CG 4.34Å; I107-L111 WeakPolarHBondContact O-CG 3.36Å; I107-L111 PolarHBondContact O-N 2.79Å; F109-L111 PolarHBondContact O-N 2.76Å; L111-G115 PolarHBondContact O-N 3.03Å; L111-I127 HydrophobicContact CD2-CD1 3.89Å; L111-I127 HydrophobicContact CG-CD1 3.86Å
112S98.4Very high98Very high81 Ų8162.8 Ų62.857%0.56633%0.332SS*.Hα-helixtrans-59.8-50.5177.4-61.20000111.5N108 F109 G115N108-S112 VanDerWaalsContact O-CB 3.29Å; N108-S112 WeakPolarHBondContact O-CB 3.42Å; N108-S112 PolarHBondContact O-N 2.86Å; N108-S112 PolarHBondContact O-OG 2.96Å; F109-S112 PolarHBondContact O-N 3.02Å; S112-G115 PolarHBondContact O-N 3.4Å
113Y98.4Very high98Very high65 Ų6566.1 Ų66.126%0.25534%0.343SS..Hα-helixtrans-61.1-48.5-180-166.5-79.7000111.4F109 G115 L116 I117 F164 A167F109-Y113 HydrophobicContact CE1-CD2 4.1Å; F109-Y113 HydrophobicContact CZ-CD2 4.25Å; F109-Y113 WeakPolarHBondContact O-CB 3.24Å; F109-Y113 PolarHBondContact O-N 2.69Å; Y113-G115 PolarHBondContact O-N 2.83Å; Y113-L116 PolarHBondContact O-N 3.12Å; Y113-L116 VanDerWaalsContact O-N 3.11Å; Y113-I117 HydrophobicContact CD1-CD1 3.87Å; Y113-I117 HydrophobicContact CD1-CG1 4.22Å; Y113-I117 HydrophobicContact CE1-CD1 3.87Å; Y113-I117 HydrophobicContact CE1-CG1 4.19Å; Y113-I117 PolarHBondContact O-N 3.4Å; Y113-F164 HydrophobicContact CD1-CB 4.17Å; Y113-F164 AromaticContact CD1-CD1 3.8Å; Y113-F164 HydrophobicContact CD1-CD1 3.8Å; Y113-F164 AromaticContact CD1-CD2 3.24Å; Y113-F164 HydrophobicContact CD1-CD2 3.24Å; Y113-F164 AromaticContact CD1-CE1 3.98Å; Y113-F164 HydrophobicContact CD1-CE1 3.98Å; Y113-F164 AromaticContact CD1-CE2 3.45Å; Y113-F164 HydrophobicContact CD1-CE2 3.45Å; Y113-F164 VanDerWaalsContact CD1-CE2 3.45Å; Y113-F164 AromaticContact CD1-CG 3.46Å; Y113-F164 HydrophobicContact CD1-CG 3.46Å; Y113-F164 VanDerWaalsContact CD1-CG 3.46Å; Y113-F164 AromaticContact CD1-CZ 3.82Å; Y113-F164 HydrophobicContact CD1-CZ 3.82Å; Y113-F164 HydrophobicContact CD2-CD2 4.08Å; Y113-F164 HydrophobicContact CD2-CE2 4.26Å; Y113-F164 HydrophobicContact CE1-CB 3.58Å; Y113-F164 HydrophobicContact CE1-CD1 4.01Å; Y113-F164 AromaticContact CE1-CD2 3.51Å; Y113-F164 HydrophobicContact CE1-CD2 3.51Å; Y113-F164 HydrophobicContact CE1-CE2 4.2Å; Y113-F164 AromaticContact CE1-CG 3.42Å; Y113-F164 HydrophobicContact CE1-CG 3.42Å; Y113-F164 VanDerWaalsContact CE1-CG 3.42Å; Y113-F164 HydrophobicContact CE2-CD2 4.29Å; Y113-F164 AromaticContact CG-CD2 3.57Å; Y113-F164 HydrophobicContact CG-CD2 3.57Å; Y113-F164 AromaticContact CG-CE2 3.49Å; Y113-F164 HydrophobicContact CG-CE2 3.49Å; Y113-F164 VanDerWaalsContact CG-CE2 3.49Å; Y113-F164 HydrophobicContact CG-CG 4.26Å; Y113-F164 HydrophobicContact CG-CZ 4.11Å; Y113-A167 HydrophobicContact CD2-CB 4.31Å; Y113-A167 HydrophobicContact CE2-CB 3.66Å
114M97.9Very high97.9Very high8 Ų867 Ų674%0.03935%0.353CS..Hα-helixtrans-65.1-27.3177.1-72.2-171.4-71.200113.3C110 L116 I117 K122 F126 I127 I136 F164C110-M114 HydrophobicContact CB-CE 4.21Å; C110-M114 WeakPolarHBondContact O-CB 3.19Å; C110-M114 WeakPolarHBondContact O-CE 3.44Å; C110-M114 VanDerWaalsContact O-CG 3.32Å; C110-M114 WeakPolarHBondContact O-CG 3.17Å; C110-M114 PolarHBondContact O-N 2.82Å; M114-L116 PolarHBondContact O-N 3.16Å; M114-I117 HydrophobicContact CG-CD1 4.42Å; M114-I117 PolarHBondContact O-N 3.08Å; M114-K122 PolarHBondContact O-NZ 2.73Å; M114-F126 HydrophobicContact CE-CB 3.69Å; M114-F126 HydrophobicContact SD-CB 3.92Å; M114-F126 HydrophobicContact SD-CD1 4.49Å; M114-I127 HydrophobicContact CE-CD1 4.14Å; M114-I127 HydrophobicContact CE-CG1 3.75Å; M114-I136 HydrophobicContact CE-CG2 4.01Å; M114-I136 HydrophobicContact SD-CG2 3.93Å; M114-F164 HydrophobicContact CG-CD1 4.43Å; M114-F164 HydrophobicContact CG-CE1 3.4Å; M114-F164 HydrophobicContact CG-CZ 3.82Å; M114-F164 HydrophobicContact SD-CE1 4.04Å
115G97.5Very high97.9Very high58 Ų5865.6 Ų65.660%0.59835%0.351SS*.Hα-helixtrans-59.2-31.317300000113L111 S112 Y113L111-G115 PolarHBondContact O-N 3.03Å; S112-G115 PolarHBondContact O-N 3.4Å; Y113-G115 PolarHBondContact O-N 2.83Å
116L96.9Very high97.8Very high150 Ų15065.1 Ų65.179%0.78535%0.346SS*.Hα-helixtrans-88.2-20.9-178.5-59.1176.2000113.7Y113 M114 K118Y113-L116 PolarHBondContact O-N 3.12Å; Y113-L116 VanDerWaalsContact O-N 3.11Å; M114-L116 PolarHBondContact O-N 3.16Å; L116-K118 PolarHBondContact O-N 2.68Å
117I96.6Very high97.8Very high27 Ų2766.9 Ų66.914%0.13836%0.355CS..  trans-72.1122177.9-55.1172.7000109.5Y113 M114 L119 K122 P138 I160 F164Y113-I117 HydrophobicContact CD1-CD1 3.87Å; Y113-I117 HydrophobicContact CD1-CG1 4.22Å; Y113-I117 HydrophobicContact CE1-CD1 3.87Å; Y113-I117 HydrophobicContact CE1-CG1 4.19Å; Y113-I117 PolarHBondContact O-N 3.4Å; M114-I117 HydrophobicContact CG-CD1 4.42Å; M114-I117 PolarHBondContact O-N 3.08Å; I117-L119 HydrophobicContact CG2-CD1 4.47Å; I117-L119 HydrophobicContact CG2-CD2 3.85Å; I117-L119 HydrophobicContact CG2-CG 3.87Å; I117-K122 WeakPolarHBondContact O-CE 3.37Å; I117-K122 PolarHBondContact O-NZ 3.36Å; I117-P138 HydrophobicContact CD1-CB 4.22Å; I117-I160 HydrophobicContact CD1-CG2 3.97Å; I117-I160 HydrophobicContact CG2-CG2 4.18Å; I117-F164 HydrophobicContact CD1-CD1 4.34Å
118K97.1Very high97.6Very high196 Ų19667.4 Ų67.485%0.85236%0.357SS*.  trans-93.8123.7168.1-68.2-171.4179.5-179.30109.8L116L116-K118 PolarHBondContact O-N 2.68Å
119L97.4Very high97.2Very high27 Ų2768 Ų6814%0.14136%0.355CS..  trans-122.7155.5175.8-63.1176.5000109I117 K121 K122 P138 I139 F151 I160I117-L119 HydrophobicContact CG2-CD1 4.47Å; I117-L119 HydrophobicContact CG2-CD2 3.85Å; I117-L119 HydrophobicContact CG2-CG 3.87Å; L119-K121 WeakPolarHBondContact CB-O 3.37Å; L119-K121 PolarHBondContact O-N 3.47Å; L119-K122 HydrophobicContact CB-CG 4.44Å; L119-K122 HydrophobicContact CD1-CG 4.38Å; L119-P138 HydrophobicContact CD1-CB 4.15Å; L119-P138 WeakPolarHBondContact CD1-O 3.35Å; L119-I139 HydrophobicContact CD1-CB 4.22Å; L119-F151 HydrophobicContact CD1-CD2 4.08Å; L119-F151 HydrophobicContact CD1-CE2 3.85Å; L119-F151 HydrophobicContact CD2-CD2 4.33Å; L119-F151 HydrophobicContact CD2-CE2 4.08Å; L119-I160 HydrophobicContact CD2-CD1 3.52Å
120P97.5Very high96.7Very high89 Ų8967.5 Ų67.558%0.57835%0.352SS*.SBendtrans-56.3-34.5172-26.236000112.5I154P120-I154 HydrophobicContact CG-CD1 3.67Å
121K98.3Very high96.1Very high67 Ų6769.4 Ų69.429%0.29136%0.362SS..  trans-139.5137.7179.8-60.7177.1-175.180.10109.8L119 E147 E150L119-K121 WeakPolarHBondContact CB-O 3.37Å; L119-K121 PolarHBondContact O-N 3.47Å; K121-E147 HydrophobicContact CD-CG 3.86Å; K121-E150 IonicContact NZ-OE1 3Å; K121-E150 PolarHBondContact NZ-OE1 2.84Å; K121-E150 IonicContact NZ-OE2 3.76Å; K121-E150 PolarHBondContact NZ-OE2 3.19Å
122K98.5Very high95.6Very high76 Ų7665.2 Ų65.233%0.3334%0.34SS..  trans-123.3146.3161.4-71.9-171.8-179178.90108.3M114 I117 L119 F126M114-K122 PolarHBondContact O-NZ 2.73Å; I117-K122 WeakPolarHBondContact O-CE 3.37Å; I117-K122 PolarHBondContact O-NZ 3.36Å; L119-K122 HydrophobicContact CB-CG 4.44Å; L119-K122 HydrophobicContact CD1-CG 4.38Å; K122-F126 HydrophobicContact CB-CE1 4.06Å; K122-F126 HydrophobicContact CB-CZ 4.06Å; K122-F126 HydrophobicContact CD-CE1 4.17Å; K122-F126 HydrophobicContact CD-CZ 4.34Å; K122-F126 HydrophobicContact CG-CE1 4.26Å
123R98Very high95.2Very high102 Ų10261.7 Ų61.739%0.38532%0.315SS..  trans-119-129.1177-62.9-73.9173.7-98.913.4108.1F126 I139 C143 E147R123-F126 WeakPolarHBondContact O-CZ 3.34Å; R123-I139 PolarHBondContact N-O 3.08Å; R123-C143 HydrophobicContact CB-CB 4.46Å; R123-C143 HydrophobicContact CG-CB 3.87Å; R123-E147 IonicContact CZ-OE1 2.69Å; R123-E147 IonicContact CZ-OE2 3.95Å; R123-E147 IonicContact NE-OE1 3.51Å; R123-E147 PolarHBondContact NE-OE1 3.41Å; R123-E147 IonicContact NE-OE2 2.6Å; R123-E147 PolarHBondContact NE-OE2 2.81Å; R123-E147 IonicContact NH2-OE1 3.03Å; R123-E147 PolarHBondContact NH2-OE1 2.98Å; R123-E147 IonicContact NH2-OE2 3.15Å
124G95.6Very high95Very high23 Ų2358.6 Ų58.624%0.23730%0.303CS..SBendtrans-133.5179.317700000111.7G140 R141 S142G124-G140 CarbonylContact O-C 3.14Å; G124-G140 WeakPolarHBondContact O-CA 3.44Å; G124-R141 PolarHBondContact O-N 2.93Å; G124-S142 WeakPolarHBondContact CA-OG 3.1Å; G124-S142 PolarHBondContact N-OG 3.18Å; G124-S142 PolarHBondContact O-N 3.14Å; G124-S142 PolarHBondContact O-OG 3.34Å
125T96.9Very high94.8Very high72 Ų7258.3 Ų58.344%0.44230%0.301SS..  trans60.258.7-176.4-41.60000111E128 R141T125-E128 HydrophobicContact CG2-CB 3.97Å; T125-E128 HydrophobicContact CG2-CG 4.5Å; T125-R141 HydrophobicContact CG2-CB 4.18Å; T125-R141 PolarHBondContact O-N 3.44Å
126F98.1Very high94.8Very high62 Ų6255.5 Ų55.527%0.27227%0.273SS..SBendtrans-73.4-32.2176.9-58.8-74.3000112.4M114 K122 R123 I136 S137M114-F126 HydrophobicContact CE-CB 3.69Å; M114-F126 HydrophobicContact SD-CB 3.92Å; M114-F126 HydrophobicContact SD-CD1 4.49Å; K122-F126 HydrophobicContact CB-CE1 4.06Å; K122-F126 HydrophobicContact CB-CZ 4.06Å; K122-F126 HydrophobicContact CD-CE1 4.17Å; K122-F126 HydrophobicContact CD-CZ 4.34Å; K122-F126 HydrophobicContact CG-CE1 4.26Å; R123-F126 WeakPolarHBondContact O-CZ 3.34Å; F126-I136 CarbonylContact O-C 3.59Å; F126-I136 WeakPolarHBondContact O-CA 3.37Å; F126-S137 WeakPolarHBondContact CD1-O 3.4Å; F126-S137 PolarHBondContact O-N 3.45Å
127I98Very high94.9Very high38 Ų3848.4 Ų48.420%0.19524%0.235CC..EExtended strand (participates in β ladder)trans-124.4117.1173.1-55.1-176.8000105.6I107 C110 L111 M114 L134 N135 I136I107-I127 HydrophobicContact CG2-CD1 4.09Å; C110-I127 HydrophobicContact CB-CD1 3.82Å; L111-I127 HydrophobicContact CD2-CD1 3.89Å; L111-I127 HydrophobicContact CG-CD1 3.86Å; M114-I127 HydrophobicContact CE-CD1 4.14Å; M114-I127 HydrophobicContact CE-CG1 3.75Å; I127-L134 HydrophobicContact CG2-CB 4.47Å; I127-L134 HydrophobicContact CG2-CD1 4.4Å; I127-L134 HydrophobicContact CG2-CD2 4.29Å; I127-N135 WeakPolarHBondContact CA-O 3.26Å; I127-I136 HydrophobicContact CB-CD1 4.24Å; I127-I136 HydrophobicContact CD1-CD1 4.33Å; I127-I136 HydrophobicContact CG1-CD1 3.85Å; I127-I136 HydrophobicContact CG2-CD1 3.85Å
128E93.4Very high94.9Very high50 Ų5047.1 Ų47.123%0.23423%0.229CC..EExtended strand (participates in β ladder)trans-104.8116171.7179-176.4-97.600108.1T125 R130 N135 R141T125-E128 HydrophobicContact CG2-CB 3.97Å; T125-E128 HydrophobicContact CG2-CG 4.5Å; E128-R130 HydrophobicContact CG-CG 4.4Å; E128-R130 IonicContact OE2-CZ 3.56Å; E128-R130 VanDerWaalsContact OE2-CZ 3.26Å; E128-R130 IonicContact OE2-NE 3.97Å; E128-R130 PolarHBondContact OE2-NE 3.47Å; E128-R130 IonicContact OE2-NH2 3.15Å; E128-R130 PolarHBondContact OE2-NH2 3.49Å; E128-N135 HydrophobicContact CB-CB 4.24Å; E128-N135 PolarHBondContact N-O 3.05Å; E128-N135 PolarHBondContact O-N 3.29Å; E128-R141 WeakPolarHBondContact OE1-CD 3.29Å; E128-R141 IonicContact OE1-CZ 3.53Å; E128-R141 IonicContact OE1-NE 2.69Å; E128-R141 PolarHBondContact OE1-NE 3.4Å; E128-R141 IonicContact OE1-NH2 2.68Å; E128-R141 IonicContact OE2-CZ 2.67Å; E128-R141 IonicContact OE2-NE 2.66Å; E128-R141 PolarHBondContact OE2-NE 2.97Å; E128-R141 IonicContact OE2-NH1 3.77Å; E128-R141 IonicContact OE2-NH2 3.69Å; E128-R141 PolarHBondContact OE2-NH2 3.05Å
129F91.9Very high95Very high100 Ų10038 Ų3844%0.43919%0.189SC..EExtended strand (participates in β ladder)trans-80.7119.1177.4-156.2-76.3000109.5I94 L103 L134I94-F129 HydrophobicContact CG2-CE1 3.7Å; I94-F129 HydrophobicContact CG2-CE2 4.23Å; I94-F129 HydrophobicContact CG2-CZ 3.42Å; I94-F129 VanDerWaalsContact CG2-CZ 3.42Å; L103-F129 HydrophobicContact CD1-CE2 3.95Å; L103-F129 HydrophobicContact CD1-CZ 4.46Å; L103-F129 HydrophobicContact CD2-CE2 3.75Å; L103-F129 HydrophobicContact CD2-CZ 3.84Å; L103-F129 HydrophobicContact CG-CE2 4.29Å; F129-L134 HydrophobicContact CB-CD2 4.26Å; F129-L134 HydrophobicContact CD2-CD2 3.29Å; F129-L134 HydrophobicContact CE2-CD2 3.67Å; F129-L134 HydrophobicContact CG-CD2 3.85Å; F129-L134 HydrophobicContact CZ-CD2 4.5Å
130R86.7Confident95Very high38 Ų3836.7 Ų36.714%0.14318%0.183CC..  trans-112.8178.5171.9-56.6-167.7-175.2153.812.4110E77 E128 M133E77-R130 WeakPolarHBondContact OE2-CB 3.24Å; E128-R130 HydrophobicContact CG-CG 4.4Å; E128-R130 IonicContact OE2-CZ 3.56Å; E128-R130 VanDerWaalsContact OE2-CZ 3.26Å; E128-R130 IonicContact OE2-NE 3.97Å; E128-R130 PolarHBondContact OE2-NE 3.47Å; E128-R130 IonicContact OE2-NH2 3.15Å; E128-R130 PolarHBondContact OE2-NH2 3.49Å; R130-M133 WeakPolarHBondContact CA-O 3.29Å; R130-M133 HydrophobicContact CB-CG 4.03Å; R130-M133 WeakPolarHBondContact CB-O 3.41Å; R130-M133 HydrophobicContact CG-CG 4.4Å; R130-M133 PolarHBondContact N-O 2.95Å
131N86.5Confident94.9Very high39 Ų3934.8 Ų34.821%0.20916%0.164CC..SBendtrans-69.1-46.7179.4-58-57.4000109.9E77 V81 K91 A93 I94E77-N131 PolarHBondContact OE1-ND2 3.12Å; E77-N131 WeakPolarHBondContact OE2-CA 3.38Å; E77-N131 WeakPolarHBondContact OE2-CB 3.42Å; E77-N131 PolarHBondContact OE2-N 2.94Å; V81-N131 HydrophobicContact CG2-CB 4.3Å; K91-N131 WeakPolarHBondContact CE-ND2 3.47Å; K91-N131 WeakPolarHBondContact CE-OD1 3.4Å; K91-N131 PolarHBondContact NZ-OD1 2.75Å; A93-N131 CarbonylContact C-O 3.55Å; A93-N131 WeakPolarHBondContact CA-O 3.31Å; I94-N131 PolarHBondContact N-O 3.13Å
132G87.3Confident94.8Very high1 Ų135 Ų351%0.0117%0.174CC..SBendtrans-88.7-14.6-175.600000116.8E77E77-G132 PolarHBondContact OE2-N 3.42Å
133M91.3Very high94.7Very high7 Ų732 Ų323%0.03416%0.162CC..  trans-163.4163.6-163.261.8-17371.200112.7R130 D188 V189 F190R130-M133 WeakPolarHBondContact CA-O 3.29Å; R130-M133 HydrophobicContact CB-CG 4.03Å; R130-M133 WeakPolarHBondContact CB-O 3.41Å; R130-M133 HydrophobicContact CG-CG 4.4Å; R130-M133 PolarHBondContact N-O 2.95Å; M133-D188 HydrophobicContact SD-CB 3.89Å; M133-V189 CarbonylContact C-O 3.23Å; M133-V189 VanDerWaalsContact CA-O 3.27Å; M133-V189 WeakPolarHBondContact CA-O 3.42Å; M133-V189 WeakPolarHBondContact CB-O 3.46Å; M133-F190 HydrophobicContact CB-CB 3.99Å
134L93.8Very high94.6Very high0 Ų030.1 Ų30.10%016%0.162CC..EExtended strand (participates in β ladder)trans-102.3125.4160.1-59.6-175.8000109.3L103 L106 I107 I127 F129 I136 D188 V189L103-L134 HydrophobicContact CD1-CD1 3.9Å; L103-L134 HydrophobicContact CD1-CD2 4.42Å; L103-L134 HydrophobicContact CD1-CG 4.36Å; L106-L134 HydrophobicContact CD2-CD1 3.72Å; L106-L134 HydrophobicContact CG-CD1 4.16Å; I107-L134 HydrophobicContact CD1-CD1 4.43Å; I107-L134 HydrophobicContact CG1-CD1 3.8Å; I127-L134 HydrophobicContact CG2-CB 4.47Å; I127-L134 HydrophobicContact CG2-CD1 4.4Å; I127-L134 HydrophobicContact CG2-CD2 4.29Å; F129-L134 HydrophobicContact CB-CD2 4.26Å; F129-L134 HydrophobicContact CD2-CD2 3.29Å; F129-L134 HydrophobicContact CE2-CD2 3.67Å; F129-L134 HydrophobicContact CG-CD2 3.85Å; F129-L134 HydrophobicContact CZ-CD2 4.5Å; L134-I136 HydrophobicContact CB-CD1 3.97Å; L134-D188 CarbonylContact O-C 3.52Å; L134-D188 WeakPolarHBondContact O-CA 3.3Å; L134-V189 HydrophobicContact CB-CB 4.49Å; L134-V189 PolarHBondContact N-O 3.22Å; L134-V189 PolarHBondContact O-N 3.33Å
135N93.4Very high94.5Very high2 Ų234.4 Ų34.41%0.01118%0.179CC..EExtended strand (participates in β ladder)trans-93.1121.3168.1-178.8-90.1000109.5I127 E128 R141 S186 D188I127-N135 WeakPolarHBondContact CA-O 3.26Å; E128-N135 HydrophobicContact CB-CB 4.24Å; E128-N135 PolarHBondContact N-O 3.05Å; E128-N135 PolarHBondContact O-N 3.29Å; N135-R141 PolarHBondContact ND2-NH1 3.33Å; N135-R141 VanDerWaalsContact OD1-CD 3.29Å; N135-R141 WeakPolarHBondContact OD1-CD 3.21Å; N135-R141 PolarHBondContact OD1-NH1 3.18Å; N135-S186 WeakPolarHBondContact ND2-CB 3.46Å; N135-S186 PolarHBondContact ND2-OG 3.46Å; N135-S186 VanDerWaalsContact OD1-CB 3.25Å; N135-S186 WeakPolarHBondContact OD1-CB 3.16Å; N135-D188 VanDerWaalsContact CB-OD1 3.3Å; N135-D188 WeakPolarHBondContact CB-OD1 3.37Å; N135-D188 PolarHBondContact ND2-OD1 2.84Å
136I98Very high94.5Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-108.3124.7-176.6-46.6-61.3000109.4C110 M114 F126 I127 L134 F164 S186 F187 V189C110-I136 HydrophobicContact CB-CD1 4.42Å; M114-I136 HydrophobicContact CE-CG2 4.01Å; M114-I136 HydrophobicContact SD-CG2 3.93Å; F126-I136 CarbonylContact O-C 3.59Å; F126-I136 WeakPolarHBondContact O-CA 3.37Å; I127-I136 HydrophobicContact CB-CD1 4.24Å; I127-I136 HydrophobicContact CD1-CD1 4.33Å; I127-I136 HydrophobicContact CG1-CD1 3.85Å; I127-I136 HydrophobicContact CG2-CD1 3.85Å; L134-I136 HydrophobicContact CB-CD1 3.97Å; I136-F164 HydrophobicContact CG2-CE1 3.76Å; I136-F164 HydrophobicContact CG2-CZ 4.1Å; I136-S186 CarbonylContact O-C 3.38Å; I136-S186 WeakPolarHBondContact O-CA 3.45Å; I136-S186 WeakPolarHBondContact O-CB 3.4Å; I136-F187 HydrophobicContact CB-CD2 4.15Å; I136-F187 HydrophobicContact CB-CE1 4.07Å; I136-F187 HydrophobicContact CB-CE2 3.65Å; I136-F187 HydrophobicContact CB-CZ 3.61Å; I136-F187 HydrophobicContact CG1-CD2 4.36Å; I136-F187 HydrophobicContact CG1-CE2 3.79Å; I136-F187 HydrophobicContact CG1-CZ 4.17Å; I136-F187 HydrophobicContact CG2-CE1 4.07Å; I136-F187 HydrophobicContact CG2-CE2 4.14Å; I136-F187 HydrophobicContact CG2-CZ 3.62Å; I136-F187 PolarHBondContact N-O 3.27Å; I136-F187 PolarHBondContact O-N 2.73Å; I136-V189 HydrophobicContact CG1-CG2 3.88Å
137S98Very high94.5Very high0 Ų035.3 Ų35.30%018%0.179CC..  trans-131.4108.1-178179.60000110.7F126 I139 G140 I185F126-S137 WeakPolarHBondContact CD1-O 3.4Å; F126-S137 PolarHBondContact O-N 3.45Å; S137-I139 VanDerWaalsContact C-N 3.29Å; S137-I139 PolarHBondContact O-N 2.8Å; S137-G140 PolarHBondContact O-N 3.08Å; S137-G140 PolarHBondContact OG-N 2.8Å; S137-I185 PolarHBondContact OG-O 3.06Å
138P98.3Very high94.5Very high1 Ų136.7 Ų36.71%0.00618%0.182CC..SBendtrans-59.5-34.6-179.7-27.536.4000114.4I117 L119 F151 I160 R161 F164 I185I117-P138 HydrophobicContact CD1-CB 4.22Å; L119-P138 HydrophobicContact CD1-CB 4.15Å; L119-P138 WeakPolarHBondContact CD1-O 3.35Å; P138-F151 HydrophobicContact CB-CE2 3.99Å; P138-F151 HydrophobicContact CB-CZ 3.97Å; P138-F151 HydrophobicContact CG-CZ 4.01Å; P138-I160 HydrophobicContact CB-CG2 4.39Å; P138-I160 HydrophobicContact CG-CG2 4.32Å; P138-R161 HydrophobicContact CG-CG 4.36Å; P138-F164 HydrophobicContact CG-CD1 4.26Å; P138-I185 WeakPolarHBondContact CD-O 3.46Å
139I98.4Very high94.6Very high4 Ų438.1 Ų38.12%0.02119%0.19CC..SBendtrans-78.7-24.5174.4-177.8162.8000112.5L119 R123 S137 C143 E147 F151 I185L119-I139 HydrophobicContact CD1-CB 4.22Å; R123-I139 PolarHBondContact N-O 3.08Å; S137-I139 VanDerWaalsContact C-N 3.29Å; S137-I139 PolarHBondContact O-N 2.8Å; I139-C143 HydrophobicContact CD1-CB 4.14Å; I139-C143 HydrophobicContact CG1-CB 4.15Å; I139-E147 HydrophobicContact CD1-CB 4.15Å; I139-E147 WeakPolarHBondContact CD1-O 3.39Å; I139-F151 HydrophobicContact CB-CB 4.34Å; I139-F151 HydrophobicContact CB-CD2 3.71Å; I139-F151 HydrophobicContact CB-CE2 4.2Å; I139-F151 HydrophobicContact CB-CG 3.99Å; I139-F151 HydrophobicContact CD1-CB 3.72Å; I139-F151 HydrophobicContact CD1-CD2 4.43Å; I139-F151 HydrophobicContact CD1-CG 4.32Å; I139-F151 HydrophobicContact CG2-CB 4.19Å; I139-F151 HydrophobicContact CG2-CD1 4.08Å; I139-F151 HydrophobicContact CG2-CD2 3.97Å; I139-F151 HydrophobicContact CG2-CE1 4.5Å; I139-F151 HydrophobicContact CG2-CE2 4.4Å; I139-F151 HydrophobicContact CG2-CG 3.78Å; I139-I185 HydrophobicContact CG2-CB 3.83Å; I139-I185 HydrophobicContact CG2-CD1 4.42Å; I139-I185 HydrophobicContact CG2-CG2 4Å
140G97.8Very high94.9Very high0 Ų036.3 Ų36.30%018%0.183CC..  trans90.6139.6-170.800000112.3G124 S137 S142 C143G124-G140 CarbonylContact O-C 3.14Å; G124-G140 WeakPolarHBondContact O-CA 3.44Å; S137-G140 PolarHBondContact O-N 3.08Å; S137-G140 PolarHBondContact OG-N 2.8Å; G140-S142 VanDerWaalsContact C-N 3.3Å; G140-S142 PolarHBondContact O-N 3.46Å; G140-C143 PolarHBondContact O-SG 3.42Å
141R94.6Very high95.4Very high48 Ų4834.7 Ų34.718%0.18118%0.177CC..THydrogen-bonded Turntrans-71.3-19.8-173.7-66177.366.983.2-4114.5G124 T125 E128 N135 C143 R148G124-R141 PolarHBondContact O-N 2.93Å; T125-R141 HydrophobicContact CG2-CB 4.18Å; T125-R141 PolarHBondContact O-N 3.44Å; E128-R141 WeakPolarHBondContact OE1-CD 3.29Å; E128-R141 IonicContact OE1-CZ 3.53Å; E128-R141 IonicContact OE1-NE 2.69Å; E128-R141 PolarHBondContact OE1-NE 3.4Å; E128-R141 IonicContact OE1-NH2 2.68Å; E128-R141 IonicContact OE2-CZ 2.67Å; E128-R141 IonicContact OE2-NE 2.66Å; E128-R141 PolarHBondContact OE2-NE 2.97Å; E128-R141 IonicContact OE2-NH1 3.77Å; E128-R141 IonicContact OE2-NH2 3.69Å; E128-R141 PolarHBondContact OE2-NH2 3.05Å; N135-R141 PolarHBondContact ND2-NH1 3.33Å; N135-R141 VanDerWaalsContact OD1-CD 3.29Å; N135-R141 WeakPolarHBondContact OD1-CD 3.21Å; N135-R141 PolarHBondContact OD1-NH1 3.18Å; R141-C143 PolarHBondContact O-N 3.12Å; R141-C143 VanDerWaalsContact O-N 3.16Å; R141-R148 PolarHBondContact O-NH2 3.47Å
142S95.9Very high95.9Very high73 Ų7333.2 Ų33.251%0.5117%0.17SC..THydrogen-bonded Turntrans-79.719.8178.162.80000114.3G124 G140G124-S142 WeakPolarHBondContact CA-OG 3.1Å; G124-S142 PolarHBondContact N-OG 3.18Å; G124-S142 PolarHBondContact O-N 3.14Å; G124-S142 PolarHBondContact O-OG 3.34Å; G140-S142 VanDerWaalsContact C-N 3.3Å; G140-S142 PolarHBondContact O-N 3.46Å
143C96.6Very high96.4Very high11 Ų1138.9 Ų38.97%0.07420%0.196CC..  trans-80.5153.2173.957.40000113.3R123 I139 G140 R141 E147 R148R123-C143 HydrophobicContact CB-CB 4.46Å; R123-C143 HydrophobicContact CG-CB 3.87Å; I139-C143 HydrophobicContact CD1-CB 4.14Å; I139-C143 HydrophobicContact CG1-CB 4.15Å; G140-C143 PolarHBondContact O-SG 3.42Å; R141-C143 PolarHBondContact O-N 3.12Å; R141-C143 VanDerWaalsContact O-N 3.16Å; C143-E147 WeakPolarHBondContact CA-OE2 3.44Å; C143-E147 HydrophobicContact CB-CB 3.83Å; C143-E147 WeakPolarHBondContact CB-OE2 3.41Å; C143-R148 WeakPolarHBondContact SG-CG 3.32Å
144T96.6Very high96.7Very high63 Ų6339.4 Ų39.439%0.38720%0.199SC..  trans-71.9170.3176.679.80000111.7E146 E147 R148T144-E146 VanDerWaalsContact C-N 3.34Å; T144-E146 WeakPolarHBondContact CB-OE2 3.47Å; T144-E146 PolarHBondContact O-N 2.81Å; T144-E146 PolarHBondContact OG1-N 3.06Å; T144-E146 PolarHBondContact OG1-OE2 2.93Å; T144-E147 PolarHBondContact N-OE2 3.49Å; T144-E147 PolarHBondContact O-N 2.73Å; T144-E147 WeakPolarHBondContact OG1-CG 3.35Å; T144-E147 PolarHBondContact OG1-N 3.34Å; T144-R148 VanDerWaalsContact O-CG 3.25Å; T144-R148 WeakPolarHBondContact O-CG 3.33Å; T144-R148 PolarHBondContact O-N 2.88Å
145L92.9Very high96.9Very high113 Ų11339.4 Ų39.459%0.59220%0.199SC*.Hα-helixtrans-62-42.3177-178.658.5000112.1E147 R148 I149L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.28Å; L145-R148 WeakPolarHBondContact O-CB 3.33Å; L145-R148 PolarHBondContact O-N 3.35Å; L145-I149 HydrophobicContact CD1-CD1 4.43Å; L145-I149 HydrophobicContact CG-CD1 4.24Å; L145-I149 WeakPolarHBondContact O-CG1 3.42Å; L145-I149 PolarHBondContact O-N 2.99Å; L145-I149 VanDerWaalsContact O-N 3.08Å
146E97.5Very high97Very high134 Ų13446.4 Ų46.463%0.62623%0.229SC*.Hα-helixtrans-61.2-42.5177.9-58.177.5-165.200110.9T144 R148 I149 E150T144-E146 VanDerWaalsContact C-N 3.34Å; T144-E146 WeakPolarHBondContact CB-OE2 3.47Å; T144-E146 PolarHBondContact O-N 2.81Å; T144-E146 PolarHBondContact OG1-N 3.06Å; T144-E146 PolarHBondContact OG1-OE2 2.93Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 2.98Å; E146-I149 PolarHBondContact O-N 2.9Å; E146-E150 PolarHBondContact O-N 2.91Å
147E98.1Very high97Very high20 Ų2054.4 Ų54.49%0.09326%0.259CS..Hα-helixtrans-66.7-34.5177.4-66.6171.517200112.4K121 R123 I139 C143 T144 L145 F151K121-E147 HydrophobicContact CD-CG 3.86Å; R123-E147 IonicContact CZ-OE1 2.69Å; R123-E147 IonicContact CZ-OE2 3.95Å; R123-E147 IonicContact NE-OE1 3.51Å; R123-E147 PolarHBondContact NE-OE1 3.41Å; R123-E147 IonicContact NE-OE2 2.6Å; R123-E147 PolarHBondContact NE-OE2 2.81Å; R123-E147 IonicContact NH2-OE1 3.03Å; R123-E147 PolarHBondContact NH2-OE1 2.98Å; R123-E147 IonicContact NH2-OE2 3.15Å; I139-E147 HydrophobicContact CD1-CB 4.15Å; I139-E147 WeakPolarHBondContact CD1-O 3.39Å; C143-E147 WeakPolarHBondContact CA-OE2 3.44Å; C143-E147 HydrophobicContact CB-CB 3.83Å; C143-E147 WeakPolarHBondContact CB-OE2 3.41Å; T144-E147 PolarHBondContact N-OE2 3.49Å; T144-E147 PolarHBondContact O-N 2.73Å; T144-E147 WeakPolarHBondContact OG1-CG 3.35Å; T144-E147 PolarHBondContact OG1-N 3.34Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.28Å; E147-F151 WeakPolarHBondContact O-CB 3.01Å; E147-F151 PolarHBondContact O-N 3.16Å
148R96.9Very high96.9Very high67 Ų6758.2 Ų58.225%0.25328%0.277SS..Hα-helixtrans-63.3-42.6173.4-71.8170.5176.5-112-3.2111.5R141 C143 T144 L145 E146 S152 I185R141-R148 PolarHBondContact O-NH2 3.47Å; C143-R148 WeakPolarHBondContact SG-CG 3.32Å; T144-R148 VanDerWaalsContact O-CG 3.25Å; T144-R148 WeakPolarHBondContact O-CG 3.33Å; T144-R148 PolarHBondContact O-N 2.88Å; L145-R148 WeakPolarHBondContact O-CB 3.33Å; L145-R148 PolarHBondContact O-N 3.35Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 2.98Å; R148-S152 WeakPolarHBondContact O-CB 3.43Å; R148-S152 PolarHBondContact O-N 2.85Å; R148-I185 HydrophobicContact CB-CG2 3.8Å; R148-I185 HydrophobicContact CG-CD1 4.25Å; R148-I185 HydrophobicContact CG-CG2 3.69Å
149I96.4Very high96.9Very high80 Ų8062.7 Ų62.741%0.4130%0.297SS..Hα-helixtrans-66.7-48.7178.7-65.9165.9000109.6L145 E146 F151 S152 E153L145-I149 HydrophobicContact CD1-CD1 4.43Å; L145-I149 HydrophobicContact CG-CD1 4.24Å; L145-I149 WeakPolarHBondContact O-CG1 3.42Å; L145-I149 PolarHBondContact O-N 2.99Å; L145-I149 VanDerWaalsContact O-N 3.08Å; E146-I149 PolarHBondContact O-N 2.9Å; I149-F151 PolarHBondContact O-N 2.9Å; I149-S152 WeakPolarHBondContact O-CB 3.47Å; I149-S152 PolarHBondContact O-N 3.3Å; I149-S152 VanDerWaalsContact O-N 3.09Å; I149-E153 PolarHBondContact O-N 3.27Å
150E98.1Very high96.9Very high62 Ų6263.2 Ų63.229%0.2930%0.299SS..Hα-helixtrans-56.1-47.4176.5-176.9-174.4-15900111.6K121 E146 S152 E153 I154K121-E150 IonicContact NZ-OE1 3Å; K121-E150 PolarHBondContact NZ-OE1 2.84Å; K121-E150 IonicContact NZ-OE2 3.76Å; K121-E150 PolarHBondContact NZ-OE2 3.19Å; E146-E150 PolarHBondContact O-N 2.91Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 3.08Å; E150-E153 PolarHBondContact O-N 3.36Å; E150-I154 HydrophobicContact CG-CD1 4.1Å; E150-I154 VanDerWaalsContact O-CG1 3.31Å; E150-I154 WeakPolarHBondContact O-CG1 3.25Å; E150-I154 PolarHBondContact O-N 3Å; E150-I154 VanDerWaalsContact O-N 3.12Å
151F98.1Very high96.8Very high4 Ų463.5 Ų63.52%0.01830%0.3CS..Hα-helixtrans-61.6-42.2175.8177.6-95.1000112.3L119 P138 I139 E147 I149 E153 I154 D155 R161 I185L119-F151 HydrophobicContact CD1-CD2 4.08Å; L119-F151 HydrophobicContact CD1-CE2 3.85Å; L119-F151 HydrophobicContact CD2-CD2 4.33Å; L119-F151 HydrophobicContact CD2-CE2 4.08Å; P138-F151 HydrophobicContact CB-CE2 3.99Å; P138-F151 HydrophobicContact CB-CZ 3.97Å; P138-F151 HydrophobicContact CG-CZ 4.01Å; I139-F151 HydrophobicContact CB-CB 4.34Å; I139-F151 HydrophobicContact CB-CD2 3.71Å; I139-F151 HydrophobicContact CB-CE2 4.2Å; I139-F151 HydrophobicContact CB-CG 3.99Å; I139-F151 HydrophobicContact CD1-CB 3.72Å; I139-F151 HydrophobicContact CD1-CD2 4.43Å; I139-F151 HydrophobicContact CD1-CG 4.32Å; I139-F151 HydrophobicContact CG2-CB 4.19Å; I139-F151 HydrophobicContact CG2-CD1 4.08Å; I139-F151 HydrophobicContact CG2-CD2 3.97Å; I139-F151 HydrophobicContact CG2-CE1 4.5Å; I139-F151 HydrophobicContact CG2-CE2 4.4Å; I139-F151 HydrophobicContact CG2-CG 3.78Å; E147-F151 WeakPolarHBondContact O-CB 3.01Å; E147-F151 PolarHBondContact O-N 3.16Å; I149-F151 PolarHBondContact O-N 2.9Å; F151-E153 VanDerWaalsContact C-N 3.3Å; F151-E153 PolarHBondContact O-N 3.48Å; F151-I154 PolarHBondContact O-N 2.74Å; F151-D155 HydrophobicContact CD1-CB 4.35Å; F151-D155 HydrophobicContact CE1-CB 3.98Å; F151-D155 HydrophobicContact CZ-CB 4.23Å; F151-D155 VanDerWaalsContact O-CB 3.25Å; F151-D155 WeakPolarHBondContact O-CB 3.21Å; F151-D155 PolarHBondContact O-N 2.78Å; F151-R161 HydrophobicContact CE1-CG 4.38Å; F151-R161 HydrophobicContact CZ-CG 4.29Å; F151-I185 HydrophobicContact CB-CG2 4.46Å; F151-I185 HydrophobicContact CD1-CB 4.02Å; F151-I185 HydrophobicContact CD1-CG2 3.85Å; F151-I185 HydrophobicContact CE1-CB 4.32Å; F151-I185 WeakPolarHBondContact CE1-O 3.48Å; F151-I185 HydrophobicContact CG-CG2 4.47Å
152S96.7Very high96.9Very high8 Ų865.8 Ų65.86%0.05631%0.313CS..Hα-helixtrans-59.8-40.9179.2-177.90000111.9R148 I149 E150 K156R148-S152 WeakPolarHBondContact O-CB 3.43Å; R148-S152 PolarHBondContact O-N 2.85Å; I149-S152 WeakPolarHBondContact O-CB 3.47Å; I149-S152 PolarHBondContact O-N 3.3Å; I149-S152 VanDerWaalsContact O-N 3.09Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 3.08Å; S152-K156 VanDerWaalsContact O-CG 3.27Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 3.23Å
153E97.6Very high97Very high120 Ų12068 Ų6856%0.56131%0.314SS*.Hα-helixtrans-66-42.9176.1-68.4179169.600112.3I149 E150 F151 K156 R157I149-E153 PolarHBondContact O-N 3.27Å; E150-E153 PolarHBondContact O-N 3.36Å; F151-E153 VanDerWaalsContact C-N 3.3Å; F151-E153 PolarHBondContact O-N 3.48Å; E153-K156 PolarHBondContact O-N 3.27Å; E153-R157 PolarHBondContact O-N 3.24Å
154I97.8Very high97Very high17 Ų1767.5 Ų67.59%0.08731%0.31CS..Hα-helixtrans-63.2-48.2175.3-65.4165.2000110.4P120 E150 F151 K156 R157 E158 I160P120-I154 HydrophobicContact CG-CD1 3.67Å; E150-I154 HydrophobicContact CG-CD1 4.1Å; E150-I154 VanDerWaalsContact O-CG1 3.31Å; E150-I154 WeakPolarHBondContact O-CG1 3.25Å; E150-I154 PolarHBondContact O-N 3Å; E150-I154 VanDerWaalsContact O-N 3.12Å; F151-I154 PolarHBondContact O-N 2.74Å; I154-K156 VanDerWaalsContact C-N 3.3Å; I154-K156 PolarHBondContact O-N 2.94Å; I154-R157 PolarHBondContact O-N 2.76Å; I154-R157 VanDerWaalsContact O-N 3.08Å; I154-E158 HydrophobicContact CG2-CG 4.48Å; I154-E158 WeakPolarHBondContact O-CB 3.2Å; I154-E158 PolarHBondContact O-N 3.08Å; I154-I160 HydrophobicContact CG2-CD1 3.85Å
155D97.5Very high97Very high0 Ų065.5 Ų65.50%030%0.298CS..Hα-helixtrans-61.1-36.9-179.7179.161.3000112.2F151 K159 I160 R161 R181F151-D155 HydrophobicContact CD1-CB 4.35Å; F151-D155 HydrophobicContact CE1-CB 3.98Å; F151-D155 HydrophobicContact CZ-CB 4.23Å; F151-D155 VanDerWaalsContact O-CB 3.25Å; F151-D155 WeakPolarHBondContact O-CB 3.21Å; F151-D155 PolarHBondContact O-N 2.78Å; D155-K159 WeakPolarHBondContact O-CA 3.26Å; D155-K159 PolarHBondContact O-N 3.09Å; D155-I160 PolarHBondContact OD1-N 3.22Å; D155-I160 VanDerWaalsContact OD1-N 3.14Å; D155-R161 PolarHBondContact OD1-N 2.95Å; D155-R161 IonicContact OD1-NE 2.97Å; D155-R161 IonicContact OD2-CZ 3.28Å; D155-R161 IonicContact OD2-NE 3.84Å; D155-R161 PolarHBondContact OD2-NE 3.29Å; D155-R161 IonicContact OD2-NH2 3.42Å; D155-R161 PolarHBondContact OD2-NH2 2.85Å; D155-R181 IonicContact OD2-CZ 3.39Å; D155-R181 IonicContact OD2-NH2 3.8Å; D155-R181 PolarHBondContact OD2-NH2 2.88Å
156K95.3Very high97.2Very high149 Ų14962.4 Ų62.465%0.64829%0.289SS*.Hα-helixtrans-62-41.3172.8-76.9172.8-175.9-1800112.4S152 E153 I154S152-K156 VanDerWaalsContact O-CG 3.27Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 3.23Å; E153-K156 PolarHBondContact O-N 3.27Å; I154-K156 VanDerWaalsContact C-N 3.3Å; I154-K156 PolarHBondContact O-N 2.94Å
157R97.1Very high97.3Very high168 Ų16857.1 Ų57.163%0.63427%0.268SS*.Hα-helixtrans-76.2-43.3-179.1-177.9179.961.6-113.5-4.2112.4E153 I154E153-R157 PolarHBondContact O-N 3.24Å; I154-R157 PolarHBondContact O-N 2.76Å; I154-R157 VanDerWaalsContact O-N 3.08Å
158E97.7Very high97.3Very high80 Ų8056.2 Ų56.237%0.37426%0.263SS..Hα-helixtrans-100.4-9.8-169.1-68.1175.2-14800113.4I154 I160 K163I154-E158 HydrophobicContact CG2-CG 4.48Å; I154-E158 WeakPolarHBondContact O-CB 3.2Å; I154-E158 PolarHBondContact O-N 3.08Å; E158-I160 VanDerWaalsContact C-N 3.33Å; E158-I160 HydrophobicContact CB-CD1 4.33Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 2.77Å; E158-K163 WeakPolarHBondContact O-CE 3.45Å; E158-K163 PolarHBondContact O-NZ 3.48Å
159K97.3Very high97.3Very high95 Ų9557.9 Ų57.941%0.41327%0.274SS..  trans57.143.5178.4-65.8179.5157.3-135.50112.4D155 E162 K163D155-K159 WeakPolarHBondContact O-CA 3.26Å; D155-K159 PolarHBondContact O-N 3.09Å; K159-E162 HydrophobicContact CB-CB 4.14Å; K159-E162 WeakPolarHBondContact CD-OE2 3.46Å; K159-E162 WeakPolarHBondContact CE-OE2 3.27Å; K159-E162 IonicContact NZ-OE1 2.89Å; K159-E162 PolarHBondContact NZ-OE1 3.28Å; K159-E162 IonicContact NZ-OE2 2.57Å; K159-E162 PolarHBondContact NZ-OE2 3.27Å; K159-E162 VanDerWaalsContact NZ-OE2 3.15Å; K159-E162 PolarHBondContact O-N 3.35Å; K159-K163 WeakPolarHBondContact O-CB 3.41Å; K159-K163 VanDerWaalsContact O-CG 3.26Å; K159-K163 WeakPolarHBondContact O-CG 3.49Å; K159-K163 PolarHBondContact O-N 3.39Å
160I97.7Very high97.4Very high15 Ų1561.7 Ų61.78%0.07729%0.29CS..Hα-helixtrans-63-53.4-170.8-60.4-177.3000110.7I117 L119 P138 I154 D155 E158 F164I117-I160 HydrophobicContact CD1-CG2 3.97Å; I117-I160 HydrophobicContact CG2-CG2 4.18Å; L119-I160 HydrophobicContact CD2-CD1 3.52Å; P138-I160 HydrophobicContact CB-CG2 4.39Å; P138-I160 HydrophobicContact CG-CG2 4.32Å; I154-I160 HydrophobicContact CG2-CD1 3.85Å; D155-I160 PolarHBondContact OD1-N 3.22Å; D155-I160 VanDerWaalsContact OD1-N 3.14Å; E158-I160 VanDerWaalsContact C-N 3.33Å; E158-I160 HydrophobicContact CB-CD1 4.33Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 2.77Å; I160-F164 WeakPolarHBondContact O-CB 3.39Å; I160-F164 PolarHBondContact O-N 3.45Å
161R97.1Very high97.4Very high6 Ų663.7 Ų63.72%0.02330%0.3CS..Hα-helixtrans-66.8-38.9179.2-68.2-176.7-68.3170.6-8.8112.3P138 F151 D155 F164 V165 R181 G183 L184 S186 F187P138-R161 HydrophobicContact CG-CG 4.36Å; F151-R161 HydrophobicContact CE1-CG 4.38Å; F151-R161 HydrophobicContact CZ-CG 4.29Å; D155-R161 PolarHBondContact OD1-N 2.95Å; D155-R161 IonicContact OD1-NE 2.97Å; D155-R161 IonicContact OD2-CZ 3.28Å; D155-R161 IonicContact OD2-NE 3.84Å; D155-R161 PolarHBondContact OD2-NE 3.29Å; D155-R161 IonicContact OD2-NH2 3.42Å; D155-R161 PolarHBondContact OD2-NH2 2.85Å; R161-F164 PolarHBondContact O-N 3.02Å; R161-V165 WeakPolarHBondContact O-CB 3.39Å; R161-V165 VanDerWaalsContact O-CG2 3.31Å; R161-V165 WeakPolarHBondContact O-CG2 3.36Å; R161-V165 PolarHBondContact O-N 3.01Å; R161-R181 VanDerWaalsContact NH2-NE 3.14Å; R161-R181 VanDerWaalsContact NH2-NH2 3.18Å; R161-G183 PolarHBondContact NH1-O 2.91Å; R161-L184 VanDerWaalsContact CZ-O 3.26Å; R161-L184 PolarHBondContact NH1-O 2.82Å; R161-L184 PolarHBondContact NH2-O 2.78Å; R161-S186 WeakPolarHBondContact CD-O 3.38Å; R161-S186 PolarHBondContact NH1-O 2.73Å; R161-F187 HydrophobicContact CB-CD1 4.13Å; R161-F187 HydrophobicContact CG-CD1 4.07Å
162E95.4Very high97.3Very high97 Ų9763.9 Ų63.945%0.45330%0.301SS..Hα-helixtrans-60.9-49177.4-178.1-174.3140.100111.1K159 F164 V165 A166K159-E162 HydrophobicContact CB-CB 4.14Å; K159-E162 WeakPolarHBondContact CD-OE2 3.46Å; K159-E162 WeakPolarHBondContact CE-OE2 3.27Å; K159-E162 IonicContact NZ-OE1 2.89Å; K159-E162 PolarHBondContact NZ-OE1 3.28Å; K159-E162 IonicContact NZ-OE2 2.57Å; K159-E162 PolarHBondContact NZ-OE2 3.27Å; K159-E162 VanDerWaalsContact NZ-OE2 3.15Å; K159-E162 PolarHBondContact O-N 3.35Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 3.42Å; E162-V165 PolarHBondContact O-N 2.95Å; E162-A166 WeakPolarHBondContact O-CB 3.41Å; E162-A166 PolarHBondContact O-N 2.98Å
163K97.8Very high97.4Very high119 Ų11966.9 Ų66.952%0.51733%0.326SS..Hα-helixtrans-63.1-39.9176.2-71.8169179.5165.50112.4E158 K159 A166 A167E158-K163 WeakPolarHBondContact O-CE 3.45Å; E158-K163 PolarHBondContact O-NZ 3.48Å; K159-K163 WeakPolarHBondContact O-CB 3.41Å; K159-K163 VanDerWaalsContact O-CG 3.26Å; K159-K163 WeakPolarHBondContact O-CG 3.49Å; K159-K163 PolarHBondContact O-N 3.39Å; K163-A166 PolarHBondContact O-N 3.28Å; K163-A167 PolarHBondContact O-N 3.27Å
164F98Very high97.3Very high0 Ų065.5 Ų65.50%034%0.344CS..Hα-helixtrans-66.3-45.6178.5-167179000111.4F109 C110 Y113 M114 I117 I136 P138 I160 R161 E162 A166 A167 L168 F187F109-F164 HydrophobicContact CD1-CE2 4.43Å; F109-F164 HydrophobicContact CE1-CE2 4.26Å; C110-F164 HydrophobicContact CB-CZ 4.06Å; Y113-F164 HydrophobicContact CD1-CB 4.17Å; Y113-F164 AromaticContact CD1-CD1 3.8Å; Y113-F164 HydrophobicContact CD1-CD1 3.8Å; Y113-F164 AromaticContact CD1-CD2 3.24Å; Y113-F164 HydrophobicContact CD1-CD2 3.24Å; Y113-F164 AromaticContact CD1-CE1 3.98Å; Y113-F164 HydrophobicContact CD1-CE1 3.98Å; Y113-F164 AromaticContact CD1-CE2 3.45Å; Y113-F164 HydrophobicContact CD1-CE2 3.45Å; Y113-F164 VanDerWaalsContact CD1-CE2 3.45Å; Y113-F164 AromaticContact CD1-CG 3.46Å; Y113-F164 HydrophobicContact CD1-CG 3.46Å; Y113-F164 VanDerWaalsContact CD1-CG 3.46Å; Y113-F164 AromaticContact CD1-CZ 3.82Å; Y113-F164 HydrophobicContact CD1-CZ 3.82Å; Y113-F164 HydrophobicContact CD2-CD2 4.08Å; Y113-F164 HydrophobicContact CD2-CE2 4.26Å; Y113-F164 HydrophobicContact CE1-CB 3.58Å; Y113-F164 HydrophobicContact CE1-CD1 4.01Å; Y113-F164 AromaticContact CE1-CD2 3.51Å; Y113-F164 HydrophobicContact CE1-CD2 3.51Å; Y113-F164 HydrophobicContact CE1-CE2 4.2Å; Y113-F164 AromaticContact CE1-CG 3.42Å; Y113-F164 HydrophobicContact CE1-CG 3.42Å; Y113-F164 VanDerWaalsContact CE1-CG 3.42Å; Y113-F164 HydrophobicContact CE2-CD2 4.29Å; Y113-F164 AromaticContact CG-CD2 3.57Å; Y113-F164 HydrophobicContact CG-CD2 3.57Å; Y113-F164 AromaticContact CG-CE2 3.49Å; Y113-F164 HydrophobicContact CG-CE2 3.49Å; Y113-F164 VanDerWaalsContact CG-CE2 3.49Å; Y113-F164 HydrophobicContact CG-CG 4.26Å; Y113-F164 HydrophobicContact CG-CZ 4.11Å; M114-F164 HydrophobicContact CG-CD1 4.43Å; M114-F164 HydrophobicContact CG-CE1 3.4Å; M114-F164 HydrophobicContact CG-CZ 3.82Å; M114-F164 HydrophobicContact SD-CE1 4.04Å; I117-F164 HydrophobicContact CD1-CD1 4.34Å; I136-F164 HydrophobicContact CG2-CE1 3.76Å; I136-F164 HydrophobicContact CG2-CZ 4.1Å; P138-F164 HydrophobicContact CG-CD1 4.26Å; I160-F164 WeakPolarHBondContact O-CB 3.39Å; I160-F164 PolarHBondContact O-N 3.45Å; R161-F164 PolarHBondContact O-N 3.02Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 3.42Å; F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 PolarHBondContact O-N 3.47Å; F164-A167 PolarHBondContact O-N 2.85Å; F164-L168 HydrophobicContact CD2-CD1 3.86Å; F164-L168 HydrophobicContact CD2-CG 4.06Å; F164-L168 HydrophobicContact CE2-CD1 3.8Å; F164-L168 HydrophobicContact CE2-CD2 4.48Å; F164-L168 HydrophobicContact CE2-CG 4Å; F164-L168 WeakPolarHBondContact O-CG 3.48Å; F164-L168 PolarHBondContact O-N 3.25Å; F164-F187 HydrophobicContact CB-CE1 4.3Å; F164-F187 HydrophobicContact CB-CZ 4.42Å; F164-F187 AromaticContact CD1-CE1 3.62Å; F164-F187 HydrophobicContact CD1-CE1 3.62Å; F164-F187 AromaticContact CD1-CZ 3.63Å; F164-F187 HydrophobicContact CD1-CZ 3.63Å; F164-F187 HydrophobicContact CD2-CZ 4.31Å; F164-F187 HydrophobicContact CE1-CE1 4.11Å; F164-F187 AromaticContact CE1-CZ 3.82Å; F164-F187 HydrophobicContact CE1-CZ 3.82Å; F164-F187 HydrophobicContact CE2-CZ 4.48Å; F164-F187 HydrophobicContact CG-CE1 4.06Å; F164-F187 AromaticContact CG-CZ 3.87Å; F164-F187 HydrophobicContact CG-CZ 3.87Å; F164-F187 HydrophobicContact CZ-CZ 4.25Å
165V96.8Very high97.3Very high22 Ų2268.9 Ų68.913%0.13336%0.358CS..Hα-helixtrans-60.8-41.8174.2168.50000111.1R161 E162 A167 L168 Q169 F179 F187R161-V165 WeakPolarHBondContact O-CB 3.39Å; R161-V165 VanDerWaalsContact O-CG2 3.31Å; R161-V165 WeakPolarHBondContact O-CG2 3.36Å; R161-V165 PolarHBondContact O-N 3.01Å; E162-V165 PolarHBondContact O-N 2.95Å; V165-A167 PolarHBondContact O-N 3.48Å; V165-L168 PolarHBondContact O-N 2.97Å; V165-Q169 HydrophobicContact CG1-CG 4.24Å; V165-Q169 WeakPolarHBondContact O-CB 3.5Å; V165-Q169 VanDerWaalsContact O-CG 3.29Å; V165-Q169 WeakPolarHBondContact O-CG 3.26Å; V165-Q169 PolarHBondContact O-N 2.75Å; V165-F179 HydrophobicContact CG1-CB 3.62Å; V165-F179 HydrophobicContact CG1-CG 4.11Å; V165-F179 HydrophobicContact CG2-CB 4.37Å; V165-F187 HydrophobicContact CG2-CB 4.19Å; V165-F187 HydrophobicContact CG2-CD1 3.97Å; V165-F187 HydrophobicContact CG2-CD2 3.69Å; V165-F187 HydrophobicContact CG2-CE1 4.24Å; V165-F187 HydrophobicContact CG2-CE2 3.98Å; V165-F187 HydrophobicContact CG2-CG 3.68Å; V165-F187 HydrophobicContact CG2-CZ 4.24Å
166A97.3Very high97.2Very high48 Ų4870.3 Ų70.340%0.39737%0.373SS..Hα-helixtrans-60.7-44176.500000112.3E162 K163 F164 L168 Q169 E170E162-A166 WeakPolarHBondContact O-CB 3.41Å; E162-A166 PolarHBondContact O-N 2.98Å; K163-A166 PolarHBondContact O-N 3.28Å; F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 PolarHBondContact O-N 3.47Å; A166-L168 VanDerWaalsContact C-N 3.35Å; A166-L168 PolarHBondContact O-N 2.8Å; A166-Q169 PolarHBondContact O-N 3.02Å; A166-E170 PolarHBondContact O-N 2.94Å
167A98.3Very high97.2Very high23 Ų2363.8 Ų63.819%0.1935%0.345CS..Hα-helixtrans-63.7-39.2176.100000112.4F109 Y113 K163 F164 V165 E170 E171F109-A167 HydrophobicContact CZ-CB 4.22Å; Y113-A167 HydrophobicContact CD2-CB 4.31Å; Y113-A167 HydrophobicContact CE2-CB 3.66Å; K163-A167 PolarHBondContact O-N 3.27Å; F164-A167 PolarHBondContact O-N 2.85Å; V165-A167 PolarHBondContact O-N 3.48Å; A167-E170 PolarHBondContact O-N 2.84Å; A167-E171 WeakPolarHBondContact O-CB 3.38Å; A167-E171 PolarHBondContact O-N 3.17Å
168L98.1Very high97Very high0 Ų061.4 Ų61.40%034%0.336CS..Hα-helixtrans-65.4-40.7174-77.9164.9000112.3L106 F109 F164 V165 A166 E170 F172 F179 F187L106-L168 HydrophobicContact CD1-CD2 3.7Å; F109-L168 HydrophobicContact CD1-CD2 3.41Å; F109-L168 VanDerWaalsContact CD1-CD2 3.41Å; F109-L168 HydrophobicContact CD1-CG 4.15Å; F109-L168 HydrophobicContact CE1-CD2 3.67Å; F109-L168 HydrophobicContact CE1-CG 3.93Å; F109-L168 HydrophobicContact CG-CD2 4.39Å; F164-L168 HydrophobicContact CD2-CD1 3.86Å; F164-L168 HydrophobicContact CD2-CG 4.06Å; F164-L168 HydrophobicContact CE2-CD1 3.8Å; F164-L168 HydrophobicContact CE2-CD2 4.48Å; F164-L168 HydrophobicContact CE2-CG 4Å; F164-L168 WeakPolarHBondContact O-CG 3.48Å; F164-L168 PolarHBondContact O-N 3.25Å; V165-L168 PolarHBondContact O-N 2.97Å; A166-L168 VanDerWaalsContact C-N 3.35Å; A166-L168 PolarHBondContact O-N 2.8Å; L168-E170 VanDerWaalsContact C-N 3.31Å; L168-E170 PolarHBondContact O-N 2.88Å; L168-F172 HydrophobicContact CD2-CD2 3.96Å; L168-F172 HydrophobicContact CD2-CE2 3.82Å; L168-F172 WeakPolarHBondContact O-CB 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.34Å; L168-F172 PolarHBondContact O-N 3.16Å; L168-F179 HydrophobicContact CB-CD1 4.14Å; L168-F179 HydrophobicContact CB-CE1 3.5Å; L168-F179 VanDerWaalsContact CB-CE1 3.5Å; L168-F179 HydrophobicContact CB-CZ 3.72Å; L168-F179 HydrophobicContact CD1-CD1 4.14Å; L168-F179 HydrophobicContact CD1-CE1 3.86Å; L168-F179 HydrophobicContact CD2-CE1 4.36Å; L168-F179 HydrophobicContact CG-CE1 4.12Å; L168-F187 HydrophobicContact CD1-CE2 3.51Å; L168-F187 HydrophobicContact CD1-CZ 3.72Å
169Q97Very high96.7Very high102 Ų10259 Ų5948%0.47732%0.324SS..Hα-helixtrans-64-37.6177.3-76173.5-24.400112V165 A166 A173 F179V165-Q169 HydrophobicContact CG1-CG 4.24Å; V165-Q169 WeakPolarHBondContact O-CB 3.5Å; V165-Q169 VanDerWaalsContact O-CG 3.29Å; V165-Q169 WeakPolarHBondContact O-CG 3.26Å; V165-Q169 PolarHBondContact O-N 2.75Å; A166-Q169 PolarHBondContact O-N 3.02Å; Q169-A173 WeakPolarHBondContact O-CA 3.49Å; Q169-A173 WeakPolarHBondContact O-CB 3.33Å; Q169-A173 PolarHBondContact O-N 3.34Å; Q169-F179 HydrophobicContact CG-CD2 3.51Å; Q169-F179 HydrophobicContact CG-CE2 3.75Å; Q169-F179 HydrophobicContact CG-CG 4.34Å
170E98.1Very high96Very high161 Ų16157.2 Ų57.275%0.75232%0.321SS*.Hα-helixtrans-68.5-51.7175.1-174.4175.4-177.400111.5A166 A167 L168 F172 A173A166-E170 PolarHBondContact O-N 2.94Å; A167-E170 PolarHBondContact O-N 2.84Å; L168-E170 VanDerWaalsContact C-N 3.31Å; L168-E170 PolarHBondContact O-N 2.88Å; E170-F172 PolarHBondContact O-N 2.98Å; E170-A173 WeakPolarHBondContact O-CB 3.27Å; E170-A173 PolarHBondContact O-N 2.83Å
171E98.1Very high95.2Very high104 Ų10463.1 Ų63.149%0.48634%0.343SS..Hα-helixtrans-62.7-40.5-177.9-179.465.9-154.200112.8F109 A167F109-E171 HydrophobicContact CD2-CB 4.3Å; F109-E171 HydrophobicContact CD2-CG 3.66Å; F109-E171 HydrophobicContact CE2-CB 3.81Å; F109-E171 HydrophobicContact CE2-CG 3.6Å; F109-E171 HydrophobicContact CG-CG 4.41Å; F109-E171 HydrophobicContact CZ-CB 4.07Å; F109-E171 HydrophobicContact CZ-CG 4.33Å; A167-E171 WeakPolarHBondContact O-CB 3.38Å; A167-E171 PolarHBondContact O-N 3.17Å
172F97.7Very high94Very high8 Ų863.5 Ų63.54%0.03535%0.348CS..THydrogen-bonded Turntrans-103.621.5-176.1-62.1-90.6000112.6L102 D105 L106 F109 L168 E170 G174 K175 L177L102-F172 HydrophobicContact CD1-CD1 3.71Å; L102-F172 HydrophobicContact CD1-CE1 3.92Å; D105-F172 HydrophobicContact CB-CE1 3.96Å; D105-F172 HydrophobicContact CB-CZ 4.33Å; L106-F172 VanDerWaalsContact CA-CZ 3.46Å; L106-F172 HydrophobicContact CB-CE1 4.14Å; L106-F172 HydrophobicContact CB-CZ 4.16Å; L106-F172 HydrophobicContact CD1-CD2 4.42Å; L106-F172 HydrophobicContact CD1-CE2 4.16Å; L106-F172 HydrophobicContact CD1-CZ 4.35Å; F109-F172 HydrophobicContact CB-CE2 3.93Å; F109-F172 HydrophobicContact CB-CZ 3.96Å; F109-F172 HydrophobicContact CD1-CE2 4.18Å; F109-F172 HydrophobicContact CD2-CE2 4.33Å; F109-F172 AromaticContact CG-CE2 3.89Å; F109-F172 HydrophobicContact CG-CE2 3.89Å; F109-F172 HydrophobicContact CG-CZ 4.38Å; L168-F172 HydrophobicContact CD2-CD2 3.96Å; L168-F172 HydrophobicContact CD2-CE2 3.82Å; L168-F172 WeakPolarHBondContact O-CB 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.34Å; L168-F172 PolarHBondContact O-N 3.16Å; E170-F172 PolarHBondContact O-N 2.98Å; F172-G174 PolarHBondContact O-N 2.79Å; F172-K175 HydrophobicContact CB-CB 4.49Å; F172-K175 HydrophobicContact CB-CD 4.42Å; F172-K175 HydrophobicContact CD1-CD 3.88Å; F172-K175 WeakPolarHBondContact O-CB 3.44Å; F172-K175 PolarHBondContact O-N 2.84Å; F172-L177 HydrophobicContact CB-CD1 3.98Å; F172-L177 HydrophobicContact CD1-CD1 4Å; F172-L177 HydrophobicContact CG-CD1 4.05Å
173A97.4Very high93.2Very high71 Ų7161.5 Ų61.559%0.58735%0.354SS*.THydrogen-bonded Turntrans-54.1130177.700000111.3Q169 E170 K175Q169-A173 WeakPolarHBondContact O-CA 3.49Å; Q169-A173 WeakPolarHBondContact O-CB 3.33Å; Q169-A173 PolarHBondContact O-N 3.34Å; E170-A173 WeakPolarHBondContact O-CB 3.27Å; E170-A173 PolarHBondContact O-N 2.83Å; A173-K175 PolarHBondContact O-N 3.46Å
174G96.5Very high92.7Very high91 Ų9159.9 Ų59.994%0.93835%0.35SS*.THydrogen-bonded Turntrans75.9-0.5-179.800000115.6F172 G176F172-G174 PolarHBondContact O-N 2.79Å; G174-G176 VanDerWaalsContact C-N 3.3Å; G174-G176 PolarHBondContact O-N 3.24Å
175K96.5Very high92.5Very high87 Ų8760 Ų6038%0.37835%0.351SS..SBendtrans-89.713.7179-56.6-169.3-178.6174.80114.2L102 F172 A173 L177L102-K175 HydrophobicContact CD1-CB 4.24Å; L102-K175 HydrophobicContact CD1-CD 3.52Å; L102-K175 HydrophobicContact CD2-CB 4.11Å; F172-K175 HydrophobicContact CB-CB 4.49Å; F172-K175 HydrophobicContact CB-CD 4.42Å; F172-K175 HydrophobicContact CD1-CD 3.88Å; F172-K175 WeakPolarHBondContact O-CB 3.44Å; F172-K175 PolarHBondContact O-N 2.84Å; A173-K175 PolarHBondContact O-N 3.46Å; K175-L177 PolarHBondContact O-N 3.46Å
176G95.5Very high92.4Very high31 Ų3159.3 Ų59.332%0.3235%0.347SS..  trans66.733.6174.600000114.6G174 P191 E192G174-G176 VanDerWaalsContact C-N 3.3Å; G174-G176 PolarHBondContact O-N 3.24Å; G176-P191 CarbonylContact O-C 3.58Å; G176-P191 WeakPolarHBondContact O-CA 3.11Å; G176-E192 PolarHBondContact O-N 3.14Å
177L95.7Very high92.2Very high12 Ų1257 Ų576%0.06333%0.328CS..EExtended strand (participates in β ladder)trans-105.4143.9175.2-62.6-179.9000111.4I98 L106 F172 K175 F179 V189I98-L177 HydrophobicContact CD1-CD2 4.28Å; I98-L177 HydrophobicContact CG2-CD2 4.27Å; L106-L177 HydrophobicContact CD1-CD1 4.36Å; L106-L177 HydrophobicContact CD2-CD1 4.13Å; F172-L177 HydrophobicContact CB-CD1 3.98Å; F172-L177 HydrophobicContact CD1-CD1 4Å; F172-L177 HydrophobicContact CG-CD1 4.05Å; K175-L177 PolarHBondContact O-N 3.46Å; L177-F179 HydrophobicContact CB-CE2 4.12Å; L177-F179 HydrophobicContact CB-CZ 4Å; L177-V189 HydrophobicContact CB-CG1 4.49Å; L177-V189 HydrophobicContact CD1-CG1 4.41Å
178R92.8Very high91.9Very high117 Ų11757.2 Ų57.244%0.44233%0.326SS..EExtended strand (participates in β ladder)trans-119.9151.5174.4-64.2-63.6-178.9-156.33.9110.1V189 F190 E192R178-V189 WeakPolarHBondContact O-CA 3.27Å; R178-F190 HydrophobicContact CB-CD2 3.99Å; R178-F190 HydrophobicContact CB-CE2 3.61Å; R178-F190 HydrophobicContact CB-CZ 3.92Å; R178-F190 HydrophobicContact CG-CE2 4.38Å; R178-F190 PolarHBondContact N-O 2.81Å; R178-F190 PolarHBondContact O-N 2.8Å; R178-F190 VanDerWaalsContact O-N 3.08Å; R178-E192 HydrophobicContact CG-CB 4.04Å; R178-E192 HydrophobicContact CG-CG 4.33Å; R178-E192 IonicContact CZ-OE1 3.61Å; R178-E192 IonicContact CZ-OE2 2.73Å; R178-E192 IonicContact NE-OE1 3.32Å; R178-E192 IonicContact NE-OE2 2.88Å; R178-E192 IonicContact NH2-OE1 3.17Å; R178-E192 PolarHBondContact NH2-OE1 3.33Å; R178-E192 IonicContact NH2-OE2 2.73Å; R178-E192 PolarHBondContact NH2-OE2 2.82Å
179F90.9Very high91.7Very high30 Ų3057.2 Ų57.213%0.13233%0.326CS..EExtended strand (participates in β ladder)trans-133.2122.3-173.9-54.5-90.4000108.8V165 L168 Q169 L177 D188 V189V165-F179 HydrophobicContact CG1-CB 3.62Å; V165-F179 HydrophobicContact CG1-CG 4.11Å; V165-F179 HydrophobicContact CG2-CB 4.37Å; L168-F179 HydrophobicContact CB-CD1 4.14Å; L168-F179 HydrophobicContact CB-CE1 3.5Å; L168-F179 VanDerWaalsContact CB-CE1 3.5Å; L168-F179 HydrophobicContact CB-CZ 3.72Å; L168-F179 HydrophobicContact CD1-CD1 4.14Å; L168-F179 HydrophobicContact CD1-CE1 3.86Å; L168-F179 HydrophobicContact CD2-CE1 4.36Å; L168-F179 HydrophobicContact CG-CE1 4.12Å; Q169-F179 HydrophobicContact CG-CD2 3.51Å; Q169-F179 HydrophobicContact CG-CE2 3.75Å; Q169-F179 HydrophobicContact CG-CG 4.34Å; L177-F179 HydrophobicContact CB-CE2 4.12Å; L177-F179 HydrophobicContact CB-CZ 4Å; F179-D188 WeakPolarHBondContact CA-O 3.45Å; F179-V189 HydrophobicContact CD1-CB 4.27Å; F179-V189 HydrophobicContact CD1-CG1 3.9Å; F179-V189 HydrophobicContact CD1-CG2 3.7Å; F179-V189 HydrophobicContact CE1-CB 4.24Å; F179-V189 HydrophobicContact CE1-CG1 3.48Å; F179-V189 VanDerWaalsContact CE1-CG1 3.48Å; F179-V189 HydrophobicContact CE1-CG2 3.81Å; F179-V189 HydrophobicContact CZ-CG1 4.16Å
180T84Confident91.5Very high57 Ų5753 Ų5335%0.3531%0.306SS..EExtended strand (participates in β ladder)trans-126.7135.8179.3-580000110.3G182 F187 D188 F190T180-G182 PolarHBondContact O-N 2.7Å; T180-F187 CarbonylContact O-C 3.56Å; T180-F187 WeakPolarHBondContact O-CA 3.14Å; T180-F187 VanDerWaalsContact O-CB 3.25Å; T180-F187 WeakPolarHBondContact O-CB 3.48Å; T180-D188 PolarHBondContact N-O 2.83Å; T180-D188 PolarHBondContact O-N 2.99Å; T180-F190 WeakPolarHBondContact OG1-CE1 3.45Å; T180-F190 VanDerWaalsContact OG1-CZ 3.32Å; T180-F190 WeakPolarHBondContact OG1-CZ 3.25Å
181R80.4Confident91.4Very high140 Ų14045.5 Ų45.553%0.52827%0.271SS..EExtended strand (participates in β ladder)trans-70.4121.2178.9-163.5176.8-173.2176.24.5109.3D155 R161D155-R181 IonicContact OD2-CZ 3.39Å; D155-R181 IonicContact OD2-NH2 3.8Å; D155-R181 PolarHBondContact OD2-NH2 2.88Å; R161-R181 VanDerWaalsContact NH2-NE 3.14Å; R161-R181 VanDerWaalsContact NH2-NH2 3.18Å
182G71.4Confident91Very high13 Ų1345.5 Ų45.513%0.13427%0.271CS..EExtended strand (participates in β ladder)trans-109102.9-174.800000111.6T180 S186T180-G182 PolarHBondContact O-N 2.7Å; G182-S186 CarbonylContact C-O 3.54Å; G182-S186 PolarHBondContact N-O 3.39Å; G182-S186 CarbonylContact O-C 3.48Å; G182-S186 PolarHBondContact O-N 3.49Å; G182-S186 PolarHBondContact O-OG 3.07Å
183G79.2Confident90.6Very high55 Ų5546.4 Ų46.457%0.56728%0.282SS*.THydrogen-bonded Turntrans58-145.7175.600000114.5R161R161-G183 PolarHBondContact NH1-O 2.91Å
184L86.8Confident90.4Very high86 Ų8643.4 Ų43.445%0.4526%0.256SS..THydrogen-bonded Turntrans-82.9-28.6-173-63.3-178.1000114.7R161R161-L184 VanDerWaalsContact CZ-O 3.26Å; R161-L184 PolarHBondContact NH1-O 2.82Å; R161-L184 PolarHBondContact NH2-O 2.78Å
185I94.1Very high90.1Very high2 Ų239.8 Ų39.81%0.0122%0.215CC..THydrogen-bonded Turntrans-122.1-13.6-166.564.2169.2000115.5S137 P138 I139 R148 F151S137-I185 PolarHBondContact OG-O 3.06Å; P138-I185 WeakPolarHBondContact CD-O 3.46Å; I139-I185 HydrophobicContact CG2-CB 3.83Å; I139-I185 HydrophobicContact CG2-CD1 4.42Å; I139-I185 HydrophobicContact CG2-CG2 4Å; R148-I185 HydrophobicContact CB-CG2 3.8Å; R148-I185 HydrophobicContact CG-CD1 4.25Å; R148-I185 HydrophobicContact CG-CG2 3.69Å; F151-I185 HydrophobicContact CB-CG2 4.46Å; F151-I185 HydrophobicContact CD1-CB 4.02Å; F151-I185 HydrophobicContact CD1-CG2 3.85Å; F151-I185 HydrophobicContact CE1-CB 4.32Å; F151-I185 WeakPolarHBondContact CE1-O 3.48Å; F151-I185 HydrophobicContact CG-CG2 4.47Å
186S94.6Very high90Very high7 Ų735.8 Ų35.85%0.04920%0.198CC..EExtended strand (participates in β ladder)trans-131.4175-167.854.40000113.2N135 I136 R161 G182N135-S186 WeakPolarHBondContact ND2-CB 3.46Å; N135-S186 PolarHBondContact ND2-OG 3.46Å; N135-S186 VanDerWaalsContact OD1-CB 3.25Å; N135-S186 WeakPolarHBondContact OD1-CB 3.16Å; I136-S186 CarbonylContact O-C 3.38Å; I136-S186 WeakPolarHBondContact O-CA 3.45Å; I136-S186 WeakPolarHBondContact O-CB 3.4Å; R161-S186 WeakPolarHBondContact CD-O 3.38Å; R161-S186 PolarHBondContact NH1-O 2.73Å; G182-S186 CarbonylContact C-O 3.54Å; G182-S186 PolarHBondContact N-O 3.39Å; G182-S186 CarbonylContact O-C 3.48Å; G182-S186 PolarHBondContact O-N 3.49Å; G182-S186 PolarHBondContact O-OG 3.07Å
187F93.2Very high90Very high1 Ų138.1 Ų38.10%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-140.8154.4161.158.6-91.4000108.6I136 R161 F164 V165 L168 T180 V189I136-F187 HydrophobicContact CB-CD2 4.15Å; I136-F187 HydrophobicContact CB-CE1 4.07Å; I136-F187 HydrophobicContact CB-CE2 3.65Å; I136-F187 HydrophobicContact CB-CZ 3.61Å; I136-F187 HydrophobicContact CG1-CD2 4.36Å; I136-F187 HydrophobicContact CG1-CE2 3.79Å; I136-F187 HydrophobicContact CG1-CZ 4.17Å; I136-F187 HydrophobicContact CG2-CE1 4.07Å; I136-F187 HydrophobicContact CG2-CE2 4.14Å; I136-F187 HydrophobicContact CG2-CZ 3.62Å; I136-F187 PolarHBondContact N-O 3.27Å; I136-F187 PolarHBondContact O-N 2.73Å; R161-F187 HydrophobicContact CB-CD1 4.13Å; R161-F187 HydrophobicContact CG-CD1 4.07Å; F164-F187 HydrophobicContact CB-CE1 4.3Å; F164-F187 HydrophobicContact CB-CZ 4.42Å; F164-F187 AromaticContact CD1-CE1 3.62Å; F164-F187 HydrophobicContact CD1-CE1 3.62Å; F164-F187 AromaticContact CD1-CZ 3.63Å; F164-F187 HydrophobicContact CD1-CZ 3.63Å; F164-F187 HydrophobicContact CD2-CZ 4.31Å; F164-F187 HydrophobicContact CE1-CE1 4.11Å; F164-F187 AromaticContact CE1-CZ 3.82Å; F164-F187 HydrophobicContact CE1-CZ 3.82Å; F164-F187 HydrophobicContact CE2-CZ 4.48Å; F164-F187 HydrophobicContact CG-CE1 4.06Å; F164-F187 AromaticContact CG-CZ 3.87Å; F164-F187 HydrophobicContact CG-CZ 3.87Å; F164-F187 HydrophobicContact CZ-CZ 4.25Å; V165-F187 HydrophobicContact CG2-CB 4.19Å; V165-F187 HydrophobicContact CG2-CD1 3.97Å; V165-F187 HydrophobicContact CG2-CD2 3.69Å; V165-F187 HydrophobicContact CG2-CE1 4.24Å; V165-F187 HydrophobicContact CG2-CE2 3.98Å; V165-F187 HydrophobicContact CG2-CG 3.68Å; V165-F187 HydrophobicContact CG2-CZ 4.24Å; L168-F187 HydrophobicContact CD1-CE2 3.51Å; L168-F187 HydrophobicContact CD1-CZ 3.72Å; T180-F187 CarbonylContact O-C 3.56Å; T180-F187 WeakPolarHBondContact O-CA 3.14Å; T180-F187 VanDerWaalsContact O-CB 3.25Å; T180-F187 WeakPolarHBondContact O-CB 3.48Å; F187-V189 HydrophobicContact CD2-CG2 4.1Å; F187-V189 HydrophobicContact CE2-CG2 3.95Å
188D91.6Very high89.9Confident26 Ų2638 Ų3814%0.13920%0.197CC..EExtended strand (participates in β ladder)trans-103.1139.6-179.7-63.1-52.7000109.7M133 L134 N135 F179 T180 F190M133-D188 HydrophobicContact SD-CB 3.89Å; L134-D188 CarbonylContact O-C 3.52Å; L134-D188 WeakPolarHBondContact O-CA 3.3Å; N135-D188 VanDerWaalsContact CB-OD1 3.3Å; N135-D188 WeakPolarHBondContact CB-OD1 3.37Å; N135-D188 PolarHBondContact ND2-OD1 2.84Å; F179-D188 WeakPolarHBondContact CA-O 3.45Å; T180-D188 PolarHBondContact N-O 2.83Å; T180-D188 PolarHBondContact O-N 2.99Å; D188-F190 HydrophobicContact CB-CD1 4.26Å; D188-F190 HydrophobicContact CB-CE1 4.49Å
189V94.4Very high89.9Confident0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-116.4125173-168.20000108.5L106 M133 L134 I136 L177 R178 F179 F187L106-V189 HydrophobicContact CD1-CG1 4.21Å; L106-V189 HydrophobicContact CD2-CB 4.3Å; L106-V189 HydrophobicContact CD2-CG1 3.69Å; M133-V189 CarbonylContact C-O 3.23Å; M133-V189 VanDerWaalsContact CA-O 3.27Å; M133-V189 WeakPolarHBondContact CA-O 3.42Å; M133-V189 WeakPolarHBondContact CB-O 3.46Å; L134-V189 HydrophobicContact CB-CB 4.49Å; L134-V189 PolarHBondContact N-O 3.22Å; L134-V189 PolarHBondContact O-N 3.33Å; I136-V189 HydrophobicContact CG1-CG2 3.88Å; L177-V189 HydrophobicContact CB-CG1 4.49Å; L177-V189 HydrophobicContact CD1-CG1 4.41Å; R178-V189 WeakPolarHBondContact O-CA 3.27Å; F179-V189 HydrophobicContact CD1-CB 4.27Å; F179-V189 HydrophobicContact CD1-CG1 3.9Å; F179-V189 HydrophobicContact CD1-CG2 3.7Å; F179-V189 HydrophobicContact CE1-CB 4.24Å; F179-V189 HydrophobicContact CE1-CG1 3.48Å; F179-V189 VanDerWaalsContact CE1-CG1 3.48Å; F179-V189 HydrophobicContact CE1-CG2 3.81Å; F179-V189 HydrophobicContact CZ-CG1 4.16Å; F187-V189 HydrophobicContact CD2-CG2 4.1Å; F187-V189 HydrophobicContact CE2-CG2 3.95Å
190F93Very high90.2Very high13 Ų1331.1 Ų31.16%0.05717%0.169CC..EExtended strand (participates in β ladder)trans-147.6160.1-176.952.1-87.1000111.1M133 R178 T180 D188 W194 D195M133-F190 HydrophobicContact CB-CB 3.99Å; R178-F190 HydrophobicContact CB-CD2 3.99Å; R178-F190 HydrophobicContact CB-CE2 3.61Å; R178-F190 HydrophobicContact CB-CZ 3.92Å; R178-F190 HydrophobicContact CG-CE2 4.38Å; R178-F190 PolarHBondContact N-O 2.81Å; R178-F190 PolarHBondContact O-N 2.8Å; R178-F190 VanDerWaalsContact O-N 3.08Å; T180-F190 WeakPolarHBondContact OG1-CE1 3.45Å; T180-F190 VanDerWaalsContact OG1-CZ 3.32Å; T180-F190 WeakPolarHBondContact OG1-CZ 3.25Å; D188-F190 HydrophobicContact CB-CD1 4.26Å; D188-F190 HydrophobicContact CB-CE1 4.49Å; F190-W194 HydrophobicContact CB-CB 4.38Å; F190-W194 HydrophobicContact CD2-CB 4.1Å; F190-D195 HydrophobicContact CE2-CB 4.44Å
191P94.7Very high90.4Very high4 Ų432.9 Ų32.93%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-61.4148.4174.9-20.333.8000111.5I94 Q97 I98 G176 G193 W194I94-P191 HydrophobicContact CD1-CG 4.36Å; I94-P191 HydrophobicContact CG1-CG 4.01Å; Q97-P191 HydrophobicContact CB-CG 4.34Å; Q97-P191 HydrophobicContact CG-CB 3.99Å; Q97-P191 HydrophobicContact CG-CG 3.91Å; I98-P191 HydrophobicContact CG2-CB 4.09Å; I98-P191 HydrophobicContact CG2-CG 3.69Å; G176-P191 CarbonylContact O-C 3.58Å; G176-P191 WeakPolarHBondContact O-CA 3.11Å; P191-G193 PolarHBondContact O-N 3.2Å; P191-W194 HydrophobicContact CB-CD2 4.02Å; P191-W194 HydrophobicContact CB-CG 3.91Å; P191-W194 HydrophobicContact CG-CD2 3.62Å; P191-W194 HydrophobicContact CG-CE3 3.76Å; P191-W194 HydrophobicContact CG-CG 4.01Å; P191-W194 HydrophobicContact CG-CH2 4.47Å; P191-W194 HydrophobicContact CG-CZ2 4.38Å; P191-W194 HydrophobicContact CG-CZ3 4.15Å; P191-W194 WeakPolarHBondContact O-CB 3.5Å; P191-W194 PolarHBondContact O-N 2.69Å; P191-W194 VanDerWaalsContact O-N 3.08Å
192E91.1Very high90.8Very high105 Ų10527.6 Ų27.649%0.49116%0.16SC..THydrogen-bonded Turntrans-55.8134.9171.5-178.4166.9-166.800111.4G176 R178 W194G176-E192 PolarHBondContact O-N 3.14Å; R178-E192 HydrophobicContact CG-CB 4.04Å; R178-E192 HydrophobicContact CG-CG 4.33Å; R178-E192 IonicContact CZ-OE1 3.61Å; R178-E192 IonicContact CZ-OE2 2.73Å; R178-E192 IonicContact NE-OE1 3.32Å; R178-E192 IonicContact NE-OE2 2.88Å; R178-E192 IonicContact NH2-OE1 3.17Å; R178-E192 PolarHBondContact NH2-OE1 3.33Å; R178-E192 IonicContact NH2-OE2 2.73Å; R178-E192 PolarHBondContact NH2-OE2 2.82Å; E192-W194 VanDerWaalsContact C-N 3.32Å
193G88.8Confident91.8Very high26 Ų2627 Ų2727%0.26815%0.154SC..THydrogen-bonded Turntrans84.9-5.1-175.500000115P191 D195P191-G193 PolarHBondContact O-N 3.2Å; G193-D195 PolarHBondContact O-N 3.38Å
194W92.5Very high92.1Very high9 Ų931.2 Ų31.23%0.03416%0.159CC..  trans-87.719.3175.3-71.328000113.7N78 T80 Q92 I94 Q97 F190 P191 E192 L198N78-W194 WeakPolarHBondContact CB-O 3.29Å; N78-W194 PolarHBondContact ND2-O 3.25Å; T80-W194 HydrophobicContact CG2-CD2 4.01Å; T80-W194 HydrophobicContact CG2-CE3 3.49Å; T80-W194 VanDerWaalsContact CG2-CE3 3.49Å; T80-W194 HydrophobicContact CG2-CH2 4.4Å; T80-W194 HydrophobicContact CG2-CZ3 3.76Å; Q92-W194 HydrophobicContact CB-CH2 3.99Å; Q92-W194 HydrophobicContact CB-CZ2 4.21Å; I94-W194 HydrophobicContact CB-CZ3 4.07Å; Q97-W194 HydrophobicContact CB-CH2 3.7Å; Q97-W194 HydrophobicContact CB-CZ2 3.41Å; Q97-W194 VanDerWaalsContact CB-CZ2 3.41Å; Q97-W194 HydrophobicContact CG-CH2 4.23Å; Q97-W194 HydrophobicContact CG-CZ2 3.48Å; Q97-W194 VanDerWaalsContact CG-CZ2 3.48Å; F190-W194 HydrophobicContact CB-CB 4.38Å; F190-W194 HydrophobicContact CD2-CB 4.1Å; P191-W194 HydrophobicContact CB-CD2 4.02Å; P191-W194 HydrophobicContact CB-CG 3.91Å; P191-W194 HydrophobicContact CG-CD2 3.62Å; P191-W194 HydrophobicContact CG-CE3 3.76Å; P191-W194 HydrophobicContact CG-CG 4.01Å; P191-W194 HydrophobicContact CG-CH2 4.47Å; P191-W194 HydrophobicContact CG-CZ2 4.38Å; P191-W194 HydrophobicContact CG-CZ3 4.15Å; P191-W194 WeakPolarHBondContact O-CB 3.5Å; P191-W194 PolarHBondContact O-N 2.69Å; P191-W194 VanDerWaalsContact O-N 3.08Å; E192-W194 VanDerWaalsContact C-N 3.32Å; W194-L198 HydrophobicContact CB-CD2 4.48Å; W194-L198 HydrophobicContact CD2-CD2 4.27Å; W194-L198 HydrophobicContact CG-CD2 4.12Å
195D91.5Very high91.9Very high14 Ų1430.6 Ų30.68%0.07517%0.173CC..SBendtrans-70.2-174.8157.358.968.7000110.5F190 G193 R197 L198F190-D195 HydrophobicContact CE2-CB 4.44Å; G193-D195 PolarHBondContact O-N 3.38Å; D195-R197 PolarHBondContact O-N 2.99Å; D195-R197 WeakPolarHBondContact OD1-CB 3.29Å; D195-R197 WeakPolarHBondContact OD1-CG 3.25Å; D195-R197 IonicContact OD1-CZ 3.96Å; D195-R197 PolarHBondContact OD1-N 3.12Å; D195-R197 IonicContact OD1-NE 3.73Å; D195-R197 PolarHBondContact OD1-NE 3.33Å; D195-R197 IonicContact OD1-NH2 3.83Å; D195-R197 IonicContact OD2-CZ 2.89Å; D195-R197 IonicContact OD2-NE 3.4Å; D195-R197 PolarHBondContact OD2-NE 3.16Å; D195-R197 IonicContact OD2-NH2 2.86Å; D195-R197 PolarHBondContact OD2-NH2 3.27Å; D195-L198 WeakPolarHBondContact O-CB 3.48Å; D195-L198 PolarHBondContact O-N 2.97Å
196K94.5Very high91.7Very high3 Ų332.5 Ų32.51%0.01318%0.182CC..G310 helixtrans-57.4-19.6-175.1-72.5-178164.8162.10113.7D17 V49 L198 C199 N223 D224 I227D17-K196 VanDerWaalsContact CG-NZ 3.31Å; D17-K196 IonicContact OD1-NZ 3.83Å; D17-K196 PolarHBondContact OD1-NZ 3.04Å; V49-K196 HydrophobicContact CG1-CD 4.22Å; V49-K196 HydrophobicContact CG2-CB 4.14Å; V49-K196 HydrophobicContact CG2-CD 4.39Å; V49-K196 HydrophobicContact CG2-CG 3.93Å; K196-L198 PolarHBondContact O-N 2.99Å; K196-C199 PolarHBondContact O-N 3.4Å; K196-C199 PolarHBondContact O-SG 3.35Å; K196-N223 PolarHBondContact NZ-OD1 2.96Å; K196-D224 WeakPolarHBondContact CD-OD1 2.84Å; K196-D224 IonicContact NZ-OD1 3.9Å; K196-D224 PolarHBondContact NZ-OD1 2.88Å; K196-I227 HydrophobicContact CB-CB 3.82Å; K196-I227 HydrophobicContact CB-CD1 4.01Å; K196-I227 HydrophobicContact CB-CG2 3.6Å; K196-I227 HydrophobicContact CD-CG2 4.06Å; K196-I227 HydrophobicContact CG-CG2 4.46Å
197R95.1Very high91.5Very high81 Ų8134.3 Ų34.331%0.30620%0.201SC..G310 helixtrans-61.4-22.2175.3-67176.5-65.5-175.7-5.6113.7D195 C199 L200 E226 I227 D230D195-R197 PolarHBondContact O-N 2.99Å; D195-R197 WeakPolarHBondContact OD1-CB 3.29Å; D195-R197 WeakPolarHBondContact OD1-CG 3.25Å; D195-R197 IonicContact OD1-CZ 3.96Å; D195-R197 PolarHBondContact OD1-N 3.12Å; D195-R197 IonicContact OD1-NE 3.73Å; D195-R197 PolarHBondContact OD1-NE 3.33Å; D195-R197 IonicContact OD1-NH2 3.83Å; D195-R197 IonicContact OD2-CZ 2.89Å; D195-R197 IonicContact OD2-NE 3.4Å; D195-R197 PolarHBondContact OD2-NE 3.16Å; D195-R197 IonicContact OD2-NH2 2.86Å; D195-R197 PolarHBondContact OD2-NH2 3.27Å; R197-C199 PolarHBondContact O-N 3.09Å; R197-C199 VanDerWaalsContact O-N 3.14Å; R197-L200 HydrophobicContact CB-CD1 4.37Å; R197-L200 HydrophobicContact CG-CD1 4.35Å; R197-L200 VanDerWaalsContact O-CB 3.25Å; R197-L200 WeakPolarHBondContact O-CB 3.22Å; R197-L200 PolarHBondContact O-N 3.45Å; R197-E226 WeakPolarHBondContact CD-O 3.35Å; R197-E226 HydrophobicContact CG-CB 4.13Å; R197-I227 HydrophobicContact CG-CB 4.27Å; R197-D230 WeakPolarHBondContact CD-OD2 3.36Å; R197-D230 HydrophobicContact CG-CB 4.23Å
198L93.3Very high91.6Very high10 Ų1035.8 Ų35.85%0.05221%0.209CC..G310 helixtrans-55.5-33.1178.2-178.266.6000112.5T80 W194 D195 K196 L200T80-L198 HydrophobicContact CG2-CD2 3.3Å; W194-L198 HydrophobicContact CB-CD2 4.48Å; W194-L198 HydrophobicContact CD2-CD2 4.27Å; W194-L198 HydrophobicContact CG-CD2 4.12Å; D195-L198 WeakPolarHBondContact O-CB 3.48Å; D195-L198 PolarHBondContact O-N 2.97Å; K196-L198 PolarHBondContact O-N 2.99Å; L198-L200 PolarHBondContact O-N 3.4Å
199C94Very high91.8Very high0 Ų040.5 Ų40.50%023%0.234CC..G310 helixtrans-68.4-24177.575.60000113.3V49 F75 K196 R197 D201 V202V49-C199 HydrophobicContact CG2-CB 4.39Å; F75-C199 HydrophobicContact CB-CB 4.02Å; F75-C199 HydrophobicContact CD1-CB 3.66Å; F75-C199 HydrophobicContact CD2-CB 3.67Å; F75-C199 HydrophobicContact CE1-CB 3.93Å; F75-C199 HydrophobicContact CE2-CB 3.93Å; F75-C199 HydrophobicContact CG-CB 3.51Å; F75-C199 HydrophobicContact CZ-CB 4.06Å; K196-C199 PolarHBondContact O-N 3.4Å; K196-C199 PolarHBondContact O-SG 3.35Å; R197-C199 PolarHBondContact O-N 3.09Å; R197-C199 VanDerWaalsContact O-N 3.14Å; C199-D201 VanDerWaalsContact C-N 3.31Å; C199-D201 PolarHBondContact O-N 3.27Å; C199-V202 PolarHBondContact O-N 3.08Å
200L95.2Very high91.9Very high1 Ų141.5 Ų41.51%0.00524%0.242CC..Hα-helixtrans-69.4-29.2-176.6-59.6179.9000112.4L15 R197 L198 V202 L203 E204 I211 I227 D230 R232 T233L15-L200 HydrophobicContact CD2-CD2 4.37Å; R197-L200 HydrophobicContact CB-CD1 4.37Å; R197-L200 HydrophobicContact CG-CD1 4.35Å; R197-L200 VanDerWaalsContact O-CB 3.25Å; R197-L200 WeakPolarHBondContact O-CB 3.22Å; R197-L200 PolarHBondContact O-N 3.45Å; L198-L200 PolarHBondContact O-N 3.4Å; L200-V202 PolarHBondContact O-N 3.46Å; L200-L203 HydrophobicContact CD2-CD1 4.11Å; L200-L203 PolarHBondContact O-N 3.17Å; L200-E204 PolarHBondContact O-N 3.25Å; L200-I211 HydrophobicContact CD2-CD1 4.4Å; L200-I227 HydrophobicContact CD1-CG1 4.2Å; L200-I227 HydrophobicContact CD2-CD1 4.15Å; L200-I227 HydrophobicContact CD2-CG1 4.39Å; L200-I227 HydrophobicContact CG-CD1 4.37Å; L200-I227 HydrophobicContact CG-CG1 4.44Å; L200-D230 HydrophobicContact CD1-CB 3.75Å; L200-R232 VanDerWaalsContact CB-CZ 3.46Å; L200-R232 HydrophobicContact CD1-CB 4.4Å; L200-T233 HydrophobicContact CD1-CG2 3.95Å; L200-T233 HydrophobicContact CD2-CG2 3.82Å
201D90Very high92.2Very high95 Ų9541.6 Ų41.651%0.50824%0.243SC..Hα-helixtrans-62.7-30.5179.4-62.4-11000111.8C199 R232C199-D201 VanDerWaalsContact C-N 3.31Å; C199-D201 PolarHBondContact O-N 3.27Å; D201-R232 IonicContact OD1-CZ 3.74Å; D201-R232 IonicContact OD1-NH1 3.84Å; D201-R232 PolarHBondContact OD1-NH1 2.95Å; D201-R232 IonicContact OD1-NH2 2.79Å
202V87Confident92.4Very high28 Ų2843.5 Ų43.517%0.1725%0.25CS..Hα-helixtrans-73.8-36174.1-176.90000111.1F75 L89 C199 L200F75-V202 HydrophobicContact CE1-CB 4.47Å; L89-V202 HydrophobicContact CD2-CG1 3.47Å; L89-V202 VanDerWaalsContact CD2-CG1 3.47Å; C199-V202 PolarHBondContact O-N 3.08Å; L200-V202 PolarHBondContact O-N 3.46Å
203L92.4Very high92.7Very high2 Ų238.5 Ų38.51%0.0123%0.227CC..Hα-helixtrans-76.9-24.5-174.1-63.6174.9000112.3L13 L15 Y73 F75 L200 G205 E206 L208 I211L13-L203 HydrophobicContact CD2-CD1 3.58Å; L13-L203 HydrophobicContact CD2-CD2 3.63Å; L13-L203 HydrophobicContact CD2-CG 4.22Å; L15-L203 HydrophobicContact CD2-CD1 4.26Å; Y73-L203 HydrophobicContact CD1-CD2 4.02Å; Y73-L203 HydrophobicContact CD2-CD2 4.37Å; Y73-L203 HydrophobicContact CE1-CD2 3.88Å; Y73-L203 HydrophobicContact CE2-CD2 4.26Å; Y73-L203 HydrophobicContact CG-CD2 4.27Å; F75-L203 HydrophobicContact CE2-CD1 4.29Å; F75-L203 HydrophobicContact CE2-CD2 4.32Å; F75-L203 HydrophobicContact CE2-CG 4.47Å; F75-L203 HydrophobicContact CZ-CD1 4.47Å; F75-L203 HydrophobicContact CZ-CD2 4.01Å; F75-L203 HydrophobicContact CZ-CG 4.19Å; L200-L203 HydrophobicContact CD2-CD1 4.11Å; L200-L203 PolarHBondContact O-N 3.17Å; L203-G205 PolarHBondContact O-N 3.4Å; L203-E206 WeakPolarHBondContact O-CB 3.4Å; L203-E206 PolarHBondContact O-N 3.21Å; L203-E206 VanDerWaalsContact O-N 3.08Å; L203-L208 HydrophobicContact CB-CD1 4.32Å; L203-L208 HydrophobicContact CD2-CD1 4.19Å; L203-I211 HydrophobicContact CB-CD1 3.87Å; L203-I211 HydrophobicContact CD1-CD1 4.06Å
204E86.3Confident93.2Very high143 Ų14337.2 Ų37.267%0.66821%0.214SC*.G310 helixtrans-59.9-33.4178.3-166.8164.9-166.500112.5L200 E206 R232L200-E204 PolarHBondContact O-N 3.25Å; E204-E206 VanDerWaalsContact C-N 3.34Å; E204-E206 PolarHBondContact O-N 3.43Å; E204-R232 IonicContact OE2-NH1 3.12Å
205G83Confident93.5Very high72 Ų7236.8 Ų36.874%0.74221%0.213SC*.G310 helixtrans-81.4-4.417700000115.5L203L203-G205 PolarHBondContact O-N 3.4Å
206E89.3Confident93.7Very high43 Ų4338.4 Ų38.420%0.20122%0.221CC..G310 helixtrans-87.3-7.7-169.8-67.9-70.5131.900114K45 Y73 K84 L203 E204 L208K45-E206 IonicContact NZ-OE2 3.57Å; Y73-E206 HydrophobicContact CE1-CG 4.31Å; Y73-E206 VanDerWaalsContact OH-CD 3.32Å; Y73-E206 PolarHBondContact OH-OE2 3.4Å; K84-E206 WeakPolarHBondContact CE-OE2 3.4Å; K84-E206 IonicContact NZ-OE1 3.71Å; K84-E206 PolarHBondContact NZ-OE1 2.99Å; K84-E206 IonicContact NZ-OE2 3.86Å; K84-E206 PolarHBondContact NZ-OE2 3.47Å; L203-E206 WeakPolarHBondContact O-CB 3.4Å; L203-E206 PolarHBondContact O-N 3.21Å; L203-E206 VanDerWaalsContact O-N 3.08Å; E204-E206 VanDerWaalsContact C-N 3.34Å; E204-E206 PolarHBondContact O-N 3.43Å; E206-L208 HydrophobicContact CB-CD1 4.22Å; E206-L208 HydrophobicContact CB-CG 3.98Å
207G90.7Very high93.7Very high44 Ų4442.6 Ų42.645%0.45424%0.241SC..  trans62.144.6-177.200000112.2
208L95.2Very high93.7Very high32 Ų3239.2 Ų39.217%0.16823%0.229CC..  trans-84138.7173-62.6170.4000109.7T11 L13 K45 L203 E206 I211T11-L208 CarbonylContact O-C 3.56Å; T11-L208 WeakPolarHBondContact O-CA 3.43Å; T11-L208 WeakPolarHBondContact O-CB 3.37Å; T11-L208 WeakPolarHBondContact O-CD2 3.49Å; L13-L208 HydrophobicContact CB-CD1 3.8Å; L13-L208 HydrophobicContact CB-CD2 4.27Å; L13-L208 HydrophobicContact CD2-CD1 3.88Å; K45-L208 HydrophobicContact CD-CD2 4.13Å; L203-L208 HydrophobicContact CB-CD1 4.32Å; L203-L208 HydrophobicContact CD2-CD1 4.19Å; E206-L208 HydrophobicContact CB-CD1 4.22Å; E206-L208 HydrophobicContact CB-CG 3.98Å; L208-I211 HydrophobicContact CD1-CD1 4.37Å; L208-I211 HydrophobicContact CD1-CG1 4.05Å
209D95.7Very high93.7Very high125 Ų12543 Ų4367%0.66826%0.257SS*.SBendtrans-79.8-30.6176.8-62.4-27000111.3T11T11-D209 WeakPolarHBondContact CB-OD2 3.42Å; T11-D209 PolarHBondContact O-N 3.1Å; T11-D209 PolarHBondContact OG1-OD2 3.46Å
210A96.9Very high93.4Very high21 Ų2148.1 Ų48.117%0.17429%0.292CS..EExtended strand (participates in β ladder)trans-156.4144.2179.600000112.1L13 Y212 I234L13-A210 PolarHBondContact N-O 3.01Å; A210-Y212 HydrophobicContact CB-CD2 4.22Å; A210-Y212 HydrophobicContact CB-CE2 3.72Å; A210-I234 HydrophobicContact CB-CD1 4.17Å
211I98.4Very high92.6Very high15 Ų1551.4 Ų51.48%0.07733%0.327CS..EExtended strand (participates in β ladder)trans-116.7111.1171.9-56.6169.9000107.7L13 L15 L200 L203 L208 T233 I234L13-I211 HydrophobicContact CD2-CG2 4.33Å; L13-I211 WeakPolarHBondContact O-CA 3.48Å; L15-I211 HydrophobicContact CB-CG2 4.26Å; L200-I211 HydrophobicContact CD2-CD1 4.4Å; L203-I211 HydrophobicContact CB-CD1 3.87Å; L203-I211 HydrophobicContact CD1-CD1 4.06Å; L208-I211 HydrophobicContact CD1-CD1 4.37Å; L208-I211 HydrophobicContact CD1-CG1 4.05Å; I211-T233 HydrophobicContact CG2-CG2 4.29Å; I211-T233 CarbonylContact O-C 3.55Å; I211-T233 WeakPolarHBondContact O-CA 3.43Å; I211-I234 PolarHBondContact O-N 3.48Å
212Y98.6Very high92.4Very high44 Ų4447.5 Ų47.517%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-89.9118.5173.1-71-107.6000107.8I12 L13 C14 L15 A210 I234 F236 I251 F252I12-Y212 HydrophobicContact CG2-CD2 3.63Å; I12-Y212 HydrophobicContact CG2-CE2 3.7Å; L13-Y212 PolarHBondContact O-N 2.98Å; C14-Y212 CarbonylContact C-O 3.55Å; C14-Y212 WeakPolarHBondContact CA-O 3.25Å; L15-Y212 PolarHBondContact N-O 2.99Å; A210-Y212 HydrophobicContact CB-CD2 4.22Å; A210-Y212 HydrophobicContact CB-CE2 3.72Å; Y212-I234 WeakPolarHBondContact CA-O 3.33Å; Y212-I234 HydrophobicContact CD1-CB 4.37Å; Y212-I234 HydrophobicContact CD1-CG2 4.41Å; Y212-I234 HydrophobicContact CE1-CD1 4.2Å; Y212-I234 HydrophobicContact CE1-CG2 4.32Å; Y212-I234 HydrophobicContact CE2-CD1 4.06Å; Y212-F236 HydrophobicContact CD1-CD2 4.27Å; Y212-F236 AromaticContact CD1-CE2 3.47Å; Y212-F236 HydrophobicContact CD1-CE2 3.47Å; Y212-F236 VanDerWaalsContact CD1-CE2 3.47Å; Y212-F236 HydrophobicContact CD1-CZ 4.17Å; Y212-F236 AromaticContact CE1-CE2 3.99Å; Y212-F236 HydrophobicContact CE1-CE2 3.99Å; Y212-F236 HydrophobicContact CE1-CZ 4.31Å; Y212-I251 HydrophobicContact CD1-CD1 4.29Å; Y212-I251 HydrophobicContact CE1-CD1 4.4Å; Y212-I251 HydrophobicContact CE1-CG2 4Å; Y212-F252 HydrophobicContact CD1-CZ 4.1Å; Y212-F252 AromaticContact CD2-CZ 3.99Å; Y212-F252 HydrophobicContact CD2-CZ 3.99Å; Y212-F252 HydrophobicContact CE1-CZ 4.26Å; Y212-F252 HydrophobicContact CE2-CE1 4.41Å; Y212-F252 HydrophobicContact CE2-CZ 4.13Å; Y212-F252 HydrophobicContact CG-CZ 4.01Å
213F98.8Very high92.4Very high0 Ų049.3 Ų49.30%032%0.317CS..EExtended strand (participates in β ladder)trans-104132.3177.3176.4-99.5000110.3L15 D17 V49 D224 I227 F228 T233 I234 G235 F236L15-F213 HydrophobicContact CB-CD2 4.37Å; L15-F213 HydrophobicContact CD2-CD2 4.22Å; L15-F213 HydrophobicContact CG-CD2 4.16Å; L15-F213 CarbonylContact O-C 3.54Å; L15-F213 WeakPolarHBondContact O-CA 3.19Å; D17-F213 HydrophobicContact CB-CZ 4.4Å; V49-F213 HydrophobicContact CG1-CE2 3.89Å; F213-D224 HydrophobicContact CE1-CB 3.9Å; F213-D224 HydrophobicContact CZ-CB 4.02Å; F213-D224 WeakPolarHBondContact CZ-OD1 3.22Å; F213-I227 HydrophobicContact CD1-CG2 4.11Å; F213-I227 HydrophobicContact CD2-CD1 3.72Å; F213-I227 HydrophobicContact CD2-CG1 3.99Å; F213-I227 HydrophobicContact CD2-CG2 4.24Å; F213-I227 HydrophobicContact CE1-CG2 3.62Å; F213-I227 HydrophobicContact CE2-CD1 3.86Å; F213-I227 HydrophobicContact CE2-CG1 4.26Å; F213-I227 HydrophobicContact CE2-CG2 3.76Å; F213-I227 HydrophobicContact CG-CD1 4.37Å; F213-I227 HydrophobicContact CG-CG1 4.15Å; F213-I227 HydrophobicContact CG-CG2 4.4Å; F213-I227 HydrophobicContact CZ-CG2 3.43Å; F213-I227 VanDerWaalsContact CZ-CG2 3.43Å; F213-F228 HydrophobicContact CD1-CB 4.06Å; F213-F228 HydrophobicContact CD1-CD2 4.44Å; F213-F228 HydrophobicContact CE1-CB 4.14Å; F213-T233 HydrophobicContact CB-CG2 4.27Å; F213-I234 PolarHBondContact N-O 3.46Å; F213-G235 CarbonylContact O-C 3.48Å; F213-G235 WeakPolarHBondContact O-CA 3.31Å; F213-F236 PolarHBondContact O-N 3.4Å
214F98.8Very high92.5Very high0 Ų049.2 Ų49.20%032%0.317CS..EExtended strand (participates in β ladder)trans-119.9127.6176.7-58.9-94.9000109.3C14 L15 F16 D17 T21 F236 V238 T244 H247 I251C14-F214 HydrophobicContact CB-CE2 3.97Å; L15-F214 PolarHBondContact O-N 3Å; F16-F214 HydrophobicContact CD1-CB 3.72Å; F16-F214 AromaticContact CD1-CD2 3.59Å; F16-F214 HydrophobicContact CD1-CD2 3.59Å; F16-F214 HydrophobicContact CD1-CE2 4.47Å; F16-F214 AromaticContact CD1-CG 3.83Å; F16-F214 HydrophobicContact CD1-CG 3.83Å; F16-F214 HydrophobicContact CE1-CB 4.21Å; F16-F214 AromaticContact CE1-CD2 3.34Å; F16-F214 HydrophobicContact CE1-CD2 3.34Å; F16-F214 AromaticContact CE1-CE2 3.8Å; F16-F214 HydrophobicContact CE1-CE2 3.8Å; F16-F214 AromaticContact CE1-CG 3.79Å; F16-F214 HydrophobicContact CE1-CG 3.79Å; F16-F214 HydrophobicContact CZ-CD2 4.12Å; F16-F214 HydrophobicContact CZ-CE2 4.25Å; D17-F214 PolarHBondContact N-O 3.25Å; T21-F214 HydrophobicContact CG2-CB 4.18Å; T21-F214 WeakPolarHBondContact CG2-O 3.45Å; F214-F236 WeakPolarHBondContact CA-O 3.39Å; F214-F236 HydrophobicContact CD1-CB 3.51Å; F214-F236 HydrophobicContact CD1-CD2 4.4Å; F214-F236 HydrophobicContact CD1-CG 4.04Å; F214-F236 HydrophobicContact CE1-CB 3.74Å; F214-F236 HydrophobicContact CE1-CD1 4.33Å; F214-F236 AromaticContact CE1-CD2 3.91Å; F214-F236 HydrophobicContact CE1-CD2 3.91Å; F214-F236 AromaticContact CE1-CG 3.71Å; F214-F236 HydrophobicContact CE1-CG 3.71Å; F214-F236 HydrophobicContact CG-CB 4.3Å; F214-F236 HydrophobicContact CZ-CD2 4.15Å; F214-F236 HydrophobicContact CZ-CG 4.41Å; F214-V238 HydrophobicContact CB-CG1 4.5Å; F214-V238 HydrophobicContact CD1-CG1 4.12Å; F214-T244 HydrophobicContact CB-CG2 4.27Å; F214-T244 HydrophobicContact CD1-CG2 4.38Å; F214-T244 HydrophobicContact CG-CG2 4.35Å; F214-H247 HydrophobicContact CD1-CB 4.47Å; F214-H247 HydrophobicContact CE1-CB 3.88Å; F214-I251 HydrophobicContact CE1-CD1 4.45Å; F214-I251 HydrophobicContact CZ-CD1 4.25Å
215G98.3Very high92.9Very high0 Ų046.5 Ų46.50%030%0.301CS..EExtended strand (participates in β ladder)trans-156.3156.8179.100000112.9T218 D224 F236 T237 V238G215-T218 WeakPolarHBondContact O-CG2 3.42Å; G215-D224 WeakPolarHBondContact CA-OD2 3.33Å; G215-F236 PolarHBondContact N-O 2.89Å; G215-F236 VanDerWaalsContact N-O 3.12Å; G215-T237 WeakPolarHBondContact O-CA 3.49Å; G215-V238 PolarHBondContact O-N 2.94Å
216N97.1Very high93.5Very high48 Ų4846.1 Ų46.126%0.25728%0.28SS..SBendtrans-99.1-23.5-177.866.8-26.4000113.1D17 D19 T21 D224 V238D17-N216 PolarHBondContact OD2-OD1 2.97Å; D19-N216 PolarHBondContact O-ND2 2.93Å; D19-N216 PolarHBondContact O-OD1 3.19Å; T21-N216 PolarHBondContact OG1-N 3.46Å; N216-D224 PolarHBondContact N-OD2 3.45Å; N216-D224 VanDerWaalsContact N-OD2 3.08Å; N216-D224 PolarHBondContact OD1-OD2 3.19Å; N216-V238 VanDerWaalsContact CA-O 3.29Å; N216-V238 WeakPolarHBondContact CA-O 3.41Å; N216-V238 WeakPolarHBondContact CB-O 3.4Å
217E93.3Very high93.9Very high90 Ų9044.1 Ų44.142%0.42127%0.27SS..  trans-104.649.8-178.2-70.7-167.4-168.100112.4S219 G222 N223 D224 Y225E217-S219 PolarHBondContact O-N 3.21Å; E217-G222 CarbonylContact O-C 3.53Å; E217-G222 VanDerWaalsContact O-C 3.23Å; E217-G222 VanDerWaalsContact O-CA 3.26Å; E217-G222 WeakPolarHBondContact O-CA 3.49Å; E217-N223 VanDerWaalsContact CD-ND2 3.26Å; E217-N223 PolarHBondContact OE2-N 2.89Å; E217-N223 PolarHBondContact OE2-ND2 2.93Å; E217-D224 PolarHBondContact N-OD2 3.32Å; E217-D224 WeakPolarHBondContact O-CB 3.44Å; E217-D224 PolarHBondContact O-N 3.15Å; E217-Y225 PolarHBondContact O-N 2.84Å
218T96.4Very high94.2Very high10 Ų1044.2 Ų44.26%0.06126%0.258CS..  trans-87.70.2-17154.30000114.7G215 D224 Y225 F228 T237G215-T218 WeakPolarHBondContact O-CG2 3.42Å; T218-D224 HydrophobicContact CG2-CB 3.88Å; T218-Y225 WeakPolarHBondContact O-CD2 3.5Å; T218-F228 HydrophobicContact CG2-CB 3.9Å; T218-F228 HydrophobicContact CG2-CD2 3.37Å; T218-F228 HydrophobicContact CG2-CE2 4Å; T218-F228 HydrophobicContact CG2-CG 3.69Å; T218-T237 WeakPolarHBondContact OG1-CB 3.48Å; T218-T237 WeakPolarHBondContact OG1-CG2 3.25Å; T218-T237 PolarHBondContact OG1-OG1 3.44Å
219S92.5Very high94.3Very high91 Ų9146.8 Ų46.864%0.63627%0.272SS*.SBendtrans-84.6158.7174.9-68.10000111.6E217 G221 G222 Y225E217-S219 PolarHBondContact O-N 3.21Å; S219-G221 PolarHBondContact O-N 2.71Å; S219-G222 PolarHBondContact O-N 2.86Å; S219-Y225 VanDerWaalsContact C-CD2 3.46Å
220S86.9Confident94.4Very high106 Ų10641.6 Ų41.674%0.74125%0.245SC*.THydrogen-bonded Turntrans-48.7123.1179.7178.10000112.3G222S220-G222 VanDerWaalsContact C-N 3.35Å
221G79.3Confident94.4Very high71 Ų7146.8 Ų46.873%0.73228%0.277SS*.THydrogen-bonded Turntrans87.4-4.3-178.400000115.2S219S219-G221 PolarHBondContact O-N 2.71Å
222G85.5Confident94.3Very high12 Ų1249.9 Ų49.912%0.12429%0.287CS..SBendtrans-80.3153.9166.700000111.5E217 S219 S220 D224 Y225E217-G222 CarbonylContact O-C 3.53Å; E217-G222 VanDerWaalsContact O-C 3.23Å; E217-G222 VanDerWaalsContact O-CA 3.26Å; E217-G222 WeakPolarHBondContact O-CA 3.49Å; S219-G222 PolarHBondContact O-N 2.86Å; S220-G222 VanDerWaalsContact C-N 3.35Å; G222-D224 PolarHBondContact O-N 2.84Å; G222-Y225 VanDerWaalsContact O-CB 3.27Å; G222-Y225 WeakPolarHBondContact O-CB 3.47Å; G222-Y225 PolarHBondContact O-N 2.77Å
223N87.6Confident94.3Very high66 Ų6648.6 Ų48.635%0.35328%0.284SS..THydrogen-bonded Turntrans-73-11.1-17174.262.1000114.7K196 E217K196-N223 PolarHBondContact NZ-OD1 2.96Å; E217-N223 VanDerWaalsContact CD-ND2 3.26Å; E217-N223 PolarHBondContact OE2-N 2.89Å; E217-N223 PolarHBondContact OE2-ND2 2.93Å
224D94.9Very high94.3Very high0 Ų052.2 Ų52.20%030%0.302CS..THydrogen-bonded Turntrans-95.2-9.6175.4-65.2-46.5000112.9K196 F213 G215 N216 E217 T218 G222 E226 I227 F228K196-D224 WeakPolarHBondContact CD-OD1 2.84Å; K196-D224 IonicContact NZ-OD1 3.9Å; K196-D224 PolarHBondContact NZ-OD1 2.88Å; F213-D224 HydrophobicContact CE1-CB 3.9Å; F213-D224 HydrophobicContact CZ-CB 4.02Å; F213-D224 WeakPolarHBondContact CZ-OD1 3.22Å; G215-D224 WeakPolarHBondContact CA-OD2 3.33Å; N216-D224 PolarHBondContact N-OD2 3.45Å; N216-D224 VanDerWaalsContact N-OD2 3.08Å; N216-D224 PolarHBondContact OD1-OD2 3.19Å; E217-D224 PolarHBondContact N-OD2 3.32Å; E217-D224 WeakPolarHBondContact O-CB 3.44Å; E217-D224 PolarHBondContact O-N 3.15Å; T218-D224 HydrophobicContact CG2-CB 3.88Å; G222-D224 PolarHBondContact O-N 2.84Å; D224-E226 PolarHBondContact O-N 3.03Å; D224-I227 VanDerWaalsContact O-CG2 3.24Å; D224-I227 WeakPolarHBondContact O-CG2 3.43Å; D224-I227 PolarHBondContact O-N 2.82Å; D224-F228 WeakPolarHBondContact O-CB 3.4Å; D224-F228 PolarHBondContact O-N 2.75Å
225Y94.6Very high94.2Very high86 Ų8653.5 Ų53.534%0.33732%0.316SS..Hα-helixtrans-55.8-48.4-169.4177.6-102.9000112.4E217 T218 S219 G222 N229E217-Y225 PolarHBondContact O-N 2.84Å; T218-Y225 WeakPolarHBondContact O-CD2 3.5Å; S219-Y225 VanDerWaalsContact C-CD2 3.46Å; G222-Y225 VanDerWaalsContact O-CB 3.27Å; G222-Y225 WeakPolarHBondContact O-CB 3.47Å; G222-Y225 PolarHBondContact O-N 2.77Å; Y225-N229 WeakPolarHBondContact CD2-ND2 3.19Å; Y225-N229 WeakPolarHBondContact CE2-ND2 3.11Å; Y225-N229 PolarHBondContact O-N 2.7Å; Y225-N229 VanDerWaalsContact O-N 3.09Å; Y225-N229 PolarHBondContact O-ND2 3.33Å
226E94.9Very high94.3Very high65 Ų6555.6 Ų55.630%0.30433%0.325SS..Hα-helixtrans-68.1-43.1-174.6-69.776.3-166.800112.6R197 D224 D230R197-E226 WeakPolarHBondContact CD-O 3.35Å; R197-E226 HydrophobicContact CG-CB 4.13Å; D224-E226 PolarHBondContact O-N 3.03Å; E226-D230 PolarHBondContact O-N 2.92Å; E226-D230 VanDerWaalsContact O-N 3.14Å
227I97Very high94.3Very high0 Ų055.4 Ų55.40%033%0.325CS..Hα-helixtrans-71.2-38.1178.1-175.6167.4000111.4L15 V49 K196 R197 L200 F213 D224 N229 D230 T233L15-I227 HydrophobicContact CD2-CD1 3.76Å; V49-I227 HydrophobicContact CG1-CD1 4.27Å; K196-I227 HydrophobicContact CB-CB 3.82Å; K196-I227 HydrophobicContact CB-CD1 4.01Å; K196-I227 HydrophobicContact CB-CG2 3.6Å; K196-I227 HydrophobicContact CD-CG2 4.06Å; K196-I227 HydrophobicContact CG-CG2 4.46Å; R197-I227 HydrophobicContact CG-CB 4.27Å; L200-I227 HydrophobicContact CD1-CG1 4.2Å; L200-I227 HydrophobicContact CD2-CD1 4.15Å; L200-I227 HydrophobicContact CD2-CG1 4.39Å; L200-I227 HydrophobicContact CG-CD1 4.37Å; L200-I227 HydrophobicContact CG-CG1 4.44Å; F213-I227 HydrophobicContact CD1-CG2 4.11Å; F213-I227 HydrophobicContact CD2-CD1 3.72Å; F213-I227 HydrophobicContact CD2-CG1 3.99Å; F213-I227 HydrophobicContact CD2-CG2 4.24Å; F213-I227 HydrophobicContact CE1-CG2 3.62Å; F213-I227 HydrophobicContact CE2-CD1 3.86Å; F213-I227 HydrophobicContact CE2-CG1 4.26Å; F213-I227 HydrophobicContact CE2-CG2 3.76Å; F213-I227 HydrophobicContact CG-CD1 4.37Å; F213-I227 HydrophobicContact CG-CG1 4.15Å; F213-I227 HydrophobicContact CG-CG2 4.4Å; F213-I227 HydrophobicContact CZ-CG2 3.43Å; F213-I227 VanDerWaalsContact CZ-CG2 3.43Å; D224-I227 VanDerWaalsContact O-CG2 3.24Å; D224-I227 WeakPolarHBondContact O-CG2 3.43Å; D224-I227 PolarHBondContact O-N 2.82Å; I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 PolarHBondContact O-N 2.91Å; I227-D230 WeakPolarHBondContact O-CB 3.29Å; I227-D230 PolarHBondContact O-N 3.39Å; I227-T233 HydrophobicContact CG1-CG2 4.19Å; I227-T233 PolarHBondContact O-OG1 3.43Å
228F97.9Very high94.6Very high46 Ų4651.1 Ų51.120%0.20231%0.305CS..Hα-helixtrans-62.5-37.4177.5173.8-87.5000112.7F213 T218 D224F213-F228 HydrophobicContact CD1-CB 4.06Å; F213-F228 HydrophobicContact CD1-CD2 4.44Å; F213-F228 HydrophobicContact CE1-CB 4.14Å; T218-F228 HydrophobicContact CG2-CB 3.9Å; T218-F228 HydrophobicContact CG2-CD2 3.37Å; T218-F228 HydrophobicContact CG2-CE2 4Å; T218-F228 HydrophobicContact CG2-CG 3.69Å; D224-F228 WeakPolarHBondContact O-CB 3.4Å; D224-F228 PolarHBondContact O-N 2.75Å
229N97.1Very high94.6Very high86 Ų8659.4 Ų59.446%0.4634%0.337SS..THydrogen-bonded Turntrans-91-1178.5-68.7-77.4000113.3Y225 I227Y225-N229 WeakPolarHBondContact CD2-ND2 3.19Å; Y225-N229 WeakPolarHBondContact CE2-ND2 3.11Å; Y225-N229 PolarHBondContact O-N 2.7Å; Y225-N229 VanDerWaalsContact O-N 3.09Å; Y225-N229 PolarHBondContact O-ND2 3.33Å; I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 PolarHBondContact O-N 2.91Å
230D97.3Very high94.8Very high16 Ų1656.7 Ų56.79%0.08632%0.318CS..  trans-68.3128.9177.4-168-64.5000109.4R197 L200 E226 I227 R232 T233R197-D230 WeakPolarHBondContact CD-OD2 3.36Å; R197-D230 HydrophobicContact CG-CB 4.23Å; L200-D230 HydrophobicContact CD1-CB 3.75Å; E226-D230 PolarHBondContact O-N 2.92Å; E226-D230 VanDerWaalsContact O-N 3.14Å; I227-D230 WeakPolarHBondContact O-CB 3.29Å; I227-D230 PolarHBondContact O-N 3.39Å; D230-R232 PolarHBondContact O-N 2.66Å; D230-R232 VanDerWaalsContact OD1-CB 3.26Å; D230-R232 WeakPolarHBondContact OD1-CB 3.25Å; D230-R232 WeakPolarHBondContact OD1-CG 3.44Å; D230-R232 IonicContact OD1-CZ 3.75Å; D230-R232 PolarHBondContact OD1-N 2.97Å; D230-R232 IonicContact OD1-NE 2.74Å; D230-R232 PolarHBondContact OD1-NE 3.2Å; D230-R232 IonicContact OD1-NH2 2.84Å; D230-R232 IonicContact OD2-CZ 2.75Å; D230-R232 IonicContact OD2-NE 3.72Å; D230-R232 PolarHBondContact OD2-NE 2.97Å; D230-R232 IonicContact OD2-NH2 3.31Å; D230-R232 PolarHBondContact OD2-NH2 3.36Å; D230-T233 PolarHBondContact O-N 3.48Å; D230-T233 PolarHBondContact O-OG1 3.34Å; D230-T233 VanDerWaalsContact O-OG1 3.06Å
231P96.9Very high95.3Very high130 Ų13052.1 Ų52.184%0.84429%0.286SS*.THydrogen-bonded Turntrans-62.4-14.5-17626.5-36.8000113.9T233P231-T233 PolarHBondContact O-N 3.05Å
232R97.2Very high96.3Very high81 Ų8153.9 Ų53.931%0.30628%0.275SS..THydrogen-bonded Turntrans-75.9-9.2174.2-63.2172.2-73.4-178.80.7112.8L200 D201 E204 D230L200-R232 VanDerWaalsContact CB-CZ 3.46Å; L200-R232 HydrophobicContact CD1-CB 4.4Å; D201-R232 IonicContact OD1-CZ 3.74Å; D201-R232 IonicContact OD1-NH1 3.84Å; D201-R232 PolarHBondContact OD1-NH1 2.95Å; D201-R232 IonicContact OD1-NH2 2.79Å; E204-R232 IonicContact OE2-NH1 3.12Å; D230-R232 PolarHBondContact O-N 2.66Å; D230-R232 VanDerWaalsContact OD1-CB 3.26Å; D230-R232 WeakPolarHBondContact OD1-CB 3.25Å; D230-R232 WeakPolarHBondContact OD1-CG 3.44Å; D230-R232 IonicContact OD1-CZ 3.75Å; D230-R232 PolarHBondContact OD1-N 2.97Å; D230-R232 IonicContact OD1-NE 2.74Å; D230-R232 PolarHBondContact OD1-NE 3.2Å; D230-R232 IonicContact OD1-NH2 2.84Å; D230-R232 IonicContact OD2-CZ 2.75Å; D230-R232 IonicContact OD2-NE 3.72Å; D230-R232 PolarHBondContact OD2-NE 2.97Å; D230-R232 IonicContact OD2-NH2 3.31Å; D230-R232 PolarHBondContact OD2-NH2 3.36Å
233T98.1Very high96.9Very high16 Ų1654.6 Ų54.610%0.09828%0.276CS..  trans-118.3153.1-176.375.30000113.2L200 I211 F213 I227 D230 P231L200-T233 HydrophobicContact CD1-CG2 3.95Å; L200-T233 HydrophobicContact CD2-CG2 3.82Å; I211-T233 HydrophobicContact CG2-CG2 4.29Å; I211-T233 CarbonylContact O-C 3.55Å; I211-T233 WeakPolarHBondContact O-CA 3.43Å; F213-T233 HydrophobicContact CB-CG2 4.27Å; I227-T233 HydrophobicContact CG1-CG2 4.19Å; I227-T233 PolarHBondContact O-OG1 3.43Å; D230-T233 PolarHBondContact O-N 3.48Å; D230-T233 PolarHBondContact O-OG1 3.34Å; D230-T233 VanDerWaalsContact O-OG1 3.06Å; P231-T233 PolarHBondContact O-N 3.05Å
234I98.4Very high97.4Very high76 Ų7651.4 Ų51.439%0.3926%0.259SS..EExtended strand (participates in β ladder)trans-104.799.1165.6-52.7172.8000106.2A210 I211 Y212 F213 F236A210-I234 HydrophobicContact CB-CD1 4.17Å; I211-I234 PolarHBondContact O-N 3.48Å; Y212-I234 WeakPolarHBondContact CA-O 3.33Å; Y212-I234 HydrophobicContact CD1-CB 4.37Å; Y212-I234 HydrophobicContact CD1-CG2 4.41Å; Y212-I234 HydrophobicContact CE1-CD1 4.2Å; Y212-I234 HydrophobicContact CE1-CG2 4.32Å; Y212-I234 HydrophobicContact CE2-CD1 4.06Å; F213-I234 PolarHBondContact N-O 3.46Å; I234-F236 HydrophobicContact CB-CE2 4.5Å; I234-F236 HydrophobicContact CG2-CE2 3.74Å; I234-F236 HydrophobicContact CG2-CZ 4.34Å; I234-F236 WeakPolarHBondContact O-CD2 3.48Å
235G98.1Very high97.5Very high27 Ų2751.4 Ų51.428%0.27826%0.259SS..EExtended strand (participates in β ladder)trans-81.1137.9-171.800000114.6F213F213-G235 CarbonylContact O-C 3.48Å; F213-G235 WeakPolarHBondContact O-CA 3.31Å
236F98.4Very high97.7Very high45 Ų4551.6 Ų51.620%0.19726%0.259CS..EExtended strand (participates in β ladder)trans-126.3117.3172.7-71-95.7000110.2Y212 F213 F214 G215 I234 H247 I251Y212-F236 HydrophobicContact CD1-CD2 4.27Å; Y212-F236 AromaticContact CD1-CE2 3.47Å; Y212-F236 HydrophobicContact CD1-CE2 3.47Å; Y212-F236 VanDerWaalsContact CD1-CE2 3.47Å; Y212-F236 HydrophobicContact CD1-CZ 4.17Å; Y212-F236 AromaticContact CE1-CE2 3.99Å; Y212-F236 HydrophobicContact CE1-CE2 3.99Å; Y212-F236 HydrophobicContact CE1-CZ 4.31Å; F213-F236 PolarHBondContact O-N 3.4Å; F214-F236 WeakPolarHBondContact CA-O 3.39Å; F214-F236 HydrophobicContact CD1-CB 3.51Å; F214-F236 HydrophobicContact CD1-CD2 4.4Å; F214-F236 HydrophobicContact CD1-CG 4.04Å; F214-F236 HydrophobicContact CE1-CB 3.74Å; F214-F236 HydrophobicContact CE1-CD1 4.33Å; F214-F236 AromaticContact CE1-CD2 3.91Å; F214-F236 HydrophobicContact CE1-CD2 3.91Å; F214-F236 AromaticContact CE1-CG 3.71Å; F214-F236 HydrophobicContact CE1-CG 3.71Å; F214-F236 HydrophobicContact CG-CB 4.3Å; F214-F236 HydrophobicContact CZ-CD2 4.15Å; F214-F236 HydrophobicContact CZ-CG 4.41Å; G215-F236 PolarHBondContact N-O 2.89Å; G215-F236 VanDerWaalsContact N-O 3.12Å; I234-F236 HydrophobicContact CB-CE2 4.5Å; I234-F236 HydrophobicContact CG2-CE2 3.74Å; I234-F236 HydrophobicContact CG2-CZ 4.34Å; I234-F236 WeakPolarHBondContact O-CD2 3.48Å; F236-H247 AromaticContact CD1-ND1 3.63Å; F236-I251 HydrophobicContact CD1-CD1 4.43Å; F236-I251 HydrophobicContact CE1-CD1 3.75Å; F236-I251 HydrophobicContact CE2-CD1 4.11Å; F236-I251 HydrophobicContact CZ-CD1 3.57Å
237T98.5Very high97.8Very high43 Ų4350.1 Ų50.126%0.26425%0.252SS..EExtended strand (participates in β ladder)trans-75.8126.2168.2-51.80000108.9G215 T218 Y239G215-T237 WeakPolarHBondContact O-CA 3.49Å; T218-T237 WeakPolarHBondContact OG1-CB 3.48Å; T218-T237 WeakPolarHBondContact OG1-CG2 3.25Å; T218-T237 PolarHBondContact OG1-OG1 3.44Å; T237-Y239 HydrophobicContact CG2-CE1 4.14Å
238V98.3Very high97.9Very high0 Ų050.1 Ų50.10%025%0.252CS..  trans-122.7156.4177.4-62.30000110.5T21 F214 G215 N216 T244T21-V238 HydrophobicContact CG2-CG2 3.98Å; F214-V238 HydrophobicContact CB-CG1 4.5Å; F214-V238 HydrophobicContact CD1-CG1 4.12Å; G215-V238 PolarHBondContact O-N 2.94Å; N216-V238 VanDerWaalsContact CA-O 3.29Å; N216-V238 WeakPolarHBondContact CA-O 3.41Å; N216-V238 WeakPolarHBondContact CB-O 3.4Å; V238-T244 WeakPolarHBondContact CG2-OG1 3.31Å
239Y96.7Very high97.8Very high185 Ų18553.4 Ų53.473%0.72526%0.263SS*.SBendtrans-116.6-10.8-176.6-55.7-78.9000113.9T237 D243T237-Y239 HydrophobicContact CG2-CE1 4.14Å; Y239-D243 WeakPolarHBondContact CD2-OD2 3.24Å; Y239-D243 PolarHBondContact N-OD2 3.18Å
240S97.6Very high97.8Very high34 Ų3452.8 Ų52.824%0.23826%0.258CS..SBendtrans-162166174.384.70000111.3E242 D243 T244S240-E242 VanDerWaalsContact C-N 3.26Å; S240-E242 VanDerWaalsContact CB-OE2 3.32Å; S240-E242 WeakPolarHBondContact CB-OE2 3.32Å; S240-E242 PolarHBondContact O-N 3.29Å; S240-E242 PolarHBondContact OG-N 3.27Å; S240-E242 PolarHBondContact OG-OE2 2.82Å; S240-D243 WeakPolarHBondContact O-CB 3.29Å; S240-D243 PolarHBondContact O-N 2.87Å; S240-D243 PolarHBondContact OG-N 3.37Å; S240-T244 PolarHBondContact O-N 2.97Å; S240-T244 PolarHBondContact O-OG1 3.47Å
241P98.1Very high97.7Very high10 Ų1054.7 Ų54.77%0.06527%0.267CS..Hα-helixtrans-55.9-36.1172.8-28.238.4000114.7T21 L22 L33 D243 T244 A245T21-P241 WeakPolarHBondContact O-CA 3.37Å; L22-P241 WeakPolarHBondContact O-CB 3.24Å; L33-P241 HydrophobicContact CD1-CB 3.34Å; P241-D243 VanDerWaalsContact C-N 3.35Å; P241-T244 WeakPolarHBondContact O-CB 3.27Å; P241-T244 PolarHBondContact O-N 2.85Å; P241-A245 PolarHBondContact O-N 2.89Å
242E98.3Very high97.6Very high107 Ų10749.8 Ų49.850%0.523%0.232SC..Hα-helixtrans-68.4-36.3176.3-59.472.8-158.300112S240 A245 R246S240-E242 VanDerWaalsContact C-N 3.26Å; S240-E242 VanDerWaalsContact CB-OE2 3.32Å; S240-E242 WeakPolarHBondContact CB-OE2 3.32Å; S240-E242 PolarHBondContact O-N 3.29Å; S240-E242 PolarHBondContact OG-N 3.27Å; S240-E242 PolarHBondContact OG-OE2 2.82Å; E242-A245 PolarHBondContact O-N 2.98Å; E242-R246 WeakPolarHBondContact O-CB 3.32Å; E242-R246 PolarHBondContact O-N 3.11Å
243D98.3Very high97.3Very high27 Ų2749.5 Ų49.514%0.14423%0.233CC..Hα-helixtrans-69.2-40.2177.4-165.741000111.5Y239 S240 P241 A245 R246 H247Y239-D243 WeakPolarHBondContact CD2-OD2 3.24Å; Y239-D243 PolarHBondContact N-OD2 3.18Å; S240-D243 WeakPolarHBondContact O-CB 3.29Å; S240-D243 PolarHBondContact O-N 2.87Å; S240-D243 PolarHBondContact OG-N 3.37Å; P241-D243 VanDerWaalsContact C-N 3.35Å; D243-A245 VanDerWaalsContact C-N 3.35Å; D243-A245 PolarHBondContact O-N 2.76Å; D243-R246 WeakPolarHBondContact O-CB 3.34Å; D243-R246 PolarHBondContact O-N 3.29Å; D243-R246 IonicContact OD1-CZ 3.07Å; D243-R246 IonicContact OD1-NE 2.86Å; D243-R246 PolarHBondContact OD1-NE 3.32Å; D243-R246 IonicContact OD1-NH2 3.99Å; D243-R246 PolarHBondContact OD1-NH2 2.92Å; D243-R246 IonicContact OD2-NH2 3.94Å; D243-H247 PolarHBondContact O-CD2 2.98Å; D243-H247 PolarHBondContact O-N 2.93Å
244T98.6Very high96.5Very high0 Ų055.4 Ų55.40%026%0.258CS..Hα-helixtrans-55-51168.6-53.20000110.9F16 T21 L22 F37 F214 V238 S240 P241 R246 H247 C248F16-T244 HydrophobicContact CD1-CG2 3.67Å; F16-T244 HydrophobicContact CE1-CG2 3.68Å; T21-T244 HydrophobicContact CG2-CG2 4.41Å; T21-T244 WeakPolarHBondContact O-CB 3.32Å; T21-T244 PolarHBondContact O-OG1 3.19Å; L22-T244 HydrophobicContact CD2-CG2 4.43Å; F37-T244 HydrophobicContact CE1-CG2 4.16Å; F37-T244 HydrophobicContact CZ-CG2 4.08Å; F214-T244 HydrophobicContact CB-CG2 4.27Å; F214-T244 HydrophobicContact CD1-CG2 4.38Å; F214-T244 HydrophobicContact CG-CG2 4.35Å; V238-T244 WeakPolarHBondContact CG2-OG1 3.31Å; S240-T244 PolarHBondContact O-N 2.97Å; S240-T244 PolarHBondContact O-OG1 3.47Å; P241-T244 WeakPolarHBondContact O-CB 3.27Å; P241-T244 PolarHBondContact O-N 2.85Å; T244-R246 VanDerWaalsContact C-N 3.29Å; T244-R246 PolarHBondContact O-N 3.42Å; T244-H247 PolarHBondContact O-N 3.36Å; T244-C248 PolarHBondContact O-N 3.28Å; T244-C248 PolarHBondContact O-SG 2.95Å; T244-C248 VanDerWaalsContact O-SG 3.36Å
245A98.1Very high94.5Very high0 Ų055.8 Ų55.80%027%0.272CS..Hα-helixtrans-62.3-36.4178.500000112.4L33 F36 P241 E242 D243 C248 R249L33-A245 HydrophobicContact CD2-CB 3.82Å; F36-A245 HydrophobicContact CD1-CB 3.69Å; F36-A245 HydrophobicContact CE1-CB 3.66Å; F36-A245 HydrophobicContact CG-CB 4.43Å; F36-A245 HydrophobicContact CZ-CB 4.38Å; F36-A245 WeakPolarHBondContact CZ-O 3.17Å; P241-A245 PolarHBondContact O-N 2.89Å; E242-A245 PolarHBondContact O-N 2.98Å; D243-A245 VanDerWaalsContact C-N 3.35Å; D243-A245 PolarHBondContact O-N 2.76Å; A245-C248 PolarHBondContact O-N 3.23Å; A245-R249 VanDerWaalsContact O-CG 3.28Å; A245-R249 WeakPolarHBondContact O-CG 3.47Å; A245-R249 PolarHBondContact O-N 3.01Å
246R98Very high92.4Very high90 Ų9059.8 Ų59.834%0.3429%0.293SS..Hα-helixtrans-60.5-51.4174-177.2-170.562.571.41.3111E242 D243 T244 C248 R249 E250E242-R246 WeakPolarHBondContact O-CB 3.32Å; E242-R246 PolarHBondContact O-N 3.11Å; D243-R246 WeakPolarHBondContact O-CB 3.34Å; D243-R246 PolarHBondContact O-N 3.29Å; D243-R246 IonicContact OD1-CZ 3.07Å; D243-R246 IonicContact OD1-NE 2.86Å; D243-R246 PolarHBondContact OD1-NE 3.32Å; D243-R246 IonicContact OD1-NH2 3.99Å; D243-R246 PolarHBondContact OD1-NH2 2.92Å; D243-R246 IonicContact OD2-NH2 3.94Å; T244-R246 VanDerWaalsContact C-N 3.29Å; T244-R246 PolarHBondContact O-N 3.42Å; R246-C248 PolarHBondContact O-N 2.83Å; R246-R249 WeakPolarHBondContact O-CB 3.34Å; R246-R249 PolarHBondContact O-N 3.33Å; R246-R249 VanDerWaalsContact O-N 3.17Å; R246-E250 WeakPolarHBondContact CG-OE1 3.4Å; R246-E250 IonicContact CZ-OE1 3.22Å; R246-E250 IonicContact NH1-OE1 2.68Å; R246-E250 PolarHBondContact NH1-OE1 3.18Å; R246-E250 IonicContact NH1-OE2 3.03Å; R246-E250 PolarHBondContact NH1-OE2 3.37Å; R246-E250 VanDerWaalsContact NH1-OE2 3.07Å; R246-E250 WeakPolarHBondContact O-CG 3.42Å; R246-E250 PolarHBondContact O-N 3.49Å
247H97.8Very high90.1Very high34 Ų3463.5 Ų63.516%0.15732%0.32CS..Hα-helixtrans-57.4-47.2176.8-83.7-74.5000112F214 F236 D243 T244 R249 E250 I251F214-H247 HydrophobicContact CD1-CB 4.47Å; F214-H247 HydrophobicContact CE1-CB 3.88Å; F236-H247 AromaticContact CD1-ND1 3.63Å; D243-H247 PolarHBondContact O-CD2 2.98Å; D243-H247 PolarHBondContact O-N 2.93Å; T244-H247 PolarHBondContact O-N 3.36Å; H247-R249 VanDerWaalsContact C-N 3.31Å; H247-R249 PolarHBondContact O-N 2.75Å; H247-E250 PolarHBondContact O-N 2.72Å; H247-E250 VanDerWaalsContact O-N 3.16Å; H247-I251 WeakPolarHBondContact O-CD1 3.21Å; H247-I251 VanDerWaalsContact O-CG1 3.27Å; H247-I251 WeakPolarHBondContact O-CG1 3.06Å; H247-I251 PolarHBondContact O-N 3.35Å
248C97.8Very high87.5Confident0 Ų068.5 Ų68.50%035%0.345CS..Hα-helixtrans-60.4-38.9177.2-64.90000112.8F36 L40 T244 A245 R246 F252F36-C248 HydrophobicContact CE1-CB 3.83Å; F36-C248 HydrophobicContact CZ-CB 3.73Å; L40-C248 HydrophobicContact CD1-CB 4.42Å; L40-C248 HydrophobicContact CD2-CB 3.95Å; T244-C248 PolarHBondContact O-N 3.28Å; T244-C248 PolarHBondContact O-SG 2.95Å; T244-C248 VanDerWaalsContact O-SG 3.36Å; A245-C248 PolarHBondContact O-N 3.23Å; R246-C248 PolarHBondContact O-N 2.83Å; C248-F252 HydrophobicContact CB-CD2 4.43Å; C248-F252 WeakPolarHBondContact O-CB 3.19Å; C248-F252 WeakPolarHBondContact O-CD2 3.33Å; C248-F252 PolarHBondContact O-N 3.33Å
249R96.8Very high84.9Confident114 Ų11477.3 Ų77.343%0.4339%0.386SS..Hα-helixtrans-61.9-44.9174.7-74.8177.4-160.8114.30.3111.7F36 A245 R246 H247 I251 F253 K254F36-R249 HydrophobicContact CD2-CG 4.4Å; F36-R249 HydrophobicContact CE2-CG 3.39Å; F36-R249 HydrophobicContact CZ-CG 3.63Å; A245-R249 VanDerWaalsContact O-CG 3.28Å; A245-R249 WeakPolarHBondContact O-CG 3.47Å; A245-R249 PolarHBondContact O-N 3.01Å; R246-R249 WeakPolarHBondContact O-CB 3.34Å; R246-R249 PolarHBondContact O-N 3.33Å; R246-R249 VanDerWaalsContact O-N 3.17Å; H247-R249 VanDerWaalsContact C-N 3.31Å; H247-R249 PolarHBondContact O-N 2.75Å; R249-I251 VanDerWaalsContact C-N 3.32Å; R249-I251 PolarHBondContact O-N 3.21Å; R249-F253 CarbonylContact O-C 3.5Å; R249-F253 WeakPolarHBondContact O-CA 3.38Å; R249-F253 WeakPolarHBondContact O-CB 3.1Å; R249-F253 PolarHBondContact O-N 3.11Å; R249-K254 PolarHBondContact O-N 3Å; R249-K254 VanDerWaalsContact O-N 3.17Å
250E96Very high82.1Confident74 Ų7477.3 Ų77.335%0.34641%0.413SS..Hα-helixtrans-63.6-39.1-178.6-68.7175.2-17900112.3R246 H247 K254R246-E250 WeakPolarHBondContact CG-OE1 3.4Å; R246-E250 IonicContact CZ-OE1 3.22Å; R246-E250 IonicContact NH1-OE1 2.68Å; R246-E250 PolarHBondContact NH1-OE1 3.18Å; R246-E250 IonicContact NH1-OE2 3.03Å; R246-E250 PolarHBondContact NH1-OE2 3.37Å; R246-E250 VanDerWaalsContact NH1-OE2 3.07Å; R246-E250 WeakPolarHBondContact O-CG 3.42Å; R246-E250 PolarHBondContact O-N 3.49Å; H247-E250 PolarHBondContact O-N 2.72Å; H247-E250 VanDerWaalsContact O-N 3.16Å; E250-K254 HydrophobicContact CB-CD 4.39Å
251I95.1Very high81.3Confident56 Ų5679.5 Ų79.529%0.28742%0.422SS..Hα-helixtrans-82.1-44.2-176.2-58.4161.8000111.5Y212 F214 F236 H247 R249Y212-I251 HydrophobicContact CD1-CD1 4.29Å; Y212-I251 HydrophobicContact CE1-CD1 4.4Å; Y212-I251 HydrophobicContact CE1-CG2 4Å; F214-I251 HydrophobicContact CE1-CD1 4.45Å; F214-I251 HydrophobicContact CZ-CD1 4.25Å; F236-I251 HydrophobicContact CD1-CD1 4.43Å; F236-I251 HydrophobicContact CE1-CD1 3.75Å; F236-I251 HydrophobicContact CE2-CD1 4.11Å; F236-I251 HydrophobicContact CZ-CD1 3.57Å; H247-I251 WeakPolarHBondContact O-CD1 3.21Å; H247-I251 VanDerWaalsContact O-CG1 3.27Å; H247-I251 WeakPolarHBondContact O-CG1 3.06Å; H247-I251 PolarHBondContact O-N 3.35Å; R249-I251 VanDerWaalsContact C-N 3.32Å; R249-I251 PolarHBondContact O-N 3.21Å
252F95.3Very high80.4Confident26 Ų2683.2 Ų83.211%0.11444%0.441CS..Hα-helixtrans-111.6-8.9-166.2-56-69.2000114.8I12 C14 L40 K43 V44 Y212 C248I12-F252 HydrophobicContact CD1-CE1 4.44Å; I12-F252 HydrophobicContact CG2-CE1 4Å; I12-F252 HydrophobicContact CG2-CZ 4.24Å; C14-F252 WeakPolarHBondContact SG-CE2 3.11Å; C14-F252 WeakPolarHBondContact SG-CZ 3.43Å; L40-F252 HydrophobicContact CD1-CB 3.85Å; L40-F252 HydrophobicContact CD1-CD2 3.62Å; L40-F252 HydrophobicContact CD1-CE2 4.47Å; L40-F252 HydrophobicContact CD1-CG 3.89Å; K43-F252 VanDerWaalsContact CD-O 3.23Å; K43-F252 WeakPolarHBondContact CD-O 3.39Å; K43-F252 PolarHBondContact NZ-O 2.96Å; V44-F252 HydrophobicContact CG1-CD1 3.76Å; V44-F252 HydrophobicContact CG1-CE1 3.84Å; V44-F252 HydrophobicContact CG1-CG 4.4Å; Y212-F252 HydrophobicContact CD1-CZ 4.1Å; Y212-F252 AromaticContact CD2-CZ 3.99Å; Y212-F252 HydrophobicContact CD2-CZ 3.99Å; Y212-F252 HydrophobicContact CE1-CZ 4.26Å; Y212-F252 HydrophobicContact CE2-CE1 4.41Å; Y212-F252 HydrophobicContact CE2-CZ 4.13Å; Y212-F252 HydrophobicContact CG-CZ 4.01Å; C248-F252 HydrophobicContact CB-CD2 4.43Å; C248-F252 WeakPolarHBondContact O-CB 3.19Å; C248-F252 WeakPolarHBondContact O-CD2 3.33Å; C248-F252 PolarHBondContact O-N 3.33Å
253F90.8Very high79.4Confident75 Ų7581.8 Ų81.833%0.32944%0.438SS..THydrogen-bonded Turntrans-122.8-12.7-176.9-66.2-95.1000114.7F36 L40 K43 R249F36-F253 HydrophobicContact CE2-CD2 4.34Å; F36-F253 AromaticContact CE2-CE2 3.93Å; F36-F253 HydrophobicContact CE2-CE2 3.93Å; F36-F253 HydrophobicContact CE2-CZ 4.37Å; F36-F253 HydrophobicContact CZ-CE2 4.08Å; L40-F253 HydrophobicContact CB-CE2 4.19Å; L40-F253 HydrophobicContact CB-CZ 4.34Å; L40-F253 HydrophobicContact CD1-CE2 3.75Å; L40-F253 HydrophobicContact CD1-CZ 4.47Å; K43-F253 HydrophobicContact CD-CD1 4.18Å; K43-F253 HydrophobicContact CD-CE1 3.91Å; K43-F253 HydrophobicContact CD-CE2 4.46Å; K43-F253 HydrophobicContact CD-CZ 4.07Å; R249-F253 CarbonylContact O-C 3.5Å; R249-F253 WeakPolarHBondContact O-CA 3.38Å; R249-F253 WeakPolarHBondContact O-CB 3.1Å; R249-F253 PolarHBondContact O-N 3.11Å
254K81.3Confident78.3Confident141 Ų14185.1 Ų85.161%0.61346%0.455SS*.SBendtrans-70.7130166.3-72-177177.6173.50109.1R249 E250R249-K254 PolarHBondContact O-N 3Å; R249-K254 VanDerWaalsContact O-N 3.17Å; E250-K254 HydrophobicContact CB-CD 4.39Å
255A56.7Low77.1Confident83 Ų8390.4 Ų90.469%0.68648%0.483SS*.PPolyproline II helixtrans-64.1153.216900000109.2T257A255-T257 PolarHBondContact O-N 3.16Å; A255-T257 VanDerWaalsContact O-N 3.12Å
256P55.1Low75.7Confident111 Ų11196.4 Ų96.472%0.72152%0.516SS*.PPolyproline II helixtrans-53.9124.9168.5-16.428.6000107.8N258P256-N258 PolarHBondContact O-N 2.6Å
257T49.1Very low74.1Confident124 Ų12496.9 Ų96.976%0.76153%0.528SS*.  trans-58.8109.9159.6310000105.6A255 E259A255-T257 PolarHBondContact O-N 3.16Å; A255-T257 VanDerWaalsContact O-N 3.12Å; T257-E259 PolarHBondContact O-N 2.77Å
258N43.3Very low72.2Confident147 Ų147101.7 Ų101.779%0.78656%0.557SS**  trans-58.990.8167.4-75.7-20.5000107P256 S260P256-N258 PolarHBondContact O-N 2.6Å; N258-S260 PolarHBondContact O-N 2.92Å; N258-S260 PolarHBondContact O-OG 3.03Å
259E43.6Very low70.1Confident185 Ų185110.2 Ų110.286%0.86460%0.603SS**  trans-63.6115.4161-72.4-169.8165.700106.1T257T257-E259 PolarHBondContact O-N 2.77Å
260S38.3Very low67.7Low186 Ų186109.8 Ų109.8100%1.30162%0.619SS**  trans-82.80-178.6-40.60000110N258N258-S260 PolarHBondContact O-N 2.92Å; N258-S260 PolarHBondContact O-OG 3.03Å

Retrieved 260 of 260 residues in 261.6 ms (Link to these results)

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