A0A5K4FH78_SCHMA Loading...

Cytochrome c oxidase assembly protein COX11, mitochondrial

Assembly factor for cytochrome c oxidase (respiratory chain complex IV, CIV). Probably acts as a metallochaperone that delivers copper to the copper B site of COX1.

AlphaFold DB , UniProt , Accession A0A5K4FH78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 152 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
1M57.8Low78.1Confident139 Ų13983.3 Ų83.369%0.68540%0.401SS*.  0118.60-160.3168.1-154.700106.7F97 P100M1-F97 HydrophobicContact CE-CD2 3.81Å; M1-F97 HydrophobicContact CE-CE2 3.43Å; M1-F97 VanDerWaalsContact CE-CE2 3.43Å; M1-F97 HydrophobicContact CE-CZ 4.44Å; M1-F97 HydrophobicContact SD-CD2 4.15Å; M1-F97 HydrophobicContact SD-CE2 4.06Å; M1-P100 HydrophobicContact CE-CG 3.95Å; M1-P100 HydrophobicContact CG-CG 3.87Å
2Q62.7Low79.6Confident175 Ų17583.8 Ų83.882%0.81840%0.397SS*.  trans-90.1127.9179.2-74.7-179.3-10.100108.6
3P68Low80.9Confident50 Ų5078.3 Ų78.333%0.32537%0.371SS..  trans-69.1132.517927.4-33.1000110.5R5 V35 P36 E38P3-R5 PolarHBondContact O-N 3.09Å; P3-V35 HydrophobicContact CB-CG1 4.29Å; P3-P36 CarbonylContact C-O 3.56Å; P3-P36 VanDerWaalsContact CA-O 3.26Å; P3-P36 WeakPolarHBondContact CA-O 3.24Å; P3-E38 HydrophobicContact CB-CG 3.88Å
4V71Confident81.9Confident47 Ų4775.8 Ų75.829%0.28537%0.366SS..  trans-88.686.9177.1-179.40000108.2D6 R7 V35 P36 P100V4-D6 PolarHBondContact O-N 3.47Å; V4-D6 VanDerWaalsContact O-N 3.11Å; V4-R7 PolarHBondContact O-N 3.04Å; V4-V35 WeakPolarHBondContact O-CG1 3.17Å; V4-P36 PolarHBondContact N-O 3.38Å; V4-P100 HydrophobicContact CG2-CB 3.88Å
5R71.1Confident82.6Confident197 Ų19772.3 Ų72.374%0.74335%0.354SS*.THydrogen-bonded Turntrans-65.4-12.1-174.9-67.4-175.3176.8169.80.2114.9P3 R7 V35P3-R5 PolarHBondContact O-N 3.09Å; R5-R7 PolarHBondContact O-N 3.35Å; R5-V35 HydrophobicContact CG-CG1 4.5Å
6D74.7Confident83.3Confident162 Ų16272.6 Ų72.687%0.86636%0.358SS*.THydrogen-bonded Turntrans-74.2-5.6-177.5-62.9-26.7000113.1V4V4-D6 PolarHBondContact O-N 3.47Å; V4-D6 VanDerWaalsContact O-N 3.11Å
7R82.2Confident83.7Confident40 Ų4071.7 Ų71.715%0.15136%0.358CS..  trans-145.9132.4-179.8-160.6168.3-173.5-167.2-7.6112.2V4 R5 Y9 P36 L108 K109 C111V4-R7 PolarHBondContact O-N 3.04Å; R5-R7 PolarHBondContact O-N 3.35Å; R7-Y9 HydrophobicContact CB-CE2 4.47Å; R7-Y9 HydrophobicContact CG-CD2 4.49Å; R7-Y9 HydrophobicContact CG-CE2 3.84Å; R7-Y9 PolarHBondContact NE-OH 2.88Å; R7-Y9 PolarHBondContact NH1-OH 2.97Å; R7-P36 WeakPolarHBondContact O-CD 3.47Å; R7-L108 PolarHBondContact NH1-O 3.25Å; R7-L108 PolarHBondContact NH2-O 3.25Å; R7-K109 VanDerWaalsContact NH2-C 3.29Å; R7-K109 PolarHBondContact NH2-O 3.14Å; R7-K109 VanDerWaalsContact NH2-O 3.11Å; R7-C111 PolarHBondContact NH2-O 3.44Å
8E89.3Confident84.1Confident74 Ų7471.9 Ų71.935%0.34636%0.357SS..  trans-116.2143.2176.1-167.9-171.8-131.400110R33E8-R33 VanDerWaalsContact CD-NH2 3.28Å; E8-R33 HydrophobicContact CG-CB 4.26Å; E8-R33 WeakPolarHBondContact OE1-CB 3.2Å; E8-R33 IonicContact OE1-CZ 3.75Å; E8-R33 VanDerWaalsContact OE1-CZ 3.24Å; E8-R33 IonicContact OE1-NE 2.89Å; E8-R33 PolarHBondContact OE1-NE 3.25Å; E8-R33 IonicContact OE1-NH2 2.67Å; E8-R33 PolarHBondContact OE1-NH2 2.97Å; E8-R33 IonicContact OE2-CZ 3.65Å; E8-R33 IonicContact OE2-NE 3.63Å; E8-R33 PolarHBondContact OE2-NE 2.7Å; E8-R33 IonicContact OE2-NH2 3.86Å; E8-R33 PolarHBondContact OE2-NH2 2.79Å
9Y92.6Very high83.9Confident0 Ų074.1 Ų74.10%038%0.38CS..EExtended strand (participates in β ladder)trans-116.5142.3175.7-71.9-99.1000110.1R7 R33 I34 P36 L98 I102 C111 S112 I114R7-Y9 HydrophobicContact CB-CE2 4.47Å; R7-Y9 HydrophobicContact CG-CD2 4.49Å; R7-Y9 HydrophobicContact CG-CE2 3.84Å; R7-Y9 PolarHBondContact NE-OH 2.88Å; R7-Y9 PolarHBondContact NH1-OH 2.97Å; Y9-R33 CarbonylContact O-C 3.59Å; Y9-R33 WeakPolarHBondContact O-CA 3.48Å; Y9-I34 PolarHBondContact N-O 3.16Å; Y9-I34 PolarHBondContact O-N 3.25Å; Y9-P36 HydrophobicContact CD2-CG 3.69Å; Y9-P36 HydrophobicContact CE2-CG 3.55Å; Y9-L98 HydrophobicContact CD1-CD1 4.48Å; Y9-L98 HydrophobicContact CD2-CD1 4.06Å; Y9-L98 HydrophobicContact CG-CD1 3.82Å; Y9-I102 HydrophobicContact CD1-CD1 4.29Å; Y9-I102 HydrophobicContact CE1-CD1 3.69Å; Y9-I102 HydrophobicContact CE1-CG1 4.24Å; Y9-I102 HydrophobicContact CE2-CD1 4.41Å; Y9-I102 HydrophobicContact CE2-CG2 3.71Å; Y9-C111 WeakPolarHBondContact CE1-O 3.26Å; Y9-S112 CarbonylContact C-O 3.57Å; Y9-S112 WeakPolarHBondContact CA-O 3.28Å; Y9-I114 HydrophobicContact CD1-CD1 3.84Å; Y9-I114 HydrophobicContact CD1-CG1 4.14Å; Y9-I114 HydrophobicContact CE1-CD1 4.46Å; Y9-I114 HydrophobicContact CG-CD1 4.38Å
10T94.7Very high83.7Confident32 Ų3275.2 Ų75.220%0.19639%0.386CS..EExtended strand (participates in β ladder)trans-99.5115.4168.8-58.30000108.4Y12 A31 S112 E113 I114T10-Y12 HydrophobicContact CG2-CD2 4.14Å; T10-Y12 HydrophobicContact CG2-CE1 4.16Å; T10-Y12 HydrophobicContact CG2-CE2 3.7Å; T10-A31 HydrophobicContact CG2-CB 3.91Å; T10-S112 PolarHBondContact N-O 2.85Å; T10-E113 WeakPolarHBondContact O-CA 3.11Å; T10-I114 PolarHBondContact O-N 2.81Å
11V95.1Very high83.8Confident0 Ų072.1 Ų72.10%037%0.37CS..EExtended strand (participates in β ladder)trans-92.5113172.8-175.60000108.4F13 A31 L32 I34 F71 F96 I114 L116V11-F13 HydrophobicContact CB-CZ 4.22Å; V11-F13 HydrophobicContact CG1-CD1 4.39Å; V11-F13 HydrophobicContact CG1-CE1 3.78Å; V11-F13 HydrophobicContact CG1-CE2 4.48Å; V11-F13 HydrophobicContact CG1-CZ 3.84Å; V11-A31 CarbonylContact O-C 3.47Å; V11-A31 WeakPolarHBondContact O-CA 3.42Å; V11-L32 PolarHBondContact N-O 3.44Å; V11-L32 PolarHBondContact O-N 3.06Å; V11-I34 HydrophobicContact CG2-CG2 3.78Å; V11-F71 HydrophobicContact CG1-CE2 4.16Å; V11-F71 HydrophobicContact CG2-CE2 4.44Å; V11-F96 HydrophobicContact CB-CZ 4.4Å; V11-F96 HydrophobicContact CG1-CE2 4.46Å; V11-F96 HydrophobicContact CG1-CZ 4.25Å; V11-F96 HydrophobicContact CG2-CE2 4.03Å; V11-F96 HydrophobicContact CG2-CZ 4.32Å; V11-I114 CarbonylContact C-O 3.44Å; V11-I114 VanDerWaalsContact CA-O 3.24Å; V11-I114 WeakPolarHBondContact CA-O 3.38Å; V11-I114 HydrophobicContact CG2-CB 4.38Å; V11-L116 HydrophobicContact CG1-CB 4.22Å
12Y96.6Very high85.2Confident90 Ų9072.4 Ų72.435%0.35337%0.367SS..EExtended strand (participates in β ladder)trans-87.3133.4171.4-65-85.8000110.1T10 K30 A31 E113 I114 I115 L116T10-Y12 HydrophobicContact CG2-CD2 4.14Å; T10-Y12 HydrophobicContact CG2-CE1 4.16Å; T10-Y12 HydrophobicContact CG2-CE2 3.7Å; Y12-K30 WeakPolarHBondContact CA-O 3.46Å; Y12-A31 HydrophobicContact CD1-CB 3.77Å; Y12-A31 HydrophobicContact CE1-CB 3.99Å; Y12-A31 HydrophobicContact CG-CB 4.46Å; Y12-E113 HydrophobicContact CD2-CB 4.36Å; Y12-E113 HydrophobicContact CE2-CB 3.96Å; Y12-E113 HydrophobicContact CE2-CG 3.86Å; Y12-E113 WeakPolarHBondContact CE2-OE1 3.24Å; Y12-E113 PolarHBondContact OH-OE1 3.13Å; Y12-I114 PolarHBondContact N-O 2.7Å; Y12-I115 CarbonylContact O-C 3.58Å; Y12-I115 WeakPolarHBondContact O-CA 3.18Å; Y12-L116 PolarHBondContact O-N 2.79Å
13F95.7Very high86.5Confident12 Ų1264.5 Ų64.55%0.05333%0.33CS..EExtended strand (participates in β ladder)trans-102.2121.9178.2-58.6-75.3000109.2V11 P27 Q29 K30 L32 A42 Y44 F96 L116V11-F13 HydrophobicContact CB-CZ 4.22Å; V11-F13 HydrophobicContact CG1-CD1 4.39Å; V11-F13 HydrophobicContact CG1-CE1 3.78Å; V11-F13 HydrophobicContact CG1-CE2 4.48Å; V11-F13 HydrophobicContact CG1-CZ 3.84Å; F13-P27 HydrophobicContact CB-CB 3.69Å; F13-P27 HydrophobicContact CB-CG 4.38Å; F13-Q29 HydrophobicContact CD2-CG 3.99Å; F13-Q29 WeakPolarHBondContact CD2-O 3.36Å; F13-Q29 HydrophobicContact CE2-CG 4.06Å; F13-K30 PolarHBondContact N-O 3.41Å; F13-L32 HydrophobicContact CE2-CB 3.6Å; F13-L32 HydrophobicContact CZ-CB 4.03Å; F13-A42 HydrophobicContact CD1-CB 4.16Å; F13-A42 HydrophobicContact CE1-CB 3.53Å; F13-A42 HydrophobicContact CE2-CB 3.96Å; F13-A42 HydrophobicContact CZ-CB 3.42Å; F13-A42 VanDerWaalsContact CZ-CB 3.42Å; F13-Y44 HydrophobicContact CB-CE1 4.49Å; F13-Y44 WeakPolarHBondContact CB-OH 3.01Å; F13-Y44 HydrophobicContact CD1-CE2 4.15Å; F13-F96 AromaticContact CE1-CE1 3.85Å; F13-F96 HydrophobicContact CE1-CE1 3.85Å; F13-F96 HydrophobicContact CE1-CZ 4.08Å; F13-F96 AromaticContact CZ-CE1 3.82Å; F13-F96 HydrophobicContact CZ-CE1 3.82Å; F13-F96 AromaticContact CZ-CZ 3.79Å; F13-F96 HydrophobicContact CZ-CZ 3.79Å; F13-L116 HydrophobicContact CD1-CB 4.18Å; F13-L116 HydrophobicContact CD1-CD2 3.98Å; F13-L116 HydrophobicContact CE1-CB 4.48Å; F13-L116 HydrophobicContact CE1-CD2 3.93Å
14S94.8Very high87.6Confident43 Ų4365.7 Ų65.730%0.30133%0.334SS..EExtended strand (participates in β ladder)trans-116.3148.4173.7-178.10000109.8Y44 L116 N117 Y118S14-Y44 WeakPolarHBondContact O-CE1 3.46Å; S14-Y44 PolarHBondContact O-OH 2.93Å; S14-L116 PolarHBondContact N-O 3.05Å; S14-N117 WeakPolarHBondContact CB-OD1 3.35Å; S14-N117 PolarHBondContact O-OD1 3.1Å; S14-N117 PolarHBondContact OG-OD1 2.92Å; S14-Y118 PolarHBondContact O-N 2.89Å
15A93.5Very high88.7Confident23 Ų2364.1 Ų64.119%0.1932%0.323CS..EExtended strand (participates in β ladder)trans-135.6122.3-17900000108.7F25 Y44 Y118A15-F25 HydrophobicContact CB-CD1 3.46Å; A15-F25 VanDerWaalsContact CB-CD1 3.46Å; A15-F25 HydrophobicContact CB-CE1 3.45Å; A15-F25 VanDerWaalsContact CB-CE1 3.45Å; A15-F25 HydrophobicContact CB-CG 4.3Å; A15-F25 HydrophobicContact CB-CZ 4.32Å; A15-Y44 HydrophobicContact CB-CD1 4.14Å; A15-Y44 HydrophobicContact CB-CE1 3.98Å; A15-Y118 CarbonylContact C-O 3.59Å; A15-Y118 WeakPolarHBondContact CA-O 3.44Å
16D93Very high89.8Confident77 Ų7759.6 Ų59.641%0.41231%0.309SS..EExtended strand (participates in β ladder)trans-119.8154.7173.1-66.1-56.6000109.9N117 Y118 T119 F120D16-N117 PolarHBondContact OD2-ND2 2.91Å; D16-N117 PolarHBondContact OD2-OD1 3.27Å; D16-N117 VanDerWaalsContact OD2-OD1 3.09Å; D16-Y118 PolarHBondContact N-O 3.15Å; D16-T119 HydrophobicContact CB-CG2 4.07Å; D16-T119 VanDerWaalsContact O-CA 3.28Å; D16-T119 WeakPolarHBondContact O-CA 3.44Å; D16-F120 PolarHBondContact O-N 2.62Å
17T91Very high90.7Very high58 Ų5853.3 Ų53.336%0.35628%0.277SS..EExtended strand (participates in β ladder)trans-127.5137.2171.753.60000108.6F25 F120T17-F25 HydrophobicContact CG2-CB 3.67Å; T17-F120 HydrophobicContact CG2-CB 4.4Å
18H89.2Confident91.3Very high76 Ų7654.7 Ų54.735%0.35229%0.293SS..  trans-59.3148.3171.3-172.7-98.1000110.1L20 M21 F120 F121H18-L20 PolarHBondContact ND1-N 2.8Å; H18-L20 PolarHBondContact O-N 3.3Å; H18-M21 WeakPolarHBondContact O-CA 3.32Å; H18-M21 VanDerWaalsContact O-CB 3.23Å; H18-M21 WeakPolarHBondContact O-CB 3.21Å; H18-M21 PolarHBondContact O-N 2.75Å; H18-F120 PolarHBondContact N-O 3.18Å; H18-F121 HydrophobicContact CB-CD1 3.72Å; H18-F121 HydrophobicContact CB-CE1 4.11Å; H18-F121 HydrophobicContact CB-CG 4.41Å; H18-F121 AromaticContact CD2-CD1 4Å; H18-F121 AromaticContact CD2-CE1 3.91Å; H18-F121 AromaticContact CG-CD1 3.92Å
19S81Confident91.5Very high112 Ų11254 Ų5478%0.78329%0.29SS*.THydrogen-bonded Turntrans-56.9-24.4-173560000115.3
20L80.7Confident91.6Very high97 Ų9762.4 Ų62.451%0.50833%0.326SS..THydrogen-bonded Turntrans-83.5-19.2176.5-63.8174.5000113.3H18 K22H18-L20 PolarHBondContact ND1-N 2.8Å; H18-L20 PolarHBondContact O-N 3.3Å; L20-K22 PolarHBondContact O-N 3.14Å
21M84.6Confident91.6Very high11 Ų1163 Ų635%0.05433%0.334CS..  trans-79.7121-177.1-165.170.1-178.400109.7H18 W23 I54 F120 E122H18-M21 WeakPolarHBondContact O-CA 3.32Å; H18-M21 VanDerWaalsContact O-CB 3.23Å; H18-M21 WeakPolarHBondContact O-CB 3.21Å; H18-M21 PolarHBondContact O-N 2.75Å; M21-W23 HydrophobicContact CE-CB 4.11Å; M21-W23 HydrophobicContact CE-CD2 3.07Å; M21-W23 HydrophobicContact CE-CE3 3.47Å; M21-W23 VanDerWaalsContact CE-CE3 3.47Å; M21-W23 HydrophobicContact CE-CG 3.38Å; M21-W23 HydrophobicContact CE-CH2 4.06Å; M21-W23 HydrophobicContact CE-CZ2 3.7Å; M21-W23 HydrophobicContact CE-CZ3 3.97Å; M21-W23 HydrophobicContact CG-CB 4.17Å; M21-W23 HydrophobicContact CG-CG 4.38Å; M21-I54 HydrophobicContact CE-CG2 3.66Å; M21-I54 HydrophobicContact SD-CG2 4.05Å; M21-F120 HydrophobicContact CG-CB 4.5Å; M21-E122 WeakPolarHBondContact SD-CA 3.44Å; M21-E122 HydrophobicContact SD-CB 3.63Å; M21-E122 HydrophobicContact SD-CG 4.25Å; M21-E122 PolarHBondContact SD-N 2.93Å; M21-E122 VanDerWaalsContact SD-N 3.4Å
22K87Confident91.6Very high144 Ų14465 Ų6563%0.62634%0.344SS*.  trans-89.6-0.4-179.6-68.1-174.6174-173.40114.1L20 P49 T50 I54L20-K22 PolarHBondContact O-N 3.14Å; K22-P49 WeakPolarHBondContact O-CD 3.24Å; K22-P49 WeakPolarHBondContact O-CG 3.18Å; K22-T50 HydrophobicContact CB-CG2 3.69Å; K22-T50 HydrophobicContact CD-CG2 3.56Å; K22-T50 HydrophobicContact CG-CG2 4.29Å; K22-I54 HydrophobicContact CB-CD1 4.16Å
23W90.5Very high91.5Very high10 Ų1068.8 Ų68.84%0.03836%0.358CS..  trans-65.8143-179.9-74.35.5000111.7M21 F25 A46 E47 I54 Q82 L84 F120M21-W23 HydrophobicContact CE-CB 4.11Å; M21-W23 HydrophobicContact CE-CD2 3.07Å; M21-W23 HydrophobicContact CE-CE3 3.47Å; M21-W23 VanDerWaalsContact CE-CE3 3.47Å; M21-W23 HydrophobicContact CE-CG 3.38Å; M21-W23 HydrophobicContact CE-CH2 4.06Å; M21-W23 HydrophobicContact CE-CZ2 3.7Å; M21-W23 HydrophobicContact CE-CZ3 3.97Å; M21-W23 HydrophobicContact CG-CB 4.17Å; M21-W23 HydrophobicContact CG-CG 4.38Å; W23-F25 PolarHBondContact O-N 2.95Å; W23-A46 HydrophobicContact CE3-CB 3.98Å; W23-A46 HydrophobicContact CZ3-CB 4.22Å; W23-E47 CarbonylContact C-O 3.6Å; W23-E47 WeakPolarHBondContact CA-O 3.44Å; W23-E47 WeakPolarHBondContact CB-O 3.4Å; W23-I54 HydrophobicContact CZ2-CG2 4.38Å; W23-I54 WeakPolarHBondContact CZ2-O 3.21Å; W23-Q82 HydrophobicContact CH2-CB 3.73Å; W23-Q82 WeakPolarHBondContact CH2-O 3.35Å; W23-Q82 HydrophobicContact CZ3-CB 4.23Å; W23-L84 HydrophobicContact CD2-CD1 3.81Å; W23-L84 HydrophobicContact CE3-CD1 3.98Å; W23-L84 HydrophobicContact CH2-CB 4.39Å; W23-L84 HydrophobicContact CH2-CD1 3.79Å; W23-L84 HydrophobicContact CH2-CG 3.64Å; W23-L84 HydrophobicContact CZ2-CB 3.67Å; W23-L84 HydrophobicContact CZ2-CD1 3.65Å; W23-L84 HydrophobicContact CZ2-CG 3.41Å; W23-L84 VanDerWaalsContact CZ2-CG 3.41Å; W23-L84 HydrophobicContact CZ3-CD1 3.95Å; W23-L84 HydrophobicContact CZ3-CG 4.29Å; W23-F120 HydrophobicContact CE3-CD1 4.01Å; W23-F120 HydrophobicContact CE3-CE1 4.13Å; W23-F120 HydrophobicContact CE3-CG 4.34Å; W23-F120 HydrophobicContact CH2-CE1 4.26Å; W23-F120 AromaticContact CZ3-CD1 3.69Å; W23-F120 HydrophobicContact CZ3-CD1 3.69Å; W23-F120 AromaticContact CZ3-CE1 3.41Å; W23-F120 HydrophobicContact CZ3-CE1 3.41Å; W23-F120 VanDerWaalsContact CZ3-CE1 3.41Å; W23-F120 HydrophobicContact CZ3-CG 4.41Å; W23-F120 AromaticContact CZ3-CZ 3.92Å; W23-F120 HydrophobicContact CZ3-CZ 3.92Å
24N91.6Very high91.3Very high75 Ų7568.5 Ų68.540%0.40136%0.357SS..EExtended strand (participates in β ladder)trans-8798163.7-175.59.8000107.7E47N24-E47 HydrophobicContact CB-CB 4.26Å; N24-E47 PolarHBondContact N-O 2.81Å; N24-E47 PolarHBondContact O-N 3.26Å
25F93.2Very high91.2Very high14 Ų1467.4 Ų67.46%0.06135%0.348CS..EExtended strand (participates in β ladder)trans-112.1124.3-179179.3-118.4000110.5A15 T17 W23 Y44 T45 A46 F77 L92 F120A15-F25 HydrophobicContact CB-CD1 3.46Å; A15-F25 VanDerWaalsContact CB-CD1 3.46Å; A15-F25 HydrophobicContact CB-CE1 3.45Å; A15-F25 VanDerWaalsContact CB-CE1 3.45Å; A15-F25 HydrophobicContact CB-CG 4.3Å; A15-F25 HydrophobicContact CB-CZ 4.32Å; T17-F25 HydrophobicContact CG2-CB 3.67Å; W23-F25 PolarHBondContact O-N 2.95Å; F25-Y44 AromaticContact CE1-CD1 3.83Å; F25-Y44 HydrophobicContact CE1-CD1 3.83Å; F25-Y44 HydrophobicContact CE1-CE1 4.2Å; F25-Y44 AromaticContact CE2-CD1 3.69Å; F25-Y44 HydrophobicContact CE2-CD1 3.69Å; F25-Y44 AromaticContact CE2-CG 3.84Å; F25-Y44 HydrophobicContact CE2-CG 3.84Å; F25-Y44 AromaticContact CZ-CD1 3.19Å; F25-Y44 HydrophobicContact CZ-CD1 3.19Å; F25-Y44 AromaticContact CZ-CE1 3.88Å; F25-Y44 HydrophobicContact CZ-CE1 3.88Å; F25-Y44 AromaticContact CZ-CG 3.64Å; F25-Y44 HydrophobicContact CZ-CG 3.64Å; F25-T45 WeakPolarHBondContact CA-O 3.49Å; F25-A46 HydrophobicContact CD2-CB 4.02Å; F25-F77 HydrophobicContact CE2-CZ 4.4Å; F25-F77 HydrophobicContact CZ-CE2 4.48Å; F25-F77 HydrophobicContact CZ-CZ 4.03Å; F25-L92 HydrophobicContact CE2-CD1 4.33Å; F25-F120 HydrophobicContact CB-CD2 4.45Å; F25-F120 AromaticContact CD1-CD2 3.6Å; F25-F120 HydrophobicContact CD1-CD2 3.6Å; F25-F120 HydrophobicContact CD1-CE2 4.26Å; F25-F120 AromaticContact CD2-CD2 3.73Å; F25-F120 HydrophobicContact CD2-CD2 3.73Å; F25-F120 AromaticContact CD2-CE2 3.68Å; F25-F120 HydrophobicContact CD2-CE2 3.68Å; F25-F120 AromaticContact CE1-CD2 3.64Å; F25-F120 HydrophobicContact CE1-CD2 3.64Å; F25-F120 HydrophobicContact CE1-CE2 4.03Å; F25-F120 AromaticContact CE2-CD2 3.73Å; F25-F120 HydrophobicContact CE2-CD2 3.73Å; F25-F120 AromaticContact CE2-CE2 3.36Å; F25-F120 HydrophobicContact CE2-CE2 3.36Å; F25-F120 AromaticContact CG-CD2 3.66Å; F25-F120 HydrophobicContact CG-CD2 3.66Å; F25-F120 HydrophobicContact CG-CE2 4.11Å; F25-F120 AromaticContact CZ-CD2 3.7Å; F25-F120 HydrophobicContact CZ-CD2 3.7Å; F25-F120 AromaticContact CZ-CE2 3.57Å; F25-F120 HydrophobicContact CZ-CE2 3.57Å
26K94.2Very high91.1Very high101 Ų10166.3 Ų66.344%0.43934%0.339SS..EExtended strand (participates in β ladder)trans-149.7150-177.862.4-175.6177.4-1760111.7Y44 T45K26-Y44 CarbonylContact O-C 3.51Å; K26-Y44 WeakPolarHBondContact O-CA 3.21Å; K26-T45 PolarHBondContact N-O 3.11Å; K26-T45 PolarHBondContact O-N 3.09Å
27P94.9Very high90.9Very high31 Ų3163.3 Ų63.320%0.20133%0.327CS..EExtended strand (participates in β ladder)trans-70.6140170.133.5-36.4000109.6F13 Q29 Y44F13-P27 HydrophobicContact CB-CB 3.69Å; F13-P27 HydrophobicContact CB-CG 4.38Å; P27-Q29 WeakPolarHBondContact CB-O 3.34Å; P27-Q29 PolarHBondContact O-N 3.05Å; P27-Y44 HydrophobicContact CB-CD1 3.91Å; P27-Y44 HydrophobicContact CB-CE1 3.76Å
28S93.5Very high90.8Very high68 Ų6864.4 Ų64.448%0.47633%0.328SS..SBendtrans-70.7-26.2174.7-47.50000111.3F43 T45S28-F43 WeakPolarHBondContact CB-O 3.45Å; S28-F43 PolarHBondContact N-O 2.85Å; S28-F43 WeakPolarHBondContact OG-CB 3.39Å; S28-F43 PolarHBondContact OG-O 2.79Å; S28-T45 PolarHBondContact OG-OG1 2.86Å
29Q93.4Very high91Very high60 Ų6064.9 Ų64.928%0.2834%0.336SS..SBendtrans-132.8136.117663.2-167.2-1.800110.5F13 P27 L41 A42F13-Q29 HydrophobicContact CD2-CG 3.99Å; F13-Q29 WeakPolarHBondContact CD2-O 3.36Å; F13-Q29 HydrophobicContact CE2-CG 4.06Å; P27-Q29 WeakPolarHBondContact CB-O 3.34Å; P27-Q29 PolarHBondContact O-N 3.05Å; Q29-L41 PolarHBondContact NE2-O 3.29Å; Q29-A42 VanDerWaalsContact NE2-CA 3.32Å; Q29-A42 VanDerWaalsContact NE2-CB 3.32Å
30K94.5Very high91.5Very high177 Ų17760 Ų6077%0.7730%0.302SS*.SBendtrans-74.5-32-177.5-69.5-174.7177.3-1780113.4Y12 F13Y12-K30 WeakPolarHBondContact CA-O 3.46Å; F13-K30 PolarHBondContact N-O 3.41Å
31A95.4Very high92.1Very high43 Ų4359.1 Ų59.136%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-150.4153.6-177.800000111.2T10 V11 Y12T10-A31 HydrophobicContact CG2-CB 3.91Å; V11-A31 CarbonylContact O-C 3.47Å; V11-A31 WeakPolarHBondContact O-CA 3.42Å; Y12-A31 HydrophobicContact CD1-CB 3.77Å; Y12-A31 HydrophobicContact CE1-CB 3.99Å; Y12-A31 HydrophobicContact CG-CB 4.46Å
32L94.7Very high92.5Very high43 Ų4358.6 Ų58.623%0.22530%0.295CS..EExtended strand (participates in β ladder)trans-137.8135.3173.1-177.481.4000109.2V11 F13 A40 F96V11-L32 PolarHBondContact N-O 3.44Å; V11-L32 PolarHBondContact O-N 3.06Å; F13-L32 HydrophobicContact CE2-CB 3.6Å; F13-L32 HydrophobicContact CZ-CB 4.03Å; L32-A40 HydrophobicContact CD2-CB 3.43Å; L32-A40 VanDerWaalsContact CD2-CB 3.43Å; L32-F96 HydrophobicContact CD2-CZ 4.12Å
33R94Very high92.8Very high170 Ų17055.7 Ų55.764%0.64228%0.283SS*.EExtended strand (participates in β ladder)trans-87.6133172.5-67170.675.2-169.3-1.1109.2E8 Y9E8-R33 VanDerWaalsContact CD-NH2 3.28Å; E8-R33 HydrophobicContact CG-CB 4.26Å; E8-R33 WeakPolarHBondContact OE1-CB 3.2Å; E8-R33 IonicContact OE1-CZ 3.75Å; E8-R33 VanDerWaalsContact OE1-CZ 3.24Å; E8-R33 IonicContact OE1-NE 2.89Å; E8-R33 PolarHBondContact OE1-NE 3.25Å; E8-R33 IonicContact OE1-NH2 2.67Å; E8-R33 PolarHBondContact OE1-NH2 2.97Å; E8-R33 IonicContact OE2-CZ 3.65Å; E8-R33 IonicContact OE2-NE 3.63Å; E8-R33 PolarHBondContact OE2-NE 2.7Å; E8-R33 IonicContact OE2-NH2 3.86Å; E8-R33 PolarHBondContact OE2-NH2 2.79Å; Y9-R33 CarbonylContact O-C 3.59Å; Y9-R33 WeakPolarHBondContact O-CA 3.48Å
34I92.8Very high92.9Very high5 Ų555.2 Ų55.23%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-141.9142.6-177.2-167.5180000110.5Y9 V11 E38 A40 F96 L98Y9-I34 PolarHBondContact N-O 3.16Å; Y9-I34 PolarHBondContact O-N 3.25Å; V11-I34 HydrophobicContact CG2-CG2 3.78Å; I34-E38 WeakPolarHBondContact CD1-O 3.49Å; I34-E38 HydrophobicContact CG1-CB 4.34Å; I34-A40 HydrophobicContact CD1-CB 3.43Å; I34-A40 VanDerWaalsContact CD1-CB 3.43Å; I34-A40 HydrophobicContact CG1-CB 4.18Å; I34-F96 HydrophobicContact CD1-CD2 4.35Å; I34-F96 HydrophobicContact CD1-CE2 3.85Å; I34-L98 HydrophobicContact CD1-CG 4.45Å; I34-L98 HydrophobicContact CG2-CD1 3.55Å; I34-L98 HydrophobicContact CG2-CG 4.11Å
35V92.2Very high93Very high20 Ų2052.2 Ų52.212%0.12127%0.266CS..  trans-95.7137.1172179.40000109.2P3 V4 R5 G37 E38P3-V35 HydrophobicContact CB-CG1 4.29Å; V4-V35 WeakPolarHBondContact O-CG1 3.17Å; R5-V35 HydrophobicContact CG-CG1 4.5Å; V35-G37 PolarHBondContact O-N 2.81Å; V35-E38 HydrophobicContact CB-CG 3.99Å; V35-E38 WeakPolarHBondContact O-CB 3.4Å; V35-E38 PolarHBondContact O-N 2.8Å
36P91.1Very high93Very high0 Ų051.6 Ų51.60%026%0.263CS..THydrogen-bonded Turntrans-53.9129.6174.6-25.935.7000112P3 V4 R7 Y9 I102P3-P36 CarbonylContact C-O 3.56Å; P3-P36 VanDerWaalsContact CA-O 3.26Å; P3-P36 WeakPolarHBondContact CA-O 3.24Å; V4-P36 PolarHBondContact N-O 3.38Å; R7-P36 WeakPolarHBondContact O-CD 3.47Å; Y9-P36 HydrophobicContact CD2-CG 3.69Å; Y9-P36 HydrophobicContact CE2-CG 3.55Å; P36-I102 HydrophobicContact CB-CG2 3.84Å; P36-I102 HydrophobicContact CG-CG2 3.64Å
37G89.6Confident93Very high14 Ų1449.6 Ų49.614%0.14426%0.255CS..THydrogen-bonded Turntrans92.5-11.1-173.300000114.9V35 L98V35-G37 PolarHBondContact O-N 2.81Å; G37-L98 PolarHBondContact N-O 2.91Å
38E89.5Confident93Very high81 Ų8148.1 Ų48.138%0.37925%0.245SC..  trans-87.3147.4171-62-173.6162.900111P3 I34 V35 F97P3-E38 HydrophobicContact CB-CG 3.88Å; I34-E38 WeakPolarHBondContact CD1-O 3.49Å; I34-E38 HydrophobicContact CG1-CB 4.34Å; V35-E38 HydrophobicContact CB-CG 3.99Å; V35-E38 WeakPolarHBondContact O-CB 3.4Å; V35-E38 PolarHBondContact O-N 2.8Å; E38-F97 VanDerWaalsContact O-CB 3.25Å; E38-F97 WeakPolarHBondContact O-CB 3.2Å
39T91.8Very high93Very high86 Ų8648 Ų4853%0.52824%0.243SC..EExtended strand (participates in β ladder)trans-92.6145.2173.456.70000109.8I74 F95 F96 F97T39-I74 HydrophobicContact CG2-CD1 3.98Å; T39-F95 HydrophobicContact CG2-CE2 4.5Å; T39-F95 HydrophobicContact CG2-CZ 3.96Å; T39-F96 WeakPolarHBondContact CA-O 3.49Å; T39-F97 HydrophobicContact CG2-CB 4.06Å
40A93.1Very high93Very high9 Ų946.2 Ų46.27%0.07424%0.236CC..EExtended strand (participates in β ladder)trans-132.6144.6-17700000110.9L32 I34 F95 F96L32-A40 HydrophobicContact CD2-CB 3.43Å; L32-A40 VanDerWaalsContact CD2-CB 3.43Å; I34-A40 HydrophobicContact CD1-CB 3.43Å; I34-A40 VanDerWaalsContact CD1-CB 3.43Å; I34-A40 HydrophobicContact CG1-CB 4.18Å; A40-F95 WeakPolarHBondContact O-CD2 3.36Å; A40-F96 HydrophobicContact CB-CD1 4.34Å; A40-F96 HydrophobicContact CB-CD2 4.31Å; A40-F96 HydrophobicContact CB-CE1 3.83Å; A40-F96 HydrophobicContact CB-CE2 3.79Å; A40-F96 HydrophobicContact CB-CZ 3.53Å; A40-F96 PolarHBondContact N-O 2.87Å; A40-F96 PolarHBondContact O-N 2.93Å
41L92.7Very high92.9Very high80 Ų8044 Ų4442%0.41923%0.233SC..EExtended strand (participates in β ladder)trans-117.1127.9174.6-17562.6000109.1Q29 F43 P93 F95Q29-L41 PolarHBondContact NE2-O 3.29Å; L41-F43 HydrophobicContact CD1-CZ 4.47Å; L41-F43 HydrophobicContact CD2-CE2 3.72Å; L41-F43 HydrophobicContact CD2-CZ 3.54Å; L41-F43 HydrophobicContact CG-CE2 3.79Å; L41-F43 HydrophobicContact CG-CZ 3.91Å; L41-P93 HydrophobicContact CD1-CB 3.97Å; L41-F95 HydrophobicContact CB-CD2 4.24Å; L41-F95 HydrophobicContact CD1-CB 4.16Å; L41-F95 HydrophobicContact CD1-CD2 4.23Å
42A93Very high92.7Very high0 Ų049.2 Ų49.20%025%0.247CC..EExtended strand (participates in β ladder)trans-124.9154.9171.700000110.3F13 Q29 P93 V94 F96F13-A42 HydrophobicContact CD1-CB 4.16Å; F13-A42 HydrophobicContact CE1-CB 3.53Å; F13-A42 HydrophobicContact CE2-CB 3.96Å; F13-A42 HydrophobicContact CZ-CB 3.42Å; F13-A42 VanDerWaalsContact CZ-CB 3.42Å; Q29-A42 VanDerWaalsContact NE2-CA 3.32Å; Q29-A42 VanDerWaalsContact NE2-CB 3.32Å; A42-P93 CarbonylContact O-C 3.52Å; A42-P93 WeakPolarHBondContact O-CA 3.32Å; A42-V94 PolarHBondContact N-O 2.74Å; A42-V94 PolarHBondContact O-N 2.88Å; A42-F96 HydrophobicContact CB-CE1 4.17Å
43F92.8Very high92.6Very high83 Ų8350.1 Ų50.136%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-120.9142.4178.1-65.8-88.7000109.9S28 L41 P93S28-F43 WeakPolarHBondContact CB-O 3.45Å; S28-F43 PolarHBondContact N-O 2.85Å; S28-F43 WeakPolarHBondContact OG-CB 3.39Å; S28-F43 PolarHBondContact OG-O 2.79Å; L41-F43 HydrophobicContact CD1-CZ 4.47Å; L41-F43 HydrophobicContact CD2-CE2 3.72Å; L41-F43 HydrophobicContact CD2-CZ 3.54Å; L41-F43 HydrophobicContact CG-CE2 3.79Å; L41-F43 HydrophobicContact CG-CZ 3.91Å; F43-P93 HydrophobicContact CD1-CB 4.02Å; F43-P93 HydrophobicContact CE1-CB 3.76Å
44Y93.3Very high92.4Very high0 Ų042.8 Ų42.80%023%0.229CC..EExtended strand (participates in β ladder)trans-116.7144.3164.3-72.1-104.1000108.9F13 S14 A15 F25 K26 P27 F77 D91 L92 V94 L116 Y118F13-Y44 HydrophobicContact CB-CE1 4.49Å; F13-Y44 WeakPolarHBondContact CB-OH 3.01Å; F13-Y44 HydrophobicContact CD1-CE2 4.15Å; S14-Y44 WeakPolarHBondContact O-CE1 3.46Å; S14-Y44 PolarHBondContact O-OH 2.93Å; A15-Y44 HydrophobicContact CB-CD1 4.14Å; A15-Y44 HydrophobicContact CB-CE1 3.98Å; F25-Y44 AromaticContact CE1-CD1 3.83Å; F25-Y44 HydrophobicContact CE1-CD1 3.83Å; F25-Y44 HydrophobicContact CE1-CE1 4.2Å; F25-Y44 AromaticContact CE2-CD1 3.69Å; F25-Y44 HydrophobicContact CE2-CD1 3.69Å; F25-Y44 AromaticContact CE2-CG 3.84Å; F25-Y44 HydrophobicContact CE2-CG 3.84Å; F25-Y44 AromaticContact CZ-CD1 3.19Å; F25-Y44 HydrophobicContact CZ-CD1 3.19Å; F25-Y44 AromaticContact CZ-CE1 3.88Å; F25-Y44 HydrophobicContact CZ-CE1 3.88Å; F25-Y44 AromaticContact CZ-CG 3.64Å; F25-Y44 HydrophobicContact CZ-CG 3.64Å; K26-Y44 CarbonylContact O-C 3.51Å; K26-Y44 WeakPolarHBondContact O-CA 3.21Å; P27-Y44 HydrophobicContact CB-CD1 3.91Å; P27-Y44 HydrophobicContact CB-CE1 3.76Å; Y44-F77 HydrophobicContact CD2-CE1 4.33Å; Y44-D91 CarbonylContact O-C 3.58Å; Y44-D91 WeakPolarHBondContact O-CA 3.42Å; Y44-L92 PolarHBondContact N-O 2.94Å; Y44-L92 PolarHBondContact O-N 3.27Å; Y44-V94 HydrophobicContact CD2-CG2 3.87Å; Y44-V94 HydrophobicContact CE2-CG2 3.99Å; Y44-L116 PolarHBondContact OH-O 2.91Å; Y44-Y118 HydrophobicContact CE1-CD2 4.33Å; Y44-Y118 AromaticContact CE2-CD2 3.83Å; Y44-Y118 HydrophobicContact CE2-CD2 3.83Å; Y44-Y118 HydrophobicContact CE2-CE2 4.04Å; Y44-Y118 AromaticContact CZ-CD2 3.65Å; Y44-Y118 WeakPolarHBondContact OH-CD2 3.43Å
45T93.1Very high92.3Very high12 Ų1244.3 Ų44.37%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-104.8128.2175.6-60.50000108.5F25 K26 S28 K89 V90 D91F25-T45 WeakPolarHBondContact CA-O 3.49Å; K26-T45 PolarHBondContact N-O 3.11Å; K26-T45 PolarHBondContact O-N 3.09Å; S28-T45 PolarHBondContact OG-OG1 2.86Å; T45-K89 HydrophobicContact CG2-CD 4.17Å; T45-K89 HydrophobicContact CG2-CG 3.93Å; T45-V90 WeakPolarHBondContact CA-O 3.06Å; T45-D91 WeakPolarHBondContact CB-OD1 3.37Å; T45-D91 PolarHBondContact OG1-OD1 3.21Å
46A93.1Very high92.2Very high0 Ų043.3 Ų43.30%023%0.233CC..EExtended strand (participates in β ladder)trans-118.613217300000109.7W23 F25 L84 K89 V90 L92W23-A46 HydrophobicContact CE3-CB 3.98Å; W23-A46 HydrophobicContact CZ3-CB 4.22Å; F25-A46 HydrophobicContact CD2-CB 4.02Å; A46-L84 HydrophobicContact CB-CD1 3.95Å; A46-K89 CarbonylContact O-C 3.5Å; A46-K89 WeakPolarHBondContact O-CA 3.35Å; A46-V90 HydrophobicContact CB-CG2 4.09Å; A46-V90 PolarHBondContact N-O 3.45Å; A46-V90 PolarHBondContact O-N 3.44Å; A46-L92 HydrophobicContact CB-CD1 4.01Å
47E94.3Very high92.1Very high59 Ų5945.9 Ų45.928%0.27625%0.246SC..EExtended strand (participates in β ladder)trans-134135.5179.7176.3-179.2-173.400109.9W23 N24 P49 E88 K89W23-E47 CarbonylContact C-O 3.6Å; W23-E47 WeakPolarHBondContact CA-O 3.44Å; W23-E47 WeakPolarHBondContact CB-O 3.4Å; N24-E47 HydrophobicContact CB-CB 4.26Å; N24-E47 PolarHBondContact N-O 2.81Å; N24-E47 PolarHBondContact O-N 3.26Å; E47-P49 WeakPolarHBondContact O-CD 3.28Å; E47-E88 WeakPolarHBondContact CA-O 3.43Å; E47-K89 HydrophobicContact CB-CB 4.2Å; E47-K89 HydrophobicContact CB-CG 4.16Å; E47-K89 HydrophobicContact CG-CB 4.19Å
48N94.7Very high92.1Very high0 Ų045.2 Ų45.20%024%0.239CC..  trans-96.999.4172.5178.38.9000110.3T50 K52 L84 N85 H87 E88N48-T50 PolarHBondContact O-N 2.82Å; N48-T50 VanDerWaalsContact O-N 3.11Å; N48-T50 WeakPolarHBondContact OD1-CB 3.14Å; N48-T50 PolarHBondContact OD1-N 3.4Å; N48-T50 VanDerWaalsContact OD1-N 3.09Å; N48-T50 PolarHBondContact OD1-OG1 3.22Å; N48-K52 PolarHBondContact ND2-O 2.97Å; N48-L84 HydrophobicContact CB-CB 3.73Å; N48-L84 HydrophobicContact CB-CD1 4.42Å; N48-L84 PolarHBondContact ND2-O 3.47Å; N48-N85 WeakPolarHBondContact CB-O 3.35Å; N48-N85 PolarHBondContact ND2-O 2.98Å; N48-N85 VanDerWaalsContact ND2-O 3.14Å; N48-H87 WeakPolarHBondContact O-CA 3.34Å; N48-H87 PolarHBondContact O-N 3.23Å; N48-E88 PolarHBondContact N-O 2.79Å
49P93.3Very high92.1Very high65 Ų6543.8 Ų43.842%0.42224%0.236SC..  trans-78.39.7-178.235-38.8000113.7K22 E47K22-P49 WeakPolarHBondContact O-CD 3.24Å; K22-P49 WeakPolarHBondContact O-CG 3.18Å; E47-P49 WeakPolarHBondContact O-CD 3.28Å
50T92.9Very high92.1Very high23 Ų2344.1 Ų44.114%0.14123%0.228CC..SBendtrans-105.8161.2-173.178.60000112.1K22 N48 K52 I54 P86K22-T50 HydrophobicContact CB-CG2 3.69Å; K22-T50 HydrophobicContact CD-CG2 3.56Å; K22-T50 HydrophobicContact CG-CG2 4.29Å; N48-T50 PolarHBondContact O-N 2.82Å; N48-T50 VanDerWaalsContact O-N 3.11Å; N48-T50 WeakPolarHBondContact OD1-CB 3.14Å; N48-T50 PolarHBondContact OD1-N 3.4Å; N48-T50 VanDerWaalsContact OD1-N 3.09Å; N48-T50 PolarHBondContact OD1-OG1 3.22Å; T50-K52 PolarHBondContact O-N 2.68Å; T50-K52 PolarHBondContact OG1-N 3.29Å; T50-K52 PolarHBondContact OG1-O 2.73Å; T50-K52 VanDerWaalsContact OG1-O 3.06Å; T50-I54 HydrophobicContact CG2-CD1 3.96Å; T50-P86 WeakPolarHBondContact O-CA 3.26Å; T50-P86 WeakPolarHBondContact O-CB 3.25Å
51D93.8Very high92.1Very high130 Ų13046 Ų4670%0.69524%0.241SC*.SBendtrans-82.412.5177.4-54.3-53.3000114P86 H87D51-P86 WeakPolarHBondContact O-CG 3.39Å; D51-H87 IonicContact OD1-CD2 3.84Å; D51-H87 IonicContact OD1-CE1 3.47Å; D51-H87 IonicContact OD1-NE2 2.8Å; D51-H87 PolarHBondContact OD1-NE2 3.01Å
52K91.3Very high92.1Very high153 Ų15342.7 Ų42.767%0.66522%0.224SC*.SBendtrans-128.6145-179.5-65.2-176.4-178.4-178.90110.6N48 T50 I54N48-K52 PolarHBondContact ND2-O 2.97Å; T50-K52 PolarHBondContact O-N 2.68Å; T50-K52 PolarHBondContact OG1-N 3.29Å; T50-K52 PolarHBondContact OG1-O 2.73Å; T50-K52 VanDerWaalsContact OG1-O 3.06Å; K52-I54 PolarHBondContact O-N 2.75Å
53P91.2Very high92.2Very high63 Ų6346.4 Ų46.441%0.40924%0.244SC..  trans-63.4134.217127.6-33.7000109.7L84P53-L84 VanDerWaalsContact CA-O 3.32Å; P53-L84 WeakPolarHBondContact CA-O 3.14Å
54I91Very high92.2Very high16 Ų1644.4 Ų44.48%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-120.2137.1175.9-64.3176.6000107.3M21 K22 W23 T50 K52 L84 E122M21-I54 HydrophobicContact CE-CG2 3.66Å; M21-I54 HydrophobicContact SD-CG2 4.05Å; K22-I54 HydrophobicContact CB-CD1 4.16Å; W23-I54 HydrophobicContact CZ2-CG2 4.38Å; W23-I54 WeakPolarHBondContact CZ2-O 3.21Å; T50-I54 HydrophobicContact CG2-CD1 3.96Å; K52-I54 PolarHBondContact O-N 2.75Å; I54-L84 PolarHBondContact N-O 2.79Å; I54-L84 PolarHBondContact O-N 2.89Å; I54-E122 HydrophobicContact CG2-CG 4.17Å
55V90Very high92.1Very high36 Ų3650.1 Ų50.122%0.21827%0.268CS..EExtended strand (participates in β ladder)trans-103.9125.3171.8-171.70000107.8E81 Q82 R83 A123V55-E81 HydrophobicContact CG1-CB 3.68Å; V55-E81 HydrophobicContact CG1-CG 4.03Å; V55-Q82 CarbonylContact C-O 3.53Å; V55-Q82 WeakPolarHBondContact CA-O 3.4Å; V55-R83 HydrophobicContact CG2-CB 4.13Å; V55-R83 HydrophobicContact CG2-CG 4.13Å; V55-A123 HydrophobicContact CB-CB 4.2Å; V55-A123 HydrophobicContact CG1-CB 3.87Å; V55-A123 PolarHBondContact O-N 3.21Å
56G89.4Confident92.1Very high0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-113.5149.317700000111.6Q82 F121G56-Q82 PolarHBondContact N-O 3.43Å; G56-Q82 PolarHBondContact O-N 3.17Å; G56-F121 CarbonylContact C-O 3.55Å; G56-F121 WeakPolarHBondContact CA-O 3.48Å
57I89.2Confident92Very high53 Ų5353.6 Ų53.627%0.27228%0.283SS..EExtended strand (participates in β ladder)trans-123.1136.1166.2-171169.3000108.4F121 A123I57-F121 HydrophobicContact CG2-CB 4Å; I57-F121 PolarHBondContact N-O 2.75Å; I57-F121 PolarHBondContact O-N 2.81Å; I57-A123 HydrophobicContact CG2-CB 4.43Å
58A89.8Confident91.9Very high0 Ų053.1 Ų53.10%029%0.287CS..EExtended strand (participates in β ladder)trans-105.3140.7179.300000112F77 C78 F79 Y118 T119 F120A58-F77 HydrophobicContact CB-CD2 3.62Å; A58-F77 HydrophobicContact CB-CE2 3.35Å; A58-C78 WeakPolarHBondContact O-CA 3.43Å; A58-F79 PolarHBondContact O-N 2.99Å; A58-Y118 HydrophobicContact CB-CD1 4.19Å; A58-T119 WeakPolarHBondContact CA-O 3.06Å; A58-F120 HydrophobicContact CB-CD1 3.99Å; A58-F120 HydrophobicContact CB-CD2 4.08Å; A58-F120 HydrophobicContact CB-CE1 3.73Å; A58-F120 HydrophobicContact CB-CE2 3.83Å; A58-F120 HydrophobicContact CB-CG 4.18Å; A58-F120 HydrophobicContact CB-CZ 3.66Å
59T89.7Confident91.7Very high51 Ų5157.6 Ų57.631%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-115.9167162.870.40000109.5Y118 T119 F121T59-Y118 WeakPolarHBondContact O-CA 3.48Å; T59-Y118 WeakPolarHBondContact O-CD1 3.34Å; T59-T119 PolarHBondContact N-O 3.47Å; T59-T119 PolarHBondContact O-N 3.01Å; T59-F121 HydrophobicContact CG2-CD2 4.35Å; T59-F121 HydrophobicContact CG2-CE2 4.1Å; T59-F121 WeakPolarHBondContact OG1-CE2 3.42Å
60Y91.8Very high91.7Very high93 Ų9355.5 Ų55.537%0.36529%0.29SS..EExtended strand (participates in β ladder)trans-139158.2177.575.4-90.8000111.7V62 K73 C78 L116 N117Y60-V62 HydrophobicContact CD2-CG2 4.18Å; Y60-V62 HydrophobicContact CE2-CG2 4.17Å; Y60-K73 HydrophobicContact CD1-CD 4.36Å; Y60-K73 HydrophobicContact CD2-CD 4.37Å; Y60-K73 VanDerWaalsContact CD2-CE 3.41Å; Y60-K73 HydrophobicContact CE1-CD 3.98Å; Y60-K73 HydrophobicContact CE2-CD 4.03Å; Y60-K73 VanDerWaalsContact CE2-CE 3.44Å; Y60-C78 HydrophobicContact CD1-CB 4.11Å; Y60-C78 VanDerWaalsContact CD1-SG 3.53Å; Y60-C78 HydrophobicContact CE1-CB 4.49Å; Y60-L116 HydrophobicContact CD2-CD1 4.1Å; Y60-N117 CarbonylContact C-O 3.47Å; Y60-N117 WeakPolarHBondContact CA-O 3.18Å; Y60-N117 WeakPolarHBondContact CB-O 3.42Å
61S93.1Very high91.6Very high50 Ų5054.9 Ų54.935%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-135.9152.9167.861.20000110.4N117S61-N117 PolarHBondContact N-O 3.46Å; S61-N117 PolarHBondContact O-N 3.12Å
62V94Very high91.5Very high10 Ų1051.9 Ų51.96%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-119.7127.6176.21790000108Y60 F71 I114 I115 L116Y60-V62 HydrophobicContact CD2-CG2 4.18Å; Y60-V62 HydrophobicContact CE2-CG2 4.17Å; V62-F71 HydrophobicContact CG1-CB 4.1Å; V62-F71 HydrophobicContact CG1-CD2 4.33Å; V62-F71 HydrophobicContact CG1-CG 4.24Å; V62-F71 HydrophobicContact CG2-CB 4.23Å; V62-F71 HydrophobicContact CG2-CD1 3.98Å; V62-F71 HydrophobicContact CG2-CG 4Å; V62-I114 HydrophobicContact CG1-CG2 3.65Å; V62-I115 WeakPolarHBondContact CA-O 3.13Å; V62-L116 HydrophobicContact CG2-CD1 3.86Å
63L93.4Very high91.2Very high78 Ų7846.4 Ų46.441%0.40824%0.243SC..EExtended strand (participates in β ladder)trans-120.9142.3176.6-60174000110I65 I114 I115L63-I65 HydrophobicContact CD2-CG1 4.06Å; L63-I114 CarbonylContact O-C 3.51Å; L63-I114 WeakPolarHBondContact O-CA 3.41Å; L63-I115 HydrophobicContact CB-CB 4.28Å; L63-I115 PolarHBondContact N-O 3.47Å; L63-I115 PolarHBondContact O-N 3.03Å
64P93.8Very high90.7Very high40 Ų4047.6 Ų47.626%0.2625%0.245SC..SBendcis-65.4154.6-7.931.4-36.8000111.6E66 A67 L108P64-E66 WeakPolarHBondContact CB-OE2 3.23Å; P64-E66 PolarHBondContact O-N 2.99Å; P64-E66 VanDerWaalsContact O-N 3.15Å; P64-A67 HydrophobicContact CG-CB 4.08Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 3.41Å; P64-L108 HydrophobicContact CG-CD2 3.89Å
65I92Very high89.7Confident121 Ų12152.5 Ų52.562%0.62127%0.268SS*.Hα-helixtrans-60.2-31-174.7-62.8173000110.4L63 A67 S68L63-I65 HydrophobicContact CD2-CG1 4.06Å; I65-A67 PolarHBondContact O-N 3.18Å; I65-S68 VanDerWaalsContact O-CB 3.23Å; I65-S68 WeakPolarHBondContact O-CB 3.42Å; I65-S68 PolarHBondContact O-N 3.36Å; I65-S68 PolarHBondContact O-OG 3.48Å
66E91.4Very high88.9Confident84 Ų8452.5 Ų52.539%0.39327%0.269SS..Hα-helixtrans-62-28.1175.6-62.980.4178.800113.1P64 K69 L108P64-E66 WeakPolarHBondContact CB-OE2 3.23Å; P64-E66 PolarHBondContact O-N 2.99Å; P64-E66 VanDerWaalsContact O-N 3.15Å; E66-K69 WeakPolarHBondContact O-CE 3.48Å; E66-K69 VanDerWaalsContact O-CG 3.28Å; E66-K69 WeakPolarHBondContact O-CG 3.42Å; E66-L108 HydrophobicContact CB-CD2 3.99Å; E66-L108 HydrophobicContact CB-CG 4.27Å
67A91.9Very high88.1Confident0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-79.9-21.7175.100000112.3P64 I65 K69 Y70 F71 I102 L108 I114P64-A67 HydrophobicContact CG-CB 4.08Å; P64-A67 WeakPolarHBondContact O-CB 3.49Å; P64-A67 PolarHBondContact O-N 3.41Å; I65-A67 PolarHBondContact O-N 3.18Å; A67-K69 PolarHBondContact O-N 2.81Å; A67-Y70 PolarHBondContact O-N 2.87Å; A67-F71 PolarHBondContact O-N 3.46Å; A67-I102 HydrophobicContact CB-CD1 4.42Å; A67-L108 HydrophobicContact CB-CD1 4.15Å; A67-L108 HydrophobicContact CB-CD2 4.18Å; A67-I114 HydrophobicContact CB-CD1 4.14Å; A67-I114 HydrophobicContact CB-CG1 4.07Å
68S91.5Very high86.9Confident50 Ų5051 Ų5135%0.3526%0.261SS..Hα-helixtrans-57.8-34.4-177.171.80000113.5I65 Y70 F71I65-S68 VanDerWaalsContact O-CB 3.23Å; I65-S68 WeakPolarHBondContact O-CB 3.42Å; I65-S68 PolarHBondContact O-N 3.36Å; I65-S68 PolarHBondContact O-OG 3.48Å; S68-Y70 PolarHBondContact O-N 3.5Å; S68-F71 PolarHBondContact O-N 3.24Å
69K91.6Very high85.7Confident93 Ų9357.8 Ų57.840%0.40429%0.291SS..THydrogen-bonded Turntrans-67.2-19.5177.659.3167.1173.4148.80114.2E66 A67 D105E66-K69 WeakPolarHBondContact O-CE 3.48Å; E66-K69 VanDerWaalsContact O-CG 3.28Å; E66-K69 WeakPolarHBondContact O-CG 3.42Å; A67-K69 PolarHBondContact O-N 2.81Å; K69-D105 WeakPolarHBondContact CE-OD2 3.45Å; K69-D105 IonicContact NZ-OD2 2.62Å; K69-D105 PolarHBondContact NZ-OD2 3.46Å
70Y92.5Very high85.2Confident21 Ų2161.1 Ų61.18%0.08230%0.303CS..THydrogen-bonded Turntrans-104-7.4178.4-59.9-62.7000112.1A67 S68 H72 L98 D99 E101 I102 D105 L108A67-Y70 PolarHBondContact O-N 2.87Å; S68-Y70 PolarHBondContact O-N 3.5Å; Y70-H72 PolarHBondContact O-CD2 2.86Å; Y70-H72 PolarHBondContact O-N 2.91Å; Y70-L98 WeakPolarHBondContact O-CA 3.23Å; Y70-D99 HydrophobicContact CD1-CB 4.01Å; Y70-D99 PolarHBondContact O-N 2.82Å; Y70-E101 HydrophobicContact CD1-CB 4.12Å; Y70-E101 HydrophobicContact CE1-CB 3.59Å; Y70-I102 HydrophobicContact CD1-CB 4.36Å; Y70-I102 HydrophobicContact CD2-CB 3.83Å; Y70-I102 HydrophobicContact CD2-CD1 4.28Å; Y70-I102 HydrophobicContact CD2-CG1 3.61Å; Y70-I102 HydrophobicContact CE2-CB 4.36Å; Y70-I102 HydrophobicContact CE2-CG1 4.21Å; Y70-I102 HydrophobicContact CG-CB 3.78Å; Y70-I102 HydrophobicContact CG-CG1 4.02Å; Y70-D105 HydrophobicContact CE2-CB 3.79Å; Y70-D105 WeakPolarHBondContact OH-CB 3.48Å; Y70-D105 PolarHBondContact OH-OD2 2.03Å; Y70-L108 HydrophobicContact CD2-CD1 3.76Å; Y70-L108 HydrophobicContact CE2-CD1 3.82Å
71F91.9Very high84.8Confident10 Ų1063 Ų634%0.04432%0.316CS..EExtended strand (participates in β ladder)trans-90.7101.4179.8-166-77.3000109.2V11 V62 A67 S68 K73 F96 L98 I114 L116V11-F71 HydrophobicContact CG1-CE2 4.16Å; V11-F71 HydrophobicContact CG2-CE2 4.44Å; V62-F71 HydrophobicContact CG1-CB 4.1Å; V62-F71 HydrophobicContact CG1-CD2 4.33Å; V62-F71 HydrophobicContact CG1-CG 4.24Å; V62-F71 HydrophobicContact CG2-CB 4.23Å; V62-F71 HydrophobicContact CG2-CD1 3.98Å; V62-F71 HydrophobicContact CG2-CG 4Å; A67-F71 PolarHBondContact O-N 3.46Å; S68-F71 PolarHBondContact O-N 3.24Å; F71-K73 HydrophobicContact CD1-CG 4.03Å; F71-K73 HydrophobicContact CE1-CD 4.47Å; F71-K73 HydrophobicContact CE1-CG 3.73Å; F71-F96 HydrophobicContact CD2-CD2 4.46Å; F71-F96 HydrophobicContact CE1-CB 3.75Å; F71-F96 HydrophobicContact CE1-CD2 4.01Å; F71-F96 AromaticContact CE1-CG 3.93Å; F71-F96 HydrophobicContact CE1-CG 3.93Å; F71-F96 AromaticContact CE2-CD2 3.52Å; F71-F96 HydrophobicContact CE2-CD2 3.52Å; F71-F96 AromaticContact CE2-CE2 3.73Å; F71-F96 HydrophobicContact CE2-CE2 3.73Å; F71-F96 HydrophobicContact CE2-CG 4.21Å; F71-F96 HydrophobicContact CZ-CB 3.81Å; F71-F96 HydrophobicContact CZ-CD1 4.1Å; F71-F96 AromaticContact CZ-CD2 3.22Å; F71-F96 HydrophobicContact CZ-CD2 3.22Å; F71-F96 AromaticContact CZ-CE2 3.73Å; F71-F96 HydrophobicContact CZ-CE2 3.73Å; F71-F96 AromaticContact CZ-CG 3.43Å; F71-F96 HydrophobicContact CZ-CG 3.43Å; F71-F96 VanDerWaalsContact CZ-CG 3.43Å; F71-F96 HydrophobicContact CZ-CZ 4.34Å; F71-L98 HydrophobicContact CB-CD2 4.31Å; F71-L98 HydrophobicContact CD2-CD2 3.47Å; F71-L98 VanDerWaalsContact CD2-CD2 3.47Å; F71-L98 HydrophobicContact CE2-CD2 4.1Å; F71-L98 HydrophobicContact CG-CD2 4.23Å; F71-I114 HydrophobicContact CD2-CG2 4.07Å; F71-I114 HydrophobicContact CE2-CG2 4.39Å; F71-L116 HydrophobicContact CE1-CD1 4.14Å; F71-L116 HydrophobicContact CE1-CD2 4.2Å; F71-L116 HydrophobicContact CZ-CD1 4.3Å; F71-L116 HydrophobicContact CZ-CD2 3.84Å; F71-L116 HydrophobicContact CZ-CG 4.46Å
72H91.2Very high84.5Confident68 Ų6862.5 Ų62.532%0.31531%0.308SS..EExtended strand (participates in β ladder)trans-101.4118.3-178.5-66.1-72.7000110.6Y70 F96 F97 D99Y70-H72 PolarHBondContact O-CD2 2.86Å; Y70-H72 PolarHBondContact O-N 2.91Å; H72-F96 CarbonylContact O-C 3.58Å; H72-F96 WeakPolarHBondContact O-CA 3.28Å; H72-F96 WeakPolarHBondContact O-CB 3.18Å; H72-F97 HydrophobicContact CB-CD1 3.82Å; H72-F97 HydrophobicContact CB-CD2 4.23Å; H72-F97 HydrophobicContact CB-CE1 3.34Å; H72-F97 HydrophobicContact CB-CE2 3.76Å; H72-F97 HydrophobicContact CB-CG 4.27Å; H72-F97 HydrophobicContact CB-CZ 3.3Å; H72-F97 AromaticContact CD2-CE2 3.53Å; H72-F97 AromaticContact CD2-CZ 3.74Å; H72-F97 AromaticContact CG-CE2 3.87Å; H72-F97 AromaticContact CG-CZ 3.6Å; H72-F97 PolarHBondContact N-O 2.93Å; H72-F97 PolarHBondContact O-N 2.78Å; H72-D99 IonicContact NE2-OD2 3.24Å
73K84.5Confident84.3Confident37 Ų3768.6 Ų68.616%0.16133%0.33CS..EExtended strand (participates in β ladder)trans-87.1122.7170.6-65.4-172.1177.9-171.40109.2Y60 F71 C76 F96 Y118Y60-K73 HydrophobicContact CD1-CD 4.36Å; Y60-K73 HydrophobicContact CD2-CD 4.37Å; Y60-K73 VanDerWaalsContact CD2-CE 3.41Å; Y60-K73 HydrophobicContact CE1-CD 3.98Å; Y60-K73 HydrophobicContact CE2-CD 4.03Å; Y60-K73 VanDerWaalsContact CE2-CE 3.44Å; F71-K73 HydrophobicContact CD1-CG 4.03Å; F71-K73 HydrophobicContact CE1-CD 4.47Å; F71-K73 HydrophobicContact CE1-CG 3.73Å; K73-C76 HydrophobicContact CD-CB 4.42Å; K73-C76 WeakPolarHBondContact CD-SG 3.45Å; K73-C76 PolarHBondContact NZ-SG 2.98Å; K73-F96 HydrophobicContact CG-CB 4.5Å; K73-Y118 PolarHBondContact NZ-OH 3.37Å
74I80.8Confident84.3Confident89 Ų8965 Ų6546%0.45631%0.311SS..EExtended strand (participates in β ladder)trans-82.7-42.8174.3-60170.7000109.2T39 F95 F97T39-I74 HydrophobicContact CG2-CD1 3.98Å; I74-F95 HydrophobicContact CB-CB 4.43Å; I74-F95 HydrophobicContact CB-CD1 3.58Å; I74-F95 HydrophobicContact CB-CE1 4.22Å; I74-F95 HydrophobicContact CB-CG 4.3Å; I74-F95 HydrophobicContact CD1-CD1 3.53Å; I74-F95 HydrophobicContact CD1-CE1 3.32Å; I74-F95 HydrophobicContact CD1-CG 4.33Å; I74-F95 HydrophobicContact CD1-CZ 3.98Å; I74-F95 HydrophobicContact CG1-CD1 4.12Å; I74-F95 HydrophobicContact CG1-CE1 4.35Å; I74-F95 HydrophobicContact CG2-CD1 3.62Å; I74-F95 HydrophobicContact CG2-CE1 4.08Å; I74-F95 PolarHBondContact N-O 3.29Å; I74-F97 HydrophobicContact CD1-CD1 3.69Å; I74-F97 HydrophobicContact CD1-CE1 4.2Å; I74-F97 HydrophobicContact CG1-CD1 3.74Å; I74-F97 HydrophobicContact CG1-CE1 3.93Å
75Q71.1Confident84.2Confident118 Ų11866.6 Ų66.655%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans-136.2124.3177.8-166.5175.2-49.800110.3F95Q75-F95 HydrophobicContact CB-CB 4.18Å; Q75-F95 PolarHBondContact N-O 2.83Å; Q75-F95 PolarHBondContact O-N 2.97Å
76C72.9Confident84.3Confident37 Ų3763.3 Ų63.325%0.2530%0.304CS..  trans-123.1129.8-179-134.30000107.1K73 C78 Y118K73-C76 HydrophobicContact CD-CB 4.42Å; K73-C76 WeakPolarHBondContact CD-SG 3.45Å; K73-C76 PolarHBondContact NZ-SG 2.98Å; C76-C78 HydrophobicContact CB-CB 3.74Å; C76-C78 WeakPolarHBondContact CB-SG 3.48Å; C76-C78 PolarHBondContact O-N 2.95Å; C76-C78 WeakPolarHBondContact SG-CB 3.43Å; C76-C78 CovalentContact SG-SG 2.03Å; C76-C78 PolarHBondContact SG-SG 2.81Å; C76-Y118 PolarHBondContact SG-OH 2.67Å
77F72Confident84.5Confident12 Ų1264.6 Ų64.65%0.05331%0.31CS..  trans-72.81.4159.960.3-97.8000112.1F25 Y44 A58 L92 V94 Y118 F120F25-F77 HydrophobicContact CE2-CZ 4.4Å; F25-F77 HydrophobicContact CZ-CE2 4.48Å; F25-F77 HydrophobicContact CZ-CZ 4.03Å; Y44-F77 HydrophobicContact CD2-CE1 4.33Å; A58-F77 HydrophobicContact CB-CD2 3.62Å; A58-F77 HydrophobicContact CB-CE2 3.35Å; F77-L92 HydrophobicContact CD1-CB 3.78Å; F77-L92 HydrophobicContact CD1-CD1 4.44Å; F77-L92 HydrophobicContact CD2-CD1 4.13Å; F77-L92 HydrophobicContact CE1-CB 3.95Å; F77-L92 HydrophobicContact CE1-CD1 4.49Å; F77-L92 HydrophobicContact CE2-CD1 4.2Å; F77-L92 HydrophobicContact CG-CB 4.26Å; F77-L92 HydrophobicContact CG-CD1 4.25Å; F77-L92 HydrophobicContact CZ-CD1 4.38Å; F77-V94 HydrophobicContact CD1-CG2 3.9Å; F77-V94 HydrophobicContact CE1-CG2 3.38Å; F77-V94 HydrophobicContact CZ-CG2 4.43Å; F77-Y118 HydrophobicContact CD1-CE1 4.28Å; F77-Y118 HydrophobicContact CD2-CD1 4.45Å; F77-Y118 HydrophobicContact CD2-CE1 4.05Å; F77-Y118 HydrophobicContact CE1-CD1 4.15Å; F77-Y118 AromaticContact CE1-CE1 3.62Å; F77-Y118 HydrophobicContact CE1-CE1 3.62Å; F77-Y118 HydrophobicContact CE1-CE2 4.32Å; F77-Y118 AromaticContact CE1-CZ 3.69Å; F77-Y118 AromaticContact CE2-CD1 3.38Å; F77-Y118 HydrophobicContact CE2-CD1 3.38Å; F77-Y118 AromaticContact CE2-CE1 3.31Å; F77-Y118 HydrophobicContact CE2-CE1 3.31Å; F77-Y118 HydrophobicContact CE2-CG 4.31Å; F77-Y118 HydrophobicContact CG-CE1 4.49Å; F77-Y118 AromaticContact CZ-CD1 3.19Å; F77-Y118 HydrophobicContact CZ-CD1 3.19Å; F77-Y118 HydrophobicContact CZ-CD2 4.26Å; F77-Y118 AromaticContact CZ-CE1 3.06Å; F77-Y118 HydrophobicContact CZ-CE1 3.06Å; F77-Y118 HydrophobicContact CZ-CE2 4.17Å; F77-Y118 AromaticContact CZ-CG 3.77Å; F77-Y118 HydrophobicContact CZ-CG 3.77Å; F77-Y118 AromaticContact CZ-CZ 3.59Å; F77-F120 HydrophobicContact CD2-CE2 4.18Å; F77-F120 AromaticContact CD2-CZ 3.82Å; F77-F120 HydrophobicContact CD2-CZ 3.82Å; F77-F120 AromaticContact CE2-CE2 3.48Å; F77-F120 HydrophobicContact CE2-CE2 3.48Å; F77-F120 VanDerWaalsContact CE2-CE2 3.48Å; F77-F120 AromaticContact CE2-CZ 3.61Å; F77-F120 HydrophobicContact CE2-CZ 3.61Å; F77-F120 HydrophobicContact CZ-CE2 4.2Å
78C64.5Low84.6Confident8 Ų867.8 Ų67.85%0.05432%0.324CS..THydrogen-bonded Turntrans-65.4138.6-179.3-39.10000109.8A58 Y60 C76 E80 Y118A58-C78 WeakPolarHBondContact O-CA 3.43Å; Y60-C78 HydrophobicContact CD1-CB 4.11Å; Y60-C78 VanDerWaalsContact CD1-SG 3.53Å; Y60-C78 HydrophobicContact CE1-CB 4.49Å; C76-C78 HydrophobicContact CB-CB 3.74Å; C76-C78 WeakPolarHBondContact CB-SG 3.48Å; C76-C78 PolarHBondContact O-N 2.95Å; C76-C78 WeakPolarHBondContact SG-CB 3.43Å; C76-C78 CovalentContact SG-SG 2.03Å; C76-C78 PolarHBondContact SG-SG 2.81Å; C78-E80 PolarHBondContact O-N 3.5Å; C78-Y118 WeakPolarHBondContact SG-CE1 3.39Å; C78-Y118 VanDerWaalsContact SG-CZ 3.6Å; C78-Y118 PolarHBondContact SG-OH 2.89Å
79F64.5Low84.8Confident143 Ų14371.4 Ų71.463%0.62733%0.334SS*.THydrogen-bonded Turntrans70.7-2.5179-45.5-70.5000116.7A58A58-F79 PolarHBondContact O-N 2.99Å
80E78.9Confident84.8Confident121 Ų12168.7 Ų68.757%0.56533%0.325SS*.SBendtrans-91.6136.1168.4-68.1-178.8-179.700110.2C78 Q82C78-E80 PolarHBondContact O-N 3.5Å; E80-Q82 PolarHBondContact O-N 2.93Å; E80-Q82 VanDerWaalsContact O-N 3.16Å
81E83.8Confident84.8Confident133 Ų13372.3 Ų72.362%0.62135%0.346SS*.  trans-67.9110.3171.3-74.7-171.5-178.700109.4V55 A123V55-E81 HydrophobicContact CG1-CB 3.68Å; V55-E81 HydrophobicContact CG1-CG 4.03Å; E81-A123 HydrophobicContact CG-CB 4.47Å
82Q86.8Confident84.7Confident39 Ų3972.4 Ų72.418%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-92.6112.7175.3-61.5-57.4-4900108.2W23 V55 G56 E80 F120W23-Q82 HydrophobicContact CH2-CB 3.73Å; W23-Q82 WeakPolarHBondContact CH2-O 3.35Å; W23-Q82 HydrophobicContact CZ3-CB 4.23Å; V55-Q82 CarbonylContact C-O 3.53Å; V55-Q82 WeakPolarHBondContact CA-O 3.4Å; G56-Q82 PolarHBondContact N-O 3.43Å; G56-Q82 PolarHBondContact O-N 3.17Å; E80-Q82 PolarHBondContact O-N 2.93Å; E80-Q82 VanDerWaalsContact O-N 3.16Å; Q82-F120 HydrophobicContact CB-CE1 4.42Å; Q82-F120 HydrophobicContact CG-CE1 4.37Å
83R89.9Confident84.7Confident139 Ų13971.4 Ų71.453%0.52535%0.346SS..EExtended strand (participates in β ladder)trans-97.2120.2173.9179.5175.9173.3145.9-4.3109.3V55V55-R83 HydrophobicContact CG2-CB 4.13Å; V55-R83 HydrophobicContact CG2-CG 4.13Å
84L92.2Very high85.1Confident3 Ų369.7 Ų69.72%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-109.4125170.6-63.3-173.7000110W23 A46 N48 P53 I54 E88 V90W23-L84 HydrophobicContact CD2-CD1 3.81Å; W23-L84 HydrophobicContact CE3-CD1 3.98Å; W23-L84 HydrophobicContact CH2-CB 4.39Å; W23-L84 HydrophobicContact CH2-CD1 3.79Å; W23-L84 HydrophobicContact CH2-CG 3.64Å; W23-L84 HydrophobicContact CZ2-CB 3.67Å; W23-L84 HydrophobicContact CZ2-CD1 3.65Å; W23-L84 HydrophobicContact CZ2-CG 3.41Å; W23-L84 VanDerWaalsContact CZ2-CG 3.41Å; W23-L84 HydrophobicContact CZ3-CD1 3.95Å; W23-L84 HydrophobicContact CZ3-CG 4.29Å; A46-L84 HydrophobicContact CB-CD1 3.95Å; N48-L84 HydrophobicContact CB-CB 3.73Å; N48-L84 HydrophobicContact CB-CD1 4.42Å; N48-L84 PolarHBondContact ND2-O 3.47Å; P53-L84 VanDerWaalsContact CA-O 3.32Å; P53-L84 WeakPolarHBondContact CA-O 3.14Å; I54-L84 PolarHBondContact N-O 2.79Å; I54-L84 PolarHBondContact O-N 2.89Å; L84-E88 HydrophobicContact CB-CB 4.44Å; L84-E88 HydrophobicContact CD2-CG 4.27Å; L84-V90 HydrophobicContact CD1-CG2 4.18Å; L84-V90 HydrophobicContact CD2-CB 4.17Å; L84-V90 HydrophobicContact CD2-CG1 3.53Å; L84-V90 HydrophobicContact CD2-CG2 3.53Å; L84-V90 HydrophobicContact CG-CG2 4.45Å
85N93.4Very high85.6Confident72 Ų7268.6 Ų68.639%0.38533%0.331SS..  trans-67.4168.4172.6-63.8-59000110.9N48 H87 E88N48-N85 WeakPolarHBondContact CB-O 3.35Å; N48-N85 PolarHBondContact ND2-O 2.98Å; N48-N85 VanDerWaalsContact ND2-O 3.14Å; N85-H87 PolarHBondContact O-N 3.43Å; N85-E88 HydrophobicContact CB-CB 4.1Å; N85-E88 VanDerWaalsContact CB-OE2 3.24Å; N85-E88 WeakPolarHBondContact CB-OE2 3.28Å; N85-E88 PolarHBondContact N-OE2 2.89Å; N85-E88 PolarHBondContact ND2-OE2 3.22Å; N85-E88 VanDerWaalsContact O-CB 3.26Å; N85-E88 WeakPolarHBondContact O-CB 3.4Å; N85-E88 PolarHBondContact O-N 2.98Å; N85-E88 VanDerWaalsContact O-N 3.1Å
86P94.2Very high86.7Confident53 Ų5363 Ų6334%0.34431%0.305SS..THydrogen-bonded Turntrans-53.1129.5175.1-29.738.4000112.7T50 D51 E88T50-P86 WeakPolarHBondContact O-CA 3.26Å; T50-P86 WeakPolarHBondContact O-CB 3.25Å; D51-P86 WeakPolarHBondContact O-CG 3.39Å; P86-E88 PolarHBondContact O-N 2.9Å
87H93.9Very high87.6Confident111 Ų11163.1 Ų63.151%0.51430%0.301SS..THydrogen-bonded Turntrans58.415.5-179.6-52.7-70.3000114.7N48 D51 N85N48-H87 WeakPolarHBondContact O-CA 3.34Å; N48-H87 PolarHBondContact O-N 3.23Å; D51-H87 IonicContact OD1-CD2 3.84Å; D51-H87 IonicContact OD1-CE1 3.47Å; D51-H87 IonicContact OD1-NE2 2.8Å; D51-H87 PolarHBondContact OD1-NE2 3.01Å; N85-H87 PolarHBondContact O-N 3.43Å
88E94.6Very high88.6Confident67 Ų6762.6 Ų62.631%0.31330%0.299SS..  trans-78.2135177.1-172.2171.3-161.100110.3E47 N48 L84 N85 P86 V90E47-E88 WeakPolarHBondContact CA-O 3.43Å; N48-E88 PolarHBondContact N-O 2.79Å; L84-E88 HydrophobicContact CB-CB 4.44Å; L84-E88 HydrophobicContact CD2-CG 4.27Å; N85-E88 HydrophobicContact CB-CB 4.1Å; N85-E88 VanDerWaalsContact CB-OE2 3.24Å; N85-E88 WeakPolarHBondContact CB-OE2 3.28Å; N85-E88 PolarHBondContact N-OE2 2.89Å; N85-E88 PolarHBondContact ND2-OE2 3.22Å; N85-E88 VanDerWaalsContact O-CB 3.26Å; N85-E88 WeakPolarHBondContact O-CB 3.4Å; N85-E88 PolarHBondContact O-N 2.98Å; N85-E88 VanDerWaalsContact O-N 3.1Å; P86-E88 PolarHBondContact O-N 2.9Å; E88-V90 HydrophobicContact CG-CG1 4.18Å
89K94.7Very high89.9Confident125 Ų12563.8 Ų63.854%0.54331%0.305SS..EExtended strand (participates in β ladder)trans-123129176.3179.9-176.4178.4-166.10109.1T45 A46 E47T45-K89 HydrophobicContact CG2-CD 4.17Å; T45-K89 HydrophobicContact CG2-CG 3.93Å; A46-K89 CarbonylContact O-C 3.5Å; A46-K89 WeakPolarHBondContact O-CA 3.35Å; E47-K89 HydrophobicContact CB-CB 4.2Å; E47-K89 HydrophobicContact CB-CG 4.16Å; E47-K89 HydrophobicContact CG-CB 4.19Å
90V92.4Very high91.1Very high37 Ų3758.2 Ų58.222%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-129.4150.2178.9-59.40000111T45 A46 L84 E88 L92T45-V90 WeakPolarHBondContact CA-O 3.06Å; A46-V90 HydrophobicContact CB-CG2 4.09Å; A46-V90 PolarHBondContact N-O 3.45Å; A46-V90 PolarHBondContact O-N 3.44Å; L84-V90 HydrophobicContact CD1-CG2 4.18Å; L84-V90 HydrophobicContact CD2-CB 4.17Å; L84-V90 HydrophobicContact CD2-CG1 3.53Å; L84-V90 HydrophobicContact CD2-CG2 3.53Å; L84-V90 HydrophobicContact CG-CG2 4.45Å; E88-V90 HydrophobicContact CG-CG1 4.18Å; V90-L92 HydrophobicContact CG2-CD2 4.03Å; V90-L92 HydrophobicContact CG2-CG 4.17Å
91D92.1Very high91.7Very high96 Ų9658.2 Ų58.251%0.51328%0.283SS..EExtended strand (participates in β ladder)trans-103.8124.9168.9-68.4-38.3000109.4Y44 T45 P93Y44-D91 CarbonylContact O-C 3.58Å; Y44-D91 WeakPolarHBondContact O-CA 3.42Å; T45-D91 WeakPolarHBondContact CB-OD1 3.37Å; T45-D91 PolarHBondContact OG1-OD1 3.21Å; D91-P93 WeakPolarHBondContact O-CD 3.21Å
92L91Very high91.9Very high13 Ų1351.9 Ų51.97%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-104.2107.3-175.5-62175.1000109.1F25 Y44 A46 F77 V90 F120F25-L92 HydrophobicContact CE2-CD1 4.33Å; Y44-L92 PolarHBondContact N-O 2.94Å; Y44-L92 PolarHBondContact O-N 3.27Å; A46-L92 HydrophobicContact CB-CD1 4.01Å; F77-L92 HydrophobicContact CD1-CB 3.78Å; F77-L92 HydrophobicContact CD1-CD1 4.44Å; F77-L92 HydrophobicContact CD2-CD1 4.13Å; F77-L92 HydrophobicContact CE1-CB 3.95Å; F77-L92 HydrophobicContact CE1-CD1 4.49Å; F77-L92 HydrophobicContact CE2-CD1 4.2Å; F77-L92 HydrophobicContact CG-CB 4.26Å; F77-L92 HydrophobicContact CG-CD1 4.25Å; F77-L92 HydrophobicContact CZ-CD1 4.38Å; V90-L92 HydrophobicContact CG2-CD2 4.03Å; V90-L92 HydrophobicContact CG2-CG 4.17Å; L92-F120 HydrophobicContact CD1-CE2 3.94Å; L92-F120 HydrophobicContact CD1-CZ 3.67Å
93P91.5Very high91.8Very high47 Ų4751.5 Ų51.531%0.30526%0.255SS..EExtended strand (participates in β ladder)trans-74.3142.8177.928.5-32.6000111.6L41 A42 F43 D91L41-P93 HydrophobicContact CD1-CB 3.97Å; A42-P93 CarbonylContact O-C 3.52Å; A42-P93 WeakPolarHBondContact O-CA 3.32Å; F43-P93 HydrophobicContact CD1-CB 4.02Å; F43-P93 HydrophobicContact CE1-CB 3.76Å; D91-P93 WeakPolarHBondContact O-CD 3.21Å
94V91.2Very high91.7Very high0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-123.7113.3170.2-176.10000108A42 Y44 F77 F96 L116 Y118A42-V94 PolarHBondContact N-O 2.74Å; A42-V94 PolarHBondContact O-N 2.88Å; Y44-V94 HydrophobicContact CD2-CG2 3.87Å; Y44-V94 HydrophobicContact CE2-CG2 3.99Å; F77-V94 HydrophobicContact CD1-CG2 3.9Å; F77-V94 HydrophobicContact CE1-CG2 3.38Å; F77-V94 HydrophobicContact CZ-CG2 4.43Å; V94-F96 HydrophobicContact CG1-CD1 4.2Å; V94-L116 HydrophobicContact CG1-CD2 4.2Å; V94-Y118 HydrophobicContact CG1-CE2 4.36Å; V94-Y118 HydrophobicContact CG2-CE2 3.94Å
95F92.5Very high91.5Very high67 Ų6749.8 Ų49.829%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-105.4123.7177.7-167.6-133.4000109.6T39 A40 L41 I74 Q75T39-F95 HydrophobicContact CG2-CE2 4.5Å; T39-F95 HydrophobicContact CG2-CZ 3.96Å; A40-F95 WeakPolarHBondContact O-CD2 3.36Å; L41-F95 HydrophobicContact CB-CD2 4.24Å; L41-F95 HydrophobicContact CD1-CB 4.16Å; L41-F95 HydrophobicContact CD1-CD2 4.23Å; I74-F95 HydrophobicContact CB-CB 4.43Å; I74-F95 HydrophobicContact CB-CD1 3.58Å; I74-F95 HydrophobicContact CB-CE1 4.22Å; I74-F95 HydrophobicContact CB-CG 4.3Å; I74-F95 HydrophobicContact CD1-CD1 3.53Å; I74-F95 HydrophobicContact CD1-CE1 3.32Å; I74-F95 HydrophobicContact CD1-CG 4.33Å; I74-F95 HydrophobicContact CD1-CZ 3.98Å; I74-F95 HydrophobicContact CG1-CD1 4.12Å; I74-F95 HydrophobicContact CG1-CE1 4.35Å; I74-F95 HydrophobicContact CG2-CD1 3.62Å; I74-F95 HydrophobicContact CG2-CE1 4.08Å; I74-F95 PolarHBondContact N-O 3.29Å; Q75-F95 HydrophobicContact CB-CB 4.18Å; Q75-F95 PolarHBondContact N-O 2.83Å; Q75-F95 PolarHBondContact O-N 2.97Å
96F93.6Very high91.1Very high0 Ų052.7 Ų52.70%027%0.274CS..EExtended strand (participates in β ladder)trans-148.6167-173.169.1-86.6000112V11 F13 L32 I34 T39 A40 A42 F71 H72 K73 V94V11-F96 HydrophobicContact CB-CZ 4.4Å; V11-F96 HydrophobicContact CG1-CE2 4.46Å; V11-F96 HydrophobicContact CG1-CZ 4.25Å; V11-F96 HydrophobicContact CG2-CE2 4.03Å; V11-F96 HydrophobicContact CG2-CZ 4.32Å; F13-F96 AromaticContact CE1-CE1 3.85Å; F13-F96 HydrophobicContact CE1-CE1 3.85Å; F13-F96 HydrophobicContact CE1-CZ 4.08Å; F13-F96 AromaticContact CZ-CE1 3.82Å; F13-F96 HydrophobicContact CZ-CE1 3.82Å; F13-F96 AromaticContact CZ-CZ 3.79Å; F13-F96 HydrophobicContact CZ-CZ 3.79Å; L32-F96 HydrophobicContact CD2-CZ 4.12Å; I34-F96 HydrophobicContact CD1-CD2 4.35Å; I34-F96 HydrophobicContact CD1-CE2 3.85Å; T39-F96 WeakPolarHBondContact CA-O 3.49Å; A40-F96 HydrophobicContact CB-CD1 4.34Å; A40-F96 HydrophobicContact CB-CD2 4.31Å; A40-F96 HydrophobicContact CB-CE1 3.83Å; A40-F96 HydrophobicContact CB-CE2 3.79Å; A40-F96 HydrophobicContact CB-CZ 3.53Å; A40-F96 PolarHBondContact N-O 2.87Å; A40-F96 PolarHBondContact O-N 2.93Å; A42-F96 HydrophobicContact CB-CE1 4.17Å; F71-F96 HydrophobicContact CD2-CD2 4.46Å; F71-F96 HydrophobicContact CE1-CB 3.75Å; F71-F96 HydrophobicContact CE1-CD2 4.01Å; F71-F96 AromaticContact CE1-CG 3.93Å; F71-F96 HydrophobicContact CE1-CG 3.93Å; F71-F96 AromaticContact CE2-CD2 3.52Å; F71-F96 HydrophobicContact CE2-CD2 3.52Å; F71-F96 AromaticContact CE2-CE2 3.73Å; F71-F96 HydrophobicContact CE2-CE2 3.73Å; F71-F96 HydrophobicContact CE2-CG 4.21Å; F71-F96 HydrophobicContact CZ-CB 3.81Å; F71-F96 HydrophobicContact CZ-CD1 4.1Å; F71-F96 AromaticContact CZ-CD2 3.22Å; F71-F96 HydrophobicContact CZ-CD2 3.22Å; F71-F96 AromaticContact CZ-CE2 3.73Å; F71-F96 HydrophobicContact CZ-CE2 3.73Å; F71-F96 AromaticContact CZ-CG 3.43Å; F71-F96 HydrophobicContact CZ-CG 3.43Å; F71-F96 VanDerWaalsContact CZ-CG 3.43Å; F71-F96 HydrophobicContact CZ-CZ 4.34Å; H72-F96 CarbonylContact O-C 3.58Å; H72-F96 WeakPolarHBondContact O-CA 3.28Å; H72-F96 WeakPolarHBondContact O-CB 3.18Å; K73-F96 HydrophobicContact CG-CB 4.5Å; V94-F96 HydrophobicContact CG1-CD1 4.2Å
97F92.3Very high90.8Very high40 Ų4057.5 Ų57.518%0.17529%0.285CS..EExtended strand (participates in β ladder)trans-143.9160.7167.667.6-85000110.3M1 E38 T39 H72 I74M1-F97 HydrophobicContact CE-CD2 3.81Å; M1-F97 HydrophobicContact CE-CE2 3.43Å; M1-F97 VanDerWaalsContact CE-CE2 3.43Å; M1-F97 HydrophobicContact CE-CZ 4.44Å; M1-F97 HydrophobicContact SD-CD2 4.15Å; M1-F97 HydrophobicContact SD-CE2 4.06Å; E38-F97 VanDerWaalsContact O-CB 3.25Å; E38-F97 WeakPolarHBondContact O-CB 3.2Å; T39-F97 HydrophobicContact CG2-CB 4.06Å; H72-F97 HydrophobicContact CB-CD1 3.82Å; H72-F97 HydrophobicContact CB-CD2 4.23Å; H72-F97 HydrophobicContact CB-CE1 3.34Å; H72-F97 HydrophobicContact CB-CE2 3.76Å; H72-F97 HydrophobicContact CB-CG 4.27Å; H72-F97 HydrophobicContact CB-CZ 3.3Å; H72-F97 AromaticContact CD2-CE2 3.53Å; H72-F97 AromaticContact CD2-CZ 3.74Å; H72-F97 AromaticContact CG-CE2 3.87Å; H72-F97 AromaticContact CG-CZ 3.6Å; H72-F97 PolarHBondContact N-O 2.93Å; H72-F97 PolarHBondContact O-N 2.78Å; I74-F97 HydrophobicContact CD1-CD1 3.69Å; I74-F97 HydrophobicContact CD1-CE1 4.2Å; I74-F97 HydrophobicContact CG1-CD1 3.74Å; I74-F97 HydrophobicContact CG1-CE1 3.93Å
98L92.7Very high90.4Very high0 Ų052.3 Ų52.30%026%0.262CS..EExtended strand (participates in β ladder)trans-99.3130.5168.9-64.6-177.4000109.4Y9 I34 G37 Y70 F71 I114Y9-L98 HydrophobicContact CD1-CD1 4.48Å; Y9-L98 HydrophobicContact CD2-CD1 4.06Å; Y9-L98 HydrophobicContact CG-CD1 3.82Å; I34-L98 HydrophobicContact CD1-CG 4.45Å; I34-L98 HydrophobicContact CG2-CD1 3.55Å; I34-L98 HydrophobicContact CG2-CG 4.11Å; G37-L98 PolarHBondContact N-O 2.91Å; Y70-L98 WeakPolarHBondContact O-CA 3.23Å; F71-L98 HydrophobicContact CB-CD2 4.31Å; F71-L98 HydrophobicContact CD2-CD2 3.47Å; F71-L98 VanDerWaalsContact CD2-CD2 3.47Å; F71-L98 HydrophobicContact CE2-CD2 4.1Å; F71-L98 HydrophobicContact CG-CD2 4.23Å; L98-I114 HydrophobicContact CD1-CD1 3.7Å; L98-I114 HydrophobicContact CD2-CD1 3.64Å; L98-I114 HydrophobicContact CG-CD1 4.35Å
99D92.1Very high89.8Confident34 Ų3454.4 Ų54.418%0.18227%0.27CS..  trans-64.4128.6173.8-164.3-52.2000110.7Y70 H72 E101 I102Y70-D99 HydrophobicContact CD1-CB 4.01Å; Y70-D99 PolarHBondContact O-N 2.82Å; H72-D99 IonicContact NE2-OD2 3.24Å; D99-E101 PolarHBondContact O-N 2.78Å; D99-E101 WeakPolarHBondContact OD1-CB 3.4Å; D99-E101 WeakPolarHBondContact OD1-CG 3.17Å; D99-E101 PolarHBondContact OD1-N 2.84Å; D99-I102 WeakPolarHBondContact O-CB 3.44Å; D99-I102 WeakPolarHBondContact O-CG2 3.36Å; D99-I102 PolarHBondContact O-N 3.09Å
100P90.5Very high89.3Confident25 Ų2560.5 Ų60.516%0.16229%0.289CS..G310 helixtrans-43.7-33.3170.3-33.238.1000115.3M1 V4 I102 S103M1-P100 HydrophobicContact CE-CG 3.95Å; M1-P100 HydrophobicContact CG-CG 3.87Å; V4-P100 HydrophobicContact CG2-CB 3.88Å; P100-I102 PolarHBondContact O-N 3.19Å; P100-I102 VanDerWaalsContact O-N 3.12Å; P100-S103 WeakPolarHBondContact O-CB 3.14Å; P100-S103 PolarHBondContact O-N 3.03Å; P100-S103 PolarHBondContact O-OG 2.57Å
101E89.6Confident89.1Confident121 Ų12160 Ų6057%0.56529%0.287SS*.G310 helixtrans-61-17.5178.1-69.3-170178.100113.3Y70 D99 S103 S104 D105Y70-E101 HydrophobicContact CD1-CB 4.12Å; Y70-E101 HydrophobicContact CE1-CB 3.59Å; D99-E101 PolarHBondContact O-N 2.78Å; D99-E101 WeakPolarHBondContact OD1-CB 3.4Å; D99-E101 WeakPolarHBondContact OD1-CG 3.17Å; D99-E101 PolarHBondContact OD1-N 2.84Å; E101-S103 PolarHBondContact O-N 3.19Å; E101-S103 VanDerWaalsContact O-N 3.13Å; E101-S104 PolarHBondContact O-N 2.87Å; E101-S104 VanDerWaalsContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.06Å; E101-D105 PolarHBondContact O-N 2.96Å
102I88.6Confident89Confident0 Ų058.1 Ų58.10%028%0.282CS..G310 helixtrans-56.6-29.2171.4-160.1173.1000112.2Y9 P36 A67 Y70 D99 P100 S104 D105 L108 I114Y9-I102 HydrophobicContact CD1-CD1 4.29Å; Y9-I102 HydrophobicContact CE1-CD1 3.69Å; Y9-I102 HydrophobicContact CE1-CG1 4.24Å; Y9-I102 HydrophobicContact CE2-CD1 4.41Å; Y9-I102 HydrophobicContact CE2-CG2 3.71Å; P36-I102 HydrophobicContact CB-CG2 3.84Å; P36-I102 HydrophobicContact CG-CG2 3.64Å; A67-I102 HydrophobicContact CB-CD1 4.42Å; Y70-I102 HydrophobicContact CD1-CB 4.36Å; Y70-I102 HydrophobicContact CD2-CB 3.83Å; Y70-I102 HydrophobicContact CD2-CD1 4.28Å; Y70-I102 HydrophobicContact CD2-CG1 3.61Å; Y70-I102 HydrophobicContact CE2-CB 4.36Å; Y70-I102 HydrophobicContact CE2-CG1 4.21Å; Y70-I102 HydrophobicContact CG-CB 3.78Å; Y70-I102 HydrophobicContact CG-CG1 4.02Å; D99-I102 WeakPolarHBondContact O-CB 3.44Å; D99-I102 WeakPolarHBondContact O-CG2 3.36Å; D99-I102 PolarHBondContact O-N 3.09Å; P100-I102 PolarHBondContact O-N 3.19Å; P100-I102 VanDerWaalsContact O-N 3.12Å; I102-S104 VanDerWaalsContact C-N 3.3Å; I102-S104 PolarHBondContact O-N 2.89Å; I102-D105 PolarHBondContact O-N 2.98Å; I102-L108 HydrophobicContact CD1-CD1 4.03Å; I102-L108 HydrophobicContact CG1-CD1 3.54Å; I102-I114 HydrophobicContact CD1-CD1 3.93Å
103S85.7Confident89.1Confident32 Ų3262.7 Ų62.722%0.22430%0.303CS..G310 helixtrans-71.3-25.2-179.1-55.10000112.6P100 E101P100-S103 WeakPolarHBondContact O-CB 3.14Å; P100-S103 PolarHBondContact O-N 3.03Å; P100-S103 PolarHBondContact O-OG 2.57Å; E101-S103 PolarHBondContact O-N 3.19Å; E101-S103 VanDerWaalsContact O-N 3.13Å
104S86.6Confident89.2Confident89 Ų8960.5 Ų60.562%0.62229%0.288SS*.THydrogen-bonded Turntrans-92-13.8179.466.30000113.5E101 I102 Q106E101-S104 PolarHBondContact O-N 2.87Å; E101-S104 VanDerWaalsContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.06Å; I102-S104 VanDerWaalsContact C-N 3.3Å; I102-S104 PolarHBondContact O-N 2.89Å; S104-Q106 PolarHBondContact O-N 2.87Å
105D88Confident89.4Confident16 Ų1663.8 Ų63.89%0.08631%0.305CS..  trans-70.6115.1179-163.9-38.3000111.9K69 Y70 E101 I102 R107 L108 K109K69-D105 WeakPolarHBondContact CE-OD2 3.45Å; K69-D105 IonicContact NZ-OD2 2.62Å; K69-D105 PolarHBondContact NZ-OD2 3.46Å; Y70-D105 HydrophobicContact CE2-CB 3.79Å; Y70-D105 WeakPolarHBondContact OH-CB 3.48Å; Y70-D105 PolarHBondContact OH-OD2 2.03Å; E101-D105 PolarHBondContact O-N 2.96Å; I102-D105 PolarHBondContact O-N 2.98Å; D105-R107 PolarHBondContact O-N 2.81Å; D105-R107 VanDerWaalsContact OD1-CB 3.28Å; D105-R107 WeakPolarHBondContact OD1-CB 2.99Å; D105-R107 PolarHBondContact OD1-N 2.92Å; D105-R107 IonicContact OD1-NE 3.3Å; D105-R107 PolarHBondContact OD1-NE 3.23Å; D105-R107 IonicContact OD2-CZ 3.18Å; D105-R107 IonicContact OD2-NE 2.93Å; D105-R107 PolarHBondContact OD2-NE 3.11Å; D105-R107 IonicContact OD2-NH2 2.75Å; D105-R107 PolarHBondContact OD2-NH2 2.9Å; D105-L108 HydrophobicContact CB-CB 4.35Å; D105-L108 HydrophobicContact CB-CD1 4.37Å; D105-L108 PolarHBondContact O-N 2.82Å; D105-L108 VanDerWaalsContact O-N 3.13Å; D105-K109 PolarHBondContact O-N 3.16Å
106Q86.1Confident89.5Confident133 Ų13360.6 Ų60.662%0.62129%0.291SS*.G310 helixtrans-55.5-36.7177.7-173.968.229.500113.1S104 L108 K109S104-Q106 PolarHBondContact O-N 2.87Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 2.75Å; Q106-K109 WeakPolarHBondContact O-CB 3.36Å; Q106-K109 PolarHBondContact O-N 2.78Å; Q106-K109 VanDerWaalsContact OE1-CD 3.29Å
107R86.2Confident89.5Confident154 Ų15461.7 Ų61.758%0.58130%0.297SS*.G310 helixtrans-68.8-31.5-178-62.5174.8-66.1174.41.5111.6D105D105-R107 PolarHBondContact O-N 2.81Å; D105-R107 VanDerWaalsContact OD1-CB 3.28Å; D105-R107 WeakPolarHBondContact OD1-CB 2.99Å; D105-R107 PolarHBondContact OD1-N 2.92Å; D105-R107 IonicContact OD1-NE 3.3Å; D105-R107 PolarHBondContact OD1-NE 3.23Å; D105-R107 IonicContact OD2-CZ 3.18Å; D105-R107 IonicContact OD2-NE 2.93Å; D105-R107 PolarHBondContact OD2-NE 3.11Å; D105-R107 IonicContact OD2-NH2 2.75Å; D105-R107 PolarHBondContact OD2-NH2 2.9Å
108L87.3Confident89.5Confident3 Ų359.8 Ų59.82%0.01629%0.289CS..G310 helixtrans-93.90.8-179.5-65.9172.1000112.8R7 P64 E66 A67 Y70 I102 D105 Q106 R110 C111R7-L108 PolarHBondContact NH1-O 3.25Å; R7-L108 PolarHBondContact NH2-O 3.25Å; P64-L108 HydrophobicContact CG-CD2 3.89Å; E66-L108 HydrophobicContact CB-CD2 3.99Å; E66-L108 HydrophobicContact CB-CG 4.27Å; A67-L108 HydrophobicContact CB-CD1 4.15Å; A67-L108 HydrophobicContact CB-CD2 4.18Å; Y70-L108 HydrophobicContact CD2-CD1 3.76Å; Y70-L108 HydrophobicContact CE2-CD1 3.82Å; I102-L108 HydrophobicContact CD1-CD1 4.03Å; I102-L108 HydrophobicContact CG1-CD1 3.54Å; D105-L108 HydrophobicContact CB-CB 4.35Å; D105-L108 HydrophobicContact CB-CD1 4.37Å; D105-L108 PolarHBondContact O-N 2.82Å; D105-L108 VanDerWaalsContact O-N 3.13Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 2.75Å; L108-R110 PolarHBondContact O-N 3.38Å; L108-C111 HydrophobicContact CB-CB 4.45Å; L108-C111 HydrophobicContact CD2-CB 3.91Å; L108-C111 PolarHBondContact O-N 3.07Å
109K81.9Confident89.4Confident111 Ų11161.1 Ų61.148%0.48330%0.297SS..THydrogen-bonded Turntrans-53.8-26.9-177.6-81.9-173.5178.6-176.10116.1R7 D105 Q106R7-K109 VanDerWaalsContact NH2-C 3.29Å; R7-K109 PolarHBondContact NH2-O 3.14Å; R7-K109 VanDerWaalsContact NH2-O 3.11Å; D105-K109 PolarHBondContact O-N 3.16Å; Q106-K109 WeakPolarHBondContact O-CB 3.36Å; Q106-K109 PolarHBondContact O-N 2.78Å; Q106-K109 VanDerWaalsContact OE1-CD 3.29Å
110R82.7Confident89.3Confident252 Ų25259.5 Ų59.595%0.95129%0.288SS*.THydrogen-bonded Turntrans-107.51.3177.5-63.3-175.9179.8-178.4-0.2113.7L108L108-R110 PolarHBondContact O-N 3.38Å
111C88.1Confident89.2Confident27 Ų2761.8 Ų61.818%0.18230%0.296CS..  trans-97.5116.8178.5178.70000109R7 Y9 L108 E113R7-C111 PolarHBondContact NH2-O 3.44Å; Y9-C111 WeakPolarHBondContact CE1-O 3.26Å; L108-C111 HydrophobicContact CB-CB 4.45Å; L108-C111 HydrophobicContact CD2-CB 3.91Å; L108-C111 PolarHBondContact O-N 3.07Å; C111-E113 PolarHBondContact SG-O 3.07Å
112S90Very high89.2Confident57 Ų5759.2 Ų59.240%0.39928%0.284SS..  trans-116.25.3172.2-54.30000111.7Y9 T10Y9-S112 CarbonylContact C-O 3.57Å; Y9-S112 WeakPolarHBondContact CA-O 3.28Å; T10-S112 PolarHBondContact N-O 2.85Å
113E93.9Very high88.9Confident109 Ų10960.4 Ų60.451%0.50929%0.294SS..EExtended strand (participates in β ladder)trans-120.6126.3-174.8-59.3-169.2137.400109.4T10 Y12 C111T10-E113 WeakPolarHBondContact O-CA 3.11Å; Y12-E113 HydrophobicContact CD2-CB 4.36Å; Y12-E113 HydrophobicContact CE2-CB 3.96Å; Y12-E113 HydrophobicContact CE2-CG 3.86Å; Y12-E113 WeakPolarHBondContact CE2-OE1 3.24Å; Y12-E113 PolarHBondContact OH-OE1 3.13Å; C111-E113 PolarHBondContact SG-O 3.07Å
114I94.2Very high88.4Confident0 Ų064.9 Ų64.90%031%0.309CS..EExtended strand (participates in β ladder)trans-121.8133.7175.7-62.4173.2000106.9Y9 T10 V11 Y12 V62 L63 A67 F71 L98 I102Y9-I114 HydrophobicContact CD1-CD1 3.84Å; Y9-I114 HydrophobicContact CD1-CG1 4.14Å; Y9-I114 HydrophobicContact CE1-CD1 4.46Å; Y9-I114 HydrophobicContact CG-CD1 4.38Å; T10-I114 PolarHBondContact O-N 2.81Å; V11-I114 CarbonylContact C-O 3.44Å; V11-I114 VanDerWaalsContact CA-O 3.24Å; V11-I114 WeakPolarHBondContact CA-O 3.38Å; V11-I114 HydrophobicContact CG2-CB 4.38Å; Y12-I114 PolarHBondContact N-O 2.7Å; V62-I114 HydrophobicContact CG1-CG2 3.65Å; L63-I114 CarbonylContact O-C 3.51Å; L63-I114 WeakPolarHBondContact O-CA 3.41Å; A67-I114 HydrophobicContact CB-CD1 4.14Å; A67-I114 HydrophobicContact CB-CG1 4.07Å; F71-I114 HydrophobicContact CD2-CG2 4.07Å; F71-I114 HydrophobicContact CE2-CG2 4.39Å; L98-I114 HydrophobicContact CD1-CD1 3.7Å; L98-I114 HydrophobicContact CD2-CD1 3.64Å; L98-I114 HydrophobicContact CG-CD1 4.35Å; I102-I114 HydrophobicContact CD1-CD1 3.93Å
115I95.5Very high87.1Confident70 Ų7068.7 Ų68.736%0.35931%0.314SS..EExtended strand (participates in β ladder)trans-107.5120.8175-54.9171.9000107.5Y12 V62 L63Y12-I115 CarbonylContact O-C 3.58Å; Y12-I115 WeakPolarHBondContact O-CA 3.18Å; V62-I115 WeakPolarHBondContact CA-O 3.13Å; L63-I115 HydrophobicContact CB-CB 4.28Å; L63-I115 PolarHBondContact N-O 3.47Å; L63-I115 PolarHBondContact O-N 3.03Å
116L94.2Very high85.2Confident0 Ų071.3 Ų71.30%034%0.338CS..EExtended strand (participates in β ladder)trans-98.3105.1167.5179.763.2000108.2V11 Y12 F13 S14 Y44 Y60 V62 F71 V94 Y118V11-L116 HydrophobicContact CG1-CB 4.22Å; Y12-L116 PolarHBondContact O-N 2.79Å; F13-L116 HydrophobicContact CD1-CB 4.18Å; F13-L116 HydrophobicContact CD1-CD2 3.98Å; F13-L116 HydrophobicContact CE1-CB 4.48Å; F13-L116 HydrophobicContact CE1-CD2 3.93Å; S14-L116 PolarHBondContact N-O 3.05Å; Y44-L116 PolarHBondContact OH-O 2.91Å; Y60-L116 HydrophobicContact CD2-CD1 4.1Å; V62-L116 HydrophobicContact CG2-CD1 3.86Å; F71-L116 HydrophobicContact CE1-CD1 4.14Å; F71-L116 HydrophobicContact CE1-CD2 4.2Å; F71-L116 HydrophobicContact CZ-CD1 4.3Å; F71-L116 HydrophobicContact CZ-CD2 3.84Å; F71-L116 HydrophobicContact CZ-CG 4.46Å; V94-L116 HydrophobicContact CG1-CD2 4.2Å; L116-Y118 HydrophobicContact CD1-CD2 4.46Å; L116-Y118 HydrophobicContact CD1-CE2 4.15Å; L116-Y118 HydrophobicContact CD2-CD2 4.33Å; L116-Y118 HydrophobicContact CD2-CE2 3.78Å; L116-Y118 HydrophobicContact CG-CD2 4.06Å; L116-Y118 HydrophobicContact CG-CE2 3.91Å
117N93.7Very high83.1Confident22 Ų2273.7 Ų73.712%0.11835%0.347CS..EExtended strand (participates in β ladder)trans-97.5133.9175.8-165.244000110.4S14 D16 Y60 S61S14-N117 WeakPolarHBondContact CB-OD1 3.35Å; S14-N117 PolarHBondContact O-OD1 3.1Å; S14-N117 PolarHBondContact OG-OD1 2.92Å; D16-N117 PolarHBondContact OD2-ND2 2.91Å; D16-N117 PolarHBondContact OD2-OD1 3.27Å; D16-N117 VanDerWaalsContact OD2-OD1 3.09Å; Y60-N117 CarbonylContact C-O 3.47Å; Y60-N117 WeakPolarHBondContact CA-O 3.18Å; Y60-N117 WeakPolarHBondContact CB-O 3.42Å; S61-N117 PolarHBondContact N-O 3.46Å; S61-N117 PolarHBondContact O-N 3.12Å
118Y91.6Very high81Confident0 Ų074.5 Ų74.50%035%0.354CS..EExtended strand (participates in β ladder)trans-115.2134.6170.3-92-91.8000110S14 A15 D16 Y44 A58 T59 K73 C76 F77 C78 V94 L116S14-Y118 PolarHBondContact O-N 2.89Å; A15-Y118 CarbonylContact C-O 3.59Å; A15-Y118 WeakPolarHBondContact CA-O 3.44Å; D16-Y118 PolarHBondContact N-O 3.15Å; Y44-Y118 HydrophobicContact CE1-CD2 4.33Å; Y44-Y118 AromaticContact CE2-CD2 3.83Å; Y44-Y118 HydrophobicContact CE2-CD2 3.83Å; Y44-Y118 HydrophobicContact CE2-CE2 4.04Å; Y44-Y118 AromaticContact CZ-CD2 3.65Å; Y44-Y118 WeakPolarHBondContact OH-CD2 3.43Å; A58-Y118 HydrophobicContact CB-CD1 4.19Å; T59-Y118 WeakPolarHBondContact O-CA 3.48Å; T59-Y118 WeakPolarHBondContact O-CD1 3.34Å; K73-Y118 PolarHBondContact NZ-OH 3.37Å; C76-Y118 PolarHBondContact SG-OH 2.67Å; F77-Y118 HydrophobicContact CD1-CE1 4.28Å; F77-Y118 HydrophobicContact CD2-CD1 4.45Å; F77-Y118 HydrophobicContact CD2-CE1 4.05Å; F77-Y118 HydrophobicContact CE1-CD1 4.15Å; F77-Y118 AromaticContact CE1-CE1 3.62Å; F77-Y118 HydrophobicContact CE1-CE1 3.62Å; F77-Y118 HydrophobicContact CE1-CE2 4.32Å; F77-Y118 AromaticContact CE1-CZ 3.69Å; F77-Y118 AromaticContact CE2-CD1 3.38Å; F77-Y118 HydrophobicContact CE2-CD1 3.38Å; F77-Y118 AromaticContact CE2-CE1 3.31Å; F77-Y118 HydrophobicContact CE2-CE1 3.31Å; F77-Y118 HydrophobicContact CE2-CG 4.31Å; F77-Y118 HydrophobicContact CG-CE1 4.49Å; F77-Y118 AromaticContact CZ-CD1 3.19Å; F77-Y118 HydrophobicContact CZ-CD1 3.19Å; F77-Y118 HydrophobicContact CZ-CD2 4.26Å; F77-Y118 AromaticContact CZ-CE1 3.06Å; F77-Y118 HydrophobicContact CZ-CE1 3.06Å; F77-Y118 HydrophobicContact CZ-CE2 4.17Å; F77-Y118 AromaticContact CZ-CG 3.77Å; F77-Y118 HydrophobicContact CZ-CG 3.77Å; F77-Y118 AromaticContact CZ-CZ 3.59Å; C78-Y118 WeakPolarHBondContact SG-CE1 3.39Å; C78-Y118 VanDerWaalsContact SG-CZ 3.6Å; C78-Y118 PolarHBondContact SG-OH 2.89Å; V94-Y118 HydrophobicContact CG1-CE2 4.36Å; V94-Y118 HydrophobicContact CG2-CE2 3.94Å; L116-Y118 HydrophobicContact CD1-CD2 4.46Å; L116-Y118 HydrophobicContact CD1-CE2 4.15Å; L116-Y118 HydrophobicContact CD2-CD2 4.33Å; L116-Y118 HydrophobicContact CD2-CE2 3.78Å; L116-Y118 HydrophobicContact CG-CD2 4.06Å; L116-Y118 HydrophobicContact CG-CE2 3.91Å
119T91.2Very high78.8Confident28 Ų2881.8 Ų81.817%0.17239%0.388CS..EExtended strand (participates in β ladder)trans-122.5122.7175.4-50.70000110D16 A58 T59 F121D16-T119 HydrophobicContact CB-CG2 4.07Å; D16-T119 VanDerWaalsContact O-CA 3.28Å; D16-T119 WeakPolarHBondContact O-CA 3.44Å; A58-T119 WeakPolarHBondContact CA-O 3.06Å; T59-T119 PolarHBondContact N-O 3.47Å; T59-T119 PolarHBondContact O-N 3.01Å; T119-F121 HydrophobicContact CG2-CD2 4.41Å; T119-F121 HydrophobicContact CG2-CE1 4.3Å; T119-F121 HydrophobicContact CG2-CE2 3.61Å; T119-F121 HydrophobicContact CG2-CZ 3.56Å
120F90Very high77.2Confident0 Ų080.7 Ų80.70%039%0.387CS..EExtended strand (participates in β ladder)trans-92.5135174.6-98-81.1000112.1D16 T17 H18 M21 W23 F25 A58 F77 Q82 L92D16-F120 PolarHBondContact O-N 2.62Å; T17-F120 HydrophobicContact CG2-CB 4.4Å; H18-F120 PolarHBondContact N-O 3.18Å; M21-F120 HydrophobicContact CG-CB 4.5Å; W23-F120 HydrophobicContact CE3-CD1 4.01Å; W23-F120 HydrophobicContact CE3-CE1 4.13Å; W23-F120 HydrophobicContact CE3-CG 4.34Å; W23-F120 HydrophobicContact CH2-CE1 4.26Å; W23-F120 AromaticContact CZ3-CD1 3.69Å; W23-F120 HydrophobicContact CZ3-CD1 3.69Å; W23-F120 AromaticContact CZ3-CE1 3.41Å; W23-F120 HydrophobicContact CZ3-CE1 3.41Å; W23-F120 VanDerWaalsContact CZ3-CE1 3.41Å; W23-F120 HydrophobicContact CZ3-CG 4.41Å; W23-F120 AromaticContact CZ3-CZ 3.92Å; W23-F120 HydrophobicContact CZ3-CZ 3.92Å; F25-F120 HydrophobicContact CB-CD2 4.45Å; F25-F120 AromaticContact CD1-CD2 3.6Å; F25-F120 HydrophobicContact CD1-CD2 3.6Å; F25-F120 HydrophobicContact CD1-CE2 4.26Å; F25-F120 AromaticContact CD2-CD2 3.73Å; F25-F120 HydrophobicContact CD2-CD2 3.73Å; F25-F120 AromaticContact CD2-CE2 3.68Å; F25-F120 HydrophobicContact CD2-CE2 3.68Å; F25-F120 AromaticContact CE1-CD2 3.64Å; F25-F120 HydrophobicContact CE1-CD2 3.64Å; F25-F120 HydrophobicContact CE1-CE2 4.03Å; F25-F120 AromaticContact CE2-CD2 3.73Å; F25-F120 HydrophobicContact CE2-CD2 3.73Å; F25-F120 AromaticContact CE2-CE2 3.36Å; F25-F120 HydrophobicContact CE2-CE2 3.36Å; F25-F120 AromaticContact CG-CD2 3.66Å; F25-F120 HydrophobicContact CG-CD2 3.66Å; F25-F120 HydrophobicContact CG-CE2 4.11Å; F25-F120 AromaticContact CZ-CD2 3.7Å; F25-F120 HydrophobicContact CZ-CD2 3.7Å; F25-F120 AromaticContact CZ-CE2 3.57Å; F25-F120 HydrophobicContact CZ-CE2 3.57Å; A58-F120 HydrophobicContact CB-CD1 3.99Å; A58-F120 HydrophobicContact CB-CD2 4.08Å; A58-F120 HydrophobicContact CB-CE1 3.73Å; A58-F120 HydrophobicContact CB-CE2 3.83Å; A58-F120 HydrophobicContact CB-CG 4.18Å; A58-F120 HydrophobicContact CB-CZ 3.66Å; F77-F120 HydrophobicContact CD2-CE2 4.18Å; F77-F120 AromaticContact CD2-CZ 3.82Å; F77-F120 HydrophobicContact CD2-CZ 3.82Å; F77-F120 AromaticContact CE2-CE2 3.48Å; F77-F120 HydrophobicContact CE2-CE2 3.48Å; F77-F120 VanDerWaalsContact CE2-CE2 3.48Å; F77-F120 AromaticContact CE2-CZ 3.61Å; F77-F120 HydrophobicContact CE2-CZ 3.61Å; F77-F120 HydrophobicContact CZ-CE2 4.2Å; Q82-F120 HydrophobicContact CB-CE1 4.42Å; Q82-F120 HydrophobicContact CG-CE1 4.37Å; L92-F120 HydrophobicContact CD1-CE2 3.94Å; L92-F120 HydrophobicContact CD1-CZ 3.67Å
121F89.2Confident75.5Confident73 Ų7374.1 Ų74.132%0.3238%0.377SS..EExtended strand (participates in β ladder)trans-118.6143.6175.1-59.8-92.4000109.4H18 G56 I57 T59 T119 A123H18-F121 HydrophobicContact CB-CD1 3.72Å; H18-F121 HydrophobicContact CB-CE1 4.11Å; H18-F121 HydrophobicContact CB-CG 4.41Å; H18-F121 AromaticContact CD2-CD1 4Å; H18-F121 AromaticContact CD2-CE1 3.91Å; H18-F121 AromaticContact CG-CD1 3.92Å; G56-F121 CarbonylContact C-O 3.55Å; G56-F121 WeakPolarHBondContact CA-O 3.48Å; I57-F121 HydrophobicContact CG2-CB 4Å; I57-F121 PolarHBondContact N-O 2.75Å; I57-F121 PolarHBondContact O-N 2.81Å; T59-F121 HydrophobicContact CG2-CD2 4.35Å; T59-F121 HydrophobicContact CG2-CE2 4.1Å; T59-F121 WeakPolarHBondContact OG1-CE2 3.42Å; T119-F121 HydrophobicContact CG2-CD2 4.41Å; T119-F121 HydrophobicContact CG2-CE1 4.3Å; T119-F121 HydrophobicContact CG2-CE2 3.61Å; T119-F121 HydrophobicContact CG2-CZ 3.56Å; F121-A123 PolarHBondContact O-N 2.91Å
122E88.2Confident74Confident68 Ų6876.7 Ų76.732%0.31841%0.408SS..EExtended strand (participates in β ladder)trans-70.8118.3170.5-168.9-175.6174.100108.5M21 I54 K124M21-E122 WeakPolarHBondContact SD-CA 3.44Å; M21-E122 HydrophobicContact SD-CB 3.63Å; M21-E122 HydrophobicContact SD-CG 4.25Å; M21-E122 PolarHBondContact SD-N 2.93Å; M21-E122 VanDerWaalsContact SD-N 3.4Å; I54-E122 HydrophobicContact CG2-CG 4.17Å; E122-K124 VanDerWaalsContact CD-CE 3.41Å; E122-K124 HydrophobicContact CG-CG 4.13Å; E122-K124 PolarHBondContact O-N 3.11Å; E122-K124 WeakPolarHBondContact OE2-CE 3.28Å; E122-K124 IonicContact OE2-NZ 3.07Å
123A83.3Confident72.3Confident25 Ų2579.1 Ų79.121%0.20742%0.415CS..  trans-74.68017200000108.2V55 I57 E81 F121 K125V55-A123 HydrophobicContact CB-CB 4.2Å; V55-A123 HydrophobicContact CG1-CB 3.87Å; V55-A123 PolarHBondContact O-N 3.21Å; I57-A123 HydrophobicContact CG2-CB 4.43Å; E81-A123 HydrophobicContact CG-CB 4.47Å; F121-A123 PolarHBondContact O-N 2.91Å; A123-K125 PolarHBondContact O-N 2.76Å
124K74.9Confident70.3Confident126 Ų12680.6 Ų80.655%0.54843%0.432SS..  trans-70126.4166.3-68.2-172.7-177.5-179.90106.9E122 A126E122-K124 VanDerWaalsContact CD-CE 3.41Å; E122-K124 HydrophobicContact CG-CG 4.13Å; E122-K124 PolarHBondContact O-N 3.11Å; E122-K124 WeakPolarHBondContact OE2-CE 3.28Å; E122-K124 IonicContact OE2-NZ 3.07Å; K124-A126 PolarHBondContact O-N 2.67Å
125K59.3Low68.2Low169 Ų16985.8 Ų85.874%0.73546%0.463SS*.  trans-59.892.6152.6-70.3-173.2-179.2-176.50105.5A123 K127A123-K125 PolarHBondContact O-N 2.76Å; K125-K127 PolarHBondContact O-N 3.36Å
126A48.8Very low65.5Low71 Ų7188.2 Ų88.259%0.58748%0.484SS*.  trans-54.3105.1157.500000103.4K124 F128K124-A126 PolarHBondContact O-N 2.67Å; A126-F128 HydrophobicContact CB-CD2 4.03Å; A126-F128 PolarHBondContact O-N 3.36Å
127K41.7Very low62.9Low183 Ų18397 Ų9780%0.79653%0.525SS*.  trans-6282.8158.5-69.6-171.2-180-170.50103.5K125 H129K125-K127 PolarHBondContact O-N 3.36Å; K127-H129 PolarHBondContact O-N 3.25Å
128F40.6Very low60.3Low170 Ų170105.3 Ų105.375%0.74656%0.556SS**  trans-63.890.3162.7-112.4-84.7000103.4A126 I130A126-F128 HydrophobicContact CB-CD2 4.03Å; A126-F128 PolarHBondContact O-N 3.36Å; F128-I130 PolarHBondContact O-N 3.02Å
129H41Very low57.3Low157 Ų157110.4 Ų110.473%0.72759%0.592SS**  trans-70.387.6168.3-165.781.6000105K127 P131K127-H129 PolarHBondContact O-N 3.25Å; H129-P131 VanDerWaalsContact O-CD 3.28Å; H129-P131 WeakPolarHBondContact O-CD 3.49Å
130I48.5Very low54.5Low87 Ų87111.8 Ų111.845%0.44661%0.606SS.*  trans-72.2113.4162.1-56.2172.9000104F128 G132 I133F128-I130 PolarHBondContact O-N 3.02Å; I130-G132 PolarHBondContact O-N 2.92Å; I130-I133 HydrophobicContact CB-CB 4.34Å; I130-I133 HydrophobicContact CB-CD1 4.39Å; I130-I133 HydrophobicContact CB-CG1 4.45Å; I130-I133 HydrophobicContact CD1-CD1 4.09Å; I130-I133 HydrophobicContact CG2-CD1 3.95Å; I130-I133 HydrophobicContact CG2-CG1 4.13Å; I130-I133 PolarHBondContact O-N 3.23Å; I130-I133 VanDerWaalsContact O-N 3.14Å
131P47.4Very low51.7Low114 Ų114117.2 Ų117.274%0.7464%0.64SS**THydrogen-bonded Turntrans-56.8114.5176.1-17.830.4000107.9H129H129-P131 VanDerWaalsContact O-CD 3.28Å; H129-P131 WeakPolarHBondContact O-CD 3.49Å
132G55.9Low49Very low81 Ų81122.6 Ų122.684%0.83567%0.666SS**THydrogen-bonded Turntrans103.73.1179.400000117.4I130I130-G132 PolarHBondContact O-N 2.92Å
133I55.4Low46.4Very low108 Ų108128.5 Ų128.555%0.55469%0.693SS**  trans-122.8110.3170.4-56.8178.6000109.7I130 T135I130-I133 HydrophobicContact CB-CB 4.34Å; I130-I133 HydrophobicContact CB-CD1 4.39Å; I130-I133 HydrophobicContact CB-CG1 4.45Å; I130-I133 HydrophobicContact CD1-CD1 4.09Å; I130-I133 HydrophobicContact CG2-CD1 3.95Å; I130-I133 HydrophobicContact CG2-CG1 4.13Å; I130-I133 PolarHBondContact O-N 3.23Å; I130-I133 VanDerWaalsContact O-N 3.14Å; I133-T135 PolarHBondContact O-N 3.45Å
134T51.2Low44Very low140 Ų140131.8 Ų131.886%0.85971%0.714SS**  trans-69.7110.4169.439.10000109.1
135T50.5Low42.1Very low109 Ų109134.5 Ų134.567%0.66973%0.729SS**  trans-71.2128.4168.74.80000108.3I133 E137I133-T135 PolarHBondContact O-N 3.45Å; T135-E137 PolarHBondContact O-N 3.13Å
136P39.3Very low41.2Very low121 Ų121133 Ų13379%0.78673%0.734SS**  trans-67.8126.7176.426.2-30.7000109.7Y138P136-Y138 PolarHBondContact O-N 2.82Å; P136-Y138 VanDerWaalsContact O-N 3.09Å
137E38.6Very low40.8Very low185 Ų185137.1 Ų137.186%0.86475%0.745SS**  trans-67.4101170.9-77.6-178.7149.400109.4T135 S139T135-E137 PolarHBondContact O-N 3.13Å; E137-S139 VanDerWaalsContact C-N 3.31Å; E137-S139 PolarHBondContact O-N 3.24Å
138Y38.8Very low40.6Very low196 Ų196133.5 Ų133.577%0.76974%0.741SS**  trans-75.689.3163.6-169.5-98000108.6P136 A140P136-Y138 PolarHBondContact O-N 2.82Å; P136-Y138 VanDerWaalsContact O-N 3.09Å; Y138-A140 HydrophobicContact CD1-CB 4.22Å; Y138-A140 HydrophobicContact CE1-CB 3.66Å
139S30.1Very low40.7Very low108 Ų108134.4 Ų134.476%0.75575%0.747SS**  trans-83.1110.9167.9-177.40000108.8E137E137-S139 VanDerWaalsContact C-N 3.31Å; E137-S139 PolarHBondContact O-N 3.24Å
140A32.4Very low40.8Very low57 Ų57132.5 Ų132.547%0.47175%0.746SS.*  trans-125.192.4165.700000107.5Y138Y138-A140 HydrophobicContact CD1-CB 4.22Å; Y138-A140 HydrophobicContact CE1-CB 3.66Å
141T30.5Very low40.6Very low114 Ų114135.9 Ų135.970%0.69976%0.764SS**  trans161108.8141.538.80000108
142Q33.5Very low40.6Very low186 Ų186139.2 Ų139.287%0.86979%0.79SS**  -178.5110.4116.3-96.1178.9-64.400108.7S144Q142-S144 PolarHBondContact O-N 3.3Å
143E32.8Very low39.8Very low192 Ų192142.2 Ų142.290%0.89779%0.787SS**  trans-51.1127.8154.2-74.3157.8115.100109.4
144S33.2Very low39Very low93 Ų93143.9 Ų143.965%0.6580%0.8SS**  trans169.7139.513737.50000109.2Q142Q142-S144 PolarHBondContact O-N 3.3Å
145E35.2Very low38.3Very low183 Ų183144.2 Ų144.286%0.85580%0.796SS**  trans70.2119.1163.8-72.9173.7131.400114.3
146V39.8Very low37.6Very low138 Ų138146.2 Ų146.284%0.83680%0.804SS**  -169.1129.758.7169.30000108.3
147L39.7Very low37.5Very low157 Ų157147.8 Ų147.882%0.82281%0.805SS**  trans-70.2-178.5162.1-71.7160.2000110.5
148P38.1Very low37.4Very low108 Ų108145.3 Ų145.370%0.70180%0.801SS**  -119.8154-80.334.4-17.4000110.2
149E43.9Very low37.3Very low189 Ų189141.7 Ų141.788%0.88380%0.803SS**  trans-163.7137.6155.3-123178.8-164.600114.5
150V43Very low37.9Very low117 Ų117144.3 Ų144.371%0.70981%0.807SS**  trans91.5123.2146.1-122.10000123.2
151I43.1Very low38.3Very low158 Ų158151.6 Ų151.681%0.8184%0.835SS**  trans84.397.4144.2-31176.4000120.6
152S47.1Very low39Very low184 Ų184155 Ų155100%1.28785%0.847SS**  -155.40106-1760000110.9

Retrieved 152 of 152 residues in 243 ms (Link to these results)

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