MFT2_ORYSJ Loading...

Protein MOTHER of FT and TFL1 homolog 2

May form complexes with phosphorylated ligands by interfering with kinases and their effectors.

AlphaFold DB , UniProt , Accession Q9ASJ1, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene MFT2, Length 174 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
1M44.1Very low75.5Confident202 Ų20291.4 Ų91.4100%0.99548%0.478SS*.  0-39.20-70.7-163.9-159.300113.1R3M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.87Å
2A49.1Very low76.9Confident58 Ų5897.3 Ų97.348%0.47949%0.489SS..G310 helixtrans-58.6-31.4-177.300000116.4F4 V5 D6A2-F4 PolarHBondContact O-N 3.14Å; A2-V5 VanDerWaalsContact O-CG2 3.23Å; A2-V5 WeakPolarHBondContact O-CG2 3.19Å; A2-V5 PolarHBondContact O-N 3.31Å; A2-D6 PolarHBondContact O-N 3.42Å; A2-D6 VanDerWaalsContact O-OD1 3.13Å
3R59.5Low78.3Confident220 Ų22089.8 Ų89.883%0.8345%0.452SS*.G310 helixtrans-54-26.8-171.9-70-171.9178.8177.6-0.4116.1M1 D6M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.87Å; R3-D6 WeakPolarHBondContact CA-OD2 3.37Å
4F65.4Low79.4Confident162 Ų16284.9 Ų84.971%0.71143%0.427SS*.G310 helixtrans-79.3-26.4-179.1-67.4-74.8000113.3A2 P23A2-F4 PolarHBondContact O-N 3.14Å; F4-P23 HydrophobicContact CB-CG 4.35Å
5V77.5Confident80.4Confident12 Ų1282.8 Ų82.87%0.07344%0.435CS..THydrogen-bonded Turntrans-101.4-13.5-177.9-67.30000113.2A2 P7 L8 V9 I14 L20 F21 P23A2-V5 VanDerWaalsContact O-CG2 3.23Å; A2-V5 WeakPolarHBondContact O-CG2 3.19Å; A2-V5 PolarHBondContact O-N 3.31Å; V5-P7 VanDerWaalsContact C-CD 3.46Å; V5-P7 VanDerWaalsContact C-N 3.33Å; V5-L8 HydrophobicContact CG1-CD1 4.5Å; V5-L8 WeakPolarHBondContact O-CA 3.19Å; V5-L8 WeakPolarHBondContact O-CB 3.06Å; V5-L8 PolarHBondContact O-N 3.05Å; V5-V9 PolarHBondContact O-N 2.63Å; V5-I14 HydrophobicContact CB-CD1 3.68Å; V5-I14 HydrophobicContact CG1-CD1 4.04Å; V5-L20 HydrophobicContact CG2-CD1 4.34Å; V5-F21 HydrophobicContact CG1-CE1 4.49Å; V5-P23 HydrophobicContact CG1-CG 3.93Å
6D81.8Confident81.3Confident78 Ų7880.4 Ų80.442%0.41742%0.421SS..Hα-helixtrans-49.6-45.2178.8-64.4-21.8000113.1A2 R3 L8 V9 V10A2-D6 PolarHBondContact O-N 3.42Å; A2-D6 VanDerWaalsContact O-OD1 3.13Å; R3-D6 WeakPolarHBondContact CA-OD2 3.37Å; D6-L8 VanDerWaalsContact C-N 3.27Å; D6-L8 PolarHBondContact O-N 3.12Å; D6-V9 PolarHBondContact O-N 3.31Å; D6-V10 WeakPolarHBondContact O-CG2 3.38Å; D6-V10 PolarHBondContact O-N 2.93Å
7P88.9Confident82.2Confident57 Ų5775.7 Ų75.737%0.3740%0.396SS..Hα-helixtrans-64.1-30.4177.2-22.135000113.7V5 G11 N38V5-P7 VanDerWaalsContact C-CD 3.46Å; V5-P7 VanDerWaalsContact C-N 3.33Å; P7-G11 PolarHBondContact O-N 2.95Å; P7-N38 HydrophobicContact CB-CB 3.73Å
8L92.4Very high83Confident3 Ų371.6 Ų71.62%0.01638%0.375CS..Hα-helixtrans-75.6-31.8178-62.4173000111.6V5 D6 R12 V13 I14 F21 N38 V160V5-L8 HydrophobicContact CG1-CD1 4.5Å; V5-L8 WeakPolarHBondContact O-CA 3.19Å; V5-L8 WeakPolarHBondContact O-CB 3.06Å; V5-L8 PolarHBondContact O-N 3.05Å; D6-L8 VanDerWaalsContact C-N 3.27Å; D6-L8 PolarHBondContact O-N 3.12Å; L8-R12 CarbonylContact O-C 3.53Å; L8-R12 PolarHBondContact O-N 2.93Å; L8-V13 HydrophobicContact CB-CB 4.38Å; L8-V13 HydrophobicContact CD2-CB 4.2Å; L8-V13 HydrophobicContact CD2-CG1 4.2Å; L8-V13 HydrophobicContact CD2-CG2 4.49Å; L8-V13 PolarHBondContact O-N 3.13Å; L8-I14 HydrophobicContact CB-CD1 3.66Å; L8-I14 HydrophobicContact CB-CG1 3.84Å; L8-I14 HydrophobicContact CD1-CD1 4.19Å; L8-I14 PolarHBondContact O-N 2.92Å; L8-I14 VanDerWaalsContact O-N 3.1Å; L8-F21 HydrophobicContact CD1-CE1 4.12Å; L8-F21 HydrophobicContact CD1-CZ 4.16Å; L8-N38 WeakPolarHBondContact CD2-OD1 3.49Å; L8-V160 HydrophobicContact CD1-CB 3.82Å; L8-V160 HydrophobicContact CD1-CG1 4.12Å; L8-V160 HydrophobicContact CD2-CB 4.34Å; L8-V160 HydrophobicContact CD2-CG1 3.79Å
9V91.6Very high83.7Confident72 Ų7271.9 Ų71.944%0.43638%0.377SS..Hα-helixtrans-70.3-45.5171.5179.40000110.2V5 D6 G11 R12 I14V5-V9 PolarHBondContact O-N 2.63Å; D6-V9 PolarHBondContact O-N 3.31Å; V9-G11 PolarHBondContact O-N 3.04Å; V9-R12 WeakPolarHBondContact O-CA 3.45Å; V9-R12 PolarHBondContact O-N 3.34Å; V9-I14 HydrophobicContact CG2-CB 4.15Å; V9-I14 HydrophobicContact CG2-CD1 4.01Å; V9-I14 HydrophobicContact CG2-CG2 4.24Å
10V89.6Confident84.2Confident123 Ų12374.3 Ų74.375%0.74539%0.389SS*.Hα-helixtrans-61.7-43.6177.51720000111.3D6 R12D6-V10 WeakPolarHBondContact O-CG2 3.38Å; D6-V10 PolarHBondContact O-N 2.93Å; V10-R12 PolarHBondContact O-N 3.38Å
11G90Very high84.7Confident18 Ų1871.1 Ų71.119%0.18637%0.373CS..THydrogen-bonded Turntrans-72.72.4173.200000114.3P7 V9 V13 R117P7-G11 PolarHBondContact O-N 2.95Å; V9-G11 PolarHBondContact O-N 3.04Å; G11-V13 PolarHBondContact O-N 2.61Å; G11-R117 VanDerWaalsContact O-CD 3.26Å; G11-R117 WeakPolarHBondContact O-CD 3.18Å; G11-R117 PolarHBondContact O-NH1 2.88Å
12R93.4Very high87.1Confident162 Ų16266.6 Ų66.661%0.61136%0.356SS*.THydrogen-bonded Turntrans53.717.7-175.8-55-179.2-178.6-178.7-0.4114.8L8 V9 V10 I14 E16L8-R12 CarbonylContact O-C 3.53Å; L8-R12 PolarHBondContact O-N 2.93Å; V9-R12 WeakPolarHBondContact O-CA 3.45Å; V9-R12 PolarHBondContact O-N 3.34Å; V10-R12 PolarHBondContact O-N 3.38Å; R12-I14 CarbonylContact C-O 3.52Å; R12-E16 HydrophobicContact CB-CG 4.15Å; R12-E16 WeakPolarHBondContact CD-OE1 3.46Å; R12-E16 WeakPolarHBondContact O-CB 3.47Å; R12-E16 VanDerWaalsContact O-CG 3.28Å; R12-E16 WeakPolarHBondContact O-CG 3.45Å; R12-E16 PolarHBondContact O-N 2.89Å
13V94.9Very high89.2Confident0 Ų066.4 Ų66.40%035%0.35CS..Hα-helixtrans-64.7-46.7174.9174.80000109.3L8 G11 V17 V18 V119 V160 H162L8-V13 HydrophobicContact CB-CB 4.38Å; L8-V13 HydrophobicContact CD2-CB 4.2Å; L8-V13 HydrophobicContact CD2-CG1 4.2Å; L8-V13 HydrophobicContact CD2-CG2 4.49Å; L8-V13 PolarHBondContact O-N 3.13Å; G11-V13 PolarHBondContact O-N 2.61Å; V13-V17 HydrophobicContact CG1-CB 4.33Å; V13-V17 WeakPolarHBondContact O-CB 3.43Å; V13-V17 PolarHBondContact O-N 2.98Å; V13-V18 HydrophobicContact CG1-CG2 4.38Å; V13-V18 PolarHBondContact O-N 3.33Å; V13-V18 VanDerWaalsContact O-N 3.13Å; V13-V119 HydrophobicContact CG1-CB 4.42Å; V13-V119 HydrophobicContact CG1-CG1 3.48Å; V13-V119 VanDerWaalsContact CG1-CG1 3.48Å; V13-V119 HydrophobicContact CG1-CG2 4.01Å; V13-V119 HydrophobicContact CG2-CG2 3.86Å; V13-V160 HydrophobicContact CG1-CG1 3.84Å; V13-H162 HydrophobicContact CG2-CB 4.08Å
14I93.7Very high90.9Very high22 Ų2259.7 Ų59.711%0.11334%0.336CS..Hα-helixtrans-72.6127.8164.6-68.4169.7000107.8V5 L8 V9 R12 V18 L20 F21V5-I14 HydrophobicContact CB-CD1 3.68Å; V5-I14 HydrophobicContact CG1-CD1 4.04Å; L8-I14 HydrophobicContact CB-CD1 3.66Å; L8-I14 HydrophobicContact CB-CG1 3.84Å; L8-I14 HydrophobicContact CD1-CD1 4.19Å; L8-I14 PolarHBondContact O-N 2.92Å; L8-I14 VanDerWaalsContact O-N 3.1Å; V9-I14 HydrophobicContact CG2-CB 4.15Å; V9-I14 HydrophobicContact CG2-CD1 4.01Å; V9-I14 HydrophobicContact CG2-CG2 4.24Å; R12-I14 CarbonylContact C-O 3.52Å; I14-V18 WeakPolarHBondContact CA-O 3.3Å; I14-V18 HydrophobicContact CG1-CG2 3.95Å; I14-L20 HydrophobicContact CD1-CD1 4.34Å; I14-L20 HydrophobicContact CG2-CB 4.31Å; I14-L20 HydrophobicContact CG2-CD1 4.39Å; I14-F21 HydrophobicContact CD1-CD1 4.49Å; I14-F21 HydrophobicContact CD1-CE1 4.26Å; I14-F21 HydrophobicContact CG1-CE1 4.44Å
15G93.7Very high92.3Very high53 Ų5353.2 Ų53.255%0.54631%0.309SS..Hα-helixtrans101.9-43.5-174.800000112.4V18 R146G15-V18 PolarHBondContact N-O 2.84Å; G15-R146 VanDerWaalsContact C-NH2 3.27Å; G15-R146 PolarHBondContact O-NH2 2.85Å
16E95.3Very high93.1Very high45 Ų4556.9 Ų56.921%0.2134%0.335CS..Hα-helixtrans-92.4-44.6179.2-65.9-176.8-173.500113.5R12 R81 R117 R146R12-E16 HydrophobicContact CB-CG 4.15Å; R12-E16 WeakPolarHBondContact CD-OE1 3.46Å; R12-E16 WeakPolarHBondContact O-CB 3.47Å; R12-E16 VanDerWaalsContact O-CG 3.28Å; R12-E16 WeakPolarHBondContact O-CG 3.45Å; R12-E16 PolarHBondContact O-N 2.89Å; E16-R81 IonicContact OE2-NH1 3.97Å; E16-R81 IonicContact OE2-NH2 3.79Å; E16-R117 IonicContact OE2-CZ 3.96Å; E16-R117 VanDerWaalsContact OE2-CZ 3.28Å; E16-R117 IonicContact OE2-NH1 3.65Å; E16-R117 PolarHBondContact OE2-NH1 3.02Å; E16-R117 IonicContact OE2-NH2 3.75Å; E16-R117 PolarHBondContact OE2-NH2 3.5Å; E16-R146 PolarHBondContact O-NH1 3.47Å
17V96.8Very high93.8Very high0 Ų054.4 Ų54.40%032%0.322CS..THydrogen-bonded Turntrans-103.7-48.4-175-178.60000111.3V13 T68 P70 E82 V119 V121 T145 R146V13-V17 HydrophobicContact CG1-CB 4.33Å; V13-V17 WeakPolarHBondContact O-CB 3.43Å; V13-V17 PolarHBondContact O-N 2.98Å; V17-T68 HydrophobicContact CG1-CG2 3.77Å; V17-P70 HydrophobicContact CG2-CB 3.72Å; V17-P70 HydrophobicContact CG2-CG 3.77Å; V17-E82 WeakPolarHBondContact CG1-OE2 3.42Å; V17-V119 HydrophobicContact CG1-CG1 4.29Å; V17-V119 HydrophobicContact CG2-CG2 4.22Å; V17-V121 HydrophobicContact CG1-CG2 4.32Å; V17-T145 HydrophobicContact CG1-CG2 4.45Å; V17-R146 WeakPolarHBondContact O-CG 3.38Å
18V96.8Very high94.2Very high1 Ų155.2 Ų55.21%0.00633%0.326CS..BIsolated β-bridgetrans-126.5160.2-177.8-610000111.5V13 I14 G15 F21 V121 R146 P157 V160V13-V18 HydrophobicContact CG1-CG2 4.38Å; V13-V18 PolarHBondContact O-N 3.33Å; V13-V18 VanDerWaalsContact O-N 3.13Å; I14-V18 WeakPolarHBondContact CA-O 3.3Å; I14-V18 HydrophobicContact CG1-CG2 3.95Å; G15-V18 PolarHBondContact N-O 2.84Å; V18-F21 HydrophobicContact CG2-CE1 4.39Å; V18-V121 HydrophobicContact CG1-CG1 3.8Å; V18-V121 HydrophobicContact CG1-CG2 3.83Å; V18-R146 PolarHBondContact O-NH2 2.8Å; V18-P157 HydrophobicContact CB-CG 3.88Å; V18-P157 HydrophobicContact CG1-CG 3.78Å; V18-P157 HydrophobicContact CG2-CG 4.48Å; V18-V160 HydrophobicContact CG1-CG2 4.49Å; V18-V160 HydrophobicContact CG2-CG2 4.35Å
19D94.8Very high94.5Very high78 Ų7855.2 Ų55.242%0.41733%0.326SS..  trans-80.8165.6171.1-60.5-31.9000111.3F21 R146 L156D19-F21 PolarHBondContact O-N 2.92Å; D19-R146 IonicContact OD1-CZ 3.59Å; D19-R146 IonicContact OD1-NE 2.93Å; D19-R146 PolarHBondContact OD1-NE 3.13Å; D19-R146 IonicContact OD1-NH2 2.86Å; D19-R146 PolarHBondContact OD1-NH2 3.23Å; D19-R146 IonicContact OD2-NE 2.72Å; D19-L156 HydrophobicContact CB-CD2 4.18Å
20L94.5Very high94.8Very high119 Ų11952 Ų5262%0.62331%0.307SS*.  trans-60.3130.6173.9-177.766000109.6V5 I14V5-L20 HydrophobicContact CG2-CD1 4.34Å; I14-L20 HydrophobicContact CD1-CD1 4.34Å; I14-L20 HydrophobicContact CG2-CB 4.31Å; I14-L20 HydrophobicContact CG2-CD1 4.39Å
21F95.1Very high95.1Very high9 Ų946.9 Ų46.94%0.03928%0.275CS..  trans-141.4167.6-178.573.5-77.3000110.3V5 L8 I14 V18 D19 P23 L156 P157 V160V5-F21 HydrophobicContact CG1-CE1 4.49Å; L8-F21 HydrophobicContact CD1-CE1 4.12Å; L8-F21 HydrophobicContact CD1-CZ 4.16Å; I14-F21 HydrophobicContact CD1-CD1 4.49Å; I14-F21 HydrophobicContact CD1-CE1 4.26Å; I14-F21 HydrophobicContact CG1-CE1 4.44Å; V18-F21 HydrophobicContact CG2-CE1 4.39Å; D19-F21 PolarHBondContact O-N 2.92Å; F21-P23 HydrophobicContact CD2-CG 4.38Å; F21-P23 HydrophobicContact CE2-CB 4.16Å; F21-P23 HydrophobicContact CE2-CG 3.76Å; F21-P23 HydrophobicContact CZ-CG 4.24Å; F21-L156 HydrophobicContact CB-CB 4.18Å; F21-L156 HydrophobicContact CB-CD1 4.48Å; F21-P157 HydrophobicContact CD1-CB 4.25Å; F21-P157 HydrophobicContact CD1-CG 4.25Å; F21-P157 HydrophobicContact CD2-CB 4.09Å; F21-P157 WeakPolarHBondContact CD2-O 3.38Å; F21-P157 HydrophobicContact CE1-CB 4.36Å; F21-P157 HydrophobicContact CE2-CB 4.17Å; F21-P157 HydrophobicContact CG-CB 4.13Å; F21-P157 HydrophobicContact CG-CG 4.36Å; F21-P157 HydrophobicContact CZ-CB 4.32Å; F21-V160 HydrophobicContact CE1-CB 4.15Å; F21-V160 HydrophobicContact CE1-CG2 3.67Å; F21-V160 HydrophobicContact CE2-CG2 4.44Å; F21-V160 HydrophobicContact CZ-CB 3.84Å; F21-V160 HydrophobicContact CZ-CG2 3.53Å
22V93.9Very high95.3Very high106 Ų10649.5 Ų49.564%0.64230%0.302SS*.  trans-106.6116.4171.7-179.40000107.5S24V22-S24 PolarHBondContact O-N 2.77Å
23P94.4Very high95.1Very high55 Ų5550.2 Ų50.236%0.35732%0.317SS..  trans-55.7125.9176.1-2533.2000111F4 V5 F21 T158F4-P23 HydrophobicContact CB-CG 4.35Å; V5-P23 HydrophobicContact CG1-CG 3.93Å; F21-P23 HydrophobicContact CD2-CG 4.38Å; F21-P23 HydrophobicContact CE2-CB 4.16Å; F21-P23 HydrophobicContact CE2-CG 3.76Å; F21-P23 HydrophobicContact CZ-CG 4.24Å; P23-T158 WeakPolarHBondContact CA-O 3.27Å
24S94.6Very high95Very high78 Ų7857 Ų5755%0.54534%0.343SS..  trans-110-22-175.859.60000113V22 T158V22-S24 PolarHBondContact O-N 2.77Å; S24-T158 PolarHBondContact N-O 3.26Å; S24-T158 VanDerWaalsContact OG-CB 3.27Å; S24-T158 WeakPolarHBondContact OG-CB 3.36Å; S24-T158 WeakPolarHBondContact OG-CG2 3.32Å
25I94.4Very high95Very high27 Ų2761.8 Ų61.814%0.13837%0.369CS..SBendtrans-135.1158175.867173.8000111S56 Y63 L122 A159I25-S56 WeakPolarHBondContact CB-OG 3.49Å; I25-Y63 HydrophobicContact CD1-CD1 3.73Å; I25-Y63 HydrophobicContact CD1-CE1 3.28Å; I25-Y63 HydrophobicContact CD1-CE2 4.43Å; I25-L122 HydrophobicContact CD1-CD2 3.41Å; I25-L122 VanDerWaalsContact CD1-CD2 3.41Å; I25-L122 HydrophobicContact CD1-CG 4.43Å; I25-L122 HydrophobicContact CG1-CD2 4.08Å; I25-A159 HydrophobicContact CG1-CB 4.47Å
26S95.1Very high95.1Very high89 Ų8960 Ų6062%0.62235%0.347SS*.  trans-84.1134.7172.4-60.30000110.8S56S26-S56 PolarHBondContact N-OG 2.94Å; S26-S56 PolarHBondContact O-N 2.77Å; S26-S56 PolarHBondContact O-OG 3.08Å
27M96.9Very high95Very high26 Ų2661.4 Ų61.413%0.12836%0.361CS..EExtended strand (participates in β ladder)trans-128.2133.1170.6178.4-179.364.800108.5V53 R54 I55 L65 L120 L122 A159 V161M27-V53 HydrophobicContact CG-CG1 3.69Å; M27-V53 HydrophobicContact SD-CG1 3.78Å; M27-R54 WeakPolarHBondContact CA-O 3.43Å; M27-I55 HydrophobicContact CB-CG2 4.42Å; M27-I55 HydrophobicContact CG-CG2 4.11Å; M27-L65 HydrophobicContact SD-CD1 3.92Å; M27-L120 HydrophobicContact CE-CB 4.29Å; M27-L122 HydrophobicContact CB-CD2 4.21Å; M27-L122 HydrophobicContact CG-CD2 4.43Å; M27-L122 HydrophobicContact SD-CB 3.83Å; M27-L122 HydrophobicContact SD-CD2 4.15Å; M27-L122 HydrophobicContact SD-CG 4.43Å; M27-A159 HydrophobicContact CB-CB 3.64Å; M27-A159 HydrophobicContact CE-CB 4.19Å; M27-V161 HydrophobicContact CE-CB 4.11Å; M27-V161 HydrophobicContact CE-CG1 3.7Å
28T97.2Very high94.8Very high74 Ų7463.8 Ų63.845%0.45437%0.374SS..EExtended strand (participates in β ladder)trans-123.5134.5172.658.10000108.8V53 R54T28-V53 CarbonylContact O-C 3.54Å; T28-V53 VanDerWaalsContact O-CA 3.32Å; T28-V53 WeakPolarHBondContact O-CA 3.43Å; T28-R54 PolarHBondContact N-O 3.21Å; T28-R54 PolarHBondContact O-N 3Å
29A97.9Very high94.6Very high2 Ų265 Ų652%0.01739%0.387CS..EExtended strand (participates in β ladder)trans-123.4140.2176.100000109.3I36 L52 V53 L120 V161A29-I36 HydrophobicContact CB-CB 4.32Å; A29-I36 HydrophobicContact CB-CD1 3.81Å; A29-I36 HydrophobicContact CB-CG1 4.46Å; A29-I36 VanDerWaalsContact O-CB 3.29Å; A29-I36 WeakPolarHBondContact O-CB 3.08Å; A29-I36 WeakPolarHBondContact O-CG1 3.43Å; A29-I36 PolarHBondContact O-N 2.81Å; A29-L52 WeakPolarHBondContact CA-O 3.41Å; A29-V53 HydrophobicContact CB-CG2 3.94Å; A29-L120 HydrophobicContact CB-CD1 3.71Å; A29-V161 HydrophobicContact CB-CG1 4.25Å
30A98Very high94.6Very high6 Ų662.5 Ų62.55%0.0538%0.376CS..EExtended strand (participates in β ladder)trans-141.9141.7-179.900000112R34 D35 P51 L52A30-R34 CarbonylContact C-O 3.54Å; A30-R34 VanDerWaalsContact CA-O 3.23Å; A30-R34 WeakPolarHBondContact CA-O 3.42Å; A30-D35 WeakPolarHBondContact CB-OD1 3.19Å; A30-P51 CarbonylContact O-C 3.57Å; A30-P51 VanDerWaalsContact O-CA 3.23Å; A30-P51 WeakPolarHBondContact O-CA 3.32Å; A30-P51 WeakPolarHBondContact O-CB 3.27Å; A30-L52 PolarHBondContact N-O 2.88Å; A30-L52 PolarHBondContact O-N 2.84Å
31Y96.9Very high94.7Very high15 Ų1561 Ų616%0.05937%0.367CS..EExtended strand (participates in β ladder)trans-106.4110.6167.6-71.3-73.1000108.7D33 R34 I36 V42 A47 Y49 P51 Y106 F163Y31-D33 PolarHBondContact O-N 3.09Å; Y31-R34 PolarHBondContact N-O 2.96Å; Y31-R34 WeakPolarHBondContact O-CB 3.44Å; Y31-R34 PolarHBondContact O-N 3.23Å; Y31-R34 VanDerWaalsContact O-N 3.11Å; Y31-I36 HydrophobicContact CD2-CD1 3.51Å; Y31-I36 HydrophobicContact CD2-CG1 4.05Å; Y31-I36 HydrophobicContact CE2-CD1 3.39Å; Y31-I36 HydrophobicContact CE2-CG1 4.33Å; Y31-V42 HydrophobicContact CD2-CG1 3.77Å; Y31-V42 HydrophobicContact CD2-CG2 4.29Å; Y31-V42 HydrophobicContact CE2-CG1 4.12Å; Y31-V42 HydrophobicContact CG-CG1 4.44Å; Y31-A47 HydrophobicContact CD1-CB 3.94Å; Y31-A47 HydrophobicContact CD2-CB 4.27Å; Y31-A47 HydrophobicContact CE1-CB 3.56Å; Y31-A47 HydrophobicContact CE2-CB 3.92Å; Y31-A47 HydrophobicContact CG-CB 4.29Å; Y31-Y49 VanDerWaalsContact CE1-O 3.24Å; Y31-Y49 WeakPolarHBondContact CE1-O 3.36Å; Y31-P51 HydrophobicContact CD1-CB 3.9Å; Y31-P51 HydrophobicContact CD2-CB 4.36Å; Y31-P51 HydrophobicContact CE1-CB 3.61Å; Y31-P51 HydrophobicContact CE1-CG 3.91Å; Y31-P51 HydrophobicContact CE2-CB 4.11Å; Y31-P51 HydrophobicContact CE2-CG 4.47Å; Y31-P51 HydrophobicContact CG-CB 4.27Å; Y31-Y106 WeakPolarHBondContact CE1-OH 3.37Å; Y31-Y106 PolarHBondContact OH-OH 3Å; Y31-F163 HydrophobicContact CE2-CD1 4.2Å; Y31-F163 AromaticContact CE2-CE1 3.66Å; Y31-F163 HydrophobicContact CE2-CE1 3.66Å; Y31-F163 HydrophobicContact CE2-CE2 4.3Å; Y31-F163 AromaticContact CE2-CZ 3.7Å; Y31-F163 HydrophobicContact CE2-CZ 3.7Å; Y31-F163 AromaticContact CZ-CZ 3.94Å; Y31-F163 WeakPolarHBondContact OH-CE1 3.1Å; Y31-F163 WeakPolarHBondContact OH-CZ 3.22Å
32G92.2Very high94.8Very high73 Ų7360.7 Ų60.775%0.75337%0.366SS*.THydrogen-bonded Turntrans57.3-130-16900000111R34G32-R34 PolarHBondContact O-N 2.96Å
33D89.8Confident94.8Very high177 Ų17763.9 Ų63.995%0.94737%0.367SS*.THydrogen-bonded Turntrans-83.58.8179.2-56.6-39.2000113.6Y31Y31-D33 PolarHBondContact O-N 3.09Å
34R92.4Very high94.9Very high143 Ų14362.4 Ų62.454%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-110107.4-173.7-163.6-179.4-150.8-155.7-0.2111.9A30 Y31 G32 L41A30-R34 CarbonylContact C-O 3.54Å; A30-R34 VanDerWaalsContact CA-O 3.23Å; A30-R34 WeakPolarHBondContact CA-O 3.42Å; Y31-R34 PolarHBondContact N-O 2.96Å; Y31-R34 WeakPolarHBondContact O-CB 3.44Å; Y31-R34 PolarHBondContact O-N 3.23Å; Y31-R34 VanDerWaalsContact O-N 3.11Å; G32-R34 PolarHBondContact O-N 2.96Å; R34-L41 PolarHBondContact NH1-O 2.81Å
35D95Very high94.9Very high121 Ų12162.3 Ų62.365%0.64736%0.356SS*.EExtended strand (participates in β ladder)trans-64.8142.2170-70.4-26000111.6A30A30-D35 WeakPolarHBondContact CB-OD1 3.19Å
36I95Very high95Very high16 Ų1663.8 Ų63.88%0.08237%0.373CS..  trans-92126.6176.5-62.2172.4000108.9A29 Y31 P51 V161 F163A29-I36 HydrophobicContact CB-CB 4.32Å; A29-I36 HydrophobicContact CB-CD1 3.81Å; A29-I36 HydrophobicContact CB-CG1 4.46Å; A29-I36 VanDerWaalsContact O-CB 3.29Å; A29-I36 WeakPolarHBondContact O-CB 3.08Å; A29-I36 WeakPolarHBondContact O-CG1 3.43Å; A29-I36 PolarHBondContact O-N 2.81Å; Y31-I36 HydrophobicContact CD2-CD1 3.51Å; Y31-I36 HydrophobicContact CD2-CG1 4.05Å; Y31-I36 HydrophobicContact CE2-CD1 3.39Å; Y31-I36 HydrophobicContact CE2-CG1 4.33Å; I36-P51 HydrophobicContact CD1-CB 4.38Å; I36-V161 HydrophobicContact CG2-CG1 4.46Å; I36-V161 HydrophobicContact CG2-CG2 3.94Å; I36-F163 HydrophobicContact CD1-CD1 3.93Å; I36-F163 HydrophobicContact CD1-CE1 4.33Å; I36-F163 HydrophobicContact CG2-CB 3.79Å; I36-F163 HydrophobicContact CG2-CD1 4.24Å; I36-F163 HydrophobicContact CG2-CG 4.46Å
37S92.9Very high95Very high74 Ų7459.5 Ų59.552%0.51734%0.343SS..  trans-117.4154.516766.60000109.8G39 C40S37-G39 PolarHBondContact O-N 3.36Å; S37-C40 WeakPolarHBondContact O-CB 3.47Å; S37-C40 PolarHBondContact O-N 2.79Å; S37-C40 PolarHBondContact O-SG 2.95Å
38N93.5Very high94.9Very high50 Ų5062.4 Ų62.427%0.26736%0.359SS..THydrogen-bonded Turntrans-47.9116.5179-77.9-50000112.6P7 L8 V161 H162P7-N38 HydrophobicContact CB-CB 3.73Å; L8-N38 WeakPolarHBondContact CD2-OD1 3.49Å; N38-V161 WeakPolarHBondContact OD1-CA 3.12Å; N38-H162 CarbonylContact C-O 3.49Å; N38-H162 VanDerWaalsContact CA-O 3.23Å; N38-H162 WeakPolarHBondContact CA-O 3.28Å; N38-H162 PolarHBondContact OD1-N 3.19Å; N38-H162 PolarHBondContact OD1-ND1 2.69Å
39G93.3Very high94.9Very high28 Ų2867.3 Ų67.329%0.28937%0.37SS..THydrogen-bonded Turntrans81.53.5177.700000115.8S37 H162 N164S37-G39 PolarHBondContact O-N 3.36Å; G39-H162 PolarHBondContact N-CE1 2.84Å; G39-H162 PolarHBondContact N-NE2 3.35Å; G39-H162 PolarHBondContact N-O 2.95Å; G39-N164 PolarHBondContact O-ND2 2.8Å
40C94.5Very high94.9Very high25 Ų2570.1 Ų70.117%0.16939%0.389CS..EExtended strand (participates in β ladder)trans-63.9142.6177.275.10000110.9S37 F163 N164S37-C40 WeakPolarHBondContact O-CB 3.47Å; S37-C40 PolarHBondContact O-N 2.79Å; S37-C40 PolarHBondContact O-SG 2.95Å; C40-F163 WeakPolarHBondContact O-CA 3.39Å; C40-F163 WeakPolarHBondContact O-CB 3.39Å; C40-N164 PolarHBondContact O-N 2.92Å
41L95.7Very high94.9Very high86 Ų8670.1 Ų70.145%0.4539%0.388SS..EExtended strand (participates in β ladder)trans-81.2120.1178.1-177.268.5000110.5R34 N164 Q166R34-L41 PolarHBondContact NH1-O 2.81Å; L41-N164 CarbonylContact C-O 3.59Å; L41-N164 WeakPolarHBondContact CA-O 3.48Å; L41-N164 HydrophobicContact CD1-CB 4.45Å; L41-Q166 HydrophobicContact CD1-CG 4.33Å
42V96.5Very high94.9Very high3 Ų372.7 Ų72.72%0.01840%0.402CS..  trans-110.7136.2172.3-179.10000108.9Y31 A46 A47 F163 N164 S165Y31-V42 HydrophobicContact CD2-CG1 3.77Å; Y31-V42 HydrophobicContact CD2-CG2 4.29Å; Y31-V42 HydrophobicContact CE2-CG1 4.12Å; Y31-V42 HydrophobicContact CG-CG1 4.44Å; V42-A46 HydrophobicContact CG1-CB 4.39Å; V42-A47 HydrophobicContact CG1-CB 3.95Å; V42-F163 HydrophobicContact CB-CD2 3.54Å; V42-F163 HydrophobicContact CB-CE2 3.91Å; V42-F163 HydrophobicContact CB-CG 4.27Å; V42-F163 HydrophobicContact CG1-CD2 4.41Å; V42-F163 HydrophobicContact CG1-CE2 4.35Å; V42-F163 HydrophobicContact CG2-CB 3.86Å; V42-F163 HydrophobicContact CG2-CD2 3.64Å; V42-F163 HydrophobicContact CG2-CE2 4.34Å; V42-F163 HydrophobicContact CG2-CG 3.85Å; V42-N164 PolarHBondContact N-O 3.25Å; V42-S165 WeakPolarHBondContact O-CA 3.15Å; V42-S165 VanDerWaalsContact O-CB 3.22Å; V42-S165 WeakPolarHBondContact O-CB 3.39Å; V42-S165 PolarHBondContact O-OG 3.42Å
43R95.2Very high95.2Very high174 Ų17469.2 Ų69.266%0.65737%0.367SS*.  trans-74.7133.6176-85.6-174.3-167.1135.42.5109.9S45 A46 A47 E168R43-S45 PolarHBondContact O-N 3.49Å; R43-A46 HydrophobicContact CB-CB 4.1Å; R43-A46 WeakPolarHBondContact O-CA 3.49Å; R43-A46 WeakPolarHBondContact O-CB 3.45Å; R43-A46 PolarHBondContact O-N 2.94Å; R43-A47 PolarHBondContact O-N 3.35Å; R43-E168 VanDerWaalsContact CB-OE1 3.23Å; R43-E168 WeakPolarHBondContact CB-OE1 3.25Å
44P96Very high95.6Very high23 Ų2367.2 Ų67.215%0.14935%0.346CS..G310 helixtrans-45.3-44.5171.7-31.134.3000113.6A46 A47 D48 P111 S165 Q166 E168P44-A46 VanDerWaalsContact C-N 3.26Å; P44-A46 PolarHBondContact O-N 2.96Å; P44-A47 CarbonylContact O-C 3.53Å; P44-A47 PolarHBondContact O-N 3.49Å; P44-D48 PolarHBondContact O-N 2.78Å; P44-P111 HydrophobicContact CG-CG 4.19Å; P44-S165 VanDerWaalsContact CD-OG 3.26Å; P44-S165 WeakPolarHBondContact CD-OG 3.44Å; P44-S165 WeakPolarHBondContact CG-OG 3.23Å; P44-Q166 WeakPolarHBondContact CD-O 3.43Å; P44-Q166 VanDerWaalsContact CG-O 3.29Å; P44-Q166 WeakPolarHBondContact CG-O 3.46Å; P44-E168 HydrophobicContact CB-CG 4.4Å; P44-E168 HydrophobicContact CG-CG 4Å
45S95Very high95.9Very high76 Ų7660.8 Ų60.853%0.53132%0.322SS..G310 helixtrans-64.6-26.7178.858.20000114.2R43 A47 E168R43-S45 PolarHBondContact O-N 3.49Å; S45-A47 VanDerWaalsContact C-N 3.33Å; S45-E168 VanDerWaalsContact CB-OE1 3.27Å; S45-E168 WeakPolarHBondContact CB-OE1 3.47Å; S45-E168 PolarHBondContact N-OE1 3.36Å; S45-E168 PolarHBondContact OG-OE1 3.43Å; S45-E168 PolarHBondContact OG-OE2 3.14Å
46A95.2Very high96Very high58 Ų5857.3 Ų57.348%0.47931%0.307SS..G310 helixtrans-82-15.817600000112.6V42 R43 P44V42-A46 HydrophobicContact CG1-CB 4.39Å; R43-A46 HydrophobicContact CB-CB 4.1Å; R43-A46 WeakPolarHBondContact O-CA 3.49Å; R43-A46 WeakPolarHBondContact O-CB 3.45Å; R43-A46 PolarHBondContact O-N 2.94Å; P44-A46 VanDerWaalsContact C-N 3.26Å; P44-A46 PolarHBondContact O-N 2.96Å
47A96.5Very high95.9Very high0 Ų058.1 Ų58.10%032%0.319CS..G310 helixtrans-113.732.3-179.700000111.5Y31 V42 R43 P44 S45 Y49 Y106 G108 P109Y31-A47 HydrophobicContact CD1-CB 3.94Å; Y31-A47 HydrophobicContact CD2-CB 4.27Å; Y31-A47 HydrophobicContact CE1-CB 3.56Å; Y31-A47 HydrophobicContact CE2-CB 3.92Å; Y31-A47 HydrophobicContact CG-CB 4.29Å; V42-A47 HydrophobicContact CG1-CB 3.95Å; R43-A47 PolarHBondContact O-N 3.35Å; P44-A47 CarbonylContact O-C 3.53Å; P44-A47 PolarHBondContact O-N 3.49Å; S45-A47 VanDerWaalsContact C-N 3.33Å; A47-Y49 VanDerWaalsContact C-N 3.28Å; A47-Y106 PolarHBondContact O-OH 3.11Å; A47-G108 VanDerWaalsContact O-CA 3.32Å; A47-G108 WeakPolarHBondContact O-CA 3.29Å; A47-P109 HydrophobicContact CB-CG 3.84Å; A47-P109 VanDerWaalsContact O-CD 3.29Å; A47-P109 WeakPolarHBondContact O-CD 3.45Å
48D94.4Very high96Very high87 Ų8763.7 Ų63.747%0.46533%0.329SS..SBendtrans-74.3-24.6176.6-156.238.6000111.7P44P44-D48 PolarHBondContact O-N 2.78Å
49Y96.7Very high95.8Very high177 Ų17771.7 Ų71.769%0.69436%0.355SS*.SBendtrans-114.4155.9175.3-62.7-73.9000111.1Y31 A47Y31-Y49 VanDerWaalsContact CE1-O 3.24Å; Y31-Y49 WeakPolarHBondContact CE1-O 3.36Å; A47-Y49 VanDerWaalsContact C-N 3.28Å
50P97.8Very high95.8Very high61 Ų6177.6 Ų77.640%0.39638%0.381SS..  trans-54.9142.8179.6-13.817.4000112.9W86 Y106P50-W86 HydrophobicContact CB-CH2 3.97Å; P50-W86 HydrophobicContact CB-CZ2 3.89Å; P50-W86 HydrophobicContact CB-CZ3 4.44Å; P50-Y106 HydrophobicContact CB-CD1 4.28Å; P50-Y106 HydrophobicContact CB-CD2 3.86Å; P50-Y106 HydrophobicContact CB-CE2 4.33Å; P50-Y106 HydrophobicContact CB-CG 3.83Å; P50-Y106 HydrophobicContact CG-CD1 3.89Å; P50-Y106 HydrophobicContact CG-CD2 4.2Å; P50-Y106 HydrophobicContact CG-CG 3.63Å
51P98Very high95.9Very high5 Ų578.3 Ų78.33%0.03238%0.383CS..  trans-69.5150.2173.928.4-30.5000110.6A30 Y31 I36 V53 W86 L120A30-P51 CarbonylContact O-C 3.57Å; A30-P51 VanDerWaalsContact O-CA 3.23Å; A30-P51 WeakPolarHBondContact O-CA 3.32Å; A30-P51 WeakPolarHBondContact O-CB 3.27Å; Y31-P51 HydrophobicContact CD1-CB 3.9Å; Y31-P51 HydrophobicContact CD2-CB 4.36Å; Y31-P51 HydrophobicContact CE1-CB 3.61Å; Y31-P51 HydrophobicContact CE1-CG 3.91Å; Y31-P51 HydrophobicContact CE2-CB 4.11Å; Y31-P51 HydrophobicContact CE2-CG 4.47Å; Y31-P51 HydrophobicContact CG-CB 4.27Å; I36-P51 HydrophobicContact CD1-CB 4.38Å; P51-V53 HydrophobicContact CB-CG2 4.31Å; P51-V53 HydrophobicContact CG-CG2 3.92Å; P51-V53 PolarHBondContact O-N 3.04Å; P51-V53 VanDerWaalsContact O-N 3.13Å; P51-W86 HydrophobicContact CG-CZ3 4.14Å; P51-L120 HydrophobicContact CG-CD1 4.32Å
52L98.1Very high96Very high69 Ų6975.5 Ų75.536%0.36137%0.368SS..EExtended strand (participates in β ladder)trans-74.4103.6167179.156000109A29 A30 R54 D96A29-L52 WeakPolarHBondContact CA-O 3.41Å; A30-L52 PolarHBondContact N-O 2.88Å; A30-L52 PolarHBondContact O-N 2.84Å; L52-R54 VanDerWaalsContact CD2-NH2 3.3Å; L52-R54 HydrophobicContact CG-CG 4.37Å; L52-D96 HydrophobicContact CD1-CB 4.12Å
53V98.5Very high96.1Very high1 Ų175.5 Ų75.51%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-101.7109.7178.6-175.20000109.6M27 T28 A29 P51 I55 L65 W86 D96 A97M27-V53 HydrophobicContact CG-CG1 3.69Å; M27-V53 HydrophobicContact SD-CG1 3.78Å; T28-V53 CarbonylContact O-C 3.54Å; T28-V53 VanDerWaalsContact O-CA 3.32Å; T28-V53 WeakPolarHBondContact O-CA 3.43Å; A29-V53 HydrophobicContact CB-CG2 3.94Å; P51-V53 HydrophobicContact CB-CG2 4.31Å; P51-V53 HydrophobicContact CG-CG2 3.92Å; P51-V53 PolarHBondContact O-N 3.04Å; P51-V53 VanDerWaalsContact O-N 3.13Å; V53-I55 HydrophobicContact CG1-CG2 4.35Å; V53-L65 HydrophobicContact CB-CD2 3.96Å; V53-L65 HydrophobicContact CG1-CD1 4.23Å; V53-L65 HydrophobicContact CG1-CD2 3.97Å; V53-L65 HydrophobicContact CG2-CD2 3.78Å; V53-W86 HydrophobicContact CG2-CZ3 4.04Å; V53-D96 CarbonylContact O-C 3.38Å; V53-D96 WeakPolarHBondContact O-CA 3.27Å; V53-D96 WeakPolarHBondContact O-CB 3.41Å; V53-A97 HydrophobicContact CB-CB 4.13Å; V53-A97 PolarHBondContact O-N 2.97Å
54R98.2Very high96.2Very high134 Ų13467.2 Ų67.251%0.50634%0.336SS..EExtended strand (participates in β ladder)trans-100140.5173.7-61.1-178.8172.9106.9-6.2110.4M27 T28 L52 D96M27-R54 WeakPolarHBondContact CA-O 3.43Å; T28-R54 PolarHBondContact N-O 3.21Å; T28-R54 PolarHBondContact O-N 3Å; L52-R54 VanDerWaalsContact CD2-NH2 3.3Å; L52-R54 HydrophobicContact CG-CG 4.37Å; R54-D96 HydrophobicContact CG-CB 4.09Å
55I98Very high96.3Very high9 Ų966.1 Ų66.15%0.04633%0.329CS..EExtended strand (participates in β ladder)trans-126.7141.4-179.566.9172.5000110.6M27 V53 Y63 I91 G94 T95 L122M27-I55 HydrophobicContact CB-CG2 4.42Å; M27-I55 HydrophobicContact CG-CG2 4.11Å; V53-I55 HydrophobicContact CG1-CG2 4.35Å; I55-Y63 HydrophobicContact CD1-CD2 3.38Å; I55-Y63 HydrophobicContact CD1-CE2 4.09Å; I55-Y63 HydrophobicContact CD1-CG 3.7Å; I55-I91 HydrophobicContact CD1-CB 4.28Å; I55-I91 HydrophobicContact CD1-CG2 3.64Å; I55-I91 HydrophobicContact CG1-CG2 4.31Å; I55-G94 CarbonylContact O-C 3.57Å; I55-G94 WeakPolarHBondContact O-CA 3.22Å; I55-G94 PolarHBondContact O-N 3.38Å; I55-T95 PolarHBondContact N-O 2.87Å; I55-T95 PolarHBondContact O-N 3.38Å; I55-L122 HydrophobicContact CB-CD2 4.11Å; I55-L122 HydrophobicContact CG2-CD1 4.08Å; I55-L122 HydrophobicContact CG2-CD2 3.48Å; I55-L122 VanDerWaalsContact CG2-CD2 3.48Å; I55-L122 HydrophobicContact CG2-CG 4.47Å
56S97Very high96.4Very high47 Ų4762.5 Ų62.533%0.32930%0.304SS..  trans-76.8-179.1161.469.60000110.2I25 S26I25-S56 WeakPolarHBondContact CB-OG 3.49Å; S26-S56 PolarHBondContact N-OG 2.94Å; S26-S56 PolarHBondContact O-N 2.77Å; S26-S56 PolarHBondContact O-OG 3.08Å
57G93.6Very high96.6Very high33 Ų3359.8 Ų59.834%0.3428%0.281SS..SBendtrans128.8175.2178.600000111.5
58R94.3Very high96.7Very high192 Ų19259.8 Ų59.873%0.72528%0.281SS*.  trans-87.1145.6178.4-49.6171.6172.7178.1-1.4109N60 D61 G93R58-N60 PolarHBondContact O-N 2.9Å; R58-D61 WeakPolarHBondContact CB-OD2 3.39Å; R58-D61 WeakPolarHBondContact CG-OD2 3.37Å; R58-D61 PolarHBondContact N-OD2 3.16Å; R58-D61 WeakPolarHBondContact O-CB 3.23Å; R58-D61 PolarHBondContact O-N 3.26Å; R58-G93 VanDerWaalsContact O-CA 3.3Å; R58-G93 WeakPolarHBondContact O-CA 3.23Å
59R89.5Confident96.9Very high217 Ų21755.8 Ų55.882%0.81926%0.26SS*.THydrogen-bonded Turntrans-59.5-22.2-177.8-70.8-176.5176.9-179.2-0.6114.8G93R59-G93 WeakPolarHBondContact CA-O 3.13Å
60N93.6Very high96.9Very high153 Ų15347.4 Ų47.482%0.81823%0.227SC*.THydrogen-bonded Turntrans-89.3-12179.4-64.2-3.2000112.6R58R58-N60 PolarHBondContact O-N 2.9Å
61D96.5Very high96.9Very high40 Ų4044.9 Ų44.921%0.21421%0.21CC..  trans-85.9144.9177.4-51.3-20.7000108.3R58 Y63 G93R58-D61 WeakPolarHBondContact CB-OD2 3.39Å; R58-D61 WeakPolarHBondContact CG-OD2 3.37Å; R58-D61 PolarHBondContact N-OD2 3.16Å; R58-D61 WeakPolarHBondContact O-CB 3.23Å; R58-D61 PolarHBondContact O-N 3.26Å; D61-Y63 HydrophobicContact CB-CE2 3.81Å; D61-G93 PolarHBondContact O-N 3.12Å
62L97.2Very high96.9Very high27 Ų2745 Ų4514%0.14121%0.211CC..EExtended strand (participates in β ladder)trans-116.7148.6179.4-67.1172.7000109.7I91 Q125 R128L62-I91 CarbonylContact C-O 3.47Å; L62-I91 WeakPolarHBondContact CA-O 3.35Å; L62-Q125 HydrophobicContact CB-CB 3.99Å; L62-Q125 WeakPolarHBondContact O-CB 3.17Å; L62-Q125 PolarHBondContact O-N 2.72Å; L62-R128 VanDerWaalsContact CD1-CA 3.45Å; L62-R128 HydrophobicContact CD1-CB 3.53Å; L62-R128 HydrophobicContact CD1-CG 3.8Å
63Y97.9Very high96.8Very high2 Ų243.8 Ų43.81%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-133.6150.3-176.4-60.6-90.4000112.8I25 I55 D61 V89 N90 I91 L122 Y123 E124 Q125I25-Y63 HydrophobicContact CD1-CD1 3.73Å; I25-Y63 HydrophobicContact CD1-CE1 3.28Å; I25-Y63 HydrophobicContact CD1-CE2 4.43Å; I55-Y63 HydrophobicContact CD1-CD2 3.38Å; I55-Y63 HydrophobicContact CD1-CE2 4.09Å; I55-Y63 HydrophobicContact CD1-CG 3.7Å; D61-Y63 HydrophobicContact CB-CE2 3.81Å; Y63-V89 CarbonylContact O-C 3.49Å; Y63-N90 PolarHBondContact O-N 2.98Å; Y63-I91 PolarHBondContact N-O 3.38Å; Y63-I91 WeakPolarHBondContact O-CB 3.37Å; Y63-I91 WeakPolarHBondContact O-CG1 3.39Å; Y63-I91 PolarHBondContact O-N 3.41Å; Y63-L122 HydrophobicContact CD1-CD2 4.42Å; Y63-L122 HydrophobicContact CD1-CG 4.28Å; Y63-Y123 CarbonylContact C-O 3.58Å; Y63-Y123 WeakPolarHBondContact CA-O 3.34Å; Y63-Y123 WeakPolarHBondContact CB-O 3.24Å; Y63-Y123 WeakPolarHBondContact CD1-O 3.33Å; Y63-E124 HydrophobicContact CD1-CB 4Å; Y63-E124 HydrophobicContact CD1-CG 4.38Å; Y63-E124 HydrophobicContact CE1-CB 3.74Å; Y63-E124 HydrophobicContact CE1-CG 3.86Å; Y63-Q125 PolarHBondContact O-OE1 3.2Å
64T97.3Very high96.7Very high0 Ų044.7 Ų44.70%021%0.214CC..EExtended strand (participates in β ladder)trans-112125.2171.9-60.40000109.5I66 I87 V88 V89 L122 Y123 Q125 F148 L154T64-I66 HydrophobicContact CG2-CG1 4.11Å; T64-I87 HydrophobicContact CG2-CG2 4.23Å; T64-V88 CarbonylContact C-O 3.57Å; T64-V88 WeakPolarHBondContact CA-O 3.38Å; T64-V89 HydrophobicContact CG2-CG1 3.89Å; T64-L122 CarbonylContact O-C 3.59Å; T64-L122 WeakPolarHBondContact O-CA 3.23Å; T64-Y123 PolarHBondContact N-O 3.3Å; T64-Y123 PolarHBondContact O-N 2.97Å; T64-Q125 WeakPolarHBondContact OG1-CG 3.41Å; T64-Q125 PolarHBondContact OG1-OE1 2.92Å; T64-F148 HydrophobicContact CG2-CE1 4.19Å; T64-L154 HydrophobicContact CG2-CD1 4.23Å
65L98.5Very high96.6Very high1 Ų140.5 Ų40.51%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-103.2132.1172.1179.669.5000109.8M27 V53 W86 I87 V88 I91 A97 L120 V121 L122M27-L65 HydrophobicContact SD-CD1 3.92Å; V53-L65 HydrophobicContact CB-CD2 3.96Å; V53-L65 HydrophobicContact CG1-CD1 4.23Å; V53-L65 HydrophobicContact CG1-CD2 3.97Å; V53-L65 HydrophobicContact CG2-CD2 3.78Å; L65-W86 HydrophobicContact CD2-CE3 3.78Å; L65-W86 HydrophobicContact CD2-CH2 3.99Å; L65-W86 HydrophobicContact CD2-CZ3 3.37Å; L65-I87 WeakPolarHBondContact O-CA 3.35Å; L65-V88 HydrophobicContact CB-CB 4.48Å; L65-V88 PolarHBondContact N-O 3.44Å; L65-V88 PolarHBondContact O-N 3.23Å; L65-I91 HydrophobicContact CB-CD1 3.7Å; L65-A97 HydrophobicContact CD2-CB 4Å; L65-L120 HydrophobicContact CD1-CB 4.28Å; L65-L120 HydrophobicContact CD1-CD2 4.04Å; L65-L120 HydrophobicContact CD2-CD2 4.33Å; L65-L120 HydrophobicContact CG-CD2 4.31Å; L65-V121 WeakPolarHBondContact CA-O 3.34Å; L65-L122 HydrophobicContact CB-CD1 4.19Å; L65-L122 HydrophobicContact CD1-CD1 4.3Å
66I98.3Very high96.5Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-123.6132.7174.9-59.1177000108.6T64 L84 W86 I87 L120 V121 Y123 F143 T145 F148T64-I66 HydrophobicContact CG2-CG1 4.11Å; I66-L84 HydrophobicContact CG2-CD1 3.94Å; I66-W86 CarbonylContact C-O 3.57Å; I66-W86 WeakPolarHBondContact CA-O 3.44Å; I66-I87 HydrophobicContact CG1-CG1 4.37Å; I66-L120 CarbonylContact O-C 3.52Å; I66-L120 VanDerWaalsContact O-CA 3.3Å; I66-L120 WeakPolarHBondContact O-CA 3.31Å; I66-V121 PolarHBondContact N-O 3.22Å; I66-V121 PolarHBondContact O-N 3.31Å; I66-Y123 HydrophobicContact CD1-CD2 4.28Å; I66-Y123 HydrophobicContact CD1-CE2 4.06Å; I66-F143 HydrophobicContact CD1-CZ 4.43Å; I66-F143 HydrophobicContact CG2-CE1 3.91Å; I66-F143 HydrophobicContact CG2-CZ 4.44Å; I66-T145 HydrophobicContact CD1-CG2 4.37Å; I66-F148 HydrophobicContact CD1-CD1 3.48Å; I66-F148 VanDerWaalsContact CD1-CD1 3.48Å; I66-F148 HydrophobicContact CD1-CE1 3.78Å; I66-F148 HydrophobicContact CD1-CG 4.3Å
67M98.5Very high96.5Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-111.3127.6167.4-167.6177.6156.100110.1H85 W86 Y106 P109 Y118 V119 L120 F163M67-H85 HydrophobicContact CB-CB 3.96Å; M67-H85 HydrophobicContact CE-CB 4.12Å; M67-H85 HydrophobicContact CG-CB 3.8Å; M67-H85 WeakPolarHBondContact O-CA 3.47Å; M67-H85 WeakPolarHBondContact O-CB 3.41Å; M67-H85 PolarHBondContact O-N 3.35Å; M67-H85 HydrophobicContact SD-CB 4.04Å; M67-W86 HydrophobicContact CB-CB 3.62Å; M67-W86 PolarHBondContact N-O 2.67Å; M67-W86 PolarHBondContact O-N 3.18Å; M67-Y106 HydrophobicContact CE-CE2 4.19Å; M67-Y106 HydrophobicContact SD-CD2 4.28Å; M67-Y106 HydrophobicContact SD-CE2 3.57Å; M67-Y106 VanDerWaalsContact SD-CE2 3.57Å; M67-P109 HydrophobicContact CE-CG 4.32Å; M67-Y118 HydrophobicContact CE-CD1 3.66Å; M67-Y118 HydrophobicContact CE-CG 4.04Å; M67-V119 CarbonylContact C-O 3.53Å; M67-V119 VanDerWaalsContact CA-O 3.27Å; M67-V119 WeakPolarHBondContact CA-O 3.46Å; M67-L120 HydrophobicContact CB-CD2 3.66Å; M67-L120 HydrophobicContact CG-CD2 3.77Å; M67-L120 HydrophobicContact CG-CG 4.26Å; M67-L120 HydrophobicContact SD-CD2 4.14Å; M67-F163 HydrophobicContact CE-CE1 3.94Å; M67-F163 HydrophobicContact CE-CZ 3.71Å
68T98.3Very high96.6Very high0 Ų048.5 Ų48.50%025%0.247CC..EExtended strand (participates in β ladder)trans-144.7149.9-171.4-166.90000111.9V17 E82 F83 V119V17-T68 HydrophobicContact CG1-CG2 3.77Å; T68-E82 WeakPolarHBondContact CB-OE2 3.46Å; T68-E82 WeakPolarHBondContact CG2-OE2 3.15Å; T68-E82 WeakPolarHBondContact OG1-CB 3.38Å; T68-E82 PolarHBondContact OG1-OE2 2.86Å; T68-F83 CarbonylContact C-O 3.51Å; T68-F83 WeakPolarHBondContact CA-O 3.48Å; T68-V119 HydrophobicContact CG2-CB 4.03Å; T68-V119 PolarHBondContact N-O 2.88Å; T68-V119 PolarHBondContact O-N 3.36Å
69D98.2Very high96.7Very high4 Ų442.6 Ų42.62%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-118.6103.2179.1176.52.5000110.1D71 A72 E82 F83 H116 Y118D69-D71 PolarHBondContact O-N 3.19Å; D69-D71 WeakPolarHBondContact OD1-CA 3.33Å; D69-D71 WeakPolarHBondContact OD1-CB 3.42Å; D69-D71 PolarHBondContact OD1-N 3.02Å; D69-A72 PolarHBondContact OD1-N 2.91Å; D69-E82 CarbonylContact O-C 2.74Å; D69-E82 WeakPolarHBondContact O-CA 3.32Å; D69-F83 HydrophobicContact CB-CB 4.26Å; D69-F83 PolarHBondContact N-O 3.26Å; D69-F83 PolarHBondContact O-N 3.47Å; D69-H116 IonicContact OD1-CG 3.78Å; D69-H116 IonicContact OD1-ND1 3.46Å; D69-H116 PolarHBondContact OD1-ND1 2.93Å; D69-H116 IonicContact OD2-CE1 3.7Å; D69-H116 IonicContact OD2-CG 3.24Å; D69-H116 IonicContact OD2-ND1 2.8Å; D69-H116 PolarHBondContact OD2-ND1 2.87Å; D69-Y118 HydrophobicContact CB-CD1 4.17Å; D69-Y118 HydrophobicContact CB-CE1 3.94Å; D69-Y118 PolarHBondContact OD2-OH 2.89Å
70P98.2Very high97Very high0 Ų036.1 Ų36.10%022%0.215CC..THydrogen-bonded Turntrans-77.3-2.2179.234.5-32.2000113.4V17 R81 E82 R117 V119V17-P70 HydrophobicContact CG2-CB 3.72Å; V17-P70 HydrophobicContact CG2-CG 3.77Å; P70-R81 WeakPolarHBondContact O-CB 3.33Å; P70-E82 HydrophobicContact CB-CG 4.44Å; P70-R117 WeakPolarHBondContact CD-O 3.45Å; P70-R117 HydrophobicContact CG-CB 4.35Å; P70-V119 HydrophobicContact CG-CG2 4.49Å
71D98.2Very high97.1Very high9 Ų933.1 Ų33.15%0.04819%0.193CC..THydrogen-bonded Turntrans-1085.1-174.4-60.9-51.7000112.5D69 P73 S74 P75 H116 R117D69-D71 PolarHBondContact O-N 3.19Å; D69-D71 WeakPolarHBondContact OD1-CA 3.33Å; D69-D71 WeakPolarHBondContact OD1-CB 3.42Å; D69-D71 PolarHBondContact OD1-N 3.02Å; D71-P73 CarbonylContact O-C 3.06Å; D71-S74 CarbonylContact O-C 3.06Å; D71-S74 WeakPolarHBondContact O-CA 3.36Å; D71-S74 PolarHBondContact O-N 2.82Å; D71-P75 HydrophobicContact CB-CB 4.12Å; D71-P75 HydrophobicContact CB-CG 3.89Å; D71-H116 HydrophobicContact CB-CB 4.18Å; D71-H116 PolarHBondContact O-CE1 2.62Å; D71-H116 VanDerWaalsContact O-CE1 3.31Å; D71-R117 IonicContact OD1-CZ 3.37Å; D71-R117 IonicContact OD1-NE 3.77Å; D71-R117 PolarHBondContact OD1-NE 2.89Å; D71-R117 IonicContact OD1-NH2 3.28Å; D71-R117 PolarHBondContact OD1-NH2 3.23Å; D71-R117 VanDerWaalsContact OD2-CB 3.29Å; D71-R117 WeakPolarHBondContact OD2-CB 3.45Å; D71-R117 WeakPolarHBondContact OD2-CG 3.43Å; D71-R117 IonicContact OD2-CZ 2.79Å; D71-R117 PolarHBondContact OD2-N 3.25Å; D71-R117 IonicContact OD2-NE 3.38Å; D71-R117 PolarHBondContact OD2-NE 2.86Å; D71-R117 IonicContact OD2-NH2 3.46Å
72A97.4Very high97.1Very high6 Ų631.6 Ų31.65%0.0518%0.184CC..  trans-74.9141-179.900000113.2D69 P78 S79 M80 R81 F83D69-A72 PolarHBondContact OD1-N 2.91Å; A72-P78 CarbonylContact O-C 3.53Å; A72-P78 WeakPolarHBondContact O-CA 3.46Å; A72-S79 PolarHBondContact O-N 3.27Å; A72-M80 HydrophobicContact CB-CB 4.17Å; A72-M80 CarbonylContact O-C 3.47Å; A72-M80 WeakPolarHBondContact O-CA 3Å; A72-M80 PolarHBondContact O-N 2.8Å; A72-R81 PolarHBondContact O-N 2.88Å; A72-F83 HydrophobicContact CB-CB 3.52Å; A72-F83 HydrophobicContact CB-CG 4.31Å
73P95.9Very high97.1Very high45 Ų4532.4 Ų32.429%0.29219%0.187SC..SBendcis-81.3-12.4-5.334.5-37.2000113.7D71 D77 S79 M80 H116D71-P73 CarbonylContact O-C 3.06Å; P73-D77 WeakPolarHBondContact CD-O 3.42Å; P73-S79 WeakPolarHBondContact CD-OG 3.23Å; P73-M80 HydrophobicContact CB-SD 4.25Å; P73-M80 HydrophobicContact CG-SD 4.45Å; P73-H116 PolarHBondContact O-CE1 3.14Å; P73-H116 VanDerWaalsContact O-CE1 3.29Å; P73-H116 PolarHBondContact O-NE2 3.33Å
74S96.4Very high97.1Very high20 Ų2032.4 Ų32.414%0.1419%0.187CC..BIsolated β-bridgetrans-147.9147.5171.775.80000111.7D71 S76 D77 P78 V113D71-S74 CarbonylContact O-C 3.06Å; D71-S74 WeakPolarHBondContact O-CA 3.36Å; D71-S74 PolarHBondContact O-N 2.82Å; S74-S76 PolarHBondContact O-N 3.42Å; S74-S76 VanDerWaalsContact O-N 3.11Å; S74-D77 CarbonylContact O-C 3.56Å; S74-D77 PolarHBondContact O-N 2.82Å; S74-D77 VanDerWaalsContact O-N 3.09Å; S74-D77 PolarHBondContact OG-N 2.85Å; S74-D77 VanDerWaalsContact OG-N 3.12Å; S74-P78 VanDerWaalsContact O-CA 3.29Å; S74-P78 WeakPolarHBondContact O-CA 3.3Å; S74-P78 VanDerWaalsContact O-N 3.09Å; S74-V113 VanDerWaalsContact CB-CG1 3.45Å
75P96Very high97.2Very high46 Ų4632.7 Ų32.730%0.29919%0.188SC..THydrogen-bonded Turntrans-59.2-27.2178.7-2127.6000113.7D71 I115D71-P75 HydrophobicContact CB-CB 4.12Å; D71-P75 HydrophobicContact CB-CG 3.89Å; P75-I115 WeakPolarHBondContact CG-O 3.46Å
76S96Very high97.1Very high124 Ų12433.2 Ų33.287%0.86719%0.19SC*.THydrogen-bonded Turntrans-81-24.2-179.5-57.20000113.6S74S74-S76 PolarHBondContact O-N 3.42Å; S74-S76 VanDerWaalsContact O-N 3.11Å
77D95.9Very high97.1Very high100 Ų10033.2 Ų33.254%0.53519%0.19SC..BIsolated β-bridgetrans-144.376.9176.2178.926000108.8P73 S74 S79P73-D77 WeakPolarHBondContact CD-O 3.42Å; S74-D77 CarbonylContact O-C 3.56Å; S74-D77 PolarHBondContact O-N 2.82Å; S74-D77 VanDerWaalsContact O-N 3.09Å; S74-D77 PolarHBondContact OG-N 2.85Å; S74-D77 VanDerWaalsContact OG-N 3.12Å; D77-S79 PolarHBondContact O-N 2.99Å
78P96Very high97Very high33 Ų3333.4 Ų33.421%0.21419%0.191CC..  trans-8555.3-171.436.2-38000110.8A72 S74 M80 R81A72-P78 CarbonylContact O-C 3.53Å; A72-P78 WeakPolarHBondContact O-CA 3.46Å; S74-P78 VanDerWaalsContact O-CA 3.29Å; S74-P78 WeakPolarHBondContact O-CA 3.3Å; S74-P78 VanDerWaalsContact O-N 3.09Å; P78-M80 PolarHBondContact O-N 2.58Å; P78-R81 HydrophobicContact CB-CB 4.16Å; P78-R81 HydrophobicContact CB-CG 4.42Å; P78-R81 VanDerWaalsContact O-CB 3.31Å; P78-R81 WeakPolarHBondContact O-CB 3.42Å; P78-R81 WeakPolarHBondContact O-CD 3.29Å; P78-R81 WeakPolarHBondContact O-CG 3.27Å; P78-R81 PolarHBondContact O-N 3.04Å; P78-R81 VanDerWaalsContact O-N 3.14Å
79S96.4Very high96.9Very high67 Ų6733.4 Ų33.447%0.46919%0.191SC..THydrogen-bonded Turntrans-67-11.7-175.154.20000115.1A72 P73 D77 N142A72-S79 PolarHBondContact O-N 3.27Å; P73-S79 WeakPolarHBondContact CD-OG 3.23Å; D77-S79 PolarHBondContact O-N 2.99Å; S79-N142 PolarHBondContact O-OD1 3.38Å
80M95.7Very high96.8Very high82 Ų8233.3 Ų33.340%0.40419%0.191SC..THydrogen-bonded Turntrans-108.611.9176.2-64.4176.5-173.800112.4A72 P73 P78 E82 F83 P141 N142A72-M80 HydrophobicContact CB-CB 4.17Å; A72-M80 CarbonylContact O-C 3.47Å; A72-M80 WeakPolarHBondContact O-CA 3Å; A72-M80 PolarHBondContact O-N 2.8Å; P73-M80 HydrophobicContact CB-SD 4.25Å; P73-M80 HydrophobicContact CG-SD 4.45Å; P78-M80 PolarHBondContact O-N 2.58Å; M80-E82 CarbonylContact O-C 3.44Å; M80-E82 VanDerWaalsContact O-C 3.29Å; M80-F83 PolarHBondContact O-N 2.84Å; M80-P141 HydrophobicContact CB-CB 3.95Å; M80-P141 HydrophobicContact CG-CB 4.19Å; M80-N142 PolarHBondContact O-N 3.29Å
81R95.9Very high96.8Very high89 Ų8933.3 Ų33.334%0.33619%0.191SC..PPolyproline II helixtrans-68.9142-177.771.7-175.4-80.8163-0.6112.4E16 P70 A72 P78 N142E16-R81 IonicContact OE2-NH1 3.97Å; E16-R81 IonicContact OE2-NH2 3.79Å; P70-R81 WeakPolarHBondContact O-CB 3.33Å; A72-R81 PolarHBondContact O-N 2.88Å; P78-R81 HydrophobicContact CB-CB 4.16Å; P78-R81 HydrophobicContact CB-CG 4.42Å; P78-R81 VanDerWaalsContact O-CB 3.31Å; P78-R81 WeakPolarHBondContact O-CB 3.42Å; P78-R81 WeakPolarHBondContact O-CD 3.29Å; P78-R81 WeakPolarHBondContact O-CG 3.27Å; P78-R81 PolarHBondContact O-N 3.04Å; P78-R81 VanDerWaalsContact O-N 3.14Å; R81-N142 WeakPolarHBondContact O-CA 3.38Å
82E97.3Very high96.8Very high9 Ų934.6 Ų34.64%0.04220%0.199CC..SBendcis-82.6142-15.4-46.3165.4-136.200108.9V17 T68 D69 P70 M80 N142 F143 T145V17-E82 WeakPolarHBondContact CG1-OE2 3.42Å; T68-E82 WeakPolarHBondContact CB-OE2 3.46Å; T68-E82 WeakPolarHBondContact CG2-OE2 3.15Å; T68-E82 WeakPolarHBondContact OG1-CB 3.38Å; T68-E82 PolarHBondContact OG1-OE2 2.86Å; D69-E82 CarbonylContact O-C 2.74Å; D69-E82 WeakPolarHBondContact O-CA 3.32Å; P70-E82 HydrophobicContact CB-CG 4.44Å; M80-E82 CarbonylContact O-C 3.44Å; M80-E82 VanDerWaalsContact O-C 3.29Å; E82-N142 PolarHBondContact O-N 2.92Å; E82-F143 WeakPolarHBondContact CB-O 3.29Å; E82-F143 PolarHBondContact N-O 2.86Å; E82-F143 WeakPolarHBondContact O-CA 3.27Å; E82-F143 VanDerWaalsContact O-CB 3.3Å; E82-F143 WeakPolarHBondContact O-CB 3.39Å; E82-F143 PolarHBondContact O-N 2.96Å; E82-T145 PolarHBondContact OE1-N 2.82Å; E82-T145 VanDerWaalsContact OE1-N 3.1Å; E82-T145 WeakPolarHBondContact OE2-CB 3.49Å; E82-T145 PolarHBondContact OE2-OG1 3.29Å
83F97.6Very high96.8Very high43 Ų4334.3 Ų34.319%0.18920%0.197CC..EExtended strand (participates in β ladder)trans-89.7121.9173.6-169.4-80.4000109.7T68 D69 A72 M80 H85 M107 R140 P141T68-F83 CarbonylContact C-O 3.51Å; T68-F83 WeakPolarHBondContact CA-O 3.48Å; D69-F83 HydrophobicContact CB-CB 4.26Å; D69-F83 PolarHBondContact N-O 3.26Å; D69-F83 PolarHBondContact O-N 3.47Å; A72-F83 HydrophobicContact CB-CB 3.52Å; A72-F83 HydrophobicContact CB-CG 4.31Å; M80-F83 PolarHBondContact O-N 2.84Å; F83-H85 AromaticContact CD1-CD2 3.84Å; F83-H85 AromaticContact CD1-NE2 3.45Å; F83-H85 WeakPolarHBondContact CD1-NE2 3.34Å; F83-H85 PolarHBondContact O-CD2 2.85Å; F83-H85 VanDerWaalsContact O-CD2 3.25Å; F83-H85 PolarHBondContact O-N 2.7Å; F83-M107 HydrophobicContact CE1-SD 3.86Å; F83-M107 HydrophobicContact CZ-SD 4.12Å; F83-R140 WeakPolarHBondContact CA-O 3.47Å; F83-R140 HydrophobicContact CD1-CB 4.28Å; F83-R140 HydrophobicContact CD2-CB 4.37Å; F83-R140 HydrophobicContact CE1-CB 3.85Å; F83-R140 HydrophobicContact CE1-CG 4.47Å; F83-R140 HydrophobicContact CE2-CB 3.95Å; F83-R140 HydrophobicContact CZ-CB 3.67Å; F83-R140 HydrophobicContact CZ-CG 4.46Å; F83-P141 HydrophobicContact CD2-CB 4.09Å; F83-P141 HydrophobicContact CE2-CB 4.42Å
84L97.9Very high96.9Very high2 Ų234.5 Ų34.51%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-77.9120.4-177-175.563.4000112I66 I87 V104 P137 R140 F143I66-L84 HydrophobicContact CG2-CD1 3.94Å; L84-I87 HydrophobicContact CD1-CD1 3.93Å; L84-I87 HydrophobicContact CD1-CG1 3.7Å; L84-I87 HydrophobicContact CD2-CD1 3.72Å; L84-I87 HydrophobicContact CD2-CG1 4.04Å; L84-I87 HydrophobicContact CG-CD1 4.4Å; L84-I87 HydrophobicContact CG-CG1 4.29Å; L84-V104 HydrophobicContact CD2-CB 4.28Å; L84-V104 HydrophobicContact CD2-CG1 4Å; L84-V104 HydrophobicContact CD2-CG2 3.91Å; L84-V104 HydrophobicContact CG-CG1 4.31Å; L84-P137 HydrophobicContact CD2-CB 4.14Å; L84-P137 HydrophobicContact CD2-CG 3.82Å; L84-R140 HydrophobicContact CB-CB 4.25Å; L84-R140 HydrophobicContact CB-CG 4.39Å; L84-R140 PolarHBondContact N-O 3.21Å; L84-R140 WeakPolarHBondContact O-CD 3.47Å; L84-R140 WeakPolarHBondContact O-CG 3.25Å; L84-R140 PolarHBondContact O-NH1 3.05Å; L84-F143 HydrophobicContact CB-CB 3.91Å; L84-F143 HydrophobicContact CB-CD1 4.31Å; L84-F143 HydrophobicContact CB-CD2 4.47Å; L84-F143 HydrophobicContact CB-CG 3.98Å; L84-F143 HydrophobicContact CD1-CD1 3.83Å; L84-F143 HydrophobicContact CD1-CD2 4.45Å; L84-F143 HydrophobicContact CD1-CE1 3.82Å; L84-F143 HydrophobicContact CD1-CE2 4.45Å; L84-F143 HydrophobicContact CD1-CG 4.15Å; L84-F143 HydrophobicContact CD1-CZ 4.14Å; L84-F143 HydrophobicContact CD2-CD2 4.01Å; L84-F143 HydrophobicContact CD2-CE2 4.21Å; L84-F143 HydrophobicContact CD2-CG 4.31Å; L84-F143 HydrophobicContact CG-CG 4.39Å
85H98Very high97Very high7 Ų735.5 Ų35.53%0.03221%0.213CC..EExtended strand (participates in β ladder)trans-97.9-38.5179.3-81.2-87.4000113M67 F83 E105 Y106 M107 Y118 R140M67-H85 HydrophobicContact CB-CB 3.96Å; M67-H85 HydrophobicContact CE-CB 4.12Å; M67-H85 HydrophobicContact CG-CB 3.8Å; M67-H85 WeakPolarHBondContact O-CA 3.47Å; M67-H85 WeakPolarHBondContact O-CB 3.41Å; M67-H85 PolarHBondContact O-N 3.35Å; M67-H85 HydrophobicContact SD-CB 4.04Å; F83-H85 AromaticContact CD1-CD2 3.84Å; F83-H85 AromaticContact CD1-NE2 3.45Å; F83-H85 WeakPolarHBondContact CD1-NE2 3.34Å; F83-H85 PolarHBondContact O-CD2 2.85Å; F83-H85 VanDerWaalsContact O-CD2 3.25Å; F83-H85 PolarHBondContact O-N 2.7Å; H85-E105 VanDerWaalsContact O-O 3.09Å; H85-Y106 CarbonylContact O-C 3.57Å; H85-Y106 WeakPolarHBondContact O-CA 3.41Å; H85-M107 PolarHBondContact ND1-O 2.79Å; H85-M107 PolarHBondContact O-N 2.87Å; H85-Y118 AromaticContact CD2-CE1 3.86Å; H85-Y118 AromaticContact CE1-CE1 3.57Å; H85-Y118 AromaticContact NE2-CE1 3.4Å; H85-Y118 WeakPolarHBondContact NE2-CE1 3.3Å; H85-R140 PolarHBondContact O-NH1 3.35Å
86W98.2Very high97Very high12 Ų1234.9 Ų34.95%0.04521%0.207CC..EExtended strand (participates in β ladder)trans-160.9142.5-173-165.332.5000111.6P50 P51 V53 L65 I66 M67 V88 A97 E102 Y106 L120P50-W86 HydrophobicContact CB-CH2 3.97Å; P50-W86 HydrophobicContact CB-CZ2 3.89Å; P50-W86 HydrophobicContact CB-CZ3 4.44Å; P51-W86 HydrophobicContact CG-CZ3 4.14Å; V53-W86 HydrophobicContact CG2-CZ3 4.04Å; L65-W86 HydrophobicContact CD2-CE3 3.78Å; L65-W86 HydrophobicContact CD2-CH2 3.99Å; L65-W86 HydrophobicContact CD2-CZ3 3.37Å; I66-W86 CarbonylContact C-O 3.57Å; I66-W86 WeakPolarHBondContact CA-O 3.44Å; M67-W86 HydrophobicContact CB-CB 3.62Å; M67-W86 PolarHBondContact N-O 2.67Å; M67-W86 PolarHBondContact O-N 3.18Å; W86-V88 HydrophobicContact CD2-CG2 3.94Å; W86-V88 HydrophobicContact CG-CG2 4.45Å; W86-V88 HydrophobicContact CH2-CG2 4.1Å; W86-V88 HydrophobicContact CZ2-CG2 3.3Å; W86-V88 VanDerWaalsContact NE1-CG2 3.34Å; W86-A97 HydrophobicContact CH2-CB 3.71Å; W86-A97 HydrophobicContact CZ2-CB 4.31Å; W86-A97 HydrophobicContact CZ3-CB 4.48Å; W86-E102 PolarHBondContact NE1-OE2 2.96Å; W86-Y106 HydrophobicContact CB-CD2 3.99Å; W86-Y106 VanDerWaalsContact CD1-CA 3.49Å; W86-Y106 AromaticContact CD2-CD2 3.89Å; W86-Y106 HydrophobicContact CD2-CD2 3.89Å; W86-Y106 HydrophobicContact CE3-CD2 4.14Å; W86-Y106 AromaticContact CG-CD2 3.85Å; W86-Y106 HydrophobicContact CG-CD2 3.85Å; W86-Y106 HydrophobicContact CG-CG 4.46Å; W86-L120 HydrophobicContact CE3-CD2 4.39Å
87I97.2Very high97.1Very high0 Ų029.2 Ų29.20%017%0.167CC..EExtended strand (participates in β ladder)trans-135.8125.2164.9-56.5-174.8000109.2T64 L65 I66 L84 V89 M103 V104 P137 F143 F148T64-I87 HydrophobicContact CG2-CG2 4.23Å; L65-I87 WeakPolarHBondContact O-CA 3.35Å; I66-I87 HydrophobicContact CG1-CG1 4.37Å; L84-I87 HydrophobicContact CD1-CD1 3.93Å; L84-I87 HydrophobicContact CD1-CG1 3.7Å; L84-I87 HydrophobicContact CD2-CD1 3.72Å; L84-I87 HydrophobicContact CD2-CG1 4.04Å; L84-I87 HydrophobicContact CG-CD1 4.4Å; L84-I87 HydrophobicContact CG-CG1 4.29Å; I87-V89 HydrophobicContact CG2-CG1 4Å; I87-M103 HydrophobicContact CB-CB 4.18Å; I87-M103 HydrophobicContact CG2-CB 3.93Å; I87-M103 HydrophobicContact CG2-CG 4.43Å; I87-M103 HydrophobicContact CG2-SD 4.14Å; I87-M103 PolarHBondContact O-N 2.95Å; I87-V104 HydrophobicContact CB-CB 3.99Å; I87-V104 HydrophobicContact CB-CG2 4.17Å; I87-V104 HydrophobicContact CD1-CG2 4.01Å; I87-V104 HydrophobicContact CG1-CB 4.07Å; I87-V104 HydrophobicContact CG1-CG2 4.07Å; I87-V104 PolarHBondContact N-O 2.79Å; I87-V104 VanDerWaalsContact N-O 3.08Å; I87-V104 PolarHBondContact O-N 2.82Å; I87-V104 VanDerWaalsContact O-N 3.16Å; I87-P137 HydrophobicContact CD1-CG 4.14Å; I87-F143 HydrophobicContact CD1-CE2 4.38Å; I87-F143 HydrophobicContact CD1-CZ 4.23Å; I87-F148 HydrophobicContact CD1-CE2 4.07Å; I87-F148 HydrophobicContact CD1-CZ 4.18Å; I87-F148 HydrophobicContact CG2-CZ 4.45Å
88V97.3Very high97.2Very high3 Ų328.8 Ų28.82%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-122.5129.4168.6-175.80000108.6T64 L65 W86 I91 A97 E101T64-V88 CarbonylContact C-O 3.57Å; T64-V88 WeakPolarHBondContact CA-O 3.38Å; L65-V88 HydrophobicContact CB-CB 4.48Å; L65-V88 PolarHBondContact N-O 3.44Å; L65-V88 PolarHBondContact O-N 3.23Å; W86-V88 HydrophobicContact CD2-CG2 3.94Å; W86-V88 HydrophobicContact CG-CG2 4.45Å; W86-V88 HydrophobicContact CH2-CG2 4.1Å; W86-V88 HydrophobicContact CZ2-CG2 3.3Å; W86-V88 VanDerWaalsContact NE1-CG2 3.34Å; V88-I91 HydrophobicContact CB-CD1 4.11Å; V88-I91 HydrophobicContact CB-CG1 4.4Å; V88-I91 HydrophobicContact CG1-CD1 3.9Å; V88-I91 HydrophobicContact CG1-CG1 3.68Å; V88-A97 WeakPolarHBondContact CG1-O 3.29Å; V88-E101 CarbonylContact C-O 3.48Å; V88-E101 WeakPolarHBondContact CA-O 3.4Å
89V96.2Very high97.3Very high1 Ų133.2 Ų33.21%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-113.4173.4179.3-61.70000110.9Y63 T64 I87 I91 G100 E101 M103 F129 L134Y63-V89 CarbonylContact O-C 3.49Å; T64-V89 HydrophobicContact CG2-CG1 3.89Å; I87-V89 HydrophobicContact CG2-CG1 4Å; V89-I91 PolarHBondContact O-N 3.34Å; V89-I91 VanDerWaalsContact O-N 3.09Å; V89-G100 CarbonylContact O-C 3.59Å; V89-G100 WeakPolarHBondContact O-CA 3.49Å; V89-E101 HydrophobicContact CG2-CB 4.03Å; V89-E101 WeakPolarHBondContact CG2-O 3.1Å; V89-E101 PolarHBondContact N-O 2.92Å; V89-E101 PolarHBondContact O-N 3.38Å; V89-M103 HydrophobicContact CG1-CB 4.31Å; V89-M103 HydrophobicContact CG1-SD 4.06Å; V89-F129 HydrophobicContact CB-CD2 3.73Å; V89-F129 HydrophobicContact CB-CE2 4.2Å; V89-F129 HydrophobicContact CG1-CD2 3.72Å; V89-F129 HydrophobicContact CG1-CE2 3.82Å; V89-F129 HydrophobicContact CG2-CD2 4.22Å; V89-L134 HydrophobicContact CG1-CD1 4.39Å; V89-L134 HydrophobicContact CG2-CD1 3.89Å
90N96Very high97.2Very high1 Ų131 Ų311%0.00518%0.176CC..EExtended strand (participates in β ladder)trans57.128.7172.2-65.9-33.2000113.4Y63 P92 E101 Q125 R128 F129Y63-N90 PolarHBondContact O-N 2.98Å; N90-P92 VanDerWaalsContact O-CD 3.27Å; N90-P92 WeakPolarHBondContact O-CD 3.35Å; N90-E101 PolarHBondContact ND2-OE2 3.34Å; N90-Q125 PolarHBondContact OD1-NE2 2.89Å; N90-R128 HydrophobicContact CB-CG 4.48Å; N90-R128 WeakPolarHBondContact OD1-CG 3.43Å; N90-F129 PolarHBondContact ND2-O 3.35Å; N90-F129 PolarHBondContact OD1-N 3.03Å
91I97.9Very high97.2Very high1 Ų130.3 Ų30.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-72.3119.4178-54167.7000108.6I55 L62 Y63 L65 V88 V89 D96 A97I55-I91 HydrophobicContact CD1-CB 4.28Å; I55-I91 HydrophobicContact CD1-CG2 3.64Å; I55-I91 HydrophobicContact CG1-CG2 4.31Å; L62-I91 CarbonylContact C-O 3.47Å; L62-I91 WeakPolarHBondContact CA-O 3.35Å; Y63-I91 PolarHBondContact N-O 3.38Å; Y63-I91 WeakPolarHBondContact O-CB 3.37Å; Y63-I91 WeakPolarHBondContact O-CG1 3.39Å; Y63-I91 PolarHBondContact O-N 3.41Å; L65-I91 HydrophobicContact CB-CD1 3.7Å; V88-I91 HydrophobicContact CB-CD1 4.11Å; V88-I91 HydrophobicContact CB-CG1 4.4Å; V88-I91 HydrophobicContact CG1-CD1 3.9Å; V88-I91 HydrophobicContact CG1-CG1 3.68Å; V89-I91 PolarHBondContact O-N 3.34Å; V89-I91 VanDerWaalsContact O-N 3.09Å; I91-D96 WeakPolarHBondContact CG2-O 3.48Å; I91-A97 HydrophobicContact CD1-CB 4.11Å
92P97.6Very high97.1Very high35 Ų3531.1 Ų31.123%0.22718%0.179CC..EExtended strand (participates in β ladder)trans-68.1136.6177.3-19.433.1000112.1N90 T95 K99N90-P92 VanDerWaalsContact O-CD 3.27Å; N90-P92 WeakPolarHBondContact O-CD 3.35Å; P92-T95 HydrophobicContact CB-CG2 4.11Å; P92-T95 WeakPolarHBondContact O-CB 3.46Å; P92-T95 PolarHBondContact O-N 3.27Å; P92-T95 PolarHBondContact O-OG1 2.93Å; P92-K99 WeakPolarHBondContact CD-O 3.35Å; P92-K99 HydrophobicContact CG-CB 4.41Å
93G97.9Very high96.8Very high0 Ų032.1 Ų32.10%018%0.184CC..THydrogen-bonded Turntrans-58.7141.4176.700000113.4R58 R59 D61 T95R58-G93 VanDerWaalsContact O-CA 3.3Å; R58-G93 WeakPolarHBondContact O-CA 3.23Å; R59-G93 WeakPolarHBondContact CA-O 3.13Å; D61-G93 PolarHBondContact O-N 3.12Å; G93-T95 VanDerWaalsContact C-N 3.33Å
94G97.2Very high96.7Very high49 Ų4930.8 Ų30.851%0.50518%0.18SC..THydrogen-bonded Turntrans77.517.1-176.200000114.3I55I55-G94 CarbonylContact O-C 3.57Å; I55-G94 WeakPolarHBondContact O-CA 3.22Å; I55-G94 PolarHBondContact O-N 3.38Å
95T97.9Very high96.6Very high42 Ų4237.2 Ų37.226%0.25821%0.21SC..SBendtrans-124.4-143.6177.775.30000111.2I55 P92 G93I55-T95 PolarHBondContact N-O 2.87Å; I55-T95 PolarHBondContact O-N 3.38Å; P92-T95 HydrophobicContact CB-CG2 4.11Å; P92-T95 WeakPolarHBondContact O-CB 3.46Å; P92-T95 PolarHBondContact O-N 3.27Å; P92-T95 PolarHBondContact O-OG1 2.93Å; G93-T95 VanDerWaalsContact C-N 3.33Å
96D97.7Very high96.6Very high32 Ų3237.9 Ų37.917%0.17121%0.212CC..BIsolated β-bridgetrans-142.9164.2-179.565.572.5000110.7L52 V53 R54 I91 S98 K99L52-D96 HydrophobicContact CD1-CB 4.12Å; V53-D96 CarbonylContact O-C 3.38Å; V53-D96 WeakPolarHBondContact O-CA 3.27Å; V53-D96 WeakPolarHBondContact O-CB 3.41Å; R54-D96 HydrophobicContact CG-CB 4.09Å; I91-D96 WeakPolarHBondContact CG2-O 3.48Å; D96-S98 PolarHBondContact O-N 3.26Å; D96-S98 WeakPolarHBondContact OD1-CA 3.19Å; D96-S98 WeakPolarHBondContact OD1-CB 3.35Å; D96-S98 PolarHBondContact OD1-N 2.82Å; D96-S98 PolarHBondContact OD1-OG 2.99Å; D96-K99 WeakPolarHBondContact O-CB 3.26Å; D96-K99 PolarHBondContact O-N 2.92Å
97A97.8Very high96.6Very high5 Ų540.8 Ų40.84%0.04123%0.227CC..G310 helixtrans-56.7-23.6-176.500000113.7V53 L65 W86 V88 I91 K99 G100V53-A97 HydrophobicContact CB-CB 4.13Å; V53-A97 PolarHBondContact O-N 2.97Å; L65-A97 HydrophobicContact CD2-CB 4Å; W86-A97 HydrophobicContact CH2-CB 3.71Å; W86-A97 HydrophobicContact CZ2-CB 4.31Å; W86-A97 HydrophobicContact CZ3-CB 4.48Å; V88-A97 WeakPolarHBondContact CG1-O 3.29Å; I91-A97 HydrophobicContact CD1-CB 4.11Å; A97-K99 PolarHBondContact O-N 3.05Å; A97-K99 VanDerWaalsContact O-N 3.13Å; A97-G100 PolarHBondContact O-N 3.36Å; A97-G100 VanDerWaalsContact O-N 3.12Å
98S97.3Very high96.5Very high91 Ų9141.2 Ų41.264%0.63623%0.232SC*.G310 helixtrans-68.7-9.6176.3114.60000113.1D96D96-S98 PolarHBondContact O-N 3.26Å; D96-S98 WeakPolarHBondContact OD1-CA 3.19Å; D96-S98 WeakPolarHBondContact OD1-CB 3.35Å; D96-S98 PolarHBondContact OD1-N 2.82Å; D96-S98 PolarHBondContact OD1-OG 2.99Å
99K97.5Very high96.5Very high127 Ų12741.3 Ų41.355%0.55223%0.232SC*.G310 helixtrans-96.8-4.1175.8-56.1-54.5178.6-169.60113.3P92 D96 A97P92-K99 WeakPolarHBondContact CD-O 3.35Å; P92-K99 HydrophobicContact CG-CB 4.41Å; D96-K99 WeakPolarHBondContact O-CB 3.26Å; D96-K99 PolarHBondContact O-N 2.92Å; A97-K99 PolarHBondContact O-N 3.05Å; A97-K99 VanDerWaalsContact O-N 3.13Å
100G95.9Very high96.4Very high21 Ų2150.2 Ų50.222%0.21627%0.266CS..SBendtrans-87.2-167.8171.600000112.9V89 A97V89-G100 CarbonylContact O-C 3.59Å; V89-G100 WeakPolarHBondContact O-CA 3.49Å; A97-G100 PolarHBondContact O-N 3.36Å; A97-G100 VanDerWaalsContact O-N 3.12Å
101E94.4Very high96.4Very high67 Ų6750.5 Ų50.531%0.31327%0.268SS..EExtended strand (participates in β ladder)trans-115.1128176.1-69.4163.7-163.200108.7V88 V89 N90 M103 R128V88-E101 CarbonylContact C-O 3.48Å; V88-E101 WeakPolarHBondContact CA-O 3.4Å; V89-E101 HydrophobicContact CG2-CB 4.03Å; V89-E101 WeakPolarHBondContact CG2-O 3.1Å; V89-E101 PolarHBondContact N-O 2.92Å; V89-E101 PolarHBondContact O-N 3.38Å; N90-E101 PolarHBondContact ND2-OE2 3.34Å; E101-M103 PolarHBondContact O-N 3.02Å; E101-R128 IonicContact OE1-CZ 3.49Å; E101-R128 IonicContact OE1-NE 2.69Å; E101-R128 IonicContact OE1-NH2 2.61Å; E101-R128 PolarHBondContact OE1-NH2 2.81Å
102E93.4Very high96.2Very high105 Ų10555 Ų5549%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-79.8113.3-179.6-169.6170.371.200110.3W86 E105 Y106W86-E102 PolarHBondContact NE1-OE2 2.96Å; E102-E105 VanDerWaalsContact CD-CA 3.48Å; E102-Y106 PolarHBondContact OE2-N 2.9Å
103M92.9Very high96Very high30 Ų3057.3 Ų57.315%0.14831%0.309CS..EExtended strand (participates in β ladder)trans-90.1-33.4178.3-179.7176.3-179.800111.5I87 V89 E101 L134 M135 P136 F148I87-M103 HydrophobicContact CB-CB 4.18Å; I87-M103 HydrophobicContact CG2-CB 3.93Å; I87-M103 HydrophobicContact CG2-CG 4.43Å; I87-M103 HydrophobicContact CG2-SD 4.14Å; I87-M103 PolarHBondContact O-N 2.95Å; V89-M103 HydrophobicContact CG1-CB 4.31Å; V89-M103 HydrophobicContact CG1-SD 4.06Å; E101-M103 PolarHBondContact O-N 3.02Å; M103-L134 HydrophobicContact CE-CB 3.76Å; M103-L134 HydrophobicContact CE-CD2 3.99Å; M103-L134 HydrophobicContact CE-CG 4.3Å; M103-L134 HydrophobicContact SD-CB 4.22Å; M103-L134 HydrophobicContact SD-CD1 3.91Å; M103-L134 HydrophobicContact SD-CD2 4.08Å; M103-L134 HydrophobicContact SD-CG 4.3Å; M103-M135 VanDerWaalsContact CE-C 3.49Å; M103-M135 WeakPolarHBondContact CE-O 3.48Å; M103-P136 VanDerWaalsContact CE-CA 3.48Å; M103-P136 HydrophobicContact CE-CB 4.38Å; M103-P136 HydrophobicContact CG-CB 4.33Å; M103-F148 HydrophobicContact CE-CE2 4.04Å; M103-F148 HydrophobicContact CE-CZ 4.35Å; M103-F148 HydrophobicContact SD-CE2 4.34Å; M103-F148 HydrophobicContact SD-CZ 4.13Å
104V94.9Very high95.9Very high16 Ų1659.3 Ų59.310%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-136120.5173.3175.90000107.9L84 I87 P136L84-V104 HydrophobicContact CD2-CB 4.28Å; L84-V104 HydrophobicContact CD2-CG1 4Å; L84-V104 HydrophobicContact CD2-CG2 3.91Å; L84-V104 HydrophobicContact CG-CG1 4.31Å; I87-V104 HydrophobicContact CB-CB 3.99Å; I87-V104 HydrophobicContact CB-CG2 4.17Å; I87-V104 HydrophobicContact CD1-CG2 4.01Å; I87-V104 HydrophobicContact CG1-CB 4.07Å; I87-V104 HydrophobicContact CG1-CG2 4.07Å; I87-V104 PolarHBondContact N-O 2.79Å; I87-V104 VanDerWaalsContact N-O 3.08Å; I87-V104 PolarHBondContact O-N 2.82Å; I87-V104 VanDerWaalsContact O-N 3.16Å; V104-P136 HydrophobicContact CG2-CB 4.5Å
105E95.4Very high95.9Very high137 Ų13761 Ų6164%0.6433%0.326SS*.  trans-53.5141.5-178.6-171.3-179-17800112.2H85 E102 M107 R140H85-E105 VanDerWaalsContact O-O 3.09Å; E102-E105 VanDerWaalsContact CD-CA 3.48Å; E105-M107 PolarHBondContact O-N 2.84Å; E105-R140 PolarHBondContact O-NH1 3.14Å; E105-R140 PolarHBondContact O-NH2 2.8Å
106Y98Very high95.9Very high20 Ų2059.2 Ų59.28%0.07832%0.315CS..  trans-59.9129.6174.5-179.3-96.2000112Y31 A47 P50 M67 H85 W86 E102 G108Y31-Y106 WeakPolarHBondContact CE1-OH 3.37Å; Y31-Y106 PolarHBondContact OH-OH 3Å; A47-Y106 PolarHBondContact O-OH 3.11Å; P50-Y106 HydrophobicContact CB-CD1 4.28Å; P50-Y106 HydrophobicContact CB-CD2 3.86Å; P50-Y106 HydrophobicContact CB-CE2 4.33Å; P50-Y106 HydrophobicContact CB-CG 3.83Å; P50-Y106 HydrophobicContact CG-CD1 3.89Å; P50-Y106 HydrophobicContact CG-CD2 4.2Å; P50-Y106 HydrophobicContact CG-CG 3.63Å; M67-Y106 HydrophobicContact CE-CE2 4.19Å; M67-Y106 HydrophobicContact SD-CD2 4.28Å; M67-Y106 HydrophobicContact SD-CE2 3.57Å; M67-Y106 VanDerWaalsContact SD-CE2 3.57Å; H85-Y106 CarbonylContact O-C 3.57Å; H85-Y106 WeakPolarHBondContact O-CA 3.41Å; W86-Y106 HydrophobicContact CB-CD2 3.99Å; W86-Y106 VanDerWaalsContact CD1-CA 3.49Å; W86-Y106 AromaticContact CD2-CD2 3.89Å; W86-Y106 HydrophobicContact CD2-CD2 3.89Å; W86-Y106 HydrophobicContact CE3-CD2 4.14Å; W86-Y106 AromaticContact CG-CD2 3.85Å; W86-Y106 HydrophobicContact CG-CD2 3.85Å; W86-Y106 HydrophobicContact CG-CG 4.46Å; E102-Y106 PolarHBondContact OE2-N 2.9Å; Y106-G108 VanDerWaalsContact CE1-CA 3.46Å
107M97.4Very high95.9Very high74 Ų7459 Ų5937%0.36531%0.312SS..  trans-118.1121.5166.9-174.3173.2-70.800108.6F83 H85 E105F83-M107 HydrophobicContact CE1-SD 3.86Å; F83-M107 HydrophobicContact CZ-SD 4.12Å; H85-M107 PolarHBondContact ND1-O 2.79Å; H85-M107 PolarHBondContact O-N 2.87Å; E105-M107 PolarHBondContact O-N 2.84Å
108G96.3Very high96Very high9 Ų958.9 Ų58.99%0.09331%0.31CS..  trans-66160.4179.500000113.8A47 Y106 R110A47-G108 VanDerWaalsContact O-CA 3.32Å; A47-G108 WeakPolarHBondContact O-CA 3.29Å; Y106-G108 VanDerWaalsContact CE1-CA 3.46Å; G108-R110 PolarHBondContact O-N 3.07Å
109P96.9Very high96Very high4 Ų454.6 Ų54.63%0.02628%0.28CS..  trans-54.2126171.9-28.838.3000112.8A47 M67 Y118 F163A47-P109 HydrophobicContact CB-CG 3.84Å; A47-P109 VanDerWaalsContact O-CD 3.29Å; A47-P109 WeakPolarHBondContact O-CD 3.45Å; M67-P109 HydrophobicContact CE-CG 4.32Å; P109-Y118 HydrophobicContact CB-CD1 4.41Å; P109-Y118 HydrophobicContact CB-CD2 4.22Å; P109-Y118 HydrophobicContact CB-CE1 3.84Å; P109-Y118 HydrophobicContact CB-CE2 3.64Å; P109-Y118 VanDerWaalsContact CB-CZ 3.44Å; P109-Y118 HydrophobicContact CG-CD1 4.06Å; P109-Y118 HydrophobicContact CG-CD2 4.12Å; P109-Y118 HydrophobicContact CG-CE1 3.97Å; P109-Y118 HydrophobicContact CG-CE2 4.05Å; P109-Y118 HydrophobicContact CG-CG 4.13Å; P109-F163 HydrophobicContact CG-CE2 3.83Å; P109-F163 HydrophobicContact CG-CZ 3.81Å
110R95.2Very high96.1Very high188 Ų18848.5 Ų48.571%0.70925%0.253SS*.  trans-131.652.2172.4-63.6-173.4-179.6-158-0.9112.5G108 T112G108-R110 PolarHBondContact O-N 3.07Å; R110-T112 PolarHBondContact O-N 3.24Å
111P95.3Very high96.2Very high8 Ų847.5 Ų47.55%0.05224%0.243CC..  trans-63.6132.6-179.529.3-35.2000110.2P44 H116 Y118 Q166 R167P44-P111 HydrophobicContact CG-CG 4.19Å; P111-H116 HydrophobicContact CB-CB 4.36Å; P111-H116 VanDerWaalsContact CB-CD2 3.45Å; P111-H116 WeakPolarHBondContact CB-CD2 3.45Å; P111-Y118 WeakPolarHBondContact CD-OH 3.38Å; P111-Q166 VanDerWaalsContact CG-C 3.45Å; P111-R167 WeakPolarHBondContact O-CB 3.09Å
112T93Very high96.4Very high96 Ų9644.3 Ų44.359%0.58923%0.228SC*.SBendtrans-97.5-31.1179.557.90000112.1R110 R167R110-T112 PolarHBondContact O-N 3.24Å; T112-R167 WeakPolarHBondContact O-CD 3.31Å
113V94.7Very high96.6Very high83 Ų8339.6 Ų39.650%0.50321%0.206SC..SBendtrans-148.2143.9-178.260.60000110.3S74 H116S74-V113 VanDerWaalsContact CB-CG1 3.45Å; V113-H116 PolarHBondContact O-CD2 3.46Å; V113-H116 PolarHBondContact O-NE2 3.01Å
114G95.6Very high96.8Very high42 Ų4241.9 Ų41.943%0.43322%0.216SC..SBendtrans72.5-175.6179.900000114Q166G114-Q166 WeakPolarHBondContact O-CB 3.41Å
115I96.9Very high96.8Very high85 Ų8541.5 Ų41.544%0.43621%0.213SC..EExtended strand (participates in β ladder)trans-108.1115.8178.3-61167.2000107.1P75 N164 Q166P75-I115 WeakPolarHBondContact CG-O 3.46Å; I115-N164 HydrophobicContact CG2-CB 3.71Å; I115-Q166 HydrophobicContact CG1-CB 4.01Å
116H98.1Very high96.6Very high4 Ų443 Ų432%0.01922%0.218CC..EExtended strand (participates in β ladder)trans-95.4145-180-70.9-130.2000110.5D69 D71 P73 P111 V113 Y118 N164 S165D69-H116 IonicContact OD1-CG 3.78Å; D69-H116 IonicContact OD1-ND1 3.46Å; D69-H116 PolarHBondContact OD1-ND1 2.93Å; D69-H116 IonicContact OD2-CE1 3.7Å; D69-H116 IonicContact OD2-CG 3.24Å; D69-H116 IonicContact OD2-ND1 2.8Å; D69-H116 PolarHBondContact OD2-ND1 2.87Å; D71-H116 HydrophobicContact CB-CB 4.18Å; D71-H116 PolarHBondContact O-CE1 2.62Å; D71-H116 VanDerWaalsContact O-CE1 3.31Å; P73-H116 PolarHBondContact O-CE1 3.14Å; P73-H116 VanDerWaalsContact O-CE1 3.29Å; P73-H116 PolarHBondContact O-NE2 3.33Å; P111-H116 HydrophobicContact CB-CB 4.36Å; P111-H116 VanDerWaalsContact CB-CD2 3.45Å; P111-H116 WeakPolarHBondContact CB-CD2 3.45Å; V113-H116 PolarHBondContact O-CD2 3.46Å; V113-H116 PolarHBondContact O-NE2 3.01Å; H116-Y118 HydrophobicContact CB-CD2 4.41Å; H116-Y118 HydrophobicContact CB-CE2 3.62Å; H116-N164 CarbonylContact O-C 3.54Å; H116-N164 VanDerWaalsContact O-CA 3.27Å; H116-N164 WeakPolarHBondContact O-CA 3.09Å; H116-S165 PolarHBondContact N-O 2.91Å; H116-S165 PolarHBondContact O-N 3.09Å
117R98.2Very high96.3Very high28 Ų2845.2 Ų45.211%0.10624%0.24CC..EExtended strand (participates in β ladder)trans-93.3121.5171.4-63.8166.4-67.5163.92109G11 E16 P70 D71 V119 N164G11-R117 VanDerWaalsContact O-CD 3.26Å; G11-R117 WeakPolarHBondContact O-CD 3.18Å; G11-R117 PolarHBondContact O-NH1 2.88Å; E16-R117 IonicContact OE2-CZ 3.96Å; E16-R117 VanDerWaalsContact OE2-CZ 3.28Å; E16-R117 IonicContact OE2-NH1 3.65Å; E16-R117 PolarHBondContact OE2-NH1 3.02Å; E16-R117 IonicContact OE2-NH2 3.75Å; E16-R117 PolarHBondContact OE2-NH2 3.5Å; P70-R117 WeakPolarHBondContact CD-O 3.45Å; P70-R117 HydrophobicContact CG-CB 4.35Å; D71-R117 IonicContact OD1-CZ 3.37Å; D71-R117 IonicContact OD1-NE 3.77Å; D71-R117 PolarHBondContact OD1-NE 2.89Å; D71-R117 IonicContact OD1-NH2 3.28Å; D71-R117 PolarHBondContact OD1-NH2 3.23Å; D71-R117 VanDerWaalsContact OD2-CB 3.29Å; D71-R117 WeakPolarHBondContact OD2-CB 3.45Å; D71-R117 WeakPolarHBondContact OD2-CG 3.43Å; D71-R117 IonicContact OD2-CZ 2.79Å; D71-R117 PolarHBondContact OD2-N 3.25Å; D71-R117 IonicContact OD2-NE 3.38Å; D71-R117 PolarHBondContact OD2-NE 2.86Å; D71-R117 IonicContact OD2-NH2 3.46Å; R117-V119 HydrophobicContact CB-CG2 4.48Å; R117-N164 WeakPolarHBondContact CG-OD1 3.29Å
118Y98.2Very high96Very high2 Ų247.9 Ų47.91%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-102.2112.1171.3-67.7-85.8000108.5M67 D69 H85 P109 P111 H116 H162 F163M67-Y118 HydrophobicContact CE-CD1 3.66Å; M67-Y118 HydrophobicContact CE-CG 4.04Å; D69-Y118 HydrophobicContact CB-CD1 4.17Å; D69-Y118 HydrophobicContact CB-CE1 3.94Å; D69-Y118 PolarHBondContact OD2-OH 2.89Å; H85-Y118 AromaticContact CD2-CE1 3.86Å; H85-Y118 AromaticContact CE1-CE1 3.57Å; H85-Y118 AromaticContact NE2-CE1 3.4Å; H85-Y118 WeakPolarHBondContact NE2-CE1 3.3Å; P109-Y118 HydrophobicContact CB-CD1 4.41Å; P109-Y118 HydrophobicContact CB-CD2 4.22Å; P109-Y118 HydrophobicContact CB-CE1 3.84Å; P109-Y118 HydrophobicContact CB-CE2 3.64Å; P109-Y118 VanDerWaalsContact CB-CZ 3.44Å; P109-Y118 HydrophobicContact CG-CD1 4.06Å; P109-Y118 HydrophobicContact CG-CD2 4.12Å; P109-Y118 HydrophobicContact CG-CE1 3.97Å; P109-Y118 HydrophobicContact CG-CE2 4.05Å; P109-Y118 HydrophobicContact CG-CG 4.13Å; P111-Y118 WeakPolarHBondContact CD-OH 3.38Å; H116-Y118 HydrophobicContact CB-CD2 4.41Å; H116-Y118 HydrophobicContact CB-CE2 3.62Å; Y118-H162 CarbonylContact O-C 3.29Å; Y118-H162 WeakPolarHBondContact O-CA 3.34Å; Y118-H162 WeakPolarHBondContact O-CB 3.04Å; Y118-F163 VanDerWaalsContact CB-CE1 3.43Å; Y118-F163 HydrophobicContact CD1-CZ 4.49Å; Y118-F163 HydrophobicContact CD2-CD2 4.18Å; Y118-F163 AromaticContact CD2-CE2 3.63Å; Y118-F163 HydrophobicContact CD2-CE2 3.63Å; Y118-F163 HydrophobicContact CD2-CZ 4.05Å; Y118-F163 HydrophobicContact CG-CD2 4.49Å; Y118-F163 HydrophobicContact CG-CE1 4.31Å; Y118-F163 AromaticContact CG-CE2 3.78Å; Y118-F163 HydrophobicContact CG-CE2 3.78Å; Y118-F163 AromaticContact CG-CZ 3.68Å; Y118-F163 HydrophobicContact CG-CZ 3.68Å; Y118-F163 PolarHBondContact N-O 2.93Å; Y118-F163 PolarHBondContact O-N 2.72Å
119V98.4Very high95.6Very high0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-103.4124.4-172.3-172.90000109.4V13 V17 M67 T68 P70 R117 V121 V160 H162V13-V119 HydrophobicContact CG1-CB 4.42Å; V13-V119 HydrophobicContact CG1-CG1 3.48Å; V13-V119 VanDerWaalsContact CG1-CG1 3.48Å; V13-V119 HydrophobicContact CG1-CG2 4.01Å; V13-V119 HydrophobicContact CG2-CG2 3.86Å; V17-V119 HydrophobicContact CG1-CG1 4.29Å; V17-V119 HydrophobicContact CG2-CG2 4.22Å; M67-V119 CarbonylContact C-O 3.53Å; M67-V119 VanDerWaalsContact CA-O 3.27Å; M67-V119 WeakPolarHBondContact CA-O 3.46Å; T68-V119 HydrophobicContact CG2-CB 4.03Å; T68-V119 PolarHBondContact N-O 2.88Å; T68-V119 PolarHBondContact O-N 3.36Å; P70-V119 HydrophobicContact CG-CG2 4.49Å; R117-V119 HydrophobicContact CB-CG2 4.48Å; V119-V121 HydrophobicContact CG1-CG2 3.69Å; V119-V160 HydrophobicContact CG1-CG1 3.72Å; V119-H162 HydrophobicContact CB-CB 4.35Å; V119-H162 HydrophobicContact CG1-CB 4.46Å; V119-H162 HydrophobicContact CG2-CB 3.95Å
120L98.5Very high94.7Very high0 Ų053.3 Ų53.30%028%0.275CS..EExtended strand (participates in β ladder)trans-99.6118.3169.3-71.9161.5000108.3M27 A29 P51 L65 I66 M67 W86 V160 V161M27-L120 HydrophobicContact CE-CB 4.29Å; A29-L120 HydrophobicContact CB-CD1 3.71Å; P51-L120 HydrophobicContact CG-CD1 4.32Å; L65-L120 HydrophobicContact CD1-CB 4.28Å; L65-L120 HydrophobicContact CD1-CD2 4.04Å; L65-L120 HydrophobicContact CD2-CD2 4.33Å; L65-L120 HydrophobicContact CG-CD2 4.31Å; I66-L120 CarbonylContact O-C 3.52Å; I66-L120 VanDerWaalsContact O-CA 3.3Å; I66-L120 WeakPolarHBondContact O-CA 3.31Å; M67-L120 HydrophobicContact CB-CD2 3.66Å; M67-L120 HydrophobicContact CG-CD2 3.77Å; M67-L120 HydrophobicContact CG-CG 4.26Å; M67-L120 HydrophobicContact SD-CD2 4.14Å; W86-L120 HydrophobicContact CE3-CD2 4.39Å; L120-V160 WeakPolarHBondContact O-CA 3.38Å; L120-V161 HydrophobicContact CB-CG1 3.93Å; L120-V161 HydrophobicContact CD1-CG1 3.99Å; L120-V161 PolarHBondContact N-O 3.26Å; L120-V161 PolarHBondContact O-N 2.87Å
121V98.5Very high93.2Very high0 Ų051.7 Ų51.70%028%0.281CS..EExtended strand (participates in β ladder)trans-116.3127.5-179.5-171.80000108.8V17 V18 L65 I66 V119 Y123 T145 P157 V160V17-V121 HydrophobicContact CG1-CG2 4.32Å; V18-V121 HydrophobicContact CG1-CG1 3.8Å; V18-V121 HydrophobicContact CG1-CG2 3.83Å; L65-V121 WeakPolarHBondContact CA-O 3.34Å; I66-V121 PolarHBondContact N-O 3.22Å; I66-V121 PolarHBondContact O-N 3.31Å; V119-V121 HydrophobicContact CG1-CG2 3.69Å; V121-Y123 HydrophobicContact CB-CE2 4.05Å; V121-Y123 HydrophobicContact CG1-CD2 3.93Å; V121-Y123 HydrophobicContact CG1-CE1 4.41Å; V121-Y123 HydrophobicContact CG1-CE2 3.22Å; V121-T145 HydrophobicContact CG1-CG2 4.49Å; V121-T145 HydrophobicContact CG2-CG2 4.31Å; V121-P157 HydrophobicContact CG1-CB 3.88Å; V121-P157 HydrophobicContact CG1-CG 3.89Å; V121-V160 HydrophobicContact CB-CG2 4.43Å; V121-V160 HydrophobicContact CG1-CG2 3.96Å; V121-V160 HydrophobicContact CG2-CG1 4.45Å; V121-V160 HydrophobicContact CG2-CG2 4.33Å
122L98.5Very high91.6Very high0 Ų055.1 Ų55.10%032%0.317CS..EExtended strand (participates in β ladder)trans-109.6132.6177.4-168.670.3000109.6I25 M27 I55 Y63 T64 L65 P157 T158 A159I25-L122 HydrophobicContact CD1-CD2 3.41Å; I25-L122 VanDerWaalsContact CD1-CD2 3.41Å; I25-L122 HydrophobicContact CD1-CG 4.43Å; I25-L122 HydrophobicContact CG1-CD2 4.08Å; M27-L122 HydrophobicContact CB-CD2 4.21Å; M27-L122 HydrophobicContact CG-CD2 4.43Å; M27-L122 HydrophobicContact SD-CB 3.83Å; M27-L122 HydrophobicContact SD-CD2 4.15Å; M27-L122 HydrophobicContact SD-CG 4.43Å; I55-L122 HydrophobicContact CB-CD2 4.11Å; I55-L122 HydrophobicContact CG2-CD1 4.08Å; I55-L122 HydrophobicContact CG2-CD2 3.48Å; I55-L122 VanDerWaalsContact CG2-CD2 3.48Å; I55-L122 HydrophobicContact CG2-CG 4.47Å; Y63-L122 HydrophobicContact CD1-CD2 4.42Å; Y63-L122 HydrophobicContact CD1-CG 4.28Å; T64-L122 CarbonylContact O-C 3.59Å; T64-L122 WeakPolarHBondContact O-CA 3.23Å; L65-L122 HydrophobicContact CB-CD1 4.19Å; L65-L122 HydrophobicContact CD1-CD1 4.3Å; L122-P157 CarbonylContact O-C 3.56Å; L122-P157 WeakPolarHBondContact O-CA 3.4Å; L122-T158 PolarHBondContact O-N 2.82Å; L122-T158 PolarHBondContact O-OG1 3.04Å; L122-A159 HydrophobicContact CB-CB 4.19Å; L122-A159 HydrophobicContact CD2-CB 4.24Å; L122-A159 PolarHBondContact N-O 2.97Å
123Y97.8Very high90.3Very high5 Ų553.9 Ų53.92%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-123.6149175.8-68.2-83.8000110.7Y63 T64 I66 V121 T145 A149 L154 G155 P157Y63-Y123 CarbonylContact C-O 3.58Å; Y63-Y123 WeakPolarHBondContact CA-O 3.34Å; Y63-Y123 WeakPolarHBondContact CB-O 3.24Å; Y63-Y123 WeakPolarHBondContact CD1-O 3.33Å; T64-Y123 PolarHBondContact N-O 3.3Å; T64-Y123 PolarHBondContact O-N 2.97Å; I66-Y123 HydrophobicContact CD1-CD2 4.28Å; I66-Y123 HydrophobicContact CD1-CE2 4.06Å; V121-Y123 HydrophobicContact CB-CE2 4.05Å; V121-Y123 HydrophobicContact CG1-CD2 3.93Å; V121-Y123 HydrophobicContact CG1-CE1 4.41Å; V121-Y123 HydrophobicContact CG1-CE2 3.22Å; Y123-T145 HydrophobicContact CE2-CG2 4.1Å; Y123-T145 WeakPolarHBondContact OH-CG2 3.45Å; Y123-A149 HydrophobicContact CD1-CB 4.26Å; Y123-A149 HydrophobicContact CE1-CB 3.67Å; Y123-A149 HydrophobicContact CE2-CB 4.24Å; Y123-L154 HydrophobicContact CD1-CB 3.93Å; Y123-L154 HydrophobicContact CD2-CD1 4.21Å; Y123-L154 HydrophobicContact CG-CB 3.98Å; Y123-L154 HydrophobicContact CG-CD1 4.07Å; Y123-G155 WeakPolarHBondContact CE1-O 3.43Å; Y123-P157 HydrophobicContact CE1-CB 4.2Å; Y123-P157 HydrophobicContact CE1-CG 3.75Å
124E96.8Very high89.1Confident78 Ų7851.5 Ų51.536%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-88.1136.3170.4-172.8174.9171.100110.3Y63 T158Y63-E124 HydrophobicContact CD1-CB 4Å; Y63-E124 HydrophobicContact CD1-CG 4.38Å; Y63-E124 HydrophobicContact CE1-CB 3.74Å; Y63-E124 HydrophobicContact CE1-CG 3.86Å; E124-T158 HydrophobicContact CB-CG2 3.78Å
125Q95.5Very high87.8Confident9 Ų956.4 Ų56.44%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-93.3138.1176.1-70.1175.8-14600110.6L62 Y63 T64 N90 A127 F129 L154L62-Q125 HydrophobicContact CB-CB 3.99Å; L62-Q125 WeakPolarHBondContact O-CB 3.17Å; L62-Q125 PolarHBondContact O-N 2.72Å; Y63-Q125 PolarHBondContact O-OE1 3.2Å; T64-Q125 WeakPolarHBondContact OG1-CG 3.41Å; T64-Q125 PolarHBondContact OG1-OE1 2.92Å; N90-Q125 PolarHBondContact OD1-NE2 2.89Å; Q125-A127 VanDerWaalsContact C-N 3.33Å; Q125-A127 WeakPolarHBondContact CB-O 3.26Å; Q125-A127 PolarHBondContact NE2-O 2.92Å; Q125-F129 HydrophobicContact CG-CE2 4.18Å; Q125-F129 HydrophobicContact CG-CZ 4.26Å; Q125-L154 HydrophobicContact CG-CD2 3.84Å
126K92.1Very high86.7Confident167 Ų16756 Ų5673%0.72632%0.317SS*.SBendtrans-74.1-26.3172.1-62.4179.3-175.5171.30113.2Q153K126-Q153 VanDerWaalsContact CE-O 3.25Å; K126-Q153 WeakPolarHBondContact CE-O 3.45Å
127A90.2Very high85.9Confident67 Ų6757.5 Ų57.555%0.55433%0.328SS*.SBendtrans-152.3160-178.500000109.7Q125 F129Q125-A127 VanDerWaalsContact C-N 3.33Å; Q125-A127 WeakPolarHBondContact CB-O 3.26Å; Q125-A127 PolarHBondContact NE2-O 2.92Å; A127-F129 PolarHBondContact O-N 3.01Å
128R91.4Very high85Confident131 Ų13160.9 Ų60.949%0.49436%0.361SS..PPolyproline II helixtrans-62.4133.3170.6-164.3-175.9-174.383-1.8108.9L62 N90 E101 V130L62-R128 VanDerWaalsContact CD1-CA 3.45Å; L62-R128 HydrophobicContact CD1-CB 3.53Å; L62-R128 HydrophobicContact CD1-CG 3.8Å; N90-R128 HydrophobicContact CB-CG 4.48Å; N90-R128 WeakPolarHBondContact OD1-CG 3.43Å; E101-R128 IonicContact OE1-CZ 3.49Å; E101-R128 IonicContact OE1-NE 2.69Å; E101-R128 IonicContact OE1-NH2 2.61Å; E101-R128 PolarHBondContact OE1-NH2 2.81Å; R128-V130 PolarHBondContact O-N 3.02Å
129F87.8Confident84.7Confident27 Ų2766.3 Ų66.312%0.11839%0.39CS..PPolyproline II helixtrans-72.8128.7165.8-64.3-39.4000109V89 N90 Q125 A127 L134 H152 L154V89-F129 HydrophobicContact CB-CD2 3.73Å; V89-F129 HydrophobicContact CB-CE2 4.2Å; V89-F129 HydrophobicContact CG1-CD2 3.72Å; V89-F129 HydrophobicContact CG1-CE2 3.82Å; V89-F129 HydrophobicContact CG2-CD2 4.22Å; N90-F129 PolarHBondContact ND2-O 3.35Å; N90-F129 PolarHBondContact OD1-N 3.03Å; Q125-F129 HydrophobicContact CG-CE2 4.18Å; Q125-F129 HydrophobicContact CG-CZ 4.26Å; A127-F129 PolarHBondContact O-N 3.01Å; F129-L134 HydrophobicContact CB-CD1 3.45Å; F129-L134 VanDerWaalsContact CB-CD1 3.45Å; F129-L134 HydrophobicContact CB-CD2 3.96Å; F129-L134 HydrophobicContact CB-CG 3.68Å; F129-L134 HydrophobicContact CD1-CD2 3.94Å; F129-L134 HydrophobicContact CD2-CD1 3.73Å; F129-L134 HydrophobicContact CD2-CD2 3.58Å; F129-L134 HydrophobicContact CD2-CG 4.1Å; F129-L134 HydrophobicContact CE1-CD2 4.29Å; F129-L134 HydrophobicContact CE2-CD2 3.93Å; F129-L134 HydrophobicContact CG-CD1 3.85Å; F129-L134 HydrophobicContact CG-CD2 3.58Å; F129-L134 HydrophobicContact CG-CG 3.91Å; F129-L134 HydrophobicContact CZ-CD2 4.28Å; F129-H152 HydrophobicContact CE1-CB 4.2Å; F129-H152 HydrophobicContact CZ-CB 3.82Å; F129-L154 HydrophobicContact CZ-CD2 3.94Å
130V78.2Confident84.6Confident100 Ų10068.7 Ų68.761%0.60640%0.399SS*.PPolyproline II helixtrans-101.4143.5-179.9-172.10000108.3R128 G132 A133R128-V130 PolarHBondContact O-N 3.02Å; V130-G132 PolarHBondContact O-N 3.47Å; V130-A133 VanDerWaalsContact O-CB 3.25Å; V130-A133 WeakPolarHBondContact O-CB 3.37Å; V130-A133 PolarHBondContact O-N 3.1Å
131D64.8Low84.5Confident154 Ų15470.7 Ų70.782%0.82441%0.412SS*.THydrogen-bonded Turntrans-46131.3175.9-75.6-32.9000111.7A133D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 2.85Å
132G61.5Low84.4Confident80 Ų8076 Ų7683%0.82544%0.441SS*.THydrogen-bonded Turntrans88-17.3-176.100000115.3V130 L134V130-G132 PolarHBondContact O-N 3.47Å; G132-L134 VanDerWaalsContact C-N 3.33Å
133A65.8Low84.3Confident69 Ų6976.9 Ų76.957%0.5745%0.445SS*.SBendtrans-82.6-14.9172.500000112.9V130 D131V130-A133 VanDerWaalsContact O-CB 3.25Å; V130-A133 WeakPolarHBondContact O-CB 3.37Å; V130-A133 PolarHBondContact O-N 3.1Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 2.85Å
134L68.6Low84.2Confident33 Ų3380.3 Ų80.317%0.17346%0.463CS..  trans-103.3112.5178.6-69.8178.1000110.3V89 M103 F129 G132 P136V89-L134 HydrophobicContact CG1-CD1 4.39Å; V89-L134 HydrophobicContact CG2-CD1 3.89Å; M103-L134 HydrophobicContact CE-CB 3.76Å; M103-L134 HydrophobicContact CE-CD2 3.99Å; M103-L134 HydrophobicContact CE-CG 4.3Å; M103-L134 HydrophobicContact SD-CB 4.22Å; M103-L134 HydrophobicContact SD-CD1 3.91Å; M103-L134 HydrophobicContact SD-CD2 4.08Å; M103-L134 HydrophobicContact SD-CG 4.3Å; F129-L134 HydrophobicContact CB-CD1 3.45Å; F129-L134 VanDerWaalsContact CB-CD1 3.45Å; F129-L134 HydrophobicContact CB-CD2 3.96Å; F129-L134 HydrophobicContact CB-CG 3.68Å; F129-L134 HydrophobicContact CD1-CD2 3.94Å; F129-L134 HydrophobicContact CD2-CD1 3.73Å; F129-L134 HydrophobicContact CD2-CD2 3.58Å; F129-L134 HydrophobicContact CD2-CG 4.1Å; F129-L134 HydrophobicContact CE1-CD2 4.29Å; F129-L134 HydrophobicContact CE2-CD2 3.93Å; F129-L134 HydrophobicContact CG-CD1 3.85Å; F129-L134 HydrophobicContact CG-CD2 3.58Å; F129-L134 HydrophobicContact CG-CG 3.91Å; F129-L134 HydrophobicContact CZ-CD2 4.28Å; G132-L134 VanDerWaalsContact C-N 3.33Å; L134-P136 WeakPolarHBondContact O-CD 3.43Å
135M69Low84.2Confident145 Ų14576.6 Ų76.671%0.71445%0.446SS*.  trans-87.6111.4161.5-67.9-170.573.400107.7M103M103-M135 VanDerWaalsContact CE-C 3.49Å; M103-M135 WeakPolarHBondContact CE-O 3.48Å
136P73.8Confident84.2Confident77 Ų7779.6 Ų79.650%0.546%0.457SS..  trans-57.5144.117025.2-32000109.1M103 V104 L134 A138M103-P136 VanDerWaalsContact CE-CA 3.48Å; M103-P136 HydrophobicContact CE-CB 4.38Å; M103-P136 HydrophobicContact CG-CB 4.33Å; V104-P136 HydrophobicContact CG2-CB 4.5Å; L134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-A138 PolarHBondContact O-N 3.26Å
137P80.5Confident84.4Confident36 Ų3674.1 Ų74.123%0.23444%0.443CS..  trans-51.9130.8170.4-24.134.3000109.6L84 I87 D139 F143L84-P137 HydrophobicContact CD2-CB 4.14Å; L84-P137 HydrophobicContact CD2-CG 3.82Å; I87-P137 HydrophobicContact CD1-CG 4.14Å; P137-D139 PolarHBondContact O-N 2.84Å; P137-F143 HydrophobicContact CB-CD2 4.15Å; P137-F143 HydrophobicContact CB-CE2 4.35Å; P137-F143 HydrophobicContact CG-CD2 3.96Å; P137-F143 HydrophobicContact CG-CE2 3.67Å
138A80.1Confident84.6Confident98 Ų9871.7 Ų71.781%0.8142%0.42SS*.SBendtrans-64.4-34.1-178.500000111.7P136P136-A138 PolarHBondContact O-N 3.26Å
139D91Very high84.8Confident116 Ų11665.7 Ų65.762%0.6240%0.398SS*.  trans-128148.1-175.2-67.1-58.6000110.7P137 P141P137-D139 PolarHBondContact O-N 2.84Å; D139-P141 HydrophobicContact CB-CG 4.45Å
140R95.7Very high85.1Confident50 Ų5067.8 Ų67.819%0.18942%0.421CS..SBendtrans-78.1-45.9170-65.7-177.9178.3-99.53.7113.9F83 L84 H85 E105F83-R140 WeakPolarHBondContact CA-O 3.47Å; F83-R140 HydrophobicContact CD1-CB 4.28Å; F83-R140 HydrophobicContact CD2-CB 4.37Å; F83-R140 HydrophobicContact CE1-CB 3.85Å; F83-R140 HydrophobicContact CE1-CG 4.47Å; F83-R140 HydrophobicContact CE2-CB 3.95Å; F83-R140 HydrophobicContact CZ-CB 3.67Å; F83-R140 HydrophobicContact CZ-CG 4.46Å; L84-R140 HydrophobicContact CB-CB 4.25Å; L84-R140 HydrophobicContact CB-CG 4.39Å; L84-R140 PolarHBondContact N-O 3.21Å; L84-R140 WeakPolarHBondContact O-CD 3.47Å; L84-R140 WeakPolarHBondContact O-CG 3.25Å; L84-R140 PolarHBondContact O-NH1 3.05Å; H85-R140 PolarHBondContact O-NH1 3.35Å; E105-R140 PolarHBondContact O-NH1 3.14Å; E105-R140 PolarHBondContact O-NH2 2.8Å
141P96.6Very high85.7Confident43 Ų4370.9 Ų70.928%0.27942%0.423SS..THydrogen-bonded Turntrans-69.4153.6177.528.6-36.3000111.6M80 F83 D139 F143M80-P141 HydrophobicContact CB-CB 3.95Å; M80-P141 HydrophobicContact CG-CB 4.19Å; F83-P141 HydrophobicContact CD2-CB 4.09Å; F83-P141 HydrophobicContact CE2-CB 4.42Å; D139-P141 HydrophobicContact CB-CG 4.45Å; P141-F143 PolarHBondContact O-N 2.77Å
142N96Very high87Confident111 Ų11164.9 Ų64.959%0.59439%0.39SS*.THydrogen-bonded Turntrans60.324.3-179.4-50.4-63.7000113.9S79 M80 R81 E82S79-N142 PolarHBondContact O-OD1 3.38Å; M80-N142 PolarHBondContact O-N 3.29Å; R81-N142 WeakPolarHBondContact O-CA 3.38Å; E82-N142 PolarHBondContact O-N 2.92Å
143F96.9Very high88.5Confident18 Ų1867 Ų678%0.07938%0.378CS..  trans-64.3149169-178.7-103.7000109.9I66 E82 L84 I87 P137 P141 T145 F148I66-F143 HydrophobicContact CD1-CZ 4.43Å; I66-F143 HydrophobicContact CG2-CE1 3.91Å; I66-F143 HydrophobicContact CG2-CZ 4.44Å; E82-F143 WeakPolarHBondContact CB-O 3.29Å; E82-F143 PolarHBondContact N-O 2.86Å; E82-F143 WeakPolarHBondContact O-CA 3.27Å; E82-F143 VanDerWaalsContact O-CB 3.3Å; E82-F143 WeakPolarHBondContact O-CB 3.39Å; E82-F143 PolarHBondContact O-N 2.96Å; L84-F143 HydrophobicContact CB-CB 3.91Å; L84-F143 HydrophobicContact CB-CD1 4.31Å; L84-F143 HydrophobicContact CB-CD2 4.47Å; L84-F143 HydrophobicContact CB-CG 3.98Å; L84-F143 HydrophobicContact CD1-CD1 3.83Å; L84-F143 HydrophobicContact CD1-CD2 4.45Å; L84-F143 HydrophobicContact CD1-CE1 3.82Å; L84-F143 HydrophobicContact CD1-CE2 4.45Å; L84-F143 HydrophobicContact CD1-CG 4.15Å; L84-F143 HydrophobicContact CD1-CZ 4.14Å; L84-F143 HydrophobicContact CD2-CD2 4.01Å; L84-F143 HydrophobicContact CD2-CE2 4.21Å; L84-F143 HydrophobicContact CD2-CG 4.31Å; L84-F143 HydrophobicContact CG-CG 4.39Å; I87-F143 HydrophobicContact CD1-CE2 4.38Å; I87-F143 HydrophobicContact CD1-CZ 4.23Å; P137-F143 HydrophobicContact CB-CD2 4.15Å; P137-F143 HydrophobicContact CB-CE2 4.35Å; P137-F143 HydrophobicContact CG-CD2 3.96Å; P137-F143 HydrophobicContact CG-CE2 3.67Å; P141-F143 PolarHBondContact O-N 2.77Å; F143-T145 WeakPolarHBondContact CE1-OG1 3.05Å; F143-F148 HydrophobicContact CE2-CB 3.92Å; F143-F148 AromaticContact CE2-CD2 3.92Å; F143-F148 HydrophobicContact CE2-CD2 3.92Å; F143-F148 HydrophobicContact CE2-CG 4.11Å; F143-F148 HydrophobicContact CZ-CB 3.55Å; F143-F148 HydrophobicContact CZ-CD1 4.48Å; F143-F148 AromaticContact CZ-CD2 4Å; F143-F148 HydrophobicContact CZ-CD2 4Å; F143-F148 AromaticContact CZ-CG 3.76Å; F143-F148 HydrophobicContact CZ-CG 3.76Å
144N95.7Very high89.9Confident78 Ų7864.2 Ų64.242%0.41735%0.353SS..  trans-130.5105.4179.1-175.4-43.3000109.3R146 A147 F148N144-R146 VanDerWaalsContact C-N 3.28Å; N144-R146 PolarHBondContact O-N 2.76Å; N144-R146 WeakPolarHBondContact OD1-CB 3.39Å; N144-R146 PolarHBondContact OD1-N 3.24Å; N144-R146 VanDerWaalsContact OD1-N 3.14Å; N144-A147 HydrophobicContact CB-CB 3.84Å; N144-A147 PolarHBondContact O-N 2.94Å; N144-A147 PolarHBondContact OD1-N 3.06Å; N144-F148 PolarHBondContact O-N 3.43Å
145T97Very high91.1Very high0 Ų065.2 Ų65.20%037%0.371CS..Hα-helixtrans-60.6-39-175.7-66.10000111.6V17 I66 E82 V121 Y123 F143 A149V17-T145 HydrophobicContact CG1-CG2 4.45Å; I66-T145 HydrophobicContact CD1-CG2 4.37Å; E82-T145 PolarHBondContact OE1-N 2.82Å; E82-T145 VanDerWaalsContact OE1-N 3.1Å; E82-T145 WeakPolarHBondContact OE2-CB 3.49Å; E82-T145 PolarHBondContact OE2-OG1 3.29Å; V121-T145 HydrophobicContact CG1-CG2 4.49Å; V121-T145 HydrophobicContact CG2-CG2 4.31Å; Y123-T145 HydrophobicContact CE2-CG2 4.1Å; Y123-T145 WeakPolarHBondContact OH-CG2 3.45Å; F143-T145 WeakPolarHBondContact CE1-OG1 3.05Å; T145-A149 WeakPolarHBondContact O-CB 3.4Å; T145-A149 PolarHBondContact O-N 3.13Å
146R96.9Very high92.5Very high72 Ų7262.9 Ų62.927%0.27236%0.361SS..Hα-helixtrans-66.9-44.4177.8-61.2-174.9178.194.9-7.7112.3G15 E16 V17 V18 D19 N144 F148 A149 A150G15-R146 VanDerWaalsContact C-NH2 3.27Å; G15-R146 PolarHBondContact O-NH2 2.85Å; E16-R146 PolarHBondContact O-NH1 3.47Å; V17-R146 WeakPolarHBondContact O-CG 3.38Å; V18-R146 PolarHBondContact O-NH2 2.8Å; D19-R146 IonicContact OD1-CZ 3.59Å; D19-R146 IonicContact OD1-NE 2.93Å; D19-R146 PolarHBondContact OD1-NE 3.13Å; D19-R146 IonicContact OD1-NH2 2.86Å; D19-R146 PolarHBondContact OD1-NH2 3.23Å; D19-R146 IonicContact OD2-NE 2.72Å; N144-R146 VanDerWaalsContact C-N 3.28Å; N144-R146 PolarHBondContact O-N 2.76Å; N144-R146 WeakPolarHBondContact OD1-CB 3.39Å; N144-R146 PolarHBondContact OD1-N 3.24Å; N144-R146 VanDerWaalsContact OD1-N 3.14Å; R146-F148 VanDerWaalsContact C-N 3.33Å; R146-F148 PolarHBondContact O-N 3.45Å; R146-A149 PolarHBondContact O-N 3.39Å; R146-A150 WeakPolarHBondContact O-CB 3.45Å; R146-A150 PolarHBondContact O-N 3.32Å
147A94.8Very high93.6Very high52 Ų5259.5 Ų59.543%0.4334%0.339SS..Hα-helixtrans-64.2-41.1179.800000110.9N144 A150 Y151N144-A147 HydrophobicContact CB-CB 3.84Å; N144-A147 PolarHBondContact O-N 2.94Å; N144-A147 PolarHBondContact OD1-N 3.06Å; A147-A150 PolarHBondContact O-N 2.82Å; A147-Y151 VanDerWaalsContact O-CB 3.31Å; A147-Y151 WeakPolarHBondContact O-CB 3.5Å; A147-Y151 PolarHBondContact O-N 3.1Å
148F94.5Very high94.4Very high16 Ų1658.1 Ų58.17%0.0733%0.33CS..Hα-helixtrans-60.2-49.2173.5-177.8-87.7000111.6T64 I66 I87 M103 F143 N144 R146 A150 Y151 H152 L154T64-F148 HydrophobicContact CG2-CE1 4.19Å; I66-F148 HydrophobicContact CD1-CD1 3.48Å; I66-F148 VanDerWaalsContact CD1-CD1 3.48Å; I66-F148 HydrophobicContact CD1-CE1 3.78Å; I66-F148 HydrophobicContact CD1-CG 4.3Å; I87-F148 HydrophobicContact CD1-CE2 4.07Å; I87-F148 HydrophobicContact CD1-CZ 4.18Å; I87-F148 HydrophobicContact CG2-CZ 4.45Å; M103-F148 HydrophobicContact CE-CE2 4.04Å; M103-F148 HydrophobicContact CE-CZ 4.35Å; M103-F148 HydrophobicContact SD-CE2 4.34Å; M103-F148 HydrophobicContact SD-CZ 4.13Å; F143-F148 HydrophobicContact CE2-CB 3.92Å; F143-F148 AromaticContact CE2-CD2 3.92Å; F143-F148 HydrophobicContact CE2-CD2 3.92Å; F143-F148 HydrophobicContact CE2-CG 4.11Å; F143-F148 HydrophobicContact CZ-CB 3.55Å; F143-F148 HydrophobicContact CZ-CD1 4.48Å; F143-F148 AromaticContact CZ-CD2 4Å; F143-F148 HydrophobicContact CZ-CD2 4Å; F143-F148 AromaticContact CZ-CG 3.76Å; F143-F148 HydrophobicContact CZ-CG 3.76Å; N144-F148 PolarHBondContact O-N 3.43Å; R146-F148 VanDerWaalsContact C-N 3.33Å; R146-F148 PolarHBondContact O-N 3.45Å; F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 PolarHBondContact O-N 3.37Å; F148-Y151 PolarHBondContact O-N 2.79Å; F148-H152 AromaticContact CD1-CD2 3.96Å; F148-H152 AromaticContact CD2-CD2 3.64Å; F148-H152 AromaticContact CD2-NE2 3.82Å; F148-H152 AromaticContact CE1-CD2 3.71Å; F148-H152 AromaticContact CE2-CD2 3.38Å; F148-H152 WeakPolarHBondContact CE2-CD2 3.45Å; F148-H152 AromaticContact CE2-NE2 3.34Å; F148-H152 VanDerWaalsContact CE2-NE2 3.34Å; F148-H152 WeakPolarHBondContact CE2-NE2 3.47Å; F148-H152 AromaticContact CG-CD2 3.93Å; F148-H152 AromaticContact CZ-CD2 3.41Å; F148-H152 VanDerWaalsContact CZ-CD2 3.41Å; F148-H152 WeakPolarHBondContact CZ-CD2 3.37Å; F148-H152 AromaticContact CZ-NE2 3.7Å; F148-H152 PolarHBondContact O-CD2 3.29Å; F148-H152 PolarHBondContact O-N 2.96Å; F148-L154 HydrophobicContact CD1-CD1 4.16Å; F148-L154 HydrophobicContact CE1-CD1 3.92Å
149A95Very high95.2Very high4 Ų453.8 Ų53.83%0.03330%0.295CS..Hα-helixtrans-60.7-38.8177.500000112.8Y123 T145 R146 Q153 L154Y123-A149 HydrophobicContact CD1-CB 4.26Å; Y123-A149 HydrophobicContact CE1-CB 3.67Å; Y123-A149 HydrophobicContact CE2-CB 4.24Å; T145-A149 WeakPolarHBondContact O-CB 3.4Å; T145-A149 PolarHBondContact O-N 3.13Å; R146-A149 PolarHBondContact O-N 3.39Å; A149-Q153 PolarHBondContact O-N 2.85Å; A149-L154 HydrophobicContact CB-CB 4.12Å; A149-L154 PolarHBondContact O-N 3.46Å
150A94.2Very high95.5Very high72 Ų7249 Ų4960%0.59527%0.269SS*.Hα-helixtrans-67.9-47.117700000111.9R146 A147 F148 H152 Q153R146-A150 WeakPolarHBondContact O-CB 3.45Å; R146-A150 PolarHBondContact O-N 3.32Å; A147-A150 PolarHBondContact O-N 2.82Å; F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 PolarHBondContact O-N 3.37Å; A150-H152 VanDerWaalsContact C-N 3.33Å; A150-H152 PolarHBondContact O-N 3.4Å; A150-Q153 PolarHBondContact O-N 3.31Å; A150-Q153 VanDerWaalsContact O-N 3.12Å
151Y92Very high95.5Very high165 Ų16547.2 Ų47.265%0.64726%0.264SS*.Hα-helixtrans-59.8-42.9179.8-177.9-97.6000111.8A147 F148 Q153A147-Y151 VanDerWaalsContact O-CB 3.31Å; A147-Y151 WeakPolarHBondContact O-CB 3.5Å; A147-Y151 PolarHBondContact O-N 3.1Å; F148-Y151 PolarHBondContact O-N 2.79Å; Y151-Q153 VanDerWaalsContact C-N 3.33Å
152H91.5Very high95.6Very high28 Ų2845.4 Ų45.413%0.1325%0.252CS..THydrogen-bonded Turntrans-89.57.8178.3-66.8-68.4000114.3F129 F148 A150 L154F129-H152 HydrophobicContact CE1-CB 4.2Å; F129-H152 HydrophobicContact CZ-CB 3.82Å; F148-H152 AromaticContact CD1-CD2 3.96Å; F148-H152 AromaticContact CD2-CD2 3.64Å; F148-H152 AromaticContact CD2-NE2 3.82Å; F148-H152 AromaticContact CE1-CD2 3.71Å; F148-H152 AromaticContact CE2-CD2 3.38Å; F148-H152 WeakPolarHBondContact CE2-CD2 3.45Å; F148-H152 AromaticContact CE2-NE2 3.34Å; F148-H152 VanDerWaalsContact CE2-NE2 3.34Å; F148-H152 WeakPolarHBondContact CE2-NE2 3.47Å; F148-H152 AromaticContact CG-CD2 3.93Å; F148-H152 AromaticContact CZ-CD2 3.41Å; F148-H152 VanDerWaalsContact CZ-CD2 3.41Å; F148-H152 WeakPolarHBondContact CZ-CD2 3.37Å; F148-H152 AromaticContact CZ-NE2 3.7Å; F148-H152 PolarHBondContact O-CD2 3.29Å; F148-H152 PolarHBondContact O-N 2.96Å; A150-H152 VanDerWaalsContact C-N 3.33Å; A150-H152 PolarHBondContact O-N 3.4Å; H152-L154 HydrophobicContact CB-CD1 4.3Å; H152-L154 HydrophobicContact CB-CG 3.97Å; H152-L154 PolarHBondContact O-N 2.8Å
153Q93.1Very high95.6Very high125 Ų12540.1 Ų40.158%0.58422%0.224SC*.THydrogen-bonded Turntrans53.935.6178-52.517927.400114.6K126 A149 A150 Y151 G155K126-Q153 VanDerWaalsContact CE-O 3.25Å; K126-Q153 WeakPolarHBondContact CE-O 3.45Å; A149-Q153 PolarHBondContact O-N 2.85Å; A150-Q153 PolarHBondContact O-N 3.31Å; A150-Q153 VanDerWaalsContact O-N 3.12Å; Y151-Q153 VanDerWaalsContact C-N 3.33Å; Q153-G155 VanDerWaalsContact C-N 3.28Å; Q153-G155 PolarHBondContact O-N 3.33Å
154L94.6Very high95.7Very high10 Ų1041.1 Ų41.15%0.05223%0.23CC..  trans-74.8-16.2-179.3-67.7-178.3000113.4T64 Y123 Q125 F129 F148 A149 H152T64-L154 HydrophobicContact CG2-CD1 4.23Å; Y123-L154 HydrophobicContact CD1-CB 3.93Å; Y123-L154 HydrophobicContact CD2-CD1 4.21Å; Y123-L154 HydrophobicContact CG-CB 3.98Å; Y123-L154 HydrophobicContact CG-CD1 4.07Å; Q125-L154 HydrophobicContact CG-CD2 3.84Å; F129-L154 HydrophobicContact CZ-CD2 3.94Å; F148-L154 HydrophobicContact CD1-CD1 4.16Å; F148-L154 HydrophobicContact CE1-CD1 3.92Å; A149-L154 HydrophobicContact CB-CB 4.12Å; A149-L154 PolarHBondContact O-N 3.46Å; H152-L154 HydrophobicContact CB-CD1 4.3Å; H152-L154 HydrophobicContact CB-CG 3.97Å; H152-L154 PolarHBondContact O-N 2.8Å
155G95.3Very high95.7Very high53 Ų5337.4 Ų37.455%0.54621%0.21SC..  trans73.3-146-179.200000112.9Y123 Q153Y123-G155 WeakPolarHBondContact CE1-O 3.43Å; Q153-G155 VanDerWaalsContact C-N 3.28Å; Q153-G155 PolarHBondContact O-N 3.33Å
156L96.8Very high95.7Very high96 Ų9641.2 Ų41.250%0.50323%0.227SC..SBendtrans-83.5156.4176.4-67.3176.8000111D19 F21D19-L156 HydrophobicContact CB-CD2 4.18Å; F21-L156 HydrophobicContact CB-CB 4.18Å; F21-L156 HydrophobicContact CB-CD1 4.48Å
157P97.6Very high95.6Very high7 Ų745.7 Ų45.75%0.04525%0.245CC..  trans-57.9148.2174.2-20.730.9000112.1V18 F21 V121 L122 Y123 V160V18-P157 HydrophobicContact CB-CG 3.88Å; V18-P157 HydrophobicContact CG1-CG 3.78Å; V18-P157 HydrophobicContact CG2-CG 4.48Å; F21-P157 HydrophobicContact CD1-CB 4.25Å; F21-P157 HydrophobicContact CD1-CG 4.25Å; F21-P157 HydrophobicContact CD2-CB 4.09Å; F21-P157 WeakPolarHBondContact CD2-O 3.38Å; F21-P157 HydrophobicContact CE1-CB 4.36Å; F21-P157 HydrophobicContact CE2-CB 4.17Å; F21-P157 HydrophobicContact CG-CB 4.13Å; F21-P157 HydrophobicContact CG-CG 4.36Å; F21-P157 HydrophobicContact CZ-CB 4.32Å; V121-P157 HydrophobicContact CG1-CB 3.88Å; V121-P157 HydrophobicContact CG1-CG 3.89Å; L122-P157 CarbonylContact O-C 3.56Å; L122-P157 WeakPolarHBondContact O-CA 3.4Å; Y123-P157 HydrophobicContact CE1-CB 4.2Å; Y123-P157 HydrophobicContact CE1-CG 3.75Å; P157-V160 HydrophobicContact CB-CG2 3.8Å; P157-V160 HydrophobicContact CG-CG2 4.29Å
158T96.7Very high95.3Very high7 Ų746.5 Ų46.54%0.04324%0.239CC..SBendtrans-97-28.7172.5600000112.1P23 S24 L122 E124P23-T158 WeakPolarHBondContact CA-O 3.27Å; S24-T158 PolarHBondContact N-O 3.26Å; S24-T158 VanDerWaalsContact OG-CB 3.27Å; S24-T158 WeakPolarHBondContact OG-CB 3.36Å; S24-T158 WeakPolarHBondContact OG-CG2 3.32Å; L122-T158 PolarHBondContact O-N 2.82Å; L122-T158 PolarHBondContact O-OG1 3.04Å; E124-T158 HydrophobicContact CB-CG2 3.78Å
159A97Very high94.7Very high7 Ų751 Ų516%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-153149.5172.600000110.7I25 M27 L122I25-A159 HydrophobicContact CG1-CB 4.47Å; M27-A159 HydrophobicContact CB-CB 3.64Å; M27-A159 HydrophobicContact CE-CB 4.19Å; L122-A159 HydrophobicContact CB-CB 4.19Å; L122-A159 HydrophobicContact CD2-CB 4.24Å; L122-A159 PolarHBondContact N-O 2.97Å
160V97.5Very high93.7Very high14 Ų1454.7 Ų54.79%0.08530%0.3CS..EExtended strand (participates in β ladder)trans-141.6136173.7178.90000109.1L8 V13 V18 F21 V119 L120 V121 P157L8-V160 HydrophobicContact CD1-CB 3.82Å; L8-V160 HydrophobicContact CD1-CG1 4.12Å; L8-V160 HydrophobicContact CD2-CB 4.34Å; L8-V160 HydrophobicContact CD2-CG1 3.79Å; V13-V160 HydrophobicContact CG1-CG1 3.84Å; V18-V160 HydrophobicContact CG1-CG2 4.49Å; V18-V160 HydrophobicContact CG2-CG2 4.35Å; F21-V160 HydrophobicContact CE1-CB 4.15Å; F21-V160 HydrophobicContact CE1-CG2 3.67Å; F21-V160 HydrophobicContact CE2-CG2 4.44Å; F21-V160 HydrophobicContact CZ-CB 3.84Å; F21-V160 HydrophobicContact CZ-CG2 3.53Å; V119-V160 HydrophobicContact CG1-CG1 3.72Å; L120-V160 WeakPolarHBondContact O-CA 3.38Å; V121-V160 HydrophobicContact CB-CG2 4.43Å; V121-V160 HydrophobicContact CG1-CG2 3.96Å; V121-V160 HydrophobicContact CG2-CG1 4.45Å; V121-V160 HydrophobicContact CG2-CG2 4.33Å; P157-V160 HydrophobicContact CB-CG2 3.8Å; P157-V160 HydrophobicContact CG-CG2 4.29Å
161V96.7Very high92.4Very high13 Ų1358.8 Ų58.88%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-135.4147.8166.874.20000108.8M27 A29 I36 N38 L120M27-V161 HydrophobicContact CE-CB 4.11Å; M27-V161 HydrophobicContact CE-CG1 3.7Å; A29-V161 HydrophobicContact CB-CG1 4.25Å; I36-V161 HydrophobicContact CG2-CG1 4.46Å; I36-V161 HydrophobicContact CG2-CG2 3.94Å; N38-V161 WeakPolarHBondContact OD1-CA 3.12Å; L120-V161 HydrophobicContact CB-CG1 3.93Å; L120-V161 HydrophobicContact CD1-CG1 3.99Å; L120-V161 PolarHBondContact N-O 3.26Å; L120-V161 PolarHBondContact O-N 2.87Å
162H97.1Very high90.5Very high6 Ų662.3 Ų62.33%0.02833%0.325CS..EExtended strand (participates in β ladder)trans-133.2153.8172.176.3-68.6000111.7V13 N38 G39 Y118 V119V13-H162 HydrophobicContact CG2-CB 4.08Å; N38-H162 CarbonylContact C-O 3.49Å; N38-H162 VanDerWaalsContact CA-O 3.23Å; N38-H162 WeakPolarHBondContact CA-O 3.28Å; N38-H162 PolarHBondContact OD1-N 3.19Å; N38-H162 PolarHBondContact OD1-ND1 2.69Å; G39-H162 PolarHBondContact N-CE1 2.84Å; G39-H162 PolarHBondContact N-NE2 3.35Å; G39-H162 PolarHBondContact N-O 2.95Å; Y118-H162 CarbonylContact O-C 3.29Å; Y118-H162 WeakPolarHBondContact O-CA 3.34Å; Y118-H162 WeakPolarHBondContact O-CB 3.04Å; V119-H162 HydrophobicContact CB-CB 4.35Å; V119-H162 HydrophobicContact CG1-CB 4.46Å; V119-H162 HydrophobicContact CG2-CB 3.95Å
163F97.4Very high88.8Confident0 Ų072.6 Ų72.60%036%0.362CS..EExtended strand (participates in β ladder)trans-126.9160.416966.6-89.3000110.1Y31 I36 C40 V42 M67 P109 Y118Y31-F163 HydrophobicContact CE2-CD1 4.2Å; Y31-F163 AromaticContact CE2-CE1 3.66Å; Y31-F163 HydrophobicContact CE2-CE1 3.66Å; Y31-F163 HydrophobicContact CE2-CE2 4.3Å; Y31-F163 AromaticContact CE2-CZ 3.7Å; Y31-F163 HydrophobicContact CE2-CZ 3.7Å; Y31-F163 AromaticContact CZ-CZ 3.94Å; Y31-F163 WeakPolarHBondContact OH-CE1 3.1Å; Y31-F163 WeakPolarHBondContact OH-CZ 3.22Å; I36-F163 HydrophobicContact CD1-CD1 3.93Å; I36-F163 HydrophobicContact CD1-CE1 4.33Å; I36-F163 HydrophobicContact CG2-CB 3.79Å; I36-F163 HydrophobicContact CG2-CD1 4.24Å; I36-F163 HydrophobicContact CG2-CG 4.46Å; C40-F163 WeakPolarHBondContact O-CA 3.39Å; C40-F163 WeakPolarHBondContact O-CB 3.39Å; V42-F163 HydrophobicContact CB-CD2 3.54Å; V42-F163 HydrophobicContact CB-CE2 3.91Å; V42-F163 HydrophobicContact CB-CG 4.27Å; V42-F163 HydrophobicContact CG1-CD2 4.41Å; V42-F163 HydrophobicContact CG1-CE2 4.35Å; V42-F163 HydrophobicContact CG2-CB 3.86Å; V42-F163 HydrophobicContact CG2-CD2 3.64Å; V42-F163 HydrophobicContact CG2-CE2 4.34Å; V42-F163 HydrophobicContact CG2-CG 3.85Å; M67-F163 HydrophobicContact CE-CE1 3.94Å; M67-F163 HydrophobicContact CE-CZ 3.71Å; P109-F163 HydrophobicContact CG-CE2 3.83Å; P109-F163 HydrophobicContact CG-CZ 3.81Å; Y118-F163 VanDerWaalsContact CB-CE1 3.43Å; Y118-F163 HydrophobicContact CD1-CZ 4.49Å; Y118-F163 HydrophobicContact CD2-CD2 4.18Å; Y118-F163 AromaticContact CD2-CE2 3.63Å; Y118-F163 HydrophobicContact CD2-CE2 3.63Å; Y118-F163 HydrophobicContact CD2-CZ 4.05Å; Y118-F163 HydrophobicContact CG-CD2 4.49Å; Y118-F163 HydrophobicContact CG-CE1 4.31Å; Y118-F163 AromaticContact CG-CE2 3.78Å; Y118-F163 HydrophobicContact CG-CE2 3.78Å; Y118-F163 AromaticContact CG-CZ 3.68Å; Y118-F163 HydrophobicContact CG-CZ 3.68Å; Y118-F163 PolarHBondContact N-O 2.93Å; Y118-F163 PolarHBondContact O-N 2.72Å
164N97.4Very high86.4Confident38 Ų3881.6 Ų81.620%0.20339%0.391CS..EExtended strand (participates in β ladder)trans-100.6143.5175.8-68.8-31.2000109.6G39 C40 L41 V42 I115 H116 R117G39-N164 PolarHBondContact O-ND2 2.8Å; C40-N164 PolarHBondContact O-N 2.92Å; L41-N164 CarbonylContact C-O 3.59Å; L41-N164 WeakPolarHBondContact CA-O 3.48Å; L41-N164 HydrophobicContact CD1-CB 4.45Å; V42-N164 PolarHBondContact N-O 3.25Å; I115-N164 HydrophobicContact CG2-CB 3.71Å; H116-N164 CarbonylContact O-C 3.54Å; H116-N164 VanDerWaalsContact O-CA 3.27Å; H116-N164 WeakPolarHBondContact O-CA 3.09Å; R117-N164 WeakPolarHBondContact CG-OD1 3.29Å
165S97.1Very high86Confident0 Ų085.2 Ų85.20%041%0.408CS..EExtended strand (participates in β ladder)trans-143.1147.9170.7175.80000110V42 P44 H116V42-S165 WeakPolarHBondContact O-CA 3.15Å; V42-S165 VanDerWaalsContact O-CB 3.22Å; V42-S165 WeakPolarHBondContact O-CB 3.39Å; V42-S165 PolarHBondContact O-OG 3.42Å; P44-S165 VanDerWaalsContact CD-OG 3.26Å; P44-S165 WeakPolarHBondContact CD-OG 3.44Å; P44-S165 WeakPolarHBondContact CG-OG 3.23Å; H116-S165 PolarHBondContact N-O 2.91Å; H116-S165 PolarHBondContact O-N 3.09Å
166Q96.4Very high85.5Confident80 Ų8086.9 Ų86.937%0.37440%0.401SS..EExtended strand (participates in β ladder)trans-140.7160.7-179.469.6178.523.700109.1L41 P44 P111 G114 I115 E168L41-Q166 HydrophobicContact CD1-CG 4.33Å; P44-Q166 WeakPolarHBondContact CD-O 3.43Å; P44-Q166 VanDerWaalsContact CG-O 3.29Å; P44-Q166 WeakPolarHBondContact CG-O 3.46Å; P111-Q166 VanDerWaalsContact CG-C 3.45Å; G114-Q166 WeakPolarHBondContact O-CB 3.41Å; I115-Q166 HydrophobicContact CG1-CB 4.01Å; Q166-E168 PolarHBondContact O-N 2.96Å
167R94.1Very high84.9Confident167 Ų16786.4 Ų86.463%0.6340%0.395SS*.PPolyproline II helixtrans-51.3129.2176.9-177.6177.9170.8-176.30.9110.4P111 T112P111-R167 WeakPolarHBondContact O-CB 3.09Å; T112-R167 WeakPolarHBondContact O-CD 3.31Å
168E88.6Confident84.1Confident69 Ų6991.1 Ų91.132%0.32242%0.415SS..PPolyproline II helixtrans-68.6134173.8-62.7-173.1169.800109.9R43 P44 S45 Q166 A170R43-E168 VanDerWaalsContact CB-OE1 3.23Å; R43-E168 WeakPolarHBondContact CB-OE1 3.25Å; P44-E168 HydrophobicContact CB-CG 4.4Å; P44-E168 HydrophobicContact CG-CG 4Å; S45-E168 VanDerWaalsContact CB-OE1 3.27Å; S45-E168 WeakPolarHBondContact CB-OE1 3.47Å; S45-E168 PolarHBondContact N-OE1 3.36Å; S45-E168 PolarHBondContact OG-OE1 3.43Å; S45-E168 PolarHBondContact OG-OE2 3.14Å; Q166-E168 PolarHBondContact O-N 2.96Å; E168-A170 PolarHBondContact O-N 2.95Å
169P82Confident83.4Confident110 Ų11096.3 Ų96.371%0.71444%0.439SS*.PPolyproline II helixtrans-59.2129.1170.624.2-30000108N171P169-N171 PolarHBondContact O-N 3.19Å; P169-N171 VanDerWaalsContact O-N 3.07Å
170A75.5Confident82.4Confident81 Ų81102.3 Ų102.367%0.66946%0.464SS*.PPolyproline II helixtrans-53.2122.8171.800000107.6E168 R172E168-A170 PolarHBondContact O-N 2.95Å; A170-R172 PolarHBondContact O-N 3.26Å
171N65.2Low81.4Confident158 Ų158108.6 Ų108.685%0.84549%0.491SS*.  trans-47.5105.5178.7-91.8-20.7000108.4P169 R173P169-N171 PolarHBondContact O-N 3.19Å; P169-N171 VanDerWaalsContact O-N 3.07Å; N171-R173 PolarHBondContact O-N 3.11Å
172R52.4Low80.2Confident240 Ų240115.9 Ų115.991%0.90652%0.523SS*.  trans-67.592.5164.9-82.7-175.2173.8170.8-1.5104.9A170 R174A170-R172 PolarHBondContact O-N 3.26Å; R172-R174 VanDerWaalsContact C-N 3.32Å; R172-R174 PolarHBondContact O-N 3.12Å
173R56.2Low78.8Confident244 Ų244125.1 Ų125.192%0.92156%0.564SS**  trans-54.2105.5156.5-73.8-177171.7176.4-2.3105.4N171N171-R173 PolarHBondContact O-N 3.11Å
174R43.1Very low77.1Confident314 Ų314136.5 Ų136.5100%1.18562%0.615SS**  trans-80.50158.6-85.3-170.6175.8-160.40107.9R172R172-R174 VanDerWaalsContact C-N 3.32Å; R172-R174 PolarHBondContact O-N 3.12Å

Retrieved 174 of 174 residues in 735.9 ms (Link to these results)

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