A0A077YXN6_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077YXN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 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
1M40.4Very low69.7Low238 Ų238107.9 Ų107.9100%1.17257%0.572SS**  0102.50-71.1176.1-168.600105.8G3M1-G3 PolarHBondContact O-N 2.97Å
2N51Low71.9Confident163 Ų163106.7 Ų106.787%0.87257%0.566SS**  trans-78.980.7177.8-67.87.7000106.7T4N2-T4 PolarHBondContact O-N 3.3Å; N2-T4 VanDerWaalsContact O-N 3.14Å
3G53.7Low73.8Confident63 Ų6399.2 Ų99.265%0.64953%0.526SS*.  trans-51.8122.7163.500000106.3M1 Q5M1-G3 PolarHBondContact O-N 2.97Å; G3-Q5 VanDerWaalsContact C-N 3.28Å; G3-Q5 PolarHBondContact O-N 3.17Å
4T55.7Low75.5Confident143 Ų14394.2 Ų94.288%0.87750%0.5SS*.  trans-6197.1177.3-38.30000106N2 E6N2-T4 PolarHBondContact O-N 3.3Å; N2-T4 VanDerWaalsContact O-N 3.14Å; T4-E6 PolarHBondContact O-N 2.83Å; T4-E6 VanDerWaalsContact O-N 3.15Å
5Q59.8Low76.8Confident78 Ų7888 Ų8836%0.36447%0.467SS..  trans-57.6124.6174.9-94.4-173.3-26.100106.6G3 K7G3-Q5 VanDerWaalsContact C-N 3.28Å; G3-Q5 PolarHBondContact O-N 3.17Å; Q5-K7 PolarHBondContact O-N 2.68Å
6E65.7Low77.9Confident145 Ų14586.6 Ų86.668%0.67846%0.457SS*.  trans-58.4134.3174.2-173.5179.2-160.600108.2T4 R8T4-E6 PolarHBondContact O-N 2.83Å; T4-E6 VanDerWaalsContact O-N 3.15Å; E6-R8 WeakPolarHBondContact O-CG 3.44Å; E6-R8 PolarHBondContact O-N 2.66Å; E6-R8 IonicContact OE2-NE 3.69Å; E6-R8 IonicContact OE2-NH2 3.75Å
7K73.9Confident78.5Confident113 Ų11384.8 Ų84.849%0.49145%0.451SS..  trans-68.793.5-178.2-171.1173.6-174.4158.40109.7Q5 D115 I117Q5-K7 PolarHBondContact O-N 2.68Å; K7-D115 IonicContact NZ-OD1 3.4Å; K7-D115 PolarHBondContact NZ-OD1 2.74Å; K7-D115 IonicContact NZ-OD2 2.67Å; K7-I117 HydrophobicContact CD-CD1 4.25Å; K7-I117 HydrophobicContact CD-CG1 4.07Å; K7-I117 HydrophobicContact CG-CD1 3.69Å; K7-I117 HydrophobicContact CG-CG1 3.59Å
8R83.6Confident78Confident107 Ų10790.8 Ų90.840%0.40447%0.467SS..PPolyproline II helixtrans-98.6145.2179.4-65.3-177.5-171.4173.52.5110.9E6 P10 E99E6-R8 WeakPolarHBondContact O-CG 3.44Å; E6-R8 PolarHBondContact O-N 2.66Å; E6-R8 IonicContact OE2-NE 3.69Å; E6-R8 IonicContact OE2-NH2 3.75Å; R8-P10 VanDerWaalsContact O-CD 3.29Å; R8-P10 WeakPolarHBondContact O-CD 3.38Å; R8-E99 WeakPolarHBondContact CD-OE1 3.39Å; R8-E99 IonicContact NE-OE1 3.99Å; R8-E99 IonicContact NH1-OE1 2.71Å; R8-E99 PolarHBondContact NH1-OE1 2.86Å
9I92.4Very high77.4Confident120 Ų12094.3 Ų94.362%0.61548%0.481SS*.PPolyproline II helixtrans-77.2117.1173.8-63.1171.8000106.8I117I9-I117 HydrophobicContact CG1-CD1 4.01Å
10P95.7Very high76.7Confident1 Ų197.1 Ų97.11%0.00649%0.492CS..PPolyproline II helixtrans-61.4143.1-177.2-2333.4000112R8 L45 E99 I117 R119R8-P10 VanDerWaalsContact O-CD 3.29Å; R8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-L45 HydrophobicContact CB-CD2 4.28Å; P10-E99 HydrophobicContact CB-CB 4.4Å; P10-I117 VanDerWaalsContact CD-CG2 3.45Å; P10-I117 HydrophobicContact CG-CB 4.42Å; P10-I117 HydrophobicContact CG-CG2 4.2Å; P10-I117 WeakPolarHBondContact CG-O 3.3Å; P10-R119 HydrophobicContact CB-CG 4.2Å; P10-R119 HydrophobicContact CG-CG 4.19Å; P10-R119 VanDerWaalsContact O-CZ 3.23Å; P10-R119 PolarHBondContact O-NE 2.76Å; P10-R119 PolarHBondContact O-NH2 3.39Å
11G94.4Very high76.2Confident16 Ų1693.2 Ų93.217%0.16547%0.472CS..PPolyproline II helixtrans-54.9163.3168.400000112.7L13 W97G11-L13 PolarHBondContact O-N 2.71Å; G11-W97 PolarHBondContact O-NE1 3.1Å
12N96Very high77.3Confident93 Ų9386.7 Ų86.750%0.49744%0.438SS..PPolyproline II helixtrans-74.8127.9178.1-69.8-20.2000110.2L40 R119N12-L40 HydrophobicContact CB-CB 4.41Å; N12-L40 WeakPolarHBondContact O-CB 3.29Å; N12-L40 PolarHBondContact O-N 2.8Å; N12-R119 PolarHBondContact OD1-NH1 3.37Å
13L97.7Very high78Confident9 Ų979 Ų795%0.04740%0.397CS..EExtended strand (participates in β ladder)trans-96.9118.4165.7-172.169.3000108.1G11 I15 L37 L45 L66 W97G11-L13 PolarHBondContact O-N 2.71Å; L13-I15 HydrophobicContact CD2-CD1 4.42Å; L13-I15 HydrophobicContact CD2-CG1 4.4Å; L13-I15 HydrophobicContact CG-CG1 4.35Å; L13-L37 HydrophobicContact CD1-CB 4.17Å; L13-L37 HydrophobicContact CD2-CB 4.39Å; L13-L37 HydrophobicContact CG-CB 4.43Å; L13-L45 HydrophobicContact CB-CD1 4.23Å; L13-L45 HydrophobicContact CD1-CD1 4.22Å; L13-L66 HydrophobicContact CD1-CD1 3.53Å; L13-W97 HydrophobicContact CB-CD2 3.65Å; L13-W97 VanDerWaalsContact CB-CE2 3.48Å; L13-W97 HydrophobicContact CB-CE3 4.05Å; L13-W97 HydrophobicContact CB-CG 4.1Å; L13-W97 HydrophobicContact CB-CH2 4.16Å; L13-W97 HydrophobicContact CB-CZ2 3.76Å; L13-W97 HydrophobicContact CB-CZ3 4.28Å; L13-W97 HydrophobicContact CD2-CB 4.38Å; L13-W97 HydrophobicContact CD2-CD2 3.91Å; L13-W97 HydrophobicContact CD2-CE3 3.75Å; L13-W97 HydrophobicContact CD2-CG 4.2Å; L13-W97 HydrophobicContact CD2-CZ3 4.32Å; L13-W97 HydrophobicContact CG-CD2 4.45Å
14L97.1Very high78.4Confident30 Ų3078.6 Ų78.616%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-80.2128.617117563.4000108.8E16 L37 T38 L40L14-E16 HydrophobicContact CD1-CG 4.03Å; L14-E16 HydrophobicContact CD2-CG 4.25Å; L14-E16 HydrophobicContact CG-CG 3.95Å; L14-L37 CarbonylContact O-C 3.58Å; L14-L37 WeakPolarHBondContact O-CA 3.21Å; L14-T38 PolarHBondContact N-O 3.37Å; L14-T38 PolarHBondContact O-N 3Å; L14-L40 HydrophobicContact CB-CD1 3.77Å; L14-L40 HydrophobicContact CB-CD2 4.49Å; L14-L40 HydrophobicContact CB-CG 3.95Å; L14-L40 HydrophobicContact CD2-CD1 4.39Å
15I95.5Very high78.6Confident1 Ų175.5 Ų75.51%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-118.5122.8176.8-52.2-170.1000107.9L13 R18 F35 L37 F95 W97 Q121L13-I15 HydrophobicContact CD2-CD1 4.42Å; L13-I15 HydrophobicContact CD2-CG1 4.4Å; L13-I15 HydrophobicContact CG-CG1 4.35Å; I15-R18 WeakPolarHBondContact O-CG 3.39Å; I15-F35 HydrophobicContact CG2-CD1 3.74Å; I15-F35 HydrophobicContact CG2-CE1 4.43Å; I15-L37 HydrophobicContact CB-CD2 4.15Å; I15-L37 HydrophobicContact CD1-CD2 4.08Å; I15-L37 HydrophobicContact CG1-CD2 3.77Å; I15-L37 HydrophobicContact CG2-CD2 3.77Å; I15-F95 HydrophobicContact CD1-CB 3.46Å; I15-F95 VanDerWaalsContact CD1-CB 3.46Å; I15-F95 HydrophobicContact CD1-CD2 3.73Å; I15-F95 HydrophobicContact CD1-CG 3.77Å; I15-F95 HydrophobicContact CG2-CD2 4.17Å; I15-F95 HydrophobicContact CG2-CE2 4.26Å; I15-W97 HydrophobicContact CD1-CZ3 4.35Å; I15-Q121 HydrophobicContact CD1-CB 3.83Å; I15-Q121 HydrophobicContact CD1-CG 4.18Å
16E93.6Very high78.6Confident66 Ų6678.7 Ų78.731%0.30838%0.377SS..EExtended strand (participates in β ladder)trans-130.5139179.4-66.8178.7116.500110.2L14 F35 R36L14-E16 HydrophobicContact CD1-CG 4.03Å; L14-E16 HydrophobicContact CD2-CG 4.25Å; L14-E16 HydrophobicContact CG-CG 3.95Å; E16-F35 CarbonylContact O-C 3.5Å; E16-F35 VanDerWaalsContact O-CA 3.24Å; E16-F35 WeakPolarHBondContact O-CA 3.28Å; E16-R36 PolarHBondContact N-O 3.12Å; E16-R36 PolarHBondContact O-N 2.78Å; E16-R36 IonicContact OE1-NH2 2.63Å; E16-R36 IonicContact OE2-CZ 3.87Å; E16-R36 IonicContact OE2-NE 3.42Å; E16-R36 PolarHBondContact OE2-NE 3.45Å; E16-R36 IonicContact OE2-NH2 3.4Å; E16-R36 PolarHBondContact OE2-NH2 3Å
17P87.7Confident78Confident56 Ų5677 Ų7736%0.36437%0.372SS..  cis-72.5159.81.231.6-35.3000112.8F21P17-F21 HydrophobicContact CG-CE1 3.88Å; P17-F21 HydrophobicContact CG-CZ 4.09Å
18R70.7Confident77Confident192 Ų19279.3 Ų79.373%0.72539%0.39SS*.  trans-94.2-6.4175.3-69.3-175.5179.9153.8-0.3113.6I15I15-R18 WeakPolarHBondContact O-CG 3.39Å
19E65.3Low75.3Confident157 Ų15782.9 Ų82.973%0.73441%0.411SS*.SBendtrans-78.3166.3-173.4-62.7-178.4176.900111.4F21E19-F21 WeakPolarHBondContact O-CD2 3.34Å; E19-F21 WeakPolarHBondContact O-CE2 3.31Å; E19-F21 WeakPolarHBondContact O-CZ 3.3Å
20E64.9Low73.4Confident151 Ų15185.1 Ų85.171%0.70642%0.416SS*.  trans-75.3153.9177.2-63.4-177.4167.100111.5K126E20-K126 VanDerWaalsContact OE2-CE 3.31Å; E20-K126 WeakPolarHBondContact OE2-CE 3.3Å; E20-K126 IonicContact OE2-NZ 3.87Å; E20-K126 PolarHBondContact OE2-NZ 2.93Å
21F66.3Low72Confident15 Ų1587.3 Ų87.37%0.06643%0.428CS..EExtended strand (participates in β ladder)trans-110.7134.8-166.7-60.5-89.1000111.8P17 E19 F35 V123 I124 I125 K126P17-F21 HydrophobicContact CG-CE1 3.88Å; P17-F21 HydrophobicContact CG-CZ 4.09Å; E19-F21 WeakPolarHBondContact O-CD2 3.34Å; E19-F21 WeakPolarHBondContact O-CE2 3.31Å; E19-F21 WeakPolarHBondContact O-CZ 3.3Å; F21-F35 HydrophobicContact CD1-CE2 4.49Å; F21-F35 AromaticContact CD1-CZ 3.79Å; F21-F35 HydrophobicContact CD1-CZ 3.79Å; F21-F35 HydrophobicContact CD2-CZ 4.46Å; F21-F35 AromaticContact CE1-CE1 3.46Å; F21-F35 HydrophobicContact CE1-CE1 3.46Å; F21-F35 VanDerWaalsContact CE1-CE1 3.46Å; F21-F35 AromaticContact CE1-CE2 3.99Å; F21-F35 HydrophobicContact CE1-CE2 3.99Å; F21-F35 AromaticContact CE1-CZ 3.09Å; F21-F35 HydrophobicContact CE1-CZ 3.09Å; F21-F35 AromaticContact CE2-CE1 3.95Å; F21-F35 HydrophobicContact CE2-CE1 3.95Å; F21-F35 AromaticContact CE2-CZ 3.87Å; F21-F35 HydrophobicContact CE2-CZ 3.87Å; F21-F35 HydrophobicContact CG-CZ 4.44Å; F21-F35 HydrophobicContact CZ-CD1 4.32Å; F21-F35 AromaticContact CZ-CE1 3.11Å; F21-F35 HydrophobicContact CZ-CE1 3.11Å; F21-F35 HydrophobicContact CZ-CE2 4.4Å; F21-F35 AromaticContact CZ-CZ 3.17Å; F21-F35 HydrophobicContact CZ-CZ 3.17Å; F21-V123 HydrophobicContact CD2-CB 4.4Å; F21-V123 HydrophobicContact CD2-CG1 3.04Å; F21-V123 HydrophobicContact CE2-CB 4.04Å; F21-V123 HydrophobicContact CE2-CG1 2.97Å; F21-V123 HydrophobicContact CE2-CG2 3.98Å; F21-V123 HydrophobicContact CG-CG1 3.92Å; F21-V123 HydrophobicContact CZ-CG1 3.82Å; F21-V123 HydrophobicContact CZ-CG2 4.47Å; F21-I124 WeakPolarHBondContact CD2-O 3.48Å; F21-I125 HydrophobicContact CB-CD1 4.41Å; F21-K126 WeakPolarHBondContact O-CA 3.24Å; F21-K126 WeakPolarHBondContact O-CB 3.31Å; F21-K126 WeakPolarHBondContact O-CG 3.09Å; F21-K126 PolarHBondContact O-N 2.58Å
22E63.7Low71Confident101 Ų10192.4 Ų92.447%0.47245%0.448SS..EExtended strand (participates in β ladder)trans-131.4116.7175.3-77.4175.8-165.400109.4K126 N128E22-K126 CarbonylContact C-O 3.55Å; E22-K126 VanDerWaalsContact CA-O 3.32Å; E22-K126 WeakPolarHBondContact CA-O 3.4Å; E22-K126 HydrophobicContact CG-CB 4Å; E22-K126 HydrophobicContact CG-CD 4.13Å; E22-N128 WeakPolarHBondContact CB-ND2 3.31Å; E22-N128 PolarHBondContact OE2-ND2 3.27Å
23F63.8Low70.3Confident1 Ų190.9 Ų90.90%0.00444%0.435CS..EExtended strand (participates in β ladder)trans-82.6130.4169.3-78.3-115.6000110.1W33 L57 V76 C78 F80 I125 K126 Y127 N128F23-W33 HydrophobicContact CB-CH2 3.73Å; F23-W33 HydrophobicContact CB-CZ2 4.09Å; F23-W33 AromaticContact CD1-CE3 3.86Å; F23-W33 HydrophobicContact CD1-CE3 3.86Å; F23-W33 AromaticContact CD1-CH2 2.96Å; F23-W33 HydrophobicContact CD1-CH2 2.96Å; F23-W33 AromaticContact CD1-CZ2 3.94Å; F23-W33 HydrophobicContact CD1-CZ2 3.94Å; F23-W33 AromaticContact CD1-CZ3 2.96Å; F23-W33 HydrophobicContact CD1-CZ3 2.96Å; F23-W33 HydrophobicContact CD2-CE3 4.35Å; F23-W33 AromaticContact CD2-CH2 3.88Å; F23-W33 HydrophobicContact CD2-CH2 3.88Å; F23-W33 HydrophobicContact CD2-CZ2 4.07Å; F23-W33 HydrophobicContact CD2-CZ3 4.07Å; F23-W33 HydrophobicContact CE1-CD2 4.32Å; F23-W33 AromaticContact CE1-CE3 3.27Å; F23-W33 HydrophobicContact CE1-CE3 3.27Å; F23-W33 AromaticContact CE1-CH2 3.36Å; F23-W33 HydrophobicContact CE1-CH2 3.36Å; F23-W33 HydrophobicContact CE1-CZ2 4.35Å; F23-W33 AromaticContact CE1-CZ3 2.74Å; F23-W33 HydrophobicContact CE1-CZ3 2.74Å; F23-W33 HydrophobicContact CE2-CD2 4.17Å; F23-W33 AromaticContact CE2-CE3 3.82Å; F23-W33 HydrophobicContact CE2-CE3 3.82Å; F23-W33 HydrophobicContact CE2-CH2 4.18Å; F23-W33 HydrophobicContact CE2-CZ2 4.45Å; F23-W33 AromaticContact CE2-CZ3 3.9Å; F23-W33 HydrophobicContact CE2-CZ3 3.9Å; F23-W33 HydrophobicContact CG-CE3 4.35Å; F23-W33 AromaticContact CG-CH2 3.24Å; F23-W33 HydrophobicContact CG-CH2 3.24Å; F23-W33 AromaticContact CG-CZ2 3.77Å; F23-W33 HydrophobicContact CG-CZ2 3.77Å; F23-W33 AromaticContact CG-CZ3 3.63Å; F23-W33 HydrophobicContact CG-CZ3 3.63Å; F23-W33 HydrophobicContact CZ-CD2 4.02Å; F23-W33 AromaticContact CZ-CE3 3.23Å; F23-W33 HydrophobicContact CZ-CE3 3.23Å; F23-W33 AromaticContact CZ-CH2 3.95Å; F23-W33 HydrophobicContact CZ-CH2 3.95Å; F23-W33 AromaticContact CZ-CZ3 3.27Å; F23-W33 HydrophobicContact CZ-CZ3 3.27Å; F23-L57 HydrophobicContact CE1-CD2 4.25Å; F23-L57 HydrophobicContact CE2-CD2 4.19Å; F23-L57 HydrophobicContact CZ-CD2 3.66Å; F23-V76 HydrophobicContact CZ-CG1 4.2Å; F23-C78 HydrophobicContact CD1-CB 3.92Å; F23-C78 VanDerWaalsContact CD1-SG 3.53Å; F23-C78 HydrophobicContact CE1-CB 3.21Å; F23-C78 VanDerWaalsContact CE1-SG 3.51Å; F23-C78 HydrophobicContact CZ-CB 3.87Å; F23-F80 HydrophobicContact CB-CZ 3.83Å; F23-F80 AromaticContact CD1-CE2 3.92Å; F23-F80 HydrophobicContact CD1-CE2 3.92Å; F23-F80 AromaticContact CD1-CZ 3.67Å; F23-F80 HydrophobicContact CD1-CZ 3.67Å; F23-F80 HydrophobicContact CG-CZ 4.19Å; F23-I125 HydrophobicContact CD2-CG2 3.48Å; F23-I125 VanDerWaalsContact CD2-CG2 3.48Å; F23-I125 HydrophobicContact CE2-CD1 4.36Å; F23-I125 HydrophobicContact CE2-CG2 3.35Å; F23-I125 HydrophobicContact CZ-CG2 4.35Å; F23-K126 PolarHBondContact N-O 2.94Å; F23-Y127 HydrophobicContact CB-CD1 4.01Å; F23-Y127 HydrophobicContact CD2-CD1 4.35Å; F23-Y127 HydrophobicContact CG-CD1 4.08Å; F23-Y127 HydrophobicContact CG-CE1 4.47Å; F23-N128 CarbonylContact O-C 3.55Å; F23-N128 WeakPolarHBondContact O-CA 3.44Å; F23-N128 WeakPolarHBondContact O-CB 2.89Å; F23-N128 PolarHBondContact O-N 2.72Å
24D63.1Low69.9Low55 Ų5593.2 Ų93.229%0.29445%0.45SS..EExtended strand (participates in β ladder)trans-117.7110.4177.1-172.3-18.4000109.8L26 L27D24-L26 PolarHBondContact O-N 3.27Å; D24-L26 WeakPolarHBondContact OD1-CB 2.95Å; D24-L26 PolarHBondContact OD1-N 3.31Å; D24-L27 HydrophobicContact CB-CD1 4.02Å; D24-L27 HydrophobicContact CB-CG 4.2Å; D24-L27 PolarHBondContact O-N 2.82Å
25D59.6Low69.7Low79 Ų7991.9 Ų91.942%0.42244%0.442SS..THydrogen-bonded Turntrans-66.1-18.3-177.6-164.832.4000112.5L27 F80 F129D25-L27 PolarHBondContact O-N 3.4Å; D25-F80 WeakPolarHBondContact OD1-CG 3.48Å; D25-F129 HydrophobicContact CB-CD1 4.31Å
26L59.2Low69.7Low145 Ų14597.1 Ų97.176%0.75946%0.462SS*.THydrogen-bonded Turntrans-77.1-11.1177.8-60175.1000113D24 D28D24-L26 PolarHBondContact O-N 3.27Å; D24-L26 WeakPolarHBondContact OD1-CB 2.95Å; D24-L26 PolarHBondContact OD1-N 3.31Å; L26-D28 PolarHBondContact O-N 2.93Å
27L54.3Low69.9Low110 Ų11094 Ų9458%0.57645%0.447SS*.  trans-94.983.5178.4-63.6177.1000110.1D24 D25 E29D24-L27 HydrophobicContact CB-CD1 4.02Å; D24-L27 HydrophobicContact CB-CG 4.2Å; D24-L27 PolarHBondContact O-N 2.82Å; D25-L27 PolarHBondContact O-N 3.4Å; L27-E29 PolarHBondContact O-N 2.86Å
28D51.5Low70.5Confident160 Ų16092.1 Ų92.186%0.85644%0.435SS*.THydrogen-bonded Turntrans-44.6-24-178.2-113.3-17.1000115.9L26L26-D28 PolarHBondContact O-N 2.93Å
29E49.5Very low71.8Confident183 Ų18383 Ų8386%0.85540%0.401SS*.THydrogen-bonded Turntrans-111.7-5.4-164.4-67.5-169.9167.200116.6L27L27-E29 PolarHBondContact O-N 2.86Å
30K52.7Low73.4Confident166 Ų16680.8 Ų80.872%0.72239%0.393SS*.  trans-144.864.6-178-69.6-169.7-179.4179.40114.7Q32K30-Q32 PolarHBondContact O-N 2.99Å
31N65.5Low74.9Confident47 Ų4774.4 Ų74.425%0.25137%0.368SS..  trans-74.321.5162.4-66.3-27.9000113.2W33 C77 C78 F80N31-W33 HydrophobicContact CB-CZ3 4.45Å; N31-W33 WeakPolarHBondContact O-CZ3 3.46Å; N31-C77 WeakPolarHBondContact O-CA 3.13Å; N31-C78 PolarHBondContact O-N 3.21Å; N31-F80 HydrophobicContact CB-CE2 4.45Å; N31-F80 WeakPolarHBondContact ND2-CD2 3.16Å; N31-F80 WeakPolarHBondContact OD1-CE2 2.8Å
32Q72.9Confident76.3Confident124 Ų12478.1 Ų78.158%0.57940%0.396SS*.EExtended strand (participates in β ladder)trans-122.3115.2-178.7-62.6-174.7-7.600109.4K30 V76K30-Q32 PolarHBondContact O-N 2.99Å; Q32-V76 CarbonylContact C-O 3.56Å; Q32-V76 WeakPolarHBondContact CA-O 3.38Å
33W81.4Confident77.8Confident60 Ų6076.2 Ų76.223%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-104146172.8-73-94.1000110.1F23 N31 Y75 V76F23-W33 HydrophobicContact CB-CH2 3.73Å; F23-W33 HydrophobicContact CB-CZ2 4.09Å; F23-W33 AromaticContact CD1-CE3 3.86Å; F23-W33 HydrophobicContact CD1-CE3 3.86Å; F23-W33 AromaticContact CD1-CH2 2.96Å; F23-W33 HydrophobicContact CD1-CH2 2.96Å; F23-W33 AromaticContact CD1-CZ2 3.94Å; F23-W33 HydrophobicContact CD1-CZ2 3.94Å; F23-W33 AromaticContact CD1-CZ3 2.96Å; F23-W33 HydrophobicContact CD1-CZ3 2.96Å; F23-W33 HydrophobicContact CD2-CE3 4.35Å; F23-W33 AromaticContact CD2-CH2 3.88Å; F23-W33 HydrophobicContact CD2-CH2 3.88Å; F23-W33 HydrophobicContact CD2-CZ2 4.07Å; F23-W33 HydrophobicContact CD2-CZ3 4.07Å; F23-W33 HydrophobicContact CE1-CD2 4.32Å; F23-W33 AromaticContact CE1-CE3 3.27Å; F23-W33 HydrophobicContact CE1-CE3 3.27Å; F23-W33 AromaticContact CE1-CH2 3.36Å; F23-W33 HydrophobicContact CE1-CH2 3.36Å; F23-W33 HydrophobicContact CE1-CZ2 4.35Å; F23-W33 AromaticContact CE1-CZ3 2.74Å; F23-W33 HydrophobicContact CE1-CZ3 2.74Å; F23-W33 HydrophobicContact CE2-CD2 4.17Å; F23-W33 AromaticContact CE2-CE3 3.82Å; F23-W33 HydrophobicContact CE2-CE3 3.82Å; F23-W33 HydrophobicContact CE2-CH2 4.18Å; F23-W33 HydrophobicContact CE2-CZ2 4.45Å; F23-W33 AromaticContact CE2-CZ3 3.9Å; F23-W33 HydrophobicContact CE2-CZ3 3.9Å; F23-W33 HydrophobicContact CG-CE3 4.35Å; F23-W33 AromaticContact CG-CH2 3.24Å; F23-W33 HydrophobicContact CG-CH2 3.24Å; F23-W33 AromaticContact CG-CZ2 3.77Å; F23-W33 HydrophobicContact CG-CZ2 3.77Å; F23-W33 AromaticContact CG-CZ3 3.63Å; F23-W33 HydrophobicContact CG-CZ3 3.63Å; F23-W33 HydrophobicContact CZ-CD2 4.02Å; F23-W33 AromaticContact CZ-CE3 3.23Å; F23-W33 HydrophobicContact CZ-CE3 3.23Å; F23-W33 AromaticContact CZ-CH2 3.95Å; F23-W33 HydrophobicContact CZ-CH2 3.95Å; F23-W33 AromaticContact CZ-CZ3 3.27Å; F23-W33 HydrophobicContact CZ-CZ3 3.27Å; N31-W33 HydrophobicContact CB-CZ3 4.45Å; N31-W33 WeakPolarHBondContact O-CZ3 3.46Å; W33-Y75 CarbonylContact O-C 3.57Å; W33-Y75 VanDerWaalsContact O-CA 3.28Å; W33-Y75 WeakPolarHBondContact O-CA 3.41Å; W33-V76 HydrophobicContact CB-CB 4.35Å; W33-V76 PolarHBondContact N-O 2.84Å; W33-V76 PolarHBondContact O-N 2.92Å
34V88.9Confident79.4Confident59 Ų5976.2 Ų76.236%0.35839%0.387SS..EExtended strand (participates in β ladder)trans-116.7120.2-178.1-170.90000109.6E73 Y75V34-E73 HydrophobicContact CG1-CB 3.64Å; V34-E73 HydrophobicContact CG1-CG 3.77Å; V34-Y75 HydrophobicContact CG1-CE1 4.34Å; V34-Y75 HydrophobicContact CG2-CD1 3.6Å; V34-Y75 HydrophobicContact CG2-CE1 3.58Å; V34-Y75 HydrophobicContact CG2-CG 4.43Å
35F93Very high81.1Confident1 Ų173.6 Ų73.60%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-96.7129.7166.2-70-95.1000109.6I15 E16 F21 L37 E73 A74 V76 F95 V123I15-F35 HydrophobicContact CG2-CD1 3.74Å; I15-F35 HydrophobicContact CG2-CE1 4.43Å; E16-F35 CarbonylContact O-C 3.5Å; E16-F35 VanDerWaalsContact O-CA 3.24Å; E16-F35 WeakPolarHBondContact O-CA 3.28Å; F21-F35 HydrophobicContact CD1-CE2 4.49Å; F21-F35 AromaticContact CD1-CZ 3.79Å; F21-F35 HydrophobicContact CD1-CZ 3.79Å; F21-F35 HydrophobicContact CD2-CZ 4.46Å; F21-F35 AromaticContact CE1-CE1 3.46Å; F21-F35 HydrophobicContact CE1-CE1 3.46Å; F21-F35 VanDerWaalsContact CE1-CE1 3.46Å; F21-F35 AromaticContact CE1-CE2 3.99Å; F21-F35 HydrophobicContact CE1-CE2 3.99Å; F21-F35 AromaticContact CE1-CZ 3.09Å; F21-F35 HydrophobicContact CE1-CZ 3.09Å; F21-F35 AromaticContact CE2-CE1 3.95Å; F21-F35 HydrophobicContact CE2-CE1 3.95Å; F21-F35 AromaticContact CE2-CZ 3.87Å; F21-F35 HydrophobicContact CE2-CZ 3.87Å; F21-F35 HydrophobicContact CG-CZ 4.44Å; F21-F35 HydrophobicContact CZ-CD1 4.32Å; F21-F35 AromaticContact CZ-CE1 3.11Å; F21-F35 HydrophobicContact CZ-CE1 3.11Å; F21-F35 HydrophobicContact CZ-CE2 4.4Å; F21-F35 AromaticContact CZ-CZ 3.17Å; F21-F35 HydrophobicContact CZ-CZ 3.17Å; F35-L37 HydrophobicContact CB-CD2 4.3Å; F35-E73 CarbonylContact O-C 3.45Å; F35-E73 WeakPolarHBondContact O-CA 3.3Å; F35-A74 HydrophobicContact CB-CB 4.38Å; F35-A74 PolarHBondContact N-O 2.86Å; F35-A74 PolarHBondContact O-N 2.82Å; F35-V76 HydrophobicContact CD2-CG2 3.59Å; F35-V76 HydrophobicContact CE2-CB 4.39Å; F35-V76 HydrophobicContact CE2-CG2 3.49Å; F35-V76 VanDerWaalsContact CE2-CG2 3.49Å; F35-F95 HydrophobicContact CB-CE2 4.39Å; F35-F95 HydrophobicContact CB-CZ 3.93Å; F35-F95 AromaticContact CD1-CE2 3.98Å; F35-F95 HydrophobicContact CD1-CE2 3.98Å; F35-F95 HydrophobicContact CD1-CZ 4.3Å; F35-F95 HydrophobicContact CD2-CE2 4.26Å; F35-F95 AromaticContact CD2-CZ 3.95Å; F35-F95 HydrophobicContact CD2-CZ 3.95Å; F35-F95 HydrophobicContact CE1-CE2 4.25Å; F35-F95 AromaticContact CG-CE2 3.94Å; F35-F95 HydrophobicContact CG-CE2 3.94Å; F35-F95 AromaticContact CG-CZ 3.79Å; F35-F95 HydrophobicContact CG-CZ 3.79Å; F35-V123 HydrophobicContact CE1-CG1 4.27Å; F35-V123 HydrophobicContact CE1-CG2 3.9Å; F35-V123 HydrophobicContact CZ-CB 4.49Å; F35-V123 HydrophobicContact CZ-CG1 3.88Å; F35-V123 HydrophobicContact CZ-CG2 4.29Å
36R96.4Very high83Confident111 Ų11169.9 Ų69.942%0.41935%0.353SS..EExtended strand (participates in β ladder)trans-89.9121.5164.8-175172.959.1-119.12.1109E16 V72E16-R36 PolarHBondContact N-O 3.12Å; E16-R36 PolarHBondContact O-N 2.78Å; E16-R36 IonicContact OE1-NH2 2.63Å; E16-R36 IonicContact OE2-CZ 3.87Å; E16-R36 IonicContact OE2-NE 3.42Å; E16-R36 PolarHBondContact OE2-NE 3.45Å; E16-R36 IonicContact OE2-NH2 3.4Å; E16-R36 PolarHBondContact OE2-NH2 3Å; R36-V72 WeakPolarHBondContact CA-O 3.42Å
37L98.2Very high84.8Confident0 Ų063.1 Ų63.10%032%0.317CS..EExtended strand (participates in β ladder)trans-104.3120.5172.4-46.8-179.8000108.3L13 L14 I15 F35 W47 L66 S71 V72 A74 F95L13-L37 HydrophobicContact CD1-CB 4.17Å; L13-L37 HydrophobicContact CD2-CB 4.39Å; L13-L37 HydrophobicContact CG-CB 4.43Å; L14-L37 CarbonylContact O-C 3.58Å; L14-L37 WeakPolarHBondContact O-CA 3.21Å; I15-L37 HydrophobicContact CB-CD2 4.15Å; I15-L37 HydrophobicContact CD1-CD2 4.08Å; I15-L37 HydrophobicContact CG1-CD2 3.77Å; I15-L37 HydrophobicContact CG2-CD2 3.77Å; F35-L37 HydrophobicContact CB-CD2 4.3Å; L37-W47 HydrophobicContact CD1-CD2 3.77Å; L37-W47 HydrophobicContact CD1-CE3 3.49Å; L37-W47 VanDerWaalsContact CD1-CE3 3.49Å; L37-W47 HydrophobicContact CD1-CH2 3.8Å; L37-W47 HydrophobicContact CD1-CZ2 4.1Å; L37-W47 HydrophobicContact CD1-CZ3 3.5Å; L37-W47 VanDerWaalsContact CD1-CZ3 3.5Å; L37-L66 HydrophobicContact CB-CD1 4.11Å; L37-S71 CarbonylContact O-C 3.55Å; L37-S71 WeakPolarHBondContact O-CA 3.4Å; L37-V72 HydrophobicContact CB-CG1 3.96Å; L37-V72 HydrophobicContact CD1-CG1 4.17Å; L37-V72 HydrophobicContact CG-CG1 4.32Å; L37-V72 PolarHBondContact N-O 2.85Å; L37-V72 PolarHBondContact O-N 2.97Å; L37-A74 HydrophobicContact CD1-CB 4.25Å; L37-A74 HydrophobicContact CG-CB 4.46Å; L37-F95 HydrophobicContact CD1-CD1 3.63Å; L37-F95 HydrophobicContact CD1-CE1 3.81Å; L37-F95 HydrophobicContact CD2-CD1 3.81Å; L37-F95 HydrophobicContact CD2-CD2 4.42Å; L37-F95 HydrophobicContact CD2-CE1 3.89Å; L37-F95 HydrophobicContact CD2-CE2 4.49Å; L37-F95 HydrophobicContact CD2-CG 4.09Å; L37-F95 HydrophobicContact CD2-CZ 4.24Å; L37-F95 HydrophobicContact CG-CD1 4.35Å; L37-F95 HydrophobicContact CG-CE1 4.34Å
38T98.7Very high86.9Confident18 Ų1858.2 Ų58.211%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-122.6125.2-179.8-58.50000110.8L14 L40 E70 S71L14-T38 PolarHBondContact N-O 3.37Å; L14-T38 PolarHBondContact O-N 3Å; T38-L40 HydrophobicContact CG2-CD2 3.89Å; T38-L40 PolarHBondContact O-N 3.14Å; T38-E70 WeakPolarHBondContact CA-O 3.31Å; T38-S71 WeakPolarHBondContact CB-OG 3.29Å; T38-S71 VanDerWaalsContact CG2-OG 3.3Å; T38-S71 WeakPolarHBondContact CG2-OG 3.49Å; T38-S71 WeakPolarHBondContact OG1-CB 3.38Å; T38-S71 PolarHBondContact OG1-OG 3.15Å
39N98.7Very high89.1Confident0 Ų051.4 Ų51.40%026%0.256CS..EExtended strand (participates in β ladder)trans-77.9110.9175.3179.68.5000110.6G41 H43 L45 L66 R67 S69 E70N39-G41 WeakPolarHBondContact OD1-CA 3.07Å; N39-G41 PolarHBondContact OD1-N 3.33Å; N39-H43 PolarHBondContact ND2-O 2.92Å; N39-L45 HydrophobicContact CB-CD1 4.13Å; N39-L45 VanDerWaalsContact OD1-CD1 3.31Å; N39-L45 WeakPolarHBondContact OD1-CD1 3.42Å; N39-L66 HydrophobicContact CB-CB 3.86Å; N39-L66 PolarHBondContact ND2-O 2.97Å; N39-R67 WeakPolarHBondContact CB-O 3.19Å; N39-R67 VanDerWaalsContact ND2-C 3.35Å; N39-R67 PolarHBondContact ND2-O 2.92Å; N39-S69 VanDerWaalsContact O-CA 3.31Å; N39-S69 WeakPolarHBondContact O-CA 3.17Å; N39-S69 PolarHBondContact O-N 3.19Å; N39-E70 PolarHBondContact N-O 2.84Å
40L98.2Very high91.3Very high110 Ų11045.4 Ų45.458%0.57623%0.232SC*.  trans-93.92.9176.4-56.9-175.8000113.1N12 L14 T38N12-L40 HydrophobicContact CB-CB 4.41Å; N12-L40 WeakPolarHBondContact O-CB 3.29Å; N12-L40 PolarHBondContact O-N 2.8Å; L14-L40 HydrophobicContact CB-CD1 3.77Å; L14-L40 HydrophobicContact CB-CD2 4.49Å; L14-L40 HydrophobicContact CB-CG 3.95Å; L14-L40 HydrophobicContact CD2-CD1 4.39Å; T38-L40 HydrophobicContact CG2-CD2 3.89Å; T38-L40 PolarHBondContact O-N 3.14Å
41G96.4Very high93.2Very high18 Ų1838.9 Ų38.919%0.18621%0.205CC..SBendtrans-83.6174176.700000113.4N39 P68N39-G41 WeakPolarHBondContact OD1-CA 3.07Å; N39-G41 PolarHBondContact OD1-N 3.33Å; G41-P68 WeakPolarHBondContact O-CB 3.17Å
42S95.9Very high94.4Very high92 Ų9239.9 Ų39.964%0.64321%0.21SC*.SBendtrans-94.6-2.8175.955.10000114.1P68S42-P68 VanDerWaalsContact C-CG 3.4Å; S42-P68 VanDerWaalsContact O-CG 3.3Å; S42-P68 WeakPolarHBondContact O-CG 3.48Å
43H96.5Very high95.1Very high62 Ų6235.2 Ų35.229%0.28719%0.189SC..SBendtrans-127.2162.2179.5-65.3-61.4000111.2N39 E99 D102N39-H43 PolarHBondContact ND2-O 2.92Å; H43-E99 HydrophobicContact CB-CG 3.61Å; H43-E99 IonicContact CD2-OE1 3.3Å; H43-E99 PolarHBondContact CD2-OE1 2.72Å; H43-E99 VanDerWaalsContact CD2-OE1 3.3Å; H43-E99 IonicContact CD2-OE2 3.51Å; H43-E99 IonicContact CG-OE1 3.49Å; H43-E99 IonicContact CG-OE2 3.86Å; H43-D102 IonicContact CE1-OD2 3.9Å; H43-D102 IonicContact CG-OD2 3.95Å; H43-D102 IonicContact ND1-OD2 2.97Å; H43-D102 PolarHBondContact ND1-OD2 3.24Å
44T97.5Very high95.2Very high1 Ų141.3 Ų41.31%0.00621%0.212CC..  trans-65.8133.2177.2-56.80000110.7L65 L66 R67 V100 D102T44-L65 HydrophobicContact CG2-CB 4.3Å; T44-L65 HydrophobicContact CG2-CD2 4.49Å; T44-L66 WeakPolarHBondContact CA-O 3.49Å; T44-R67 WeakPolarHBondContact OG1-CD 3.07Å; T44-R67 PolarHBondContact OG1-NH1 2.99Å; T44-V100 HydrophobicContact CG2-CG2 3.74Å; T44-V100 PolarHBondContact O-N 2.63Å; T44-D102 VanDerWaalsContact CB-OD1 3.28Å; T44-D102 WeakPolarHBondContact CB-OD1 3.31Å; T44-D102 PolarHBondContact N-OD1 2.9Å; T44-D102 PolarHBondContact OG1-OD1 2.67Å
45L98.4Very high94.9Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-104.6134.3172.2-59.9-179.8000109.9P10 L13 N39 L65 L66 W97 T98 E99P10-L45 HydrophobicContact CB-CD2 4.28Å; L13-L45 HydrophobicContact CB-CD1 4.23Å; L13-L45 HydrophobicContact CD1-CD1 4.22Å; N39-L45 HydrophobicContact CB-CD1 4.13Å; N39-L45 VanDerWaalsContact OD1-CD1 3.31Å; N39-L45 WeakPolarHBondContact OD1-CD1 3.42Å; L45-L65 CarbonylContact O-C 3.54Å; L45-L65 VanDerWaalsContact O-CA 3.31Å; L45-L65 WeakPolarHBondContact O-CA 3.14Å; L45-L66 PolarHBondContact N-O 3.19Å; L45-L66 PolarHBondContact O-N 2.92Å; L45-W97 HydrophobicContact CD1-CG 4.41Å; L45-T98 CarbonylContact C-O 3.52Å; L45-T98 VanDerWaalsContact CA-O 3.3Å; L45-T98 WeakPolarHBondContact CA-O 3.36Å; L45-E99 HydrophobicContact CD2-CB 4.22Å
46A98.3Very high94.4Very high0 Ų046.6 Ų46.60%023%0.231CC..EExtended strand (participates in β ladder)trans-89.4134.1157.100000108.1L65 W97 T98 V100 F107 V111 F112A46-L65 HydrophobicContact CB-CD2 3.78Å; A46-W97 CarbonylContact O-C 3.45Å; A46-W97 WeakPolarHBondContact O-CA 3.32Å; A46-W97 VanDerWaalsContact O-CB 3.31Å; A46-W97 WeakPolarHBondContact O-CB 3.37Å; A46-T98 HydrophobicContact CB-CG2 4.42Å; A46-T98 PolarHBondContact N-O 3.26Å; A46-T98 PolarHBondContact O-N 3.41Å; A46-V100 HydrophobicContact CB-CG1 3.61Å; A46-V100 HydrophobicContact CB-CG2 4.29Å; A46-F107 HydrophobicContact CB-CD2 4.18Å; A46-F107 HydrophobicContact CB-CE2 4.17Å; A46-V111 HydrophobicContact CB-CG2 3.66Å; A46-F112 HydrophobicContact CB-CE2 3.97Å; A46-F112 HydrophobicContact CB-CZ 4.29Å; A46-F112 WeakPolarHBondContact O-CZ 3.4Å
47W98.5Very high93.9Very high3 Ų341.4 Ų41.41%0.01121%0.211CC..EExtended strand (participates in β ladder)trans-131.9151.4179.570.8-85.9000111.3L37 T49 P61 C63 G64 L66 V72 A74 F95 Q96 W97 F107L37-W47 HydrophobicContact CD1-CD2 3.77Å; L37-W47 HydrophobicContact CD1-CE3 3.49Å; L37-W47 VanDerWaalsContact CD1-CE3 3.49Å; L37-W47 HydrophobicContact CD1-CH2 3.8Å; L37-W47 HydrophobicContact CD1-CZ2 4.1Å; L37-W47 HydrophobicContact CD1-CZ3 3.5Å; L37-W47 VanDerWaalsContact CD1-CZ3 3.5Å; W47-T49 HydrophobicContact CZ3-CG2 3.88Å; W47-P61 HydrophobicContact CH2-CG 3.98Å; W47-P61 WeakPolarHBondContact CH2-O 3.4Å; W47-P61 HydrophobicContact CZ2-CG 3.96Å; W47-C63 CarbonylContact O-C 3.5Å; W47-C63 WeakPolarHBondContact O-CA 3.19Å; W47-C63 WeakPolarHBondContact O-CB 3.47Å; W47-G64 VanDerWaalsContact CD1-C 3.49Å; W47-G64 PolarHBondContact N-O 2.92Å; W47-G64 PolarHBondContact O-N 2.71Å; W47-L66 HydrophobicContact CG-CD1 4.37Å; W47-V72 HydrophobicContact CH2-CG1 4.3Å; W47-V72 HydrophobicContact CZ2-CG1 3.5Å; W47-V72 HydrophobicContact CZ2-CG2 4.3Å; W47-A74 HydrophobicContact CH2-CB 4.16Å; W47-A74 HydrophobicContact CZ3-CB 4.47Å; W47-F95 HydrophobicContact CE3-CD1 4.37Å; W47-F95 HydrophobicContact CZ3-CD1 4.29Å; W47-F95 HydrophobicContact CZ3-CE1 4.39Å; W47-Q96 CarbonylContact C-O 3.54Å; W47-Q96 WeakPolarHBondContact CA-O 3.43Å; W47-W97 HydrophobicContact CB-CB 3.96Å; W47-F107 VanDerWaalsContact O-CE2 3.22Å; W47-F107 WeakPolarHBondContact O-CE2 3.48Å
48L98.4Very high93.5Very high7 Ų746.4 Ų46.44%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-147.7155.4173.662.780.3000111.5V50 P62 C63 Q96 F107 F112L48-V50 HydrophobicContact CD1-CG2 3.4Å; L48-V50 VanDerWaalsContact CD1-CG2 3.4Å; L48-P62 CarbonylContact C-O 3.57Å; L48-P62 WeakPolarHBondContact CA-O 3.36Å; L48-C63 HydrophobicContact CB-CB 3.77Å; L48-Q96 HydrophobicContact CD1-CB 4.03Å; L48-Q96 HydrophobicContact CD1-CG 4.46Å; L48-Q96 HydrophobicContact CG-CB 4.44Å; L48-Q96 PolarHBondContact N-O 3.01Å; L48-Q96 PolarHBondContact O-N 2.8Å; L48-F107 HydrophobicContact CB-CE2 4.49Å; L48-F107 HydrophobicContact CB-CZ 4.16Å; L48-F107 HydrophobicContact CD2-CZ 4.14Å; L48-F112 HydrophobicContact CD2-CD1 3.97Å; L48-F112 HydrophobicContact CD2-CD2 3.61Å; L48-F112 HydrophobicContact CD2-CE1 3.96Å; L48-F112 HydrophobicContact CD2-CE2 3.62Å; L48-F112 HydrophobicContact CD2-CG 3.8Å; L48-F112 HydrophobicContact CD2-CZ 3.79Å; L48-F112 HydrophobicContact CG-CD1 4.42Å; L48-F112 HydrophobicContact CG-CE1 3.98Å; L48-F112 HydrophobicContact CG-CE2 4.14Å; L48-F112 HydrophobicContact CG-CZ 3.83Å
49T97.5Very high93.3Very high18 Ų1845.6 Ų45.611%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-95.6136.2171.757.40000110.9W47 V59 P62 I93 S94 F95W47-T49 HydrophobicContact CZ3-CG2 3.88Å; T49-V59 HydrophobicContact CG2-CB 3.96Å; T49-V59 HydrophobicContact CG2-CG1 3.7Å; T49-V59 HydrophobicContact CG2-CG2 4.19Å; T49-P62 PolarHBondContact N-O 3.4Å; T49-P62 WeakPolarHBondContact OG1-CA 3.24Å; T49-P62 PolarHBondContact OG1-O 2.97Å; T49-P62 VanDerWaalsContact OG1-O 3.05Å; T49-I93 HydrophobicContact CG2-CG2 4.49Å; T49-S94 CarbonylContact C-O 3.57Å; T49-S94 WeakPolarHBondContact CA-O 3.16Å; T49-F95 HydrophobicContact CG2-CD1 3.57Å; T49-F95 HydrophobicContact CG2-CE1 3.41Å; T49-F95 VanDerWaalsContact CG2-CE1 3.41Å; T49-F95 HydrophobicContact CG2-CZ 4.32Å
50V96Very high93.1Very high56 Ų5653.7 Ų53.734%0.33927%0.265SS..EExtended strand (participates in β ladder)trans-119121.8168.7-178.10000108.4L48 S94 Q96L48-V50 HydrophobicContact CD1-CG2 3.4Å; L48-V50 VanDerWaalsContact CD1-CG2 3.4Å; V50-S94 PolarHBondContact N-O 2.92Å; V50-S94 PolarHBondContact O-N 2.75Å; V50-Q96 HydrophobicContact CG2-CG 4.36Å
51I92.3Very high93Very high30 Ų3050 Ų5015%0.15425%0.248CC..EExtended strand (participates in β ladder)trans-114.3131.1-176.2-48.2172.7000107.6L57 V59 I93I51-L57 HydrophobicContact CG2-CB 3.65Å; I51-L57 HydrophobicContact CG2-CD1 4.18Å; I51-V59 HydrophobicContact CD1-CB 4.4Å; I51-V59 HydrophobicContact CD1-CG2 3.73Å; I51-V59 HydrophobicContact CG1-CG2 4.23Å; I51-I93 HydrophobicContact CG1-CG1 4.38Å; I51-I93 HydrophobicContact CG2-CG1 4.35Å
52N90.6Very high93.1Very high68 Ų6852 Ų5236%0.36426%0.258SS..SBendtrans-79-29.8178.176.5-49.8000112.6D91 H92N52-D91 PolarHBondContact ND2-OD1 2.83Å; N52-D91 WeakPolarHBondContact OD1-CA 3.07Å; N52-H92 PolarHBondContact N-O 2.77Å; N52-H92 PolarHBondContact OD1-N 2.86Å; N52-H92 PolarHBondContact OD1-O 2.82Å; N52-H92 VanDerWaalsContact OD1-O 3.1Å
53N86.8Confident93.2Very high25 Ų2549.6 Ų49.613%0.13424%0.24CC..  trans-117.962.7-179.1-167.43.9000111.6K55 L56 L57 D91N53-K55 PolarHBondContact O-N 3.48Å; N53-L56 PolarHBondContact O-N 2.83Å; N53-L57 PolarHBondContact O-N 2.86Å; N53-D91 HydrophobicContact CB-CB 4.46Å; N53-D91 PolarHBondContact ND2-OD2 2.81Å
54W84.2Confident93.3Very high188 Ų18847.3 Ų47.371%0.71223%0.233SC*.THydrogen-bonded Turntrans-60.2-13.1178.962.9-94000114.5L56 L57W54-L56 VanDerWaalsContact C-N 3.3Å; W54-L57 WeakPolarHBondContact CA-O 3.32Å
55K82.5Confident93.4Very high157 Ų15748.9 Ų48.968%0.68324%0.241SC*.THydrogen-bonded Turntrans-75.8-22.7175.8-65.4-172.8179.1-174.60112.9N53N53-K55 PolarHBondContact O-N 3.48Å
56L82.1Confident93.4Very high15 Ų1549 Ų498%0.07924%0.242CC..THydrogen-bonded Turntrans-113.8-39.6-176.3-179.455.6000110.5N53 W54 C78 E79 V84 Y127N53-L56 PolarHBondContact O-N 2.83Å; W54-L56 VanDerWaalsContact C-N 3.3Å; L56-C78 HydrophobicContact CD1-CB 4.36Å; L56-C78 HydrophobicContact CG-CB 4.28Å; L56-C78 CarbonylContact O-C 3.49Å; L56-C78 WeakPolarHBondContact O-CA 3.49Å; L56-C78 WeakPolarHBondContact O-CB 3.26Å; L56-E79 WeakPolarHBondContact CD1-O 3.49Å; L56-E79 PolarHBondContact O-N 3.46Å; L56-V84 HydrophobicContact CD2-CG1 4.06Å; L56-Y127 HydrophobicContact CD2-CE1 3.6Å; L56-Y127 WeakPolarHBondContact CD2-OH 3.36Å; L56-Y127 HydrophobicContact CG-CE1 4.27Å
57L86.7Confident93.4Very high1 Ų152.1 Ų52.11%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-110.3138.7-173.6-66.8164.1000110.9F23 I51 N53 W54 V76 C77 C78 D91 I93 I125 Y127F23-L57 HydrophobicContact CE1-CD2 4.25Å; F23-L57 HydrophobicContact CE2-CD2 4.19Å; F23-L57 HydrophobicContact CZ-CD2 3.66Å; I51-L57 HydrophobicContact CG2-CB 3.65Å; I51-L57 HydrophobicContact CG2-CD1 4.18Å; N53-L57 PolarHBondContact O-N 2.86Å; W54-L57 WeakPolarHBondContact CA-O 3.32Å; L57-V76 HydrophobicContact CD2-CG1 4.22Å; L57-C77 WeakPolarHBondContact CA-O 3.33Å; L57-C78 HydrophobicContact CD2-CB 3.43Å; L57-C78 VanDerWaalsContact CD2-CB 3.43Å; L57-C78 HydrophobicContact CG-CB 4.24Å; L57-D91 HydrophobicContact CD1-CB 4.25Å; L57-I93 HydrophobicContact CD1-CG1 4.48Å; L57-I125 HydrophobicContact CD1-CB 4.39Å; L57-I125 HydrophobicContact CD1-CG1 3.86Å; L57-I125 HydrophobicContact CD1-CG2 4.48Å; L57-I125 HydrophobicContact CD2-CG2 4.36Å; L57-Y127 WeakPolarHBondContact CD1-OH 2.98Å
58D90.4Very high93.3Very high105 Ų10554.4 Ų54.456%0.56127%0.269SS*.EExtended strand (participates in β ladder)trans-133.6157.8169.4-160.76.8000110.7V76 C77D58-V76 CarbonylContact O-C 3.56Å; D58-V76 WeakPolarHBondContact O-CA 3.28Å; D58-C77 PolarHBondContact N-O 2.92Å; D58-C77 PolarHBondContact O-N 2.86Å
59V93.3Very high93.3Very high2 Ų259 Ų591%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-132.3130176.2-171.70000111.5T49 I51 P61 P62 A74 Y75 V76 I93T49-V59 HydrophobicContact CG2-CB 3.96Å; T49-V59 HydrophobicContact CG2-CG1 3.7Å; T49-V59 HydrophobicContact CG2-CG2 4.19Å; I51-V59 HydrophobicContact CD1-CB 4.4Å; I51-V59 HydrophobicContact CD1-CG2 3.73Å; I51-V59 HydrophobicContact CG1-CG2 4.23Å; V59-P61 CarbonylContact O-C 3.51Å; V59-P62 WeakPolarHBondContact O-CA 3.27Å; V59-P62 WeakPolarHBondContact O-CB 3.33Å; V59-A74 HydrophobicContact CG1-CB 3.9Å; V59-Y75 CarbonylContact C-O 3.49Å; V59-Y75 VanDerWaalsContact CA-O 3.26Å; V59-Y75 WeakPolarHBondContact CA-O 3.41Å; V59-V76 HydrophobicContact CG1-CG2 4.29Å; V59-V76 HydrophobicContact CG2-CB 4.47Å; V59-V76 HydrophobicContact CG2-CG2 3.81Å; V59-I93 HydrophobicContact CG2-CD1 3.9Å; V59-I93 HydrophobicContact CG2-CG2 4.08Å
60Y94.6Very high93.4Very high170 Ų17062.5 Ų62.567%0.66732%0.317SS*.EExtended strand (participates in β ladder)trans-126130175.9-175.6-98.7000112.8Y75Y60-Y75 PolarHBondContact N-O 2.77Å; Y60-Y75 WeakPolarHBondContact O-CB 3.18Å; Y60-Y75 WeakPolarHBondContact O-CD2 3.38Å; Y60-Y75 PolarHBondContact O-N 2.71Å
61P97.3Very high93.5Very high32 Ų3263 Ų6321%0.20832%0.323CS..SBendcis-65.3149.9-13.629-32.1000110.4W47 V59 C63 V72 E73W47-P61 HydrophobicContact CH2-CG 3.98Å; W47-P61 WeakPolarHBondContact CH2-O 3.4Å; W47-P61 HydrophobicContact CZ2-CG 3.96Å; V59-P61 CarbonylContact O-C 3.51Å; P61-C63 VanDerWaalsContact C-N 3.29Å; P61-V72 HydrophobicContact CG-CG2 3.96Å; P61-E73 VanDerWaalsContact CD-O 3.28Å; P61-E73 WeakPolarHBondContact CD-O 3.45Å
62P97.2Very high93.8Very high61 Ų6163.3 Ų63.340%0.39633%0.326SS..  trans-80.1-14.9-179.931.6-36000112.6L48 T49 V59L48-P62 CarbonylContact C-O 3.57Å; L48-P62 WeakPolarHBondContact CA-O 3.36Å; T49-P62 PolarHBondContact N-O 3.4Å; T49-P62 WeakPolarHBondContact OG1-CA 3.24Å; T49-P62 PolarHBondContact OG1-O 2.97Å; T49-P62 VanDerWaalsContact OG1-O 3.05Å; V59-P62 WeakPolarHBondContact O-CA 3.27Å; V59-P62 WeakPolarHBondContact O-CB 3.33Å
63C98.6Very high94.1Very high41 Ų4164.5 Ų64.528%0.27733%0.329SS..EExtended strand (participates in β ladder)trans-163.1168.9-178.358.70000111.2W47 L48 P61 F107W47-C63 CarbonylContact O-C 3.5Å; W47-C63 WeakPolarHBondContact O-CA 3.19Å; W47-C63 WeakPolarHBondContact O-CB 3.47Å; L48-C63 HydrophobicContact CB-CB 3.77Å; P61-C63 VanDerWaalsContact C-N 3.29Å; C63-F107 HydrophobicContact CB-CD1 4.14Å; C63-F107 HydrophobicContact CB-CD2 4.16Å; C63-F107 HydrophobicContact CB-CE1 3.81Å; C63-F107 HydrophobicContact CB-CE2 3.79Å; C63-F107 HydrophobicContact CB-CG 4.31Å; C63-F107 HydrophobicContact CB-CZ 3.62Å; C63-F107 VanDerWaalsContact SG-CE1 3.6Å
64G98.6Very high94.5Very high14 Ų1463.3 Ų63.314%0.14432%0.323CS..EExtended strand (participates in β ladder)trans175-173.817400000113.5W47 F107W47-G64 VanDerWaalsContact CD1-C 3.49Å; W47-G64 PolarHBondContact N-O 2.92Å; W47-G64 PolarHBondContact O-N 2.71Å; G64-F107 WeakPolarHBondContact O-CD2 3.31Å
65L98.6Very high94.9Very high33 Ų3358.3 Ų58.317%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-105145.3168.1-60.3-179.5000109T44 L45 A46 V100 L104 F107T44-L65 HydrophobicContact CG2-CB 4.3Å; T44-L65 HydrophobicContact CG2-CD2 4.49Å; L45-L65 CarbonylContact O-C 3.54Å; L45-L65 VanDerWaalsContact O-CA 3.31Å; L45-L65 WeakPolarHBondContact O-CA 3.14Å; A46-L65 HydrophobicContact CB-CD2 3.78Å; L65-V100 HydrophobicContact CD2-CG2 4.19Å; L65-L104 HydrophobicContact CD1-CD2 4.34Å; L65-L104 HydrophobicContact CD1-CG 4.18Å; L65-L104 WeakPolarHBondContact CD1-O 3.34Å; L65-L104 HydrophobicContact CD2-CD2 4.03Å; L65-F107 HydrophobicContact CD2-CD2 4.48Å; L65-F107 HydrophobicContact CG-CB 4.39Å
66L98.6Very high95.2Very high4 Ų450.9 Ų50.92%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-129112.9170.9-75169.2000108.8L13 L37 N39 T44 L45 W47 E70 V72L13-L66 HydrophobicContact CD1-CD1 3.53Å; L37-L66 HydrophobicContact CB-CD1 4.11Å; N39-L66 HydrophobicContact CB-CB 3.86Å; N39-L66 PolarHBondContact ND2-O 2.97Å; T44-L66 WeakPolarHBondContact CA-O 3.49Å; L45-L66 PolarHBondContact N-O 3.19Å; L45-L66 PolarHBondContact O-N 2.92Å; W47-L66 HydrophobicContact CG-CD1 4.37Å; L66-E70 HydrophobicContact CD2-CB 4.01Å; L66-V72 HydrophobicContact CD1-CG1 4.07Å; L66-V72 HydrophobicContact CD2-CB 4Å; L66-V72 HydrophobicContact CD2-CG1 3.83Å; L66-V72 HydrophobicContact CG-CG1 4.27Å
67R98.2Very high95.3Very high64 Ų6452 Ų5224%0.24228%0.281CS..  trans-68.6165171.3-52.6-57.1-177.8170.65.5110.6N39 T44 S69 E70 D102 L104N39-R67 WeakPolarHBondContact CB-O 3.19Å; N39-R67 VanDerWaalsContact ND2-C 3.35Å; N39-R67 PolarHBondContact ND2-O 2.92Å; T44-R67 WeakPolarHBondContact OG1-CD 3.07Å; T44-R67 PolarHBondContact OG1-NH1 2.99Å; R67-S69 PolarHBondContact O-N 2.87Å; R67-E70 HydrophobicContact CB-CB 4.47Å; R67-E70 HydrophobicContact CB-CG 3.83Å; R67-E70 WeakPolarHBondContact CB-OE2 3.28Å; R67-E70 VanDerWaalsContact CG-CD 3.47Å; R67-E70 HydrophobicContact CG-CG 4.47Å; R67-E70 WeakPolarHBondContact CG-OE1 3.37Å; R67-E70 VanDerWaalsContact CG-OE2 3.3Å; R67-E70 WeakPolarHBondContact CG-OE2 3.34Å; R67-E70 PolarHBondContact N-OE2 2.63Å; R67-E70 WeakPolarHBondContact O-CB 3.22Å; R67-E70 PolarHBondContact O-N 2.77Å; R67-D102 PolarHBondContact NH1-O 3.29Å; R67-L104 PolarHBondContact NH1-O 3.2Å; R67-L104 PolarHBondContact NH2-O 3.1Å
68P98.1Very high95Very high52 Ų5252.2 Ų52.234%0.33828%0.282SS..THydrogen-bonded Turntrans-49.7130.6174.5-3139.2000111.8G41 S42 E70G41-P68 WeakPolarHBondContact O-CB 3.17Å; S42-P68 VanDerWaalsContact C-CG 3.4Å; S42-P68 VanDerWaalsContact O-CG 3.3Å; S42-P68 WeakPolarHBondContact O-CG 3.48Å; P68-E70 PolarHBondContact O-N 2.69Å
69S97.9Very high94.1Very high103 Ų10354 Ų5472%0.7229%0.288SS*.THydrogen-bonded Turntrans66.10.3-177.4-47.30000116.5N39 R67N39-S69 VanDerWaalsContact O-CA 3.31Å; N39-S69 WeakPolarHBondContact O-CA 3.17Å; N39-S69 PolarHBondContact O-N 3.19Å; R67-S69 PolarHBondContact O-N 2.87Å
70E98.5Very high92.8Very high92 Ų9255.9 Ų55.943%0.4330%0.296SS..  trans-72.8153.7172.6-75.5-177.4172.400111.6T38 N39 L66 R67 P68T38-E70 WeakPolarHBondContact CA-O 3.31Å; N39-E70 PolarHBondContact N-O 2.84Å; L66-E70 HydrophobicContact CD2-CB 4.01Å; R67-E70 HydrophobicContact CB-CB 4.47Å; R67-E70 HydrophobicContact CB-CG 3.83Å; R67-E70 WeakPolarHBondContact CB-OE2 3.28Å; R67-E70 VanDerWaalsContact CG-CD 3.47Å; R67-E70 HydrophobicContact CG-CG 4.47Å; R67-E70 WeakPolarHBondContact CG-OE1 3.37Å; R67-E70 VanDerWaalsContact CG-OE2 3.3Å; R67-E70 WeakPolarHBondContact CG-OE2 3.34Å; R67-E70 PolarHBondContact N-OE2 2.63Å; R67-E70 WeakPolarHBondContact O-CB 3.22Å; R67-E70 PolarHBondContact O-N 2.77Å; P68-E70 PolarHBondContact O-N 2.69Å
71S98.6Very high91Very high65 Ų6551.4 Ų51.446%0.45529%0.286SS..EExtended strand (participates in β ladder)trans-132149.7174.5-54.50000111.2L37 T38L37-S71 CarbonylContact O-C 3.55Å; L37-S71 WeakPolarHBondContact O-CA 3.4Å; T38-S71 WeakPolarHBondContact CB-OG 3.29Å; T38-S71 VanDerWaalsContact CG2-OG 3.3Å; T38-S71 WeakPolarHBondContact CG2-OG 3.49Å; T38-S71 WeakPolarHBondContact OG1-CB 3.38Å; T38-S71 PolarHBondContact OG1-OG 3.15Å
72V98.5Very high89Confident37 Ų3760.2 Ų60.222%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-134.8147.2172.665.60000109.8R36 L37 W47 P61 L66R36-V72 WeakPolarHBondContact CA-O 3.42Å; L37-V72 HydrophobicContact CB-CG1 3.96Å; L37-V72 HydrophobicContact CD1-CG1 4.17Å; L37-V72 HydrophobicContact CG-CG1 4.32Å; L37-V72 PolarHBondContact N-O 2.85Å; L37-V72 PolarHBondContact O-N 2.97Å; W47-V72 HydrophobicContact CH2-CG1 4.3Å; W47-V72 HydrophobicContact CZ2-CG1 3.5Å; W47-V72 HydrophobicContact CZ2-CG2 4.3Å; P61-V72 HydrophobicContact CG-CG2 3.96Å; L66-V72 HydrophobicContact CD1-CG1 4.07Å; L66-V72 HydrophobicContact CD2-CB 4Å; L66-V72 HydrophobicContact CD2-CG1 3.83Å; L66-V72 HydrophobicContact CG-CG1 4.27Å
73E96.6Very high86.8Confident94 Ų9461 Ų6144%0.43933%0.332SS..EExtended strand (participates in β ladder)trans-93.7118.9170.8-72.2-174.4160.300109.5V34 F35 P61 Y75V34-E73 HydrophobicContact CG1-CB 3.64Å; V34-E73 HydrophobicContact CG1-CG 3.77Å; F35-E73 CarbonylContact O-C 3.45Å; F35-E73 WeakPolarHBondContact O-CA 3.3Å; P61-E73 VanDerWaalsContact CD-O 3.28Å; P61-E73 WeakPolarHBondContact CD-O 3.45Å; E73-Y75 HydrophobicContact CB-CD2 4.35Å; E73-Y75 HydrophobicContact CB-CE2 3.61Å; E73-Y75 WeakPolarHBondContact O-CD2 3.33Å; E73-Y75 PolarHBondContact OE2-OH 2.87Å
74A95.5Very high84.7Confident0 Ų060.9 Ų60.90%033%0.329CS..EExtended strand (participates in β ladder)trans-101.2110.317300000109.1F35 L37 W47 V59 F95F35-A74 HydrophobicContact CB-CB 4.38Å; F35-A74 PolarHBondContact N-O 2.86Å; F35-A74 PolarHBondContact O-N 2.82Å; L37-A74 HydrophobicContact CD1-CB 4.25Å; L37-A74 HydrophobicContact CG-CB 4.46Å; W47-A74 HydrophobicContact CH2-CB 4.16Å; W47-A74 HydrophobicContact CZ3-CB 4.47Å; V59-A74 HydrophobicContact CG1-CB 3.9Å; A74-F95 HydrophobicContact CB-CE1 3.87Å; A74-F95 HydrophobicContact CB-CZ 4.31Å
75Y92Very high82.6Confident82 Ų8266.9 Ų66.932%0.32236%0.364SS..EExtended strand (participates in β ladder)trans-86.2112.8-178.7-63.5-100.8000109.3W33 V34 V59 Y60 E73W33-Y75 CarbonylContact O-C 3.57Å; W33-Y75 VanDerWaalsContact O-CA 3.28Å; W33-Y75 WeakPolarHBondContact O-CA 3.41Å; V34-Y75 HydrophobicContact CG1-CE1 4.34Å; V34-Y75 HydrophobicContact CG2-CD1 3.6Å; V34-Y75 HydrophobicContact CG2-CE1 3.58Å; V34-Y75 HydrophobicContact CG2-CG 4.43Å; V59-Y75 CarbonylContact C-O 3.49Å; V59-Y75 VanDerWaalsContact CA-O 3.26Å; V59-Y75 WeakPolarHBondContact CA-O 3.41Å; Y60-Y75 PolarHBondContact N-O 2.77Å; Y60-Y75 WeakPolarHBondContact O-CB 3.18Å; Y60-Y75 WeakPolarHBondContact O-CD2 3.38Å; Y60-Y75 PolarHBondContact O-N 2.71Å; E73-Y75 HydrophobicContact CB-CD2 4.35Å; E73-Y75 HydrophobicContact CB-CE2 3.61Å; E73-Y75 WeakPolarHBondContact O-CD2 3.33Å; E73-Y75 PolarHBondContact OE2-OH 2.87Å
76V88.9Confident80.6Confident1 Ų167.2 Ų67.21%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-90.9119.2173179.60000108.7F23 Q32 W33 F35 L57 D58 V59 I93F23-V76 HydrophobicContact CZ-CG1 4.2Å; Q32-V76 CarbonylContact C-O 3.56Å; Q32-V76 WeakPolarHBondContact CA-O 3.38Å; W33-V76 HydrophobicContact CB-CB 4.35Å; W33-V76 PolarHBondContact N-O 2.84Å; W33-V76 PolarHBondContact O-N 2.92Å; F35-V76 HydrophobicContact CD2-CG2 3.59Å; F35-V76 HydrophobicContact CE2-CB 4.39Å; F35-V76 HydrophobicContact CE2-CG2 3.49Å; F35-V76 VanDerWaalsContact CE2-CG2 3.49Å; L57-V76 HydrophobicContact CD2-CG1 4.22Å; D58-V76 CarbonylContact O-C 3.56Å; D58-V76 WeakPolarHBondContact O-CA 3.28Å; V59-V76 HydrophobicContact CG1-CG2 4.29Å; V59-V76 HydrophobicContact CG2-CB 4.47Å; V59-V76 HydrophobicContact CG2-CG2 3.81Å; V76-I93 HydrophobicContact CB-CD1 4.07Å; V76-I93 HydrophobicContact CG1-CD1 3.25Å; V76-I93 HydrophobicContact CG2-CD1 3.61Å
77C84.5Confident78.7Confident38 Ų3868.7 Ų68.726%0.25739%0.385SS..EExtended strand (participates in β ladder)trans-103.3146.1173.3-59.80000109.1N31 L57 D58N31-C77 WeakPolarHBondContact O-CA 3.13Å; L57-C77 WeakPolarHBondContact CA-O 3.33Å; D58-C77 PolarHBondContact N-O 2.92Å; D58-C77 PolarHBondContact O-N 2.86Å
78C80Confident77Confident6 Ų674.4 Ų74.44%0.04141%0.407CS..EExtended strand (participates in β ladder)trans-129.5139.4156.3121.30000114.1F23 N31 L56 L57 F80F23-C78 HydrophobicContact CD1-CB 3.92Å; F23-C78 VanDerWaalsContact CD1-SG 3.53Å; F23-C78 HydrophobicContact CE1-CB 3.21Å; F23-C78 VanDerWaalsContact CE1-SG 3.51Å; F23-C78 HydrophobicContact CZ-CB 3.87Å; N31-C78 PolarHBondContact O-N 3.21Å; L56-C78 HydrophobicContact CD1-CB 4.36Å; L56-C78 HydrophobicContact CG-CB 4.28Å; L56-C78 CarbonylContact O-C 3.49Å; L56-C78 WeakPolarHBondContact O-CA 3.49Å; L56-C78 WeakPolarHBondContact O-CB 3.26Å; L57-C78 HydrophobicContact CD2-CB 3.43Å; L57-C78 VanDerWaalsContact CD2-CB 3.43Å; L57-C78 HydrophobicContact CG-CB 4.24Å; C78-F80 WeakPolarHBondContact SG-CE2 3.43Å; C78-F80 WeakPolarHBondContact SG-CZ 3.5Å
79E72.4Confident75.4Confident144 Ų14477.2 Ų77.267%0.67343%0.427SS*.  trans-96.495-177.4-67.2-170.8171.200110L56 T81L56-E79 WeakPolarHBondContact CD1-O 3.49Å; L56-E79 PolarHBondContact O-N 3.46Å; E79-T81 PolarHBondContact O-N 3.14Å
80F65Low74.5Confident40 Ų4081.6 Ų81.618%0.17543%0.428CS..  trans-66.7122.8169.7-64.5-79.6000109.7F23 D25 N31 C78 V84 Y127 F129F23-F80 HydrophobicContact CB-CZ 3.83Å; F23-F80 AromaticContact CD1-CE2 3.92Å; F23-F80 HydrophobicContact CD1-CE2 3.92Å; F23-F80 AromaticContact CD1-CZ 3.67Å; F23-F80 HydrophobicContact CD1-CZ 3.67Å; F23-F80 HydrophobicContact CG-CZ 4.19Å; D25-F80 WeakPolarHBondContact OD1-CG 3.48Å; N31-F80 HydrophobicContact CB-CE2 4.45Å; N31-F80 WeakPolarHBondContact ND2-CD2 3.16Å; N31-F80 WeakPolarHBondContact OD1-CE2 2.8Å; C78-F80 WeakPolarHBondContact SG-CE2 3.43Å; C78-F80 WeakPolarHBondContact SG-CZ 3.5Å; F80-V84 HydrophobicContact CD1-CG2 4.05Å; F80-Y127 HydrophobicContact CE1-CD1 4.32Å; F80-Y127 HydrophobicContact CZ-CD1 4.49Å; F80-F129 AromaticContact CD1-CE1 3.82Å; F80-F129 HydrophobicContact CD1-CE1 3.82Å; F80-F129 HydrophobicContact CE1-CD1 4.44Å; F80-F129 AromaticContact CE1-CE1 3.53Å; F80-F129 HydrophobicContact CE1-CE1 3.53Å; F80-F129 HydrophobicContact CE1-CZ 4.12Å
81T57.6Low73.9Confident77 Ų7777.3 Ų77.347%0.47241%0.408SS..  trans-115.1146.3163.963.10000107E79 S83 V84E79-T81 PolarHBondContact O-N 3.14Å; T81-S83 CarbonylContact O-C 3.53Å; T81-S83 PolarHBondContact O-N 2.74Å; T81-S83 PolarHBondContact OG1-OG 2.98Å; T81-V84 WeakPolarHBondContact O-CG2 3.39Å; T81-V84 PolarHBondContact O-N 3.14Å
82E54.8Low73.4Confident217 Ų21777 Ų77100%1.01440%0.399SS*.THydrogen-bonded Turntrans-48.9-19.6179.1-63.9179.9167.500113.8
83S51.5Low73.1Confident78 Ų7875.2 Ų75.255%0.54539%0.388SS..THydrogen-bonded Turntrans-88.227.2174.872.80000116.1T81 T85T81-S83 CarbonylContact O-C 3.53Å; T81-S83 PolarHBondContact O-N 2.74Å; T81-S83 PolarHBondContact OG1-OG 2.98Å; S83-T85 PolarHBondContact O-N 2.92Å; S83-T85 PolarHBondContact O-OG1 3.06Å
84V54.1Low73Confident37 Ų3770.9 Ų70.922%0.22437%0.369CS..G310 helixtrans-67.946.6174.5-158.20000112.9L56 F80 T81 G86 C87 F129L56-V84 HydrophobicContact CD2-CG1 4.06Å; F80-V84 HydrophobicContact CD1-CG2 4.05Å; T81-V84 WeakPolarHBondContact O-CG2 3.39Å; T81-V84 PolarHBondContact O-N 3.14Å; V84-G86 PolarHBondContact O-N 2.98Å; V84-C87 HydrophobicContact CG1-CB 3.46Å; V84-C87 VanDerWaalsContact CG1-CB 3.46Å; V84-F129 HydrophobicContact CB-CE1 4.37Å; V84-F129 HydrophobicContact CB-CZ 4.32Å; V84-F129 HydrophobicContact CG1-CE1 4.29Å; V84-F129 HydrophobicContact CG1-CZ 3.82Å
85T54.8Low73Confident141 Ų14170.9 Ų70.987%0.86537%0.369SS*.G310 helixtrans-67.4-12.7154.959.50000112.1S83S83-T85 PolarHBondContact O-N 2.92Å; S83-T85 PolarHBondContact O-OG1 3.06Å
86G57.6Low73.3Confident39 Ų3968.6 Ų68.640%0.40236%0.361SS..G310 helixtrans-88.1-10.4-177.900000115.4V84 R88V84-G86 PolarHBondContact O-N 2.98Å; G86-R88 PolarHBondContact O-N 2.85Å
87C57.7Low73.8Confident35 Ų3569.2 Ų69.224%0.23636%0.363CS..  trans-63.8122.4175.6168.20000109.6V84 Y127 F129V84-C87 HydrophobicContact CG1-CB 3.46Å; V84-C87 VanDerWaalsContact CG1-CB 3.46Å; C87-Y127 HydrophobicContact CB-CD2 4.35Å; C87-Y127 HydrophobicContact CB-CE2 4.41Å; C87-Y127 WeakPolarHBondContact SG-CD2 3.34Å; C87-Y127 WeakPolarHBondContact SG-CE2 3.38Å; C87-F129 HydrophobicContact CB-CE2 3.99Å; C87-F129 HydrophobicContact CB-CZ 3.96Å
88R62.1Low74.4Confident185 Ų18567.5 Ų67.570%0.69835%0.352SS*.  trans-114.5142.3175-65.2179.6178.8-170.1-0.9108.3G86 R90 D91G86-R88 PolarHBondContact O-N 2.85Å; R88-R90 PolarHBondContact O-N 2.89Å; R88-D91 PolarHBondContact N-OD2 2.72Å; R88-D91 PolarHBondContact O-N 2.84Å; R88-D91 VanDerWaalsContact O-N 3.08Å
89S65.6Low75.2Confident110 Ų11068.2 Ų68.277%0.76935%0.354SS*.THydrogen-bonded Turntrans-62.710.1175.259.90000115.3
90R77.9Confident76.3Confident196 Ų19661.5 Ų61.574%0.7432%0.323SS*.THydrogen-bonded Turntrans-129.210.3-177.9-59.7-173.4-178.4-1760.7112.4R88 H92R88-R90 PolarHBondContact O-N 2.89Å; R90-H92 PolarHBondContact O-N 3.05Å; R90-H92 PolarHBondContact O-ND1 2.78Å
91D85.6Confident77.6Confident2 Ų263.6 Ų63.61%0.01134%0.336CS..  trans-62.2138.1172.7-68.7-16.3000109.5N52 N53 L57 R88 I125 Y127N52-D91 PolarHBondContact ND2-OD1 2.83Å; N52-D91 WeakPolarHBondContact OD1-CA 3.07Å; N53-D91 HydrophobicContact CB-CB 4.46Å; N53-D91 PolarHBondContact ND2-OD2 2.81Å; L57-D91 HydrophobicContact CD1-CB 4.25Å; R88-D91 PolarHBondContact N-OD2 2.72Å; R88-D91 PolarHBondContact O-N 2.84Å; R88-D91 VanDerWaalsContact O-N 3.08Å; D91-I125 HydrophobicContact CB-CB 4.31Å; D91-I125 PolarHBondContact O-N 2.65Å; D91-Y127 HydrophobicContact CB-CE2 3.89Å; D91-Y127 WeakPolarHBondContact CB-OH 3.37Å; D91-Y127 PolarHBondContact OD2-OH 3.16Å
92H88.5Confident79.3Confident58 Ų5863.4 Ų63.427%0.26933%0.332SS..EExtended strand (participates in β ladder)trans-155.8149.1-173.765.3-83.7000111.1N52 R90 V123 I124N52-H92 PolarHBondContact N-O 2.77Å; N52-H92 PolarHBondContact OD1-N 2.86Å; N52-H92 PolarHBondContact OD1-O 2.82Å; N52-H92 VanDerWaalsContact OD1-O 3.1Å; R90-H92 PolarHBondContact O-N 3.05Å; R90-H92 PolarHBondContact O-ND1 2.78Å; H92-V123 CarbonylContact C-O 3.56Å; H92-V123 WeakPolarHBondContact CA-O 3.01Å; H92-V123 WeakPolarHBondContact CB-O 3.16Å; H92-I124 HydrophobicContact CB-CD1 3.77Å
93I91.7Very high81.2Confident0 Ų057.2 Ų57.20%031%0.313CS..EExtended strand (participates in β ladder)trans-109.4131.4171.4-61.7173.1000106.7T49 I51 L57 V59 V76 F95 S122 V123 I125T49-I93 HydrophobicContact CG2-CG2 4.49Å; I51-I93 HydrophobicContact CG1-CG1 4.38Å; I51-I93 HydrophobicContact CG2-CG1 4.35Å; L57-I93 HydrophobicContact CD1-CG1 4.48Å; V59-I93 HydrophobicContact CG2-CD1 3.9Å; V59-I93 HydrophobicContact CG2-CG2 4.08Å; V76-I93 HydrophobicContact CB-CD1 4.07Å; V76-I93 HydrophobicContact CG1-CD1 3.25Å; V76-I93 HydrophobicContact CG2-CD1 3.61Å; I93-F95 HydrophobicContact CG2-CE2 4.13Å; I93-F95 HydrophobicContact CG2-CZ 4.22Å; I93-S122 CarbonylContact O-C 3.51Å; I93-S122 WeakPolarHBondContact O-CA 3.48Å; I93-V123 PolarHBondContact N-O 3.44Å; I93-V123 PolarHBondContact O-N 3.02Å; I93-I125 HydrophobicContact CD1-CD1 4.03Å; I93-I125 HydrophobicContact CD1-CG1 4.43Å; I93-I125 HydrophobicContact CG1-CD1 4.24Å; I93-I125 HydrophobicContact CG1-CG1 4.29Å
94S94.8Very high83.3Confident3 Ų355.9 Ų55.92%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-112.7119.3174.2-60.90000109.7T49 V50 Q121 S122T49-S94 CarbonylContact C-O 3.57Å; T49-S94 WeakPolarHBondContact CA-O 3.16Å; V50-S94 PolarHBondContact N-O 2.92Å; V50-S94 PolarHBondContact O-N 2.75Å; S94-Q121 WeakPolarHBondContact CA-O 3.39Å; S94-S122 PolarHBondContact OG-OG 3.28Å
95F96.9Very high85.3Confident0 Ų059.7 Ų59.70%032%0.323CS..EExtended strand (participates in β ladder)trans-83.6121.2164.5-62.9-83000107.9I15 F35 L37 W47 T49 A74 I93 R120 Q121I15-F95 HydrophobicContact CD1-CB 3.46Å; I15-F95 VanDerWaalsContact CD1-CB 3.46Å; I15-F95 HydrophobicContact CD1-CD2 3.73Å; I15-F95 HydrophobicContact CD1-CG 3.77Å; I15-F95 HydrophobicContact CG2-CD2 4.17Å; I15-F95 HydrophobicContact CG2-CE2 4.26Å; F35-F95 HydrophobicContact CB-CE2 4.39Å; F35-F95 HydrophobicContact CB-CZ 3.93Å; F35-F95 AromaticContact CD1-CE2 3.98Å; F35-F95 HydrophobicContact CD1-CE2 3.98Å; F35-F95 HydrophobicContact CD1-CZ 4.3Å; F35-F95 HydrophobicContact CD2-CE2 4.26Å; F35-F95 AromaticContact CD2-CZ 3.95Å; F35-F95 HydrophobicContact CD2-CZ 3.95Å; F35-F95 HydrophobicContact CE1-CE2 4.25Å; F35-F95 AromaticContact CG-CE2 3.94Å; F35-F95 HydrophobicContact CG-CE2 3.94Å; F35-F95 AromaticContact CG-CZ 3.79Å; F35-F95 HydrophobicContact CG-CZ 3.79Å; L37-F95 HydrophobicContact CD1-CD1 3.63Å; L37-F95 HydrophobicContact CD1-CE1 3.81Å; L37-F95 HydrophobicContact CD2-CD1 3.81Å; L37-F95 HydrophobicContact CD2-CD2 4.42Å; L37-F95 HydrophobicContact CD2-CE1 3.89Å; L37-F95 HydrophobicContact CD2-CE2 4.49Å; L37-F95 HydrophobicContact CD2-CG 4.09Å; L37-F95 HydrophobicContact CD2-CZ 4.24Å; L37-F95 HydrophobicContact CG-CD1 4.35Å; L37-F95 HydrophobicContact CG-CE1 4.34Å; W47-F95 HydrophobicContact CE3-CD1 4.37Å; W47-F95 HydrophobicContact CZ3-CD1 4.29Å; W47-F95 HydrophobicContact CZ3-CE1 4.39Å; T49-F95 HydrophobicContact CG2-CD1 3.57Å; T49-F95 HydrophobicContact CG2-CE1 3.41Å; T49-F95 VanDerWaalsContact CG2-CE1 3.41Å; T49-F95 HydrophobicContact CG2-CZ 4.32Å; A74-F95 HydrophobicContact CB-CE1 3.87Å; A74-F95 HydrophobicContact CB-CZ 4.31Å; I93-F95 HydrophobicContact CG2-CE2 4.13Å; I93-F95 HydrophobicContact CG2-CZ 4.22Å; F95-R120 WeakPolarHBondContact O-CA 3.47Å; F95-Q121 PolarHBondContact N-O 2.86Å; F95-Q121 PolarHBondContact O-N 3.49Å
96Q98Very high87.2Confident34 Ų3460 Ų6016%0.15932%0.315CS..EExtended strand (participates in β ladder)trans-114.8143.8177.2-61-172.418.400109.2W47 L48 V50 F112 I118 R119 R120W47-Q96 CarbonylContact C-O 3.54Å; W47-Q96 WeakPolarHBondContact CA-O 3.43Å; L48-Q96 HydrophobicContact CD1-CB 4.03Å; L48-Q96 HydrophobicContact CD1-CG 4.46Å; L48-Q96 HydrophobicContact CG-CB 4.44Å; L48-Q96 PolarHBondContact N-O 3.01Å; L48-Q96 PolarHBondContact O-N 2.8Å; V50-Q96 HydrophobicContact CG2-CG 4.36Å; Q96-F112 HydrophobicContact CB-CE1 4.32Å; Q96-I118 HydrophobicContact CB-CG2 3.97Å; Q96-I118 HydrophobicContact CG-CG2 4.46Å; Q96-R119 CarbonylContact C-O 3.52Å; Q96-R119 VanDerWaalsContact CA-O 3.27Å; Q96-R119 WeakPolarHBondContact CA-O 3.34Å; Q96-R120 HydrophobicContact CG-CB 4.08Å; Q96-R120 HydrophobicContact CG-CG 3.85Å
97W98.2Very high89.1Confident13 Ų1360.9 Ų60.95%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-150.715517768.397.8000112.6G11 L13 I15 L45 A46 W47 R119 Q121G11-W97 PolarHBondContact O-NE1 3.1Å; L13-W97 HydrophobicContact CB-CD2 3.65Å; L13-W97 VanDerWaalsContact CB-CE2 3.48Å; L13-W97 HydrophobicContact CB-CE3 4.05Å; L13-W97 HydrophobicContact CB-CG 4.1Å; L13-W97 HydrophobicContact CB-CH2 4.16Å; L13-W97 HydrophobicContact CB-CZ2 3.76Å; L13-W97 HydrophobicContact CB-CZ3 4.28Å; L13-W97 HydrophobicContact CD2-CB 4.38Å; L13-W97 HydrophobicContact CD2-CD2 3.91Å; L13-W97 HydrophobicContact CD2-CE3 3.75Å; L13-W97 HydrophobicContact CD2-CG 4.2Å; L13-W97 HydrophobicContact CD2-CZ3 4.32Å; L13-W97 HydrophobicContact CG-CD2 4.45Å; I15-W97 HydrophobicContact CD1-CZ3 4.35Å; L45-W97 HydrophobicContact CD1-CG 4.41Å; A46-W97 CarbonylContact O-C 3.45Å; A46-W97 WeakPolarHBondContact O-CA 3.32Å; A46-W97 VanDerWaalsContact O-CB 3.31Å; A46-W97 WeakPolarHBondContact O-CB 3.37Å; W47-W97 HydrophobicContact CB-CB 3.96Å; W97-R119 HydrophobicContact CD2-CB 3.8Å; W97-R119 HydrophobicContact CE3-CB 4.29Å; W97-R119 HydrophobicContact CG-CB 4.34Å; W97-R119 HydrophobicContact CH2-CB 4.03Å; W97-R119 HydrophobicContact CZ2-CB 3.49Å; W97-R119 VanDerWaalsContact CZ2-CB 3.49Å; W97-R119 HydrophobicContact CZ2-CG 4.29Å; W97-R119 HydrophobicContact CZ3-CB 4.4Å; W97-R119 PolarHBondContact N-O 3.08Å; W97-R119 PolarHBondContact O-N 2.68Å; W97-Q121 HydrophobicContact CH2-CB 4.18Å; W97-Q121 HydrophobicContact CZ3-CB 4Å
98T97.5Very high90.9Very high3 Ų363 Ų632%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-137.7158172.2-174.30000109.8L45 A46 V100 V111 F112 V116 I117L45-T98 CarbonylContact C-O 3.52Å; L45-T98 VanDerWaalsContact CA-O 3.3Å; L45-T98 WeakPolarHBondContact CA-O 3.36Å; A46-T98 HydrophobicContact CB-CG2 4.42Å; A46-T98 PolarHBondContact N-O 3.26Å; A46-T98 PolarHBondContact O-N 3.41Å; T98-V100 HydrophobicContact CG2-CG1 4.16Å; T98-V111 HydrophobicContact CG2-CG2 4.1Å; T98-F112 HydrophobicContact CG2-CD1 4.4Å; T98-F112 HydrophobicContact CG2-CE1 4.16Å; T98-F112 HydrophobicContact CG2-CE2 4.34Å; T98-F112 HydrophobicContact CG2-CZ 4.13Å; T98-V116 HydrophobicContact CG2-CG1 4.12Å; T98-V116 WeakPolarHBondContact OG1-CG1 3.35Å; T98-I117 PolarHBondContact OG1-O 2.93Å
99E96.2Very high92.5Very high20 Ų2061.9 Ų61.99%0.09331%0.312CS..EExtended strand (participates in β ladder)trans-78140.4169.1-174.6175.3123.300109.9R8 P10 H43 L45R8-E99 WeakPolarHBondContact CD-OE1 3.39Å; R8-E99 IonicContact NE-OE1 3.99Å; R8-E99 IonicContact NH1-OE1 2.71Å; R8-E99 PolarHBondContact NH1-OE1 2.86Å; P10-E99 HydrophobicContact CB-CB 4.4Å; H43-E99 HydrophobicContact CB-CG 3.61Å; H43-E99 IonicContact CD2-OE1 3.3Å; H43-E99 PolarHBondContact CD2-OE1 2.72Å; H43-E99 VanDerWaalsContact CD2-OE1 3.3Å; H43-E99 IonicContact CD2-OE2 3.51Å; H43-E99 IonicContact CG-OE1 3.49Å; H43-E99 IonicContact CG-OE2 3.86Å; L45-E99 HydrophobicContact CD2-CB 4.22Å
100V95.3Very high93.9Very high3 Ų359.3 Ų59.32%0.01829%0.294CS..  trans-129.3172.5178.2-63.80000110.2T44 A46 L65 T98 D102 L104 V111T44-V100 HydrophobicContact CG2-CG2 3.74Å; T44-V100 PolarHBondContact O-N 2.63Å; A46-V100 HydrophobicContact CB-CG1 3.61Å; A46-V100 HydrophobicContact CB-CG2 4.29Å; L65-V100 HydrophobicContact CD2-CG2 4.19Å; T98-V100 HydrophobicContact CG2-CG1 4.16Å; V100-D102 PolarHBondContact O-N 2.74Å; V100-L104 HydrophobicContact CB-CD2 4.15Å; V100-L104 HydrophobicContact CG1-CD2 4.42Å; V100-L104 HydrophobicContact CG2-CD2 4.04Å; V100-V111 HydrophobicContact CG1-CB 3.87Å; V100-V111 HydrophobicContact CG1-CG1 4.09Å; V100-V111 HydrophobicContact CG1-CG2 3.8Å
101D93Very high94.7Very high85 Ų8550.6 Ų50.646%0.45526%0.263SS..  trans-62.7133.5175.1-165.5-62.8000110.6S103 L104D101-S103 PolarHBondContact O-N 2.87Å; D101-S103 VanDerWaalsContact O-N 3.12Å; D101-S103 VanDerWaalsContact OD1-CB 3.24Å; D101-S103 WeakPolarHBondContact OD1-CB 3.41Å; D101-S103 PolarHBondContact OD1-N 2.81Å; D101-S103 PolarHBondContact OD1-OG 2.87Å; D101-L104 VanDerWaalsContact O-CB 3.31Å; D101-L104 WeakPolarHBondContact O-CB 3.4Å; D101-L104 PolarHBondContact O-N 3.47Å
102D94.5Very high95.2Very high72 Ų7251.5 Ų51.539%0.38527%0.267SS..THydrogen-bonded Turntrans-63.8-16.3179.7-71.5-40.9000112.9H43 T44 R67 V100H43-D102 IonicContact CE1-OD2 3.9Å; H43-D102 IonicContact CG-OD2 3.95Å; H43-D102 IonicContact ND1-OD2 2.97Å; H43-D102 PolarHBondContact ND1-OD2 3.24Å; T44-D102 VanDerWaalsContact CB-OD1 3.28Å; T44-D102 WeakPolarHBondContact CB-OD1 3.31Å; T44-D102 PolarHBondContact N-OD1 2.9Å; T44-D102 PolarHBondContact OG1-OD1 2.67Å; R67-D102 PolarHBondContact NH1-O 3.29Å; V100-D102 PolarHBondContact O-N 2.74Å
103S94.6Very high95.3Very high88 Ų8854 Ų5462%0.61528%0.282SS*.THydrogen-bonded Turntrans-81.6-13.317368.10000114.6D101 T105D101-S103 PolarHBondContact O-N 2.87Å; D101-S103 VanDerWaalsContact O-N 3.12Å; D101-S103 VanDerWaalsContact OD1-CB 3.24Å; D101-S103 WeakPolarHBondContact OD1-CB 3.41Å; D101-S103 PolarHBondContact OD1-N 2.81Å; D101-S103 PolarHBondContact OD1-OG 2.87Å; S103-T105 PolarHBondContact O-N 2.97Å
104L94.7Very high95.1Very high50 Ų5057.7 Ų57.726%0.26232%0.319SS..  trans-65.3120.9-179.9-175.168.6000110.1L65 R67 V100 D101 E106 V111L65-L104 HydrophobicContact CD1-CD2 4.34Å; L65-L104 HydrophobicContact CD1-CG 4.18Å; L65-L104 WeakPolarHBondContact CD1-O 3.34Å; L65-L104 HydrophobicContact CD2-CD2 4.03Å; R67-L104 PolarHBondContact NH1-O 3.2Å; R67-L104 PolarHBondContact NH2-O 3.1Å; V100-L104 HydrophobicContact CB-CD2 4.15Å; V100-L104 HydrophobicContact CG1-CD2 4.42Å; V100-L104 HydrophobicContact CG2-CD2 4.04Å; D101-L104 VanDerWaalsContact O-CB 3.31Å; D101-L104 WeakPolarHBondContact O-CB 3.4Å; D101-L104 PolarHBondContact O-N 3.47Å; L104-E106 VanDerWaalsContact CG-O 3.29Å; L104-E106 WeakPolarHBondContact CG-O 3.04Å; L104-V111 HydrophobicContact CD2-CG1 4.21Å
105T95.3Very high94.8Very high116 Ų11663.1 Ų63.171%0.71235%0.348SS*.  trans-97.5-21.7-175.252.70000114.4S103S103-T105 PolarHBondContact O-N 2.97Å
106E96.4Very high94.5Very high149 Ų14964.6 Ų64.670%0.69636%0.357SS*.SBendtrans-128.4144.4-176.8-66.1-179.8-17700109.6L104 D108L104-E106 VanDerWaalsContact CG-O 3.29Å; L104-E106 WeakPolarHBondContact CG-O 3.04Å; E106-D108 PolarHBondContact O-N 2.84Å
107F97.6Very high94.4Very high56 Ų5665.3 Ų65.325%0.24636%0.362CS..  trans-66.1126.1174.5175.6-88.4000109.8A46 W47 L48 C63 G64 L65 R109 F112A46-F107 HydrophobicContact CB-CD2 4.18Å; A46-F107 HydrophobicContact CB-CE2 4.17Å; W47-F107 VanDerWaalsContact O-CE2 3.22Å; W47-F107 WeakPolarHBondContact O-CE2 3.48Å; L48-F107 HydrophobicContact CB-CE2 4.49Å; L48-F107 HydrophobicContact CB-CZ 4.16Å; L48-F107 HydrophobicContact CD2-CZ 4.14Å; C63-F107 HydrophobicContact CB-CD1 4.14Å; C63-F107 HydrophobicContact CB-CD2 4.16Å; C63-F107 HydrophobicContact CB-CE1 3.81Å; C63-F107 HydrophobicContact CB-CE2 3.79Å; C63-F107 HydrophobicContact CB-CG 4.31Å; C63-F107 HydrophobicContact CB-CZ 3.62Å; C63-F107 VanDerWaalsContact SG-CE1 3.6Å; G64-F107 WeakPolarHBondContact O-CD2 3.31Å; L65-F107 HydrophobicContact CD2-CD2 4.48Å; L65-F107 HydrophobicContact CG-CB 4.39Å; F107-R109 HydrophobicContact CE1-CB 4.02Å; F107-R109 HydrophobicContact CZ-CB 4.47Å; F107-F112 AromaticContact CE2-CE2 3.71Å; F107-F112 HydrophobicContact CE2-CE2 3.71Å; F107-F112 HydrophobicContact CE2-CZ 4.5Å; F107-F112 HydrophobicContact CZ-CD2 4.43Å; F107-F112 AromaticContact CZ-CE2 3.94Å; F107-F112 HydrophobicContact CZ-CE2 3.94Å
108D95.4Very high94.3Very high79 Ų7968 Ų6842%0.42238%0.376SS..  trans-118.7125.1167.8-176.4-5.7000108.6E106 S110 V111E106-D108 PolarHBondContact O-N 2.84Å; D108-S110 PolarHBondContact O-N 3.22Å; D108-S110 WeakPolarHBondContact OD1-CB 3.32Å; D108-S110 PolarHBondContact OD1-N 3.26Å; D108-S110 PolarHBondContact OD1-OG 2.76Å; D108-S110 PolarHBondContact OD2-OG 3.06Å; D108-V111 HydrophobicContact CB-CG1 4.41Å; D108-V111 WeakPolarHBondContact O-CG1 3.33Å; D108-V111 WeakPolarHBondContact O-CG2 3.37Å; D108-V111 PolarHBondContact O-N 3.4Å
109R95.8Very high94.3Very high162 Ų16271.9 Ų71.961%0.61139%0.391SS*.G310 helixtrans-60.9-26.7177.5-172.9177.9-179.81022.6111.9F107 V111 F112F107-R109 HydrophobicContact CE1-CB 4.02Å; F107-R109 HydrophobicContact CZ-CB 4.47Å; R109-V111 PolarHBondContact O-N 3.3Å; R109-V111 VanDerWaalsContact O-N 3.1Å; R109-F112 PolarHBondContact O-N 2.88Å
110S94.9Very high94.3Very high56 Ų5678.8 Ų78.839%0.39242%0.416SS..G310 helixtrans-61.3-18.8-178.679.10000113.7D108 F112 D113D108-S110 PolarHBondContact O-N 3.22Å; D108-S110 WeakPolarHBondContact OD1-CB 3.32Å; D108-S110 PolarHBondContact OD1-N 3.26Å; D108-S110 PolarHBondContact OD1-OG 2.76Å; D108-S110 PolarHBondContact OD2-OG 3.06Å; S110-F112 PolarHBondContact O-N 2.94Å; S110-F112 VanDerWaalsContact O-N 3.14Å; S110-D113 WeakPolarHBondContact O-CB 3.37Å; S110-D113 PolarHBondContact O-N 3.05Å
111V93.7Very high94.3Very high14 Ų1481.8 Ų81.89%0.08543%0.43CS..G310 helixtrans-67-11.1174.8-50.90000113.4A46 T98 V100 L104 D108 R109A46-V111 HydrophobicContact CB-CG2 3.66Å; T98-V111 HydrophobicContact CG2-CG2 4.1Å; V100-V111 HydrophobicContact CG1-CB 3.87Å; V100-V111 HydrophobicContact CG1-CG1 4.09Å; V100-V111 HydrophobicContact CG1-CG2 3.8Å; L104-V111 HydrophobicContact CD2-CG1 4.21Å; D108-V111 HydrophobicContact CB-CG1 4.41Å; D108-V111 WeakPolarHBondContact O-CG1 3.33Å; D108-V111 WeakPolarHBondContact O-CG2 3.37Å; D108-V111 PolarHBondContact O-N 3.4Å; R109-V111 PolarHBondContact O-N 3.3Å; R109-V111 VanDerWaalsContact O-N 3.1Å
112F95.5Very high94.2Very high21 Ų2180.4 Ų80.49%0.09243%0.427CS..G310 helixtrans-95.1-3.9172.9-68.8-98000112.9A46 L48 Q96 T98 F107 R109 S110 I118A46-F112 HydrophobicContact CB-CE2 3.97Å; A46-F112 HydrophobicContact CB-CZ 4.29Å; A46-F112 WeakPolarHBondContact O-CZ 3.4Å; L48-F112 HydrophobicContact CD2-CD1 3.97Å; L48-F112 HydrophobicContact CD2-CD2 3.61Å; L48-F112 HydrophobicContact CD2-CE1 3.96Å; L48-F112 HydrophobicContact CD2-CE2 3.62Å; L48-F112 HydrophobicContact CD2-CG 3.8Å; L48-F112 HydrophobicContact CD2-CZ 3.79Å; L48-F112 HydrophobicContact CG-CD1 4.42Å; L48-F112 HydrophobicContact CG-CE1 3.98Å; L48-F112 HydrophobicContact CG-CE2 4.14Å; L48-F112 HydrophobicContact CG-CZ 3.83Å; Q96-F112 HydrophobicContact CB-CE1 4.32Å; T98-F112 HydrophobicContact CG2-CD1 4.4Å; T98-F112 HydrophobicContact CG2-CE1 4.16Å; T98-F112 HydrophobicContact CG2-CE2 4.34Å; T98-F112 HydrophobicContact CG2-CZ 4.13Å; F107-F112 AromaticContact CE2-CE2 3.71Å; F107-F112 HydrophobicContact CE2-CE2 3.71Å; F107-F112 HydrophobicContact CE2-CZ 4.5Å; F107-F112 HydrophobicContact CZ-CD2 4.43Å; F107-F112 AromaticContact CZ-CE2 3.94Å; F107-F112 HydrophobicContact CZ-CE2 3.94Å; R109-F112 PolarHBondContact O-N 2.88Å; S110-F112 PolarHBondContact O-N 2.94Å; S110-F112 VanDerWaalsContact O-N 3.14Å; F112-I118 HydrophobicContact CB-CD1 4.29Å; F112-I118 HydrophobicContact CD1-CD1 3.9Å; F112-I118 HydrophobicContact CD1-CG1 4Å; F112-I118 HydrophobicContact CD1-CG2 4.38Å; F112-I118 HydrophobicContact CE1-CG2 4.44Å
113D92.1Very high93.9Very high111 Ų11177.5 Ų77.559%0.59441%0.412SS*.SBendtrans-89.9149.2-179.3-62.9-31.5000111.4S110 V116S110-D113 WeakPolarHBondContact O-CB 3.37Å; S110-D113 PolarHBondContact O-N 3.05Å; D113-V116 WeakPolarHBondContact O-CG2 3.46Å
114G86.6Confident93.6Very high76 Ų7677.5 Ų77.578%0.78440%0.404SS*.SBendtrans86.1-151175.600000114.4V116G114-V116 VanDerWaalsContact C-N 3.35Å; G114-V116 PolarHBondContact O-N 3.04Å; G114-V116 VanDerWaalsContact O-N 3.14Å
115D87.9Confident93Very high117 Ų11775.2 Ų75.263%0.62639%0.392SS*.SBendtrans-87.371.6-177.5-172.420.8000111.5K7K7-D115 IonicContact NZ-OD1 3.4Å; K7-D115 PolarHBondContact NZ-OD1 2.74Å; K7-D115 IonicContact NZ-OD2 2.67Å
116V90.5Very high92.1Very high32 Ų3273.4 Ų73.419%0.19437%0.374CS..  trans-114.3144.8-179.2-178.90000110T98 D113 G114 I118T98-V116 HydrophobicContact CG2-CG1 4.12Å; T98-V116 WeakPolarHBondContact OG1-CG1 3.35Å; D113-V116 WeakPolarHBondContact O-CG2 3.46Å; G114-V116 VanDerWaalsContact C-N 3.35Å; G114-V116 PolarHBondContact O-N 3.04Å; G114-V116 VanDerWaalsContact O-N 3.14Å; V116-I118 HydrophobicContact CG1-CG1 4.43Å; V116-I118 PolarHBondContact O-N 3Å
117I96.1Very high91Very high49 Ų4967.5 Ų67.525%0.25135%0.345SS..  trans-84.4112.4170.4-62.1176.1000108.2K7 I9 P10 T98K7-I117 HydrophobicContact CD-CD1 4.25Å; K7-I117 HydrophobicContact CD-CG1 4.07Å; K7-I117 HydrophobicContact CG-CD1 3.69Å; K7-I117 HydrophobicContact CG-CG1 3.59Å; I9-I117 HydrophobicContact CG1-CD1 4.01Å; P10-I117 VanDerWaalsContact CD-CG2 3.45Å; P10-I117 HydrophobicContact CG-CB 4.42Å; P10-I117 HydrophobicContact CG-CG2 4.2Å; P10-I117 WeakPolarHBondContact CG-O 3.3Å; T98-I117 PolarHBondContact OG1-O 2.93Å
118I96.4Very high89.5Confident68 Ų6867.7 Ų67.735%0.34935%0.349SS..  trans-101.9125.6174.5-61166.3000108.5Q96 F112 V116Q96-I118 HydrophobicContact CB-CG2 3.97Å; Q96-I118 HydrophobicContact CG-CG2 4.46Å; F112-I118 HydrophobicContact CB-CD1 4.29Å; F112-I118 HydrophobicContact CD1-CD1 3.9Å; F112-I118 HydrophobicContact CD1-CG1 4Å; F112-I118 HydrophobicContact CD1-CG2 4.38Å; F112-I118 HydrophobicContact CE1-CG2 4.44Å; V116-I118 HydrophobicContact CG1-CG1 4.43Å; V116-I118 PolarHBondContact O-N 3Å
119R97.9Very high87.9Confident86 Ų8671 Ų7133%0.32536%0.36SS..EExtended strand (participates in β ladder)trans-90.2150.9164.3-72.1-169.3178-149.511.3109.7P10 N12 Q96 W97P10-R119 HydrophobicContact CB-CG 4.2Å; P10-R119 HydrophobicContact CG-CG 4.19Å; P10-R119 VanDerWaalsContact O-CZ 3.23Å; P10-R119 PolarHBondContact O-NE 2.76Å; P10-R119 PolarHBondContact O-NH2 3.39Å; N12-R119 PolarHBondContact OD1-NH1 3.37Å; Q96-R119 CarbonylContact C-O 3.52Å; Q96-R119 VanDerWaalsContact CA-O 3.27Å; Q96-R119 WeakPolarHBondContact CA-O 3.34Å; W97-R119 HydrophobicContact CD2-CB 3.8Å; W97-R119 HydrophobicContact CE3-CB 4.29Å; W97-R119 HydrophobicContact CG-CB 4.34Å; W97-R119 HydrophobicContact CH2-CB 4.03Å; W97-R119 HydrophobicContact CZ2-CB 3.49Å; W97-R119 VanDerWaalsContact CZ2-CB 3.49Å; W97-R119 HydrophobicContact CZ2-CG 4.29Å; W97-R119 HydrophobicContact CZ3-CB 4.4Å; W97-R119 PolarHBondContact N-O 3.08Å; W97-R119 PolarHBondContact O-N 2.68Å
120R96.3Very high87.5Confident165 Ų16566.4 Ų66.462%0.62335%0.347SS*.EExtended strand (participates in β ladder)trans-144.5138.2-179179.5177.365.6-172.8-0.7110.2F95 Q96F95-R120 WeakPolarHBondContact O-CA 3.47Å; Q96-R120 HydrophobicContact CG-CB 4.08Å; Q96-R120 HydrophobicContact CG-CG 3.85Å
121Q94.6Very high87.1Confident65 Ų6566.9 Ų66.930%0.30435%0.345SS..EExtended strand (participates in β ladder)trans-126.6125.8164.2-179.4171.9-1.200108.4I15 S94 F95 W97I15-Q121 HydrophobicContact CD1-CB 3.83Å; I15-Q121 HydrophobicContact CD1-CG 4.18Å; S94-Q121 WeakPolarHBondContact CA-O 3.39Å; F95-Q121 PolarHBondContact N-O 2.86Å; F95-Q121 PolarHBondContact O-N 3.49Å; W97-Q121 HydrophobicContact CH2-CB 4.18Å; W97-Q121 HydrophobicContact CZ3-CB 4Å
122S92.1Very high86.8Confident57 Ų5769.9 Ų69.940%0.39936%0.359SS..EExtended strand (participates in β ladder)trans-105.2143.2179.9-580000110I93 S94I93-S122 CarbonylContact O-C 3.51Å; I93-S122 WeakPolarHBondContact O-CA 3.48Å; S94-S122 PolarHBondContact OG-OG 3.28Å
123V88.4Confident86.2Confident11 Ų1172.8 Ų72.87%0.06738%0.375CS..EExtended strand (participates in β ladder)trans-121120.6-179.7161.70000107.2F21 F35 H92 I93 I125F21-V123 HydrophobicContact CD2-CB 4.4Å; F21-V123 HydrophobicContact CD2-CG1 3.04Å; F21-V123 HydrophobicContact CE2-CB 4.04Å; F21-V123 HydrophobicContact CE2-CG1 2.97Å; F21-V123 HydrophobicContact CE2-CG2 3.98Å; F21-V123 HydrophobicContact CG-CG1 3.92Å; F21-V123 HydrophobicContact CZ-CG1 3.82Å; F21-V123 HydrophobicContact CZ-CG2 4.47Å; F35-V123 HydrophobicContact CE1-CG1 4.27Å; F35-V123 HydrophobicContact CE1-CG2 3.9Å; F35-V123 HydrophobicContact CZ-CB 4.49Å; F35-V123 HydrophobicContact CZ-CG1 3.88Å; F35-V123 HydrophobicContact CZ-CG2 4.29Å; H92-V123 CarbonylContact C-O 3.56Å; H92-V123 WeakPolarHBondContact CA-O 3.01Å; H92-V123 WeakPolarHBondContact CB-O 3.16Å; I93-V123 PolarHBondContact N-O 3.44Å; I93-V123 PolarHBondContact O-N 3.02Å; V123-I125 HydrophobicContact CG1-CD1 4.05Å
124I87Confident85.9Confident88 Ų8870.4 Ų70.445%0.45136%0.361SS..EExtended strand (participates in β ladder)trans-79.3132.6175.1-57-55.3000109.2F21 H92F21-I124 WeakPolarHBondContact CD2-O 3.48Å; H92-I124 HydrophobicContact CB-CD1 3.77Å
125I81.4Confident85.8Confident2 Ų270 Ų701%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-95122.3174.7-52.8-54.1000108.4F21 F23 L57 D91 I93 V123 Y127F21-I125 HydrophobicContact CB-CD1 4.41Å; F23-I125 HydrophobicContact CD2-CG2 3.48Å; F23-I125 VanDerWaalsContact CD2-CG2 3.48Å; F23-I125 HydrophobicContact CE2-CD1 4.36Å; F23-I125 HydrophobicContact CE2-CG2 3.35Å; F23-I125 HydrophobicContact CZ-CG2 4.35Å; L57-I125 HydrophobicContact CD1-CB 4.39Å; L57-I125 HydrophobicContact CD1-CG1 3.86Å; L57-I125 HydrophobicContact CD1-CG2 4.48Å; L57-I125 HydrophobicContact CD2-CG2 4.36Å; D91-I125 HydrophobicContact CB-CB 4.31Å; D91-I125 PolarHBondContact O-N 2.65Å; I93-I125 HydrophobicContact CD1-CD1 4.03Å; I93-I125 HydrophobicContact CD1-CG1 4.43Å; I93-I125 HydrophobicContact CG1-CD1 4.24Å; I93-I125 HydrophobicContact CG1-CG1 4.29Å; V123-I125 HydrophobicContact CG1-CD1 4.05Å; I125-Y127 HydrophobicContact CB-CE2 4.31Å; I125-Y127 HydrophobicContact CG2-CD1 4.32Å; I125-Y127 HydrophobicContact CG2-CD2 4.23Å; I125-Y127 HydrophobicContact CG2-CE1 3.83Å; I125-Y127 HydrophobicContact CG2-CE2 3.81Å
126K76.9Confident85.7Confident77 Ų7766.6 Ų66.634%0.33531%0.312SS..EExtended strand (participates in β ladder)trans-105.9151.1165.7-46.1175.4-177.5171.70108.9E20 F21 E22 F23E20-K126 VanDerWaalsContact OE2-CE 3.31Å; E20-K126 WeakPolarHBondContact OE2-CE 3.3Å; E20-K126 IonicContact OE2-NZ 3.87Å; E20-K126 PolarHBondContact OE2-NZ 2.93Å; F21-K126 WeakPolarHBondContact O-CA 3.24Å; F21-K126 WeakPolarHBondContact O-CB 3.31Å; F21-K126 WeakPolarHBondContact O-CG 3.09Å; F21-K126 PolarHBondContact O-N 2.58Å; E22-K126 CarbonylContact C-O 3.55Å; E22-K126 VanDerWaalsContact CA-O 3.32Å; E22-K126 WeakPolarHBondContact CA-O 3.4Å; E22-K126 HydrophobicContact CG-CB 4Å; E22-K126 HydrophobicContact CG-CD 4.13Å; F23-K126 PolarHBondContact N-O 2.94Å
127Y73.1Confident85.3Confident25 Ų2569.3 Ų69.310%0.09832%0.322CS..EExtended strand (participates in β ladder)trans-125.4122.8180-49.8-102.4000106.4F23 L56 L57 F80 C87 D91 I125 F129F23-Y127 HydrophobicContact CB-CD1 4.01Å; F23-Y127 HydrophobicContact CD2-CD1 4.35Å; F23-Y127 HydrophobicContact CG-CD1 4.08Å; F23-Y127 HydrophobicContact CG-CE1 4.47Å; L56-Y127 HydrophobicContact CD2-CE1 3.6Å; L56-Y127 WeakPolarHBondContact CD2-OH 3.36Å; L56-Y127 HydrophobicContact CG-CE1 4.27Å; L57-Y127 WeakPolarHBondContact CD1-OH 2.98Å; F80-Y127 HydrophobicContact CE1-CD1 4.32Å; F80-Y127 HydrophobicContact CZ-CD1 4.49Å; C87-Y127 HydrophobicContact CB-CD2 4.35Å; C87-Y127 HydrophobicContact CB-CE2 4.41Å; C87-Y127 WeakPolarHBondContact SG-CD2 3.34Å; C87-Y127 WeakPolarHBondContact SG-CE2 3.38Å; D91-Y127 HydrophobicContact CB-CE2 3.89Å; D91-Y127 WeakPolarHBondContact CB-OH 3.37Å; D91-Y127 PolarHBondContact OD2-OH 3.16Å; I125-Y127 HydrophobicContact CB-CE2 4.31Å; I125-Y127 HydrophobicContact CG2-CD1 4.32Å; I125-Y127 HydrophobicContact CG2-CD2 4.23Å; I125-Y127 HydrophobicContact CG2-CE1 3.83Å; I125-Y127 HydrophobicContact CG2-CE2 3.81Å; Y127-F129 HydrophobicContact CD1-CZ 4.3Å; Y127-F129 HydrophobicContact CG-CE2 4.24Å; Y127-F129 HydrophobicContact CG-CZ 4.12Å
128N66Low84.4Confident60 Ų6071 Ų7132%0.32133%0.327SS..EExtended strand (participates in β ladder)trans-95.9111.3169.8-66.4-12.8000106.7E22 F23E22-N128 WeakPolarHBondContact CB-ND2 3.31Å; E22-N128 PolarHBondContact OE2-ND2 3.27Å; F23-N128 CarbonylContact O-C 3.55Å; F23-N128 WeakPolarHBondContact O-CA 3.44Å; F23-N128 WeakPolarHBondContact O-CB 2.89Å; F23-N128 PolarHBondContact O-N 2.72Å
129F62.8Low83.3Confident148 Ų14871.3 Ų71.365%0.64933%0.326SS*.  trans-111.50168.4-50.3-82.1000108.4D25 F80 V84 C87 Y127D25-F129 HydrophobicContact CB-CD1 4.31Å; F80-F129 AromaticContact CD1-CE1 3.82Å; F80-F129 HydrophobicContact CD1-CE1 3.82Å; F80-F129 HydrophobicContact CE1-CD1 4.44Å; F80-F129 AromaticContact CE1-CE1 3.53Å; F80-F129 HydrophobicContact CE1-CE1 3.53Å; F80-F129 HydrophobicContact CE1-CZ 4.12Å; V84-F129 HydrophobicContact CB-CE1 4.37Å; V84-F129 HydrophobicContact CB-CZ 4.32Å; V84-F129 HydrophobicContact CG1-CE1 4.29Å; V84-F129 HydrophobicContact CG1-CZ 3.82Å; C87-F129 HydrophobicContact CB-CE2 3.99Å; C87-F129 HydrophobicContact CB-CZ 3.96Å; Y127-F129 HydrophobicContact CD1-CZ 4.3Å; Y127-F129 HydrophobicContact CG-CE2 4.24Å; Y127-F129 HydrophobicContact CG-CZ 4.12Å

Retrieved 129 of 129 residues in 526.3 ms (Link to these results)

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