A0A3Q0KLX8_SCHMA Loading...

Serine/threonine-protein

PKC is activated by diacylglycerol which in turn phosphorylates a range of cellular proteins. PKC also serves as the receptor for phorbol esters, a class of tumor promoters.

AlphaFold DB , UniProt , Accession A0A3Q0KLX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 958 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
1M61.3Low85.9Confident140 Ų14040.6 Ų40.669%0.6921%0.209SC*.  0125.90-95.2172.8165.800103.6Y3 D134M1-Y3 HydrophobicContact CB-CE2 3.94Å; M1-Y3 WeakPolarHBondContact O-CD2 3.09Å; M1-Y3 WeakPolarHBondContact O-CE2 3.31Å; M1-Y3 PolarHBondContact O-N 3.23Å; M1-D134 VanDerWaalsContact C-OD1 3.25Å; M1-D134 PolarHBondContact N-OD1 3.46Å; M1-D134 WeakPolarHBondContact O-CA 3.18Å
2E75Confident86.7Confident49 Ų4937.3 Ų37.323%0.22919%0.191CC..  trans-76.8116.8-175.7-168.9173.1-143.800110.8R104 R132E2-R104 HydrophobicContact CB-CB 4.32Å; E2-R104 VanDerWaalsContact OE2-CA 3.3Å; E2-R104 WeakPolarHBondContact OE2-CA 3.13Å; E2-R104 VanDerWaalsContact OE2-CB 3.27Å; E2-R104 WeakPolarHBondContact OE2-CB 2.99Å; E2-R132 VanDerWaalsContact CD-CZ 3.46Å; E2-R132 HydrophobicContact CG-CB 4.2Å; E2-R132 HydrophobicContact CG-CG 4.33Å; E2-R132 WeakPolarHBondContact OE1-CD 3.26Å; E2-R132 IonicContact OE1-CZ 3.62Å; E2-R132 VanDerWaalsContact OE1-CZ 3.26Å; E2-R132 IonicContact OE1-NE 2.89Å; E2-R132 PolarHBondContact OE1-NE 2.83Å; E2-R132 IonicContact OE1-NH1 3.23Å; E2-R132 PolarHBondContact OE1-NH1 2.92Å; E2-R132 IonicContact OE2-CZ 3.68Å; E2-R132 VanDerWaalsContact OE2-CZ 3.23Å; E2-R132 IonicContact OE2-NE 3.77Å; E2-R132 IonicContact OE2-NH1 2.76Å; E2-R132 PolarHBondContact OE2-NH1 3.28Å; E2-R132 IonicContact OE2-NH2 2.74Å
3Y83.4Confident87.5Confident29 Ų2937.7 Ų37.711%0.11419%0.19CC..EExtended strand (participates in β ladder)trans-101.8144.9172-56.4-90000109.2M1 Y76 Q78 R132 T133 E135 P136M1-Y3 HydrophobicContact CB-CE2 3.94Å; M1-Y3 WeakPolarHBondContact O-CD2 3.09Å; M1-Y3 WeakPolarHBondContact O-CE2 3.31Å; M1-Y3 PolarHBondContact O-N 3.23Å; Y3-Y76 WeakPolarHBondContact CD1-O 3.49Å; Y3-Q78 HydrophobicContact CD1-CG 3.48Å; Y3-Q78 VanDerWaalsContact CD1-CG 3.48Å; Y3-Q78 HydrophobicContact CE1-CG 3.66Å; Y3-Q78 HydrophobicContact CG-CG 4.35Å; Y3-R132 CarbonylContact O-C 3.58Å; Y3-R132 WeakPolarHBondContact O-CA 3.3Å; Y3-T133 WeakPolarHBondContact CD2-O 3.27Å; Y3-T133 PolarHBondContact N-O 2.65Å; Y3-T133 PolarHBondContact O-N 3.01Å; Y3-E135 VanDerWaalsContact CD2-O 3.3Å; Y3-E135 WeakPolarHBondContact CD2-O 3.15Å; Y3-P136 HydrophobicContact CE2-CB 4.01Å
4F86.8Confident88.1Confident5 Ų538.1 Ų38.12%0.02219%0.191CC..EExtended strand (participates in β ladder)trans-118.7138.1174172.3-93.6000112.4I74 Y76 A77 L103 L128 T131 R132F4-I74 HydrophobicContact CD1-CD1 3.64Å; F4-I74 HydrophobicContact CD1-CG1 3.83Å; F4-I74 HydrophobicContact CE1-CD1 3.88Å; F4-I74 HydrophobicContact CE1-CG1 3.85Å; F4-Y76 CarbonylContact O-C 3.56Å; F4-Y76 WeakPolarHBondContact O-CA 3.27Å; F4-Y76 PolarHBondContact O-N 3.17Å; F4-A77 PolarHBondContact N-O 2.94Å; F4-A77 PolarHBondContact O-N 3.29Å; F4-L103 HydrophobicContact CB-CD2 3.71Å; F4-L103 HydrophobicContact CD1-CD2 3.95Å; F4-L103 HydrophobicContact CG-CD2 4.1Å; F4-L128 HydrophobicContact CD1-CD1 4.1Å; F4-L128 HydrophobicContact CD1-CD2 4.4Å; F4-L128 HydrophobicContact CD2-CD1 3.81Å; F4-L128 HydrophobicContact CE1-CB 4.43Å; F4-L128 HydrophobicContact CE1-CD1 4.19Å; F4-L128 HydrophobicContact CE1-CD2 3.93Å; F4-L128 HydrophobicContact CE1-CG 4.42Å; F4-L128 HydrophobicContact CE2-CB 3.79Å; F4-L128 HydrophobicContact CE2-CD1 3.9Å; F4-L128 HydrophobicContact CE2-CG 4.33Å; F4-L128 HydrophobicContact CG-CD1 3.91Å; F4-L128 HydrophobicContact CZ-CB 3.73Å; F4-L128 HydrophobicContact CZ-CD1 4.09Å; F4-L128 HydrophobicContact CZ-CD2 4.08Å; F4-L128 HydrophobicContact CZ-CG 4.18Å; F4-T131 WeakPolarHBondContact CA-O 3.38Å; F4-T131 VanDerWaalsContact CD2-O 3.26Å; F4-T131 WeakPolarHBondContact CD2-O 3.42Å; F4-R132 HydrophobicContact CD2-CG 3.98Å
5S87.4Confident88.7Confident20 Ų2035.6 Ų35.614%0.1418%0.178CC..EExtended strand (participates in β ladder)trans-130.4124.2174.2-63.70000111I74 Y76 G130 T131S5-I74 CarbonylContact C-O 3.47Å; S5-I74 WeakPolarHBondContact CA-O 3.34Å; S5-Y76 PolarHBondContact OG-N 3.14Å; S5-G130 CarbonylContact O-C 3.6Å; S5-G130 VanDerWaalsContact O-CA 3.24Å; S5-G130 WeakPolarHBondContact O-CA 3.1Å; S5-T131 PolarHBondContact N-O 2.86Å; S5-T131 PolarHBondContact O-N 3.06Å
6G89.4Confident89.1Confident19 Ų1934.8 Ų34.820%0.19618%0.178CC..EExtended strand (participates in β ladder)trans155.3-148.7-179.400000113.7R73 I74G6-R73 WeakPolarHBondContact O-CA 3.22Å; G6-I74 PolarHBondContact N-O 3.25Å; G6-I74 PolarHBondContact O-N 2.99Å
7T89.8Confident89.3Confident44 Ų4438.2 Ų38.227%0.2719%0.194SC..EExtended strand (participates in β ladder)trans-96.9129.8175.6-55.20000110.4A72 A129T7-A72 WeakPolarHBondContact CA-O 3.43Å; T7-A129 PolarHBondContact N-O 3.48Å; T7-A129 PolarHBondContact O-N 3.25Å
8L90.2Very high89.5Confident2 Ų236.2 Ų36.21%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-103.3120.2170.5168.468.8000108.1I10 V47 C71 A72 I74 L80 I126 L128L8-I10 HydrophobicContact CD1-CD1 3.79Å; L8-I10 HydrophobicContact CD1-CG1 3.66Å; L8-I10 HydrophobicContact CD2-CD1 3.81Å; L8-I10 HydrophobicContact CD2-CG1 4.39Å; L8-I10 HydrophobicContact CG-CD1 3.91Å; L8-I10 HydrophobicContact CG-CG1 3.93Å; L8-V47 HydrophobicContact CD2-CG2 3.96Å; L8-C71 WeakPolarHBondContact O-CA 3.47Å; L8-A72 PolarHBondContact N-O 3.14Å; L8-A72 PolarHBondContact O-N 3.09Å; L8-I74 HydrophobicContact CB-CD1 3.7Å; L8-I74 HydrophobicContact CB-CG1 4.22Å; L8-I74 HydrophobicContact CD2-CD1 4.02Å; L8-I74 HydrophobicContact CG-CD1 4.35Å; L8-L80 HydrophobicContact CD1-CD1 4.37Å; L8-L80 HydrophobicContact CD1-CD2 4.3Å; L8-L80 HydrophobicContact CD2-CD2 3.8Å; L8-I126 HydrophobicContact CD1-CG2 3.77Å; L8-L128 HydrophobicContact CB-CD2 4.11Å; L8-L128 HydrophobicContact CD1-CD2 3.38Å; L8-L128 HydrophobicContact CG-CD2 4.38Å
9N92.8Very high89.6Confident61 Ų6139.9 Ų39.933%0.32620%0.198SC..EExtended strand (participates in β ladder)trans-111.9133.9165.5-50.7-78.8000108.3I70 C71 I126 D127N9-I70 WeakPolarHBondContact CA-O 3.48Å; N9-C71 PolarHBondContact OD1-SG 3.08Å; N9-I126 WeakPolarHBondContact O-CA 3.44Å; N9-D127 HydrophobicContact CB-CB 4.29Å; N9-D127 PolarHBondContact N-O 2.71Å; N9-D127 PolarHBondContact ND2-O 2.73Å; N9-D127 PolarHBondContact O-N 3.2Å
10I93.7Very high89.5Confident3 Ų339.5 Ų39.52%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-131.1127.6176.9-61.1172.1000108.4L8 I12 I45 D69 I70 L80 F82 R125 I126L8-I10 HydrophobicContact CD1-CD1 3.79Å; L8-I10 HydrophobicContact CD1-CG1 3.66Å; L8-I10 HydrophobicContact CD2-CD1 3.81Å; L8-I10 HydrophobicContact CD2-CG1 4.39Å; L8-I10 HydrophobicContact CG-CD1 3.91Å; L8-I10 HydrophobicContact CG-CG1 3.93Å; I10-I12 HydrophobicContact CG2-CG1 4.34Å; I10-I45 HydrophobicContact CB-CD1 4.07Å; I10-I45 HydrophobicContact CD1-CD1 3.7Å; I10-I45 HydrophobicContact CD1-CG2 3.78Å; I10-I45 HydrophobicContact CG1-CD1 4.48Å; I10-I45 HydrophobicContact CG2-CD1 3.94Å; I10-D69 CarbonylContact O-C 3.5Å; I10-D69 WeakPolarHBondContact O-CA 3.29Å; I10-I70 PolarHBondContact N-O 3.05Å; I10-I70 PolarHBondContact O-N 3.36Å; I10-L80 HydrophobicContact CD1-CD1 4.27Å; I10-F82 HydrophobicContact CD1-CE1 4.07Å; I10-F82 HydrophobicContact CD1-CZ 3.86Å; I10-F82 HydrophobicContact CG2-CE1 3.99Å; I10-F82 HydrophobicContact CG2-CZ 4.28Å; I10-R125 WeakPolarHBondContact CA-O 3.36Å; I10-I126 HydrophobicContact CG1-CG1 4.28Å; I10-I126 HydrophobicContact CG1-CG2 4.32Å
11R95.4Very high89.4Confident75 Ų7537.8 Ų37.828%0.28319%0.19SC..EExtended strand (participates in β ladder)trans-101.9119.5169.9-173169.8-173.189.29.9109.3Y13 D69 I124 R125R11-Y13 HydrophobicContact CB-CE2 4.21Å; R11-Y13 VanDerWaalsContact CD-CZ 3.49Å; R11-Y13 WeakPolarHBondContact CD-OH 3.34Å; R11-Y13 HydrophobicContact CG-CD2 4.19Å; R11-Y13 HydrophobicContact CG-CE2 3.85Å; R11-D69 WeakPolarHBondContact CB-OD1 3.49Å; R11-D69 WeakPolarHBondContact CD-OD1 3.44Å; R11-D69 VanDerWaalsContact CG-OD1 3.24Å; R11-D69 WeakPolarHBondContact CG-OD1 3.21Å; R11-D69 IonicContact CZ-OD1 3.26Å; R11-D69 IonicContact CZ-OD2 3.86Å; R11-D69 IonicContact NE-OD1 2.71Å; R11-D69 IonicContact NH1-OD1 3.92Å; R11-D69 PolarHBondContact NH1-OD1 2.87Å; R11-D69 IonicContact NH1-OD2 3.62Å; R11-D69 PolarHBondContact NH1-OD2 3.3Å; R11-I124 CarbonylContact O-C 3.59Å; R11-I124 WeakPolarHBondContact O-CA 3.43Å; R11-I124 WeakPolarHBondContact O-CB 3.47Å; R11-R125 HydrophobicContact CB-CB 4.22Å; R11-R125 PolarHBondContact N-O 3.35Å; R11-R125 PolarHBondContact O-N 3.24Å
12I95Very high90.5Very high0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans-95.1112.6172.6-50.6178000107.9I10 V43 I45 W66 N67 E68 I70 L122I10-I12 HydrophobicContact CG2-CG1 4.34Å; I12-V43 HydrophobicContact CD1-CB 4.1Å; I12-V43 HydrophobicContact CD1-CG1 4.35Å; I12-V43 HydrophobicContact CG2-CG2 4.46Å; I12-I45 HydrophobicContact CD1-CD1 4.16Å; I12-I45 HydrophobicContact CD1-CG1 4.47Å; I12-W66 HydrophobicContact CB-CB 4.44Å; I12-W66 HydrophobicContact CG2-CB 4.21Å; I12-W66 HydrophobicContact CG2-CD2 4.07Å; I12-W66 HydrophobicContact CG2-CE3 3.52Å; I12-W66 HydrophobicContact CG2-CG 4.36Å; I12-W66 HydrophobicContact CG2-CZ3 4.15Å; I12-N67 CarbonylContact O-C 3.5Å; I12-N67 WeakPolarHBondContact O-CA 3.45Å; I12-N67 PolarHBondContact O-N 3.19Å; I12-E68 PolarHBondContact N-O 2.91Å; I12-E68 PolarHBondContact O-N 3.45Å; I12-I70 HydrophobicContact CD1-CD1 3.98Å; I12-L122 HydrophobicContact CG2-CD1 4.08Å
13Y96.9Very high90.9Very high43 Ų4330.4 Ų30.417%0.16916%0.159CC..EExtended strand (participates in β ladder)trans-83.9-68.2177.3-69.1-94000110.7R11 W66 N67 D111 L123 R125R11-Y13 HydrophobicContact CB-CE2 4.21Å; R11-Y13 VanDerWaalsContact CD-CZ 3.49Å; R11-Y13 WeakPolarHBondContact CD-OH 3.34Å; R11-Y13 HydrophobicContact CG-CD2 4.19Å; R11-Y13 HydrophobicContact CG-CE2 3.85Å; Y13-W66 PolarHBondContact O-N 3.29Å; Y13-N67 PolarHBondContact O-N 3.44Å; Y13-N67 VanDerWaalsContact O-N 3.07Å; Y13-D111 WeakPolarHBondContact CE2-OD1 3.48Å; Y13-D111 PolarHBondContact OH-OD1 2.84Å; Y13-L123 HydrophobicContact CD2-CG 4.09Å; Y13-L123 HydrophobicContact CG-CD2 4.25Å; Y13-L123 HydrophobicContact CG-CG 4.18Å; Y13-L123 PolarHBondContact N-O 2.84Å; Y13-R125 HydrophobicContact CE2-CB 4.09Å; Y13-R125 PolarHBondContact OH-NH2 3.03Å
14E96.9Very high90.8Very high44 Ų4429.8 Ų29.821%0.20616%0.16CC..EExtended strand (participates in β ladder)trans-157.2165.1-172.662177.9-167.100112P64 Q65 W113 L123E14-P64 CarbonylContact C-O 3.41Å; E14-P64 WeakPolarHBondContact CA-O 3.23Å; E14-P64 VanDerWaalsContact CB-O 3.26Å; E14-P64 WeakPolarHBondContact CB-O 3.49Å; E14-Q65 HydrophobicContact CB-CB 4.4Å; E14-Q65 HydrophobicContact CB-CG 3.91Å; E14-Q65 PolarHBondContact OE2-NE2 3.41Å; E14-W113 HydrophobicContact CG-CH2 3.89Å; E14-W113 WeakPolarHBondContact OE1-CH2 3.28Å; E14-L123 HydrophobicContact CG-CB 4.02Å; E14-L123 HydrophobicContact CG-CD2 4.15Å; E14-L123 PolarHBondContact O-N 3.05Å
15A96.7Very high90.5Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-120.1153.2162.500000111L18 I63 P64 W66 K121 L122A15-L18 HydrophobicContact CB-CD1 3.89Å; A15-L18 HydrophobicContact CB-CD2 4.19Å; A15-L18 HydrophobicContact CB-CG 4.03Å; A15-I63 CarbonylContact O-C 3.58Å; A15-I63 VanDerWaalsContact O-CA 3.28Å; A15-I63 WeakPolarHBondContact O-CA 3.46Å; A15-I63 WeakPolarHBondContact O-CG2 3.36Å; A15-P64 HydrophobicContact CB-CG 3.89Å; A15-P64 PolarHBondContact N-O 3.39Å; A15-P64 WeakPolarHBondContact O-CD 3.41Å; A15-W66 HydrophobicContact CB-CH2 3.9Å; A15-W66 HydrophobicContact CB-CZ3 3.63Å; A15-K121 CarbonylContact C-O 3.56Å; A15-K121 WeakPolarHBondContact CA-O 3.4Å; A15-K121 VanDerWaalsContact CB-O 3.24Å; A15-K121 WeakPolarHBondContact CB-O 3.23Å; A15-L122 HydrophobicContact CB-CD1 3.93Å
16A95Very high89.8Confident22 Ų2235 Ų3518%0.18218%0.183CC..EExtended strand (participates in β ladder)trans-128.8162.6177.200000110.9L18 W113 G120 K121A16-L18 PolarHBondContact O-N 2.7Å; A16-W113 HydrophobicContact CB-CH2 4.09Å; A16-W113 HydrophobicContact CB-CZ3 4.06Å; A16-G120 CarbonylContact O-C 3.49Å; A16-G120 WeakPolarHBondContact O-CA 3.11Å; A16-K121 PolarHBondContact N-O 3.1Å; A16-K121 PolarHBondContact O-N 3.47Å
17E92.1Very high88.8Confident94 Ų9440.7 Ų40.744%0.43920%0.204SC..SBendtrans59.59.7174.3-72.4-164.7-121.400117Q119 K121E17-Q119 HydrophobicContact CB-CG 4.41Å; E17-Q119 PolarHBondContact O-NE2 3.38Å; E17-Q119 VanDerWaalsContact O-NE2 3.16Å; E17-Q119 PolarHBondContact OE2-NE2 2.74Å; E17-K121 WeakPolarHBondContact OE1-CE 3.26Å
18L93.5Very high87.6Confident2 Ų239.9 Ų39.91%0.0120%0.202CC..  trans-57.7144.4-179.2-61.9-179.8000111.3A15 A16 L39 P41 N62 P64 V84 V96 L116A15-L18 HydrophobicContact CB-CD1 3.89Å; A15-L18 HydrophobicContact CB-CD2 4.19Å; A15-L18 HydrophobicContact CB-CG 4.03Å; A16-L18 PolarHBondContact O-N 2.7Å; L18-L39 HydrophobicContact CB-CD1 3.99Å; L18-P41 HydrophobicContact CD1-CB 3.97Å; L18-P41 HydrophobicContact CD1-CG 4.3Å; L18-N62 WeakPolarHBondContact CB-O 3.41Å; L18-N62 PolarHBondContact N-O 3.35Å; L18-N62 WeakPolarHBondContact O-CB 3.24Å; L18-P64 HydrophobicContact CD1-CG 3.81Å; L18-V84 HydrophobicContact CD1-CG1 3.98Å; L18-V84 HydrophobicContact CD2-CG1 4.25Å; L18-V84 HydrophobicContact CD2-CG2 4.41Å; L18-V96 HydrophobicContact CB-CG1 4.33Å; L18-V96 HydrophobicContact CD2-CG1 4.18Å; L18-L116 HydrophobicContact CD2-CD1 3.75Å
19K90.8Very high86.1Confident106 Ų10645.6 Ų45.646%0.46124%0.237SC..  trans-144.1146.8174.6-69.5-178.1-172.41500111.9
20P88.1Confident84.6Confident31 Ų3145.1 Ų45.120%0.20125%0.246CC..  trans-51.4141.2165.1-19.225.5000111.9T25 Y36 L39P20-T25 HydrophobicContact CB-CG2 3.65Å; P20-T25 HydrophobicContact CG-CG2 4.46Å; P20-Y36 WeakPolarHBondContact CG-O 3.44Å; P20-L39 HydrophobicContact CB-CD2 4.15Å; P20-L39 HydrophobicContact CG-CD2 3.82Å; P20-L39 HydrophobicContact CG-CG 4.24Å
21T87.8Confident82.6Confident5 Ų551 Ų513%0.03128%0.284CS..  trans-78.1164.7178.657.30000112.4C23 A24 T25 F95 V96 Q204T21-C23 PolarHBondContact O-N 3.14Å; T21-A24 PolarHBondContact O-N 3.19Å; T21-T25 PolarHBondContact O-N 3.31Å; T21-T25 VanDerWaalsContact O-N 3.08Å; T21-T25 PolarHBondContact O-OG1 2.88Å; T21-F95 HydrophobicContact CG2-CD1 4.01Å; T21-F95 HydrophobicContact CG2-CE1 4.38Å; T21-F95 WeakPolarHBondContact CG2-O 3.32Å; T21-F95 PolarHBondContact OG1-O 2.91Å; T21-V96 VanDerWaalsContact CG2-O 3.26Å; T21-V96 WeakPolarHBondContact CG2-O 3.42Å; T21-Q204 WeakPolarHBondContact CB-O 3.41Å
22A83.4Confident80.7Confident31 Ų3149.5 Ų49.526%0.25629%0.288SS..THydrogen-bonded Turntrans-65.5-18.2176.900000112.8R26 V205 T207A22-R26 WeakPolarHBondContact O-CB 3.46Å; A22-R26 PolarHBondContact O-N 2.76Å; A22-V205 WeakPolarHBondContact CB-O 3.43Å; A22-T207 HydrophobicContact CB-CG2 4.46Å; A22-T207 WeakPolarHBondContact O-CG2 3.41Å
23C83.3Confident79.1Confident2 Ų251.2 Ų51.21%0.01430%0.302CS..THydrogen-bonded Turntrans-79.1-51.7171.6-166.40000112.1T21 T25 R26 Q202 Q204 T207T21-C23 PolarHBondContact O-N 3.14Å; C23-T25 VanDerWaalsContact C-N 3.29Å; C23-T25 PolarHBondContact O-N 2.83Å; C23-R26 VanDerWaalsContact O-CB 3.23Å; C23-R26 WeakPolarHBondContact O-CB 3.34Å; C23-R26 WeakPolarHBondContact O-CD 3.5Å; C23-R26 WeakPolarHBondContact O-CG 3.5Å; C23-R26 PolarHBondContact O-N 3.47Å; C23-R26 VanDerWaalsContact O-N 3.07Å; C23-R26 PolarHBondContact O-NH1 3.05Å; C23-R26 PolarHBondContact SG-NH1 2.94Å; C23-R26 VanDerWaalsContact SG-NH1 3.43Å; C23-Q202 PolarHBondContact SG-OE1 3.14Å; C23-Q204 HydrophobicContact CB-CB 4.34Å; C23-Q204 VanDerWaalsContact CB-O 3.26Å; C23-Q204 WeakPolarHBondContact CB-O 3.43Å; C23-Q204 PolarHBondContact N-O 3.41Å; C23-Q204 VanDerWaalsContact N-O 3.16Å; C23-Q204 PolarHBondContact SG-OE1 3.38Å; C23-T207 HydrophobicContact CB-CG2 4.07Å
24A82.3Confident77.5Confident16 Ų1656.2 Ų56.213%0.13233%0.325CS..G310 helixtrans-52.7-47.9175.500000111.5T21 R26 D94T21-A24 PolarHBondContact O-N 3.19Å; A24-R26 VanDerWaalsContact C-N 3.29Å; A24-R26 PolarHBondContact O-N 3.14Å; A24-D94 VanDerWaalsContact CB-OD2 3.23Å; A24-D94 WeakPolarHBondContact CB-OD2 3.33Å
25T80.3Confident75.9Confident53 Ų5359.2 Ų59.233%0.32534%0.342SS..G310 helixtrans-77.8-0.4-178.953.30000115.3P20 T21 C23 H27 A28P20-T25 HydrophobicContact CB-CG2 3.65Å; P20-T25 HydrophobicContact CG-CG2 4.46Å; T21-T25 PolarHBondContact O-N 3.31Å; T21-T25 VanDerWaalsContact O-N 3.08Å; T21-T25 PolarHBondContact O-OG1 2.88Å; C23-T25 VanDerWaalsContact C-N 3.29Å; C23-T25 PolarHBondContact O-N 2.83Å; T25-H27 PolarHBondContact O-N 3.36Å; T25-H27 VanDerWaalsContact O-N 3.08Å; T25-A28 WeakPolarHBondContact O-CB 2.94Å; T25-A28 PolarHBondContact O-N 3.33Å; T25-A28 VanDerWaalsContact O-N 3.08Å
26R72Confident74.4Confident83 Ų8364.6 Ų64.631%0.31336%0.363SS..G310 helixtrans-62.3-23.7-169.177.4-164.8175.1-92.45.8115.1A22 C23 A24 R286A22-R26 WeakPolarHBondContact O-CB 3.46Å; A22-R26 PolarHBondContact O-N 2.76Å; C23-R26 VanDerWaalsContact O-CB 3.23Å; C23-R26 WeakPolarHBondContact O-CB 3.34Å; C23-R26 WeakPolarHBondContact O-CD 3.5Å; C23-R26 WeakPolarHBondContact O-CG 3.5Å; C23-R26 PolarHBondContact O-N 3.47Å; C23-R26 VanDerWaalsContact O-N 3.07Å; C23-R26 PolarHBondContact O-NH1 3.05Å; C23-R26 PolarHBondContact SG-NH1 2.94Å; C23-R26 VanDerWaalsContact SG-NH1 3.43Å; A24-R26 VanDerWaalsContact C-N 3.29Å; A24-R26 PolarHBondContact O-N 3.14Å; R26-R286 PolarHBondContact O-NH1 2.85Å
27H69.8Low73.6Confident137 Ų13769 Ų6963%0.63438%0.379SS*.G310 helixtrans-109.3-1.6-180-63.6-70.6000113.3T25 V29T25-H27 PolarHBondContact O-N 3.36Å; T25-H27 VanDerWaalsContact O-N 3.08Å; H27-V29 PolarHBondContact O-N 3.23Å; H27-V29 VanDerWaalsContact O-N 3.14Å
28A63.8Low73.5Confident28 Ų2867.8 Ų67.823%0.23138%0.376CS..  trans-73.8104.1-176.600000111.1T25 A33 Y36T25-A28 WeakPolarHBondContact O-CB 2.94Å; T25-A28 PolarHBondContact O-N 3.33Å; T25-A28 VanDerWaalsContact O-N 3.08Å; A28-A33 HydrophobicContact CB-CB 4.17Å; A28-Y36 HydrophobicContact CB-CD2 3.71Å; A28-Y36 HydrophobicContact CB-CE2 4.17Å; A28-Y36 HydrophobicContact CB-CG 4.28Å
29V59Low73.4Confident122 Ų12267.9 Ų67.974%0.73938%0.376SS*.  trans-125.1142.7-177.2-1770000110.8H27H27-V29 PolarHBondContact O-N 3.23Å; H27-V29 VanDerWaalsContact O-N 3.14Å
30G60.8Low73.5Confident51 Ų5164.8 Ų64.853%0.52637%0.365SS..G310 helixtrans69.6-155.3176.600000113.4A32 A33G30-A32 PolarHBondContact O-N 2.83Å; G30-A32 VanDerWaalsContact O-N 3.17Å; G30-A33 WeakPolarHBondContact O-CB 3.39Å; G30-A33 PolarHBondContact O-N 2.91Å; G30-A33 VanDerWaalsContact O-N 3.07Å
31P51.8Low73.8Confident125 Ų12563.3 Ų63.381%0.81236%0.355SS*.G310 helixtrans-58.1-29.4-177-25.835.4000114.2A33 K34P31-A33 PolarHBondContact O-N 3.17Å; P31-K34 PolarHBondContact O-N 2.89Å
32A55.6Low74.1Confident45 Ų4563.3 Ų63.337%0.37236%0.355SS..G310 helixtrans-60.8-22.3177.500000113.2G30 K34 L35 Y36G30-A32 PolarHBondContact O-N 2.83Å; G30-A32 VanDerWaalsContact O-N 3.17Å; A32-K34 PolarHBondContact O-N 3.28Å; A32-K34 VanDerWaalsContact O-N 3.14Å; A32-L35 WeakPolarHBondContact O-CB 3.42Å; A32-L35 PolarHBondContact O-N 3.25Å; A32-Y36 WeakPolarHBondContact O-CD2 3.44Å
33A61.8Low74.7Confident35 Ų3561.9 Ų61.929%0.28934%0.343SS..G310 helixtrans-57.9-28.5176.700000113.4A28 G30 P31 L35 Y36A28-A33 HydrophobicContact CB-CB 4.17Å; G30-A33 WeakPolarHBondContact O-CB 3.39Å; G30-A33 PolarHBondContact O-N 2.91Å; G30-A33 VanDerWaalsContact O-N 3.07Å; P31-A33 PolarHBondContact O-N 3.17Å; A33-L35 VanDerWaalsContact C-N 3.29Å; A33-L35 PolarHBondContact O-N 2.86Å; A33-Y36 PolarHBondContact O-N 3.23Å
34K62.8Low75.2Confident149 Ų14962.2 Ų62.265%0.64834%0.344SS*.G310 helixtrans-70.1-20.4174.7-68.1-167.7170.1-167.80114.6P31 A32 Y36 E37P31-K34 PolarHBondContact O-N 2.89Å; A32-K34 PolarHBondContact O-N 3.28Å; A32-K34 VanDerWaalsContact O-N 3.14Å; K34-Y36 VanDerWaalsContact C-N 3.33Å; K34-E37 PolarHBondContact O-N 2.87Å
35L62.8Low75.7Confident107 Ų10761.4 Ų61.456%0.5634%0.338SS*.G310 helixtrans-70.4-36.9174.6-64.6171.3000110.5A32 A33 E37A32-L35 WeakPolarHBondContact O-CB 3.42Å; A32-L35 PolarHBondContact O-N 3.25Å; A33-L35 VanDerWaalsContact C-N 3.29Å; A33-L35 PolarHBondContact O-N 2.86Å; L35-E37 VanDerWaalsContact C-N 3.29Å; L35-E37 PolarHBondContact O-N 3.3Å
36Y65.5Low76.2Confident112 Ų11259.5 Ų59.544%0.43933%0.326SS..G310 helixtrans-79-0.6176.2-61.4-82.2000114P20 A28 A32 A33 K34 L38P20-Y36 WeakPolarHBondContact CG-O 3.44Å; A28-Y36 HydrophobicContact CB-CD2 3.71Å; A28-Y36 HydrophobicContact CB-CE2 4.17Å; A28-Y36 HydrophobicContact CB-CG 4.28Å; A32-Y36 WeakPolarHBondContact O-CD2 3.44Å; A33-Y36 PolarHBondContact O-N 3.23Å; K34-Y36 VanDerWaalsContact C-N 3.33Å; Y36-L38 VanDerWaalsContact C-N 3.3Å; Y36-L38 PolarHBondContact O-N 3.16Å
37E79.2Confident77Confident114 Ų11456 Ų5653%0.53331%0.313SS..G310 helixtrans-74.6-18.8178.6-77.5176.4177.300113.3K34 L35 N62K34-E37 PolarHBondContact O-N 2.87Å; L35-E37 VanDerWaalsContact C-N 3.29Å; L35-E37 PolarHBondContact O-N 3.3Å; E37-N62 PolarHBondContact O-ND2 2.95Å
38L88.6Confident77.7Confident70 Ų7052 Ų5237%0.36630%0.297SS..SBendtrans-117.8132.5178.8-67172.2000109.9Y36 R60Y36-L38 VanDerWaalsContact C-N 3.3Å; Y36-L38 PolarHBondContact O-N 3.16Å; L38-R60 HydrophobicContact CB-CB 4.42Å; L38-R60 HydrophobicContact CD1-CB 4.41Å
39L91.2Very high78.4Confident4 Ų454.9 Ų54.92%0.02131%0.309CS..  trans-90.8160.5178.6-60.6167.5000111.3L18 P20 P41 R60 T61 N62 H86 V96L18-L39 HydrophobicContact CB-CD1 3.99Å; P20-L39 HydrophobicContact CB-CD2 4.15Å; P20-L39 HydrophobicContact CG-CD2 3.82Å; P20-L39 HydrophobicContact CG-CG 4.24Å; L39-P41 WeakPolarHBondContact O-CD 3.24Å; L39-R60 CarbonylContact O-C 3.52Å; L39-R60 WeakPolarHBondContact O-CA 3.43Å; L39-R60 PolarHBondContact O-N 3.01Å; L39-R60 VanDerWaalsContact O-N 3.09Å; L39-T61 PolarHBondContact O-N 2.87Å; L39-N62 PolarHBondContact N-OD1 2.69Å; L39-N62 VanDerWaalsContact N-OD1 3.1Å; L39-H86 HydrophobicContact CD2-CB 4.09Å; L39-V96 HydrophobicContact CD1-CB 4.46Å; L39-V96 HydrophobicContact CD1-CG1 3.67Å; L39-V96 HydrophobicContact CD1-CG2 3.86Å; L39-V96 HydrophobicContact CD2-CG2 3.99Å; L39-V96 HydrophobicContact CG-CG2 4.49Å
40D92.6Very high79.4Confident40 Ų4054.4 Ų54.421%0.21430%0.302CS..  trans-10574.5160.3-62.4-68.5000109.3T57 K58 S59 R60 H86 D87D40-T57 HydrophobicContact CB-CG2 4.11Å; D40-T57 WeakPolarHBondContact O-CG2 3.32Å; D40-K58 CarbonylContact C-O 3.49Å; D40-K58 WeakPolarHBondContact CA-O 3.33Å; D40-S59 WeakPolarHBondContact OD1-CA 3.47Å; D40-S59 WeakPolarHBondContact OD1-CB 3.48Å; D40-R60 PolarHBondContact OD1-N 2.92Å; D40-H86 PolarHBondContact N-ND1 3.34Å; D40-H86 IonicContact OD2-CE1 2.84Å; D40-H86 PolarHBondContact OD2-CE1 2.85Å; D40-H86 VanDerWaalsContact OD2-CE1 3.31Å; D40-H86 IonicContact OD2-ND1 3.75Å; D40-D87 HydrophobicContact CB-CB 4.28Å; D40-D87 PolarHBondContact O-N 3.06Å
41P95Very high80.6Confident0 Ų055.6 Ų55.60%031%0.307CS..EExtended strand (participates in β ladder)trans-76.6144.4-167.330-40.4000115.6L18 L39 K58 T61 P64 W66 V84 Y85L18-P41 HydrophobicContact CD1-CB 3.97Å; L18-P41 HydrophobicContact CD1-CG 4.3Å; L39-P41 WeakPolarHBondContact O-CD 3.24Å; P41-K58 WeakPolarHBondContact CD-O 3.45Å; P41-K58 PolarHBondContact O-N 3.17Å; P41-T61 WeakPolarHBondContact CD-O 3.41Å; P41-T61 HydrophobicContact CG-CG2 4.09Å; P41-T61 VanDerWaalsContact CG-O 3.29Å; P41-T61 WeakPolarHBondContact CG-O 3.34Å; P41-P64 HydrophobicContact CB-CG 4.15Å; P41-P64 HydrophobicContact CG-CB 3.68Å; P41-P64 HydrophobicContact CG-CG 3.6Å; P41-W66 HydrophobicContact CB-CZ2 4.33Å; P41-V84 HydrophobicContact CB-CG1 4.14Å; P41-Y85 CarbonylContact C-O 3.54Å; P41-Y85 VanDerWaalsContact CA-O 3.23Å; P41-Y85 WeakPolarHBondContact CA-O 3.34Å
42Y95.1Very high82.3Confident6 Ų651.7 Ų51.72%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-138.3161.8161.574.7-97.8000111T44 K54 V84 Y85 D87 D93Y42-T44 HydrophobicContact CD2-CG2 4.23Å; Y42-T44 HydrophobicContact CE2-CG2 3.59Å; Y42-K54 HydrophobicContact CD2-CD 3.52Å; Y42-K54 HydrophobicContact CD2-CG 3.78Å; Y42-K54 HydrophobicContact CE2-CD 3.47Å; Y42-K54 VanDerWaalsContact CE2-CD 3.47Å; Y42-K54 HydrophobicContact CE2-CG 4.11Å; Y42-K54 HydrophobicContact CG-CD 4.23Å; Y42-K54 VanDerWaalsContact CG-CE 3.46Å; Y42-V84 WeakPolarHBondContact O-CA 3.4Å; Y42-Y85 HydrophobicContact CE2-CD2 4.1Å; Y42-Y85 HydrophobicContact CE2-CG 4.42Å; Y42-Y85 PolarHBondContact N-O 3Å; Y42-Y85 PolarHBondContact O-N 2.83Å; Y42-D87 HydrophobicContact CD1-CB 4Å; Y42-D87 HydrophobicContact CE1-CB 4.22Å; Y42-D93 HydrophobicContact CE1-CB 4.39Å; Y42-D93 WeakPolarHBondContact CE1-OD2 3.1Å; Y42-D93 PolarHBondContact OH-OD2 3.44Å
43V94.8Very high83.9Confident0 Ų050.6 Ų50.60%027%0.274CS..EExtended strand (participates in β ladder)trans-112.3136.6177.7-167.40000110.4I12 K54 S55 W66 F82 T83 V84 L122I12-V43 HydrophobicContact CD1-CB 4.1Å; I12-V43 HydrophobicContact CD1-CG1 4.35Å; I12-V43 HydrophobicContact CG2-CG2 4.46Å; V43-K54 CarbonylContact O-C 3.35Å; V43-K54 VanDerWaalsContact O-CA 3.29Å; V43-K54 WeakPolarHBondContact O-CA 3.05Å; V43-S55 PolarHBondContact N-OG 3.21Å; V43-S55 PolarHBondContact O-N 3.31Å; V43-W66 HydrophobicContact CG2-CD2 4.41Å; V43-W66 HydrophobicContact CG2-CE3 4.23Å; V43-W66 HydrophobicContact CG2-CH2 3.31Å; V43-W66 HydrophobicContact CG2-CZ2 3.59Å; V43-W66 HydrophobicContact CG2-CZ3 3.67Å; V43-F82 HydrophobicContact CG1-CB 4.48Å; V43-F82 HydrophobicContact CG1-CD1 4.44Å; V43-T83 CarbonylContact C-O 3.55Å; V43-T83 WeakPolarHBondContact CA-O 3.34Å; V43-V84 HydrophobicContact CG2-CG2 4.39Å; V43-L122 HydrophobicContact CG1-CD2 4.24Å; V43-L122 HydrophobicContact CG2-CD1 4.01Å
44T94Very high85.3Confident9 Ų953.5 Ų53.56%0.05528%0.28CS..EExtended strand (participates in β ladder)trans-102.7144.3161.861.70000110.7Y42 G53 F82 T83 Y85 R164Y42-T44 HydrophobicContact CD2-CG2 4.23Å; Y42-T44 HydrophobicContact CE2-CG2 3.59Å; T44-G53 WeakPolarHBondContact CA-O 3.19Å; T44-F82 WeakPolarHBondContact O-CA 3.4Å; T44-T83 PolarHBondContact N-O 2.8Å; T44-T83 PolarHBondContact O-N 2.81Å; T44-T83 PolarHBondContact OG1-O 2.92Å; T44-Y85 HydrophobicContact CG2-CD2 4.19Å; T44-Y85 HydrophobicContact CG2-CE2 4.25Å; T44-R164 PolarHBondContact OG1-NH1 3.44Å; T44-R164 PolarHBondContact OG1-NH2 2.67Å
45I93.1Very high86.8Confident0 Ų046.6 Ų46.60%025%0.25CC..EExtended strand (participates in β ladder)trans-113.6124169.9-47.2-177.5000108.1I10 I12 V52 G53 I70 F82I10-I45 HydrophobicContact CB-CD1 4.07Å; I10-I45 HydrophobicContact CD1-CD1 3.7Å; I10-I45 HydrophobicContact CD1-CG2 3.78Å; I10-I45 HydrophobicContact CG1-CD1 4.48Å; I10-I45 HydrophobicContact CG2-CD1 3.94Å; I12-I45 HydrophobicContact CD1-CD1 4.16Å; I12-I45 HydrophobicContact CD1-CG1 4.47Å; I45-V52 HydrophobicContact CB-CG2 3.93Å; I45-V52 HydrophobicContact CG2-CG2 3.69Å; I45-V52 WeakPolarHBondContact O-CG2 3.4Å; I45-V52 PolarHBondContact O-N 3.37Å; I45-G53 PolarHBondContact N-O 2.8Å; I45-G53 PolarHBondContact O-N 3.16Å; I45-I70 HydrophobicContact CD1-CB 4.23Å; I45-I70 HydrophobicContact CD1-CD1 3.72Å; I45-I70 HydrophobicContact CD1-CG2 4.21Å; I45-I70 HydrophobicContact CG1-CD1 4.31Å; I45-F82 HydrophobicContact CD1-CD1 4.38Å; I45-F82 HydrophobicContact CD1-CE1 3.88Å; I45-F82 HydrophobicContact CG1-CD1 3.95Å; I45-F82 HydrophobicContact CG1-CE1 3.93Å; I45-F82 HydrophobicContact CG2-CD1 4.43Å; I45-F82 HydrophobicContact CG2-CE1 4.13Å
46D90.9Very high88.2Confident12 Ų1243.9 Ų43.96%0.06424%0.24CC..EExtended strand (participates in β ladder)trans-118.7148173.7-41.8-69.9000109.7N50 A51 T81 R164D46-N50 CarbonylContact C-O 3.55Å; D46-N50 VanDerWaalsContact CA-O 3.28Å; D46-N50 WeakPolarHBondContact CA-O 3.44Å; D46-A51 WeakPolarHBondContact OD1-CA 3.25Å; D46-A51 WeakPolarHBondContact OD1-CB 3.39Å; D46-T81 PolarHBondContact N-O 3.29Å; D46-T81 PolarHBondContact O-N 3.43Å; D46-R164 IonicContact OD1-CZ 3.81Å; D46-R164 IonicContact OD1-NH1 2.77Å; D46-R164 PolarHBondContact OD1-NH1 3.13Å; D46-R164 IonicContact OD1-NH2 3.2Å; D46-R164 IonicContact OD2-CZ 2.76Å; D46-R164 IonicContact OD2-NH1 3.65Å; D46-R164 PolarHBondContact OD2-NH1 3.44Å; D46-R164 IonicContact OD2-NH2 2.75Å; D46-R164 PolarHBondContact OD2-NH2 3.31Å
47V88.6Confident89.6Confident9 Ų940.7 Ų40.76%0.05523%0.232CC..EExtended strand (participates in β ladder)trans-126.4116.3178-177.10000108.3L8 D49 N50 V52 I74 A77 Q79 L80L8-V47 HydrophobicContact CD2-CG2 3.96Å; V47-D49 VanDerWaalsContact C-N 3.29Å; V47-D49 PolarHBondContact O-N 3.19Å; V47-N50 PolarHBondContact N-O 2.87Å; V47-N50 WeakPolarHBondContact O-CB 3.26Å; V47-N50 PolarHBondContact O-N 3.4Å; V47-N50 PolarHBondContact O-ND2 3.08Å; V47-V52 HydrophobicContact CB-CG1 4.01Å; V47-V52 HydrophobicContact CG2-CB 4.29Å; V47-V52 HydrophobicContact CG2-CG1 3.61Å; V47-V52 HydrophobicContact CG2-CG2 3.66Å; V47-I74 HydrophobicContact CB-CG2 4.49Å; V47-I74 HydrophobicContact CG1-CD1 4.42Å; V47-I74 HydrophobicContact CG1-CG2 4.22Å; V47-I74 HydrophobicContact CG2-CG2 4.3Å; V47-A77 HydrophobicContact CG1-CB 3.48Å; V47-A77 VanDerWaalsContact CG1-CB 3.48Å; V47-Q79 WeakPolarHBondContact CA-O 3.13Å; V47-L80 HydrophobicContact CG2-CD2 3.74Å
48D84.6Confident90.3Very high54 Ų5437.5 Ų37.529%0.28922%0.217SC..THydrogen-bonded Turntrans43.355.4-172.2-63-18.8000111.9N50 A77 Q78 Q79D48-N50 PolarHBondContact O-N 3.47Å; D48-N50 PolarHBondContact O-ND2 3.43Å; D48-A77 VanDerWaalsContact OD2-CA 3.3Å; D48-A77 WeakPolarHBondContact OD2-CA 3.33Å; D48-Q78 PolarHBondContact OD1-N 2.7Å; D48-Q78 PolarHBondContact OD2-N 3.45Å; D48-Q79 PolarHBondContact N-O 2.98Å; D48-Q79 PolarHBondContact OD1-N 3.3Å
49D79.1Confident90.4Very high89 Ų8938.7 Ų38.748%0.47623%0.231SC..THydrogen-bonded Turntrans65.53.9-175.6-78.8-11.8000117.6V47 R166V47-D49 VanDerWaalsContact C-N 3.29Å; V47-D49 PolarHBondContact O-N 3.19Å; D49-R166 PolarHBondContact O-NH2 3.43Å; D49-R166 IonicContact OD2-CZ 3.72Å; D49-R166 IonicContact OD2-NH1 2.76Å; D49-R166 PolarHBondContact OD2-NH1 3.04Å
50N80.2Confident90.4Very high111 Ų11145.2 Ų45.259%0.59426%0.255SS*.EExtended strand (participates in β ladder)trans-101.3122.3177.2-58.1-83.8000111.6D46 V47 D48 V52D46-N50 CarbonylContact C-O 3.55Å; D46-N50 VanDerWaalsContact CA-O 3.28Å; D46-N50 WeakPolarHBondContact CA-O 3.44Å; V47-N50 PolarHBondContact N-O 2.87Å; V47-N50 WeakPolarHBondContact O-CB 3.26Å; V47-N50 PolarHBondContact O-N 3.4Å; V47-N50 PolarHBondContact O-ND2 3.08Å; D48-N50 PolarHBondContact O-N 3.47Å; D48-N50 PolarHBondContact O-ND2 3.43Å; N50-V52 PolarHBondContact O-N 3.25Å
51A85.2Confident90.4Very high77 Ų7745 Ų4564%0.63626%0.255SS*.EExtended strand (participates in β ladder)trans-65.6126.2179.700000112.1D46D46-A51 WeakPolarHBondContact OD1-CA 3.25Å; D46-A51 WeakPolarHBondContact OD1-CB 3.39Å
52V88.3Confident90.3Very high42 Ų4246.7 Ų46.726%0.25526%0.264SS..EExtended strand (participates in β ladder)trans-114.7-13.2178.5-59.70000114I45 V47 N50 A72 I74I45-V52 HydrophobicContact CB-CG2 3.93Å; I45-V52 HydrophobicContact CG2-CG2 3.69Å; I45-V52 WeakPolarHBondContact O-CG2 3.4Å; I45-V52 PolarHBondContact O-N 3.37Å; V47-V52 HydrophobicContact CB-CG1 4.01Å; V47-V52 HydrophobicContact CG2-CB 4.29Å; V47-V52 HydrophobicContact CG2-CG1 3.61Å; V47-V52 HydrophobicContact CG2-CG2 3.66Å; N50-V52 PolarHBondContact O-N 3.25Å; V52-A72 HydrophobicContact CB-CB 3.91Å; V52-A72 HydrophobicContact CG1-CB 4.33Å; V52-A72 HydrophobicContact CG2-CB 4.43Å; V52-I74 HydrophobicContact CG1-CG2 4.44Å
53G87.8Confident90.3Very high22 Ų2251.4 Ų51.423%0.22729%0.289CS..EExtended strand (participates in β ladder)trans-175.8162.9174.800000115.1T44 I45T44-G53 WeakPolarHBondContact CA-O 3.19Å; I45-G53 PolarHBondContact N-O 2.8Å; I45-G53 PolarHBondContact O-N 3.16Å
54K91.5Very high90.3Very high97 Ų9751.5 Ų51.542%0.42229%0.289SS..EExtended strand (participates in β ladder)trans-135.4139.1171.8160.3167.6175.5161.80108.8Y42 V43 D87Y42-K54 HydrophobicContact CD2-CD 3.52Å; Y42-K54 HydrophobicContact CD2-CG 3.78Å; Y42-K54 HydrophobicContact CE2-CD 3.47Å; Y42-K54 VanDerWaalsContact CE2-CD 3.47Å; Y42-K54 HydrophobicContact CE2-CG 4.11Å; Y42-K54 HydrophobicContact CG-CD 4.23Å; Y42-K54 VanDerWaalsContact CG-CE 3.46Å; V43-K54 CarbonylContact O-C 3.35Å; V43-K54 VanDerWaalsContact O-CA 3.29Å; V43-K54 WeakPolarHBondContact O-CA 3.05Å; K54-D87 IonicContact NZ-OD2 2.7Å
55S94Very high90.4Very high3 Ų356.6 Ų56.62%0.02131%0.313CS..PPolyproline II helixtrans-76.9164.6169.375.60000111.6V43 W66 E68V43-S55 PolarHBondContact N-OG 3.21Å; V43-S55 PolarHBondContact O-N 3.31Å; S55-W66 VanDerWaalsContact CB-CD1 3.48Å; S55-W66 PolarHBondContact OG-NE1 3.31Å; S55-E68 WeakPolarHBondContact CA-OE2 3.17Å
56S93.7Very high90.6Very high51 Ų5157.1 Ų57.136%0.35732%0.315SS..PPolyproline II helixtrans-61.2155.6164.474.20000111.6K58 W66 E68S56-K58 WeakPolarHBondContact OG-CE 3.48Å; S56-K58 PolarHBondContact OG-NZ 2.72Å; S56-W66 PolarHBondContact O-NE1 2.79Å; S56-E68 PolarHBondContact N-OE2 3.21Å; S56-E68 PolarHBondContact OG-OE1 2.78Å; S56-E68 PolarHBondContact OG-OE2 3.21Å
57T93.9Very high90.8Very high44 Ų4460.4 Ų60.427%0.2733%0.332SS..PPolyproline II helixtrans-83.6133173.7-55.40000109.7D40 D87D40-T57 HydrophobicContact CB-CG2 4.11Å; D40-T57 WeakPolarHBondContact O-CG2 3.32Å; T57-D87 WeakPolarHBondContact CB-OD2 3.29Å; T57-D87 HydrophobicContact CG2-CB 3.5Å; T57-D87 WeakPolarHBondContact CG2-OD2 3.42Å; T57-D87 PolarHBondContact OG1-OD2 3.37Å
58K94.7Very high91.1Very high48 Ų4862.2 Ų62.221%0.20934%0.34CS..  trans-105.5120173.2-52-61.4165.2170.10108.4D40 P41 S56 T61 P64 Q65 E68D40-K58 CarbonylContact C-O 3.49Å; D40-K58 WeakPolarHBondContact CA-O 3.33Å; P41-K58 WeakPolarHBondContact CD-O 3.45Å; P41-K58 PolarHBondContact O-N 3.17Å; S56-K58 WeakPolarHBondContact OG-CE 3.48Å; S56-K58 PolarHBondContact OG-NZ 2.72Å; K58-T61 HydrophobicContact CB-CG2 3.84Å; K58-P64 HydrophobicContact CB-CB 3.86Å; K58-P64 HydrophobicContact CG-CB 3.78Å; K58-Q65 WeakPolarHBondContact CD-O 3.44Å; K58-Q65 WeakPolarHBondContact CE-O 3.45Å; K58-Q65 PolarHBondContact NZ-O 3.44Å; K58-E68 WeakPolarHBondContact CE-OE1 3.45Å; K58-E68 IonicContact NZ-OE1 3.75Å; K58-E68 PolarHBondContact NZ-OE1 3.45Å
59S90.9Very high91.5Very high94 Ų9464.8 Ų64.866%0.65735%0.354SS*.THydrogen-bonded Turntrans-75.9141.4-173.3-54.80000113.5D40 T61D40-S59 WeakPolarHBondContact OD1-CA 3.47Å; D40-S59 WeakPolarHBondContact OD1-CB 3.48Å; S59-T61 PolarHBondContact O-N 2.9Å
60R89.8Confident92.1Very high141 Ų14161.8 Ų61.853%0.53234%0.337SS..THydrogen-bonded Turntrans49.747.3167.7-53.6-167.668.5120.712.8115L38 L39 D40L38-R60 HydrophobicContact CB-CB 4.42Å; L38-R60 HydrophobicContact CD1-CB 4.41Å; L39-R60 CarbonylContact O-C 3.52Å; L39-R60 WeakPolarHBondContact O-CA 3.43Å; L39-R60 PolarHBondContact O-N 3.01Å; L39-R60 VanDerWaalsContact O-N 3.09Å; D40-R60 PolarHBondContact OD1-N 2.92Å
61T93Very high92.7Very high35 Ų3560.5 Ų60.522%0.21534%0.336CS..  trans-138.8143178.8-176.20000112.8L39 P41 K58 S59 I63 P64L39-T61 PolarHBondContact O-N 2.87Å; P41-T61 WeakPolarHBondContact CD-O 3.41Å; P41-T61 HydrophobicContact CG-CG2 4.09Å; P41-T61 VanDerWaalsContact CG-O 3.29Å; P41-T61 WeakPolarHBondContact CG-O 3.34Å; K58-T61 HydrophobicContact CB-CG2 3.84Å; S59-T61 PolarHBondContact O-N 2.9Å; T61-I63 VanDerWaalsContact OG1-C 3.23Å; T61-I63 PolarHBondContact OG1-N 3.32Å; T61-I63 PolarHBondContact OG1-O 3.37Å; T61-I63 VanDerWaalsContact OG1-O 3.09Å; T61-P64 HydrophobicContact CG2-CB 3.85Å
62N92.7Very high92.8Very high36 Ų3657.6 Ų57.619%0.19331%0.312CS..SBendtrans-100.72.6169-64.8-12.1000112L18 E37 L39L18-N62 WeakPolarHBondContact CB-O 3.41Å; L18-N62 PolarHBondContact N-O 3.35Å; L18-N62 WeakPolarHBondContact O-CB 3.24Å; E37-N62 PolarHBondContact O-ND2 2.95Å; L39-N62 PolarHBondContact N-OD1 2.69Å; L39-N62 VanDerWaalsContact N-OD1 3.1Å
63I95.5Very high92.8Very high106 Ų10665.4 Ų65.454%0.54434%0.337SS..SBendtrans-133.868.8176.8-46.3176.7000107.9A15 T61A15-I63 CarbonylContact O-C 3.58Å; A15-I63 VanDerWaalsContact O-CA 3.28Å; A15-I63 WeakPolarHBondContact O-CA 3.46Å; A15-I63 WeakPolarHBondContact O-CG2 3.36Å; T61-I63 VanDerWaalsContact OG1-C 3.23Å; T61-I63 PolarHBondContact OG1-N 3.32Å; T61-I63 PolarHBondContact OG1-O 3.37Å; T61-I63 VanDerWaalsContact OG1-O 3.09Å
64P95.8Very high92.8Very high1 Ų164.9 Ų64.91%0.00633%0.329CS..  trans-73.8140.8-179.229.7-36.6000112.4E14 A15 L18 P41 K58 T61 W66E14-P64 CarbonylContact C-O 3.41Å; E14-P64 WeakPolarHBondContact CA-O 3.23Å; E14-P64 VanDerWaalsContact CB-O 3.26Å; E14-P64 WeakPolarHBondContact CB-O 3.49Å; A15-P64 HydrophobicContact CB-CG 3.89Å; A15-P64 PolarHBondContact N-O 3.39Å; A15-P64 WeakPolarHBondContact O-CD 3.41Å; L18-P64 HydrophobicContact CD1-CG 3.81Å; P41-P64 HydrophobicContact CB-CG 4.15Å; P41-P64 HydrophobicContact CG-CB 3.68Å; P41-P64 HydrophobicContact CG-CG 3.6Å; K58-P64 HydrophobicContact CB-CB 3.86Å; K58-P64 HydrophobicContact CG-CB 3.78Å; T61-P64 HydrophobicContact CG2-CB 3.85Å; P64-W66 HydrophobicContact CB-CD2 4.4Å; P64-W66 HydrophobicContact CB-CE3 4.43Å; P64-W66 HydrophobicContact CB-CH2 3.78Å; P64-W66 HydrophobicContact CB-CZ2 3.65Å; P64-W66 HydrophobicContact CB-CZ3 4.16Å; P64-W66 HydrophobicContact CG-CE3 4.36Å; P64-W66 HydrophobicContact CG-CH2 3.17Å; P64-W66 HydrophobicContact CG-CZ2 3.54Å; P64-W66 HydrophobicContact CG-CZ3 3.63Å
65Q96.1Very high92.5Very high117 Ų11766 Ų6655%0.54734%0.34SS..EExtended strand (participates in β ladder)trans-115.2120.1170.2-60.5-169.1-42.100109.4E14 K58E14-Q65 HydrophobicContact CB-CB 4.4Å; E14-Q65 HydrophobicContact CB-CG 3.91Å; E14-Q65 PolarHBondContact OE2-NE2 3.41Å; K58-Q65 WeakPolarHBondContact CD-O 3.44Å; K58-Q65 WeakPolarHBondContact CE-O 3.45Å; K58-Q65 PolarHBondContact NZ-O 3.44Å
66W96Very high92Very high11 Ų1171 Ų714%0.04236%0.359CS..EExtended strand (participates in β ladder)trans-96.8-61.1179.4-66.8-80.7000111I12 Y13 A15 P41 V43 S55 S56 P64 E68 L122I12-W66 HydrophobicContact CB-CB 4.44Å; I12-W66 HydrophobicContact CG2-CB 4.21Å; I12-W66 HydrophobicContact CG2-CD2 4.07Å; I12-W66 HydrophobicContact CG2-CE3 3.52Å; I12-W66 HydrophobicContact CG2-CG 4.36Å; I12-W66 HydrophobicContact CG2-CZ3 4.15Å; Y13-W66 PolarHBondContact O-N 3.29Å; A15-W66 HydrophobicContact CB-CH2 3.9Å; A15-W66 HydrophobicContact CB-CZ3 3.63Å; P41-W66 HydrophobicContact CB-CZ2 4.33Å; V43-W66 HydrophobicContact CG2-CD2 4.41Å; V43-W66 HydrophobicContact CG2-CE3 4.23Å; V43-W66 HydrophobicContact CG2-CH2 3.31Å; V43-W66 HydrophobicContact CG2-CZ2 3.59Å; V43-W66 HydrophobicContact CG2-CZ3 3.67Å; S55-W66 VanDerWaalsContact CB-CD1 3.48Å; S55-W66 PolarHBondContact OG-NE1 3.31Å; S56-W66 PolarHBondContact O-NE1 2.79Å; P64-W66 HydrophobicContact CB-CD2 4.4Å; P64-W66 HydrophobicContact CB-CE3 4.43Å; P64-W66 HydrophobicContact CB-CH2 3.78Å; P64-W66 HydrophobicContact CB-CZ2 3.65Å; P64-W66 HydrophobicContact CB-CZ3 4.16Å; P64-W66 HydrophobicContact CG-CE3 4.36Å; P64-W66 HydrophobicContact CG-CH2 3.17Å; P64-W66 HydrophobicContact CG-CZ2 3.54Å; P64-W66 HydrophobicContact CG-CZ3 3.63Å; W66-E68 VanDerWaalsContact C-N 3.28Å; W66-E68 HydrophobicContact CB-CB 4.26Å; W66-E68 HydrophobicContact CB-CG 4.19Å; W66-L122 HydrophobicContact CE3-CD1 4.48Å; W66-L122 HydrophobicContact CH2-CD1 4.43Å; W66-L122 HydrophobicContact CZ3-CD1 3.72Å
67N95.2Very high91.6Very high81 Ų8168.7 Ų68.743%0.43334%0.342SS..EExtended strand (participates in β ladder)trans55.742.6-169.6-61.1-77.5000112.5I12 Y13I12-N67 CarbonylContact O-C 3.5Å; I12-N67 WeakPolarHBondContact O-CA 3.45Å; I12-N67 PolarHBondContact O-N 3.19Å; Y13-N67 PolarHBondContact O-N 3.44Å; Y13-N67 VanDerWaalsContact O-N 3.07Å
68E95.2Very high91.3Very high46 Ų4669.7 Ų69.722%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-113.6137.1-172.3-73158.8-137.200110.9I12 S55 S56 K58 W66I12-E68 PolarHBondContact N-O 2.91Å; I12-E68 PolarHBondContact O-N 3.45Å; S55-E68 WeakPolarHBondContact CA-OE2 3.17Å; S56-E68 PolarHBondContact N-OE2 3.21Å; S56-E68 PolarHBondContact OG-OE1 2.78Å; S56-E68 PolarHBondContact OG-OE2 3.21Å; K58-E68 WeakPolarHBondContact CE-OE1 3.45Å; K58-E68 IonicContact NZ-OE1 3.75Å; K58-E68 PolarHBondContact NZ-OE1 3.45Å; W66-E68 VanDerWaalsContact C-N 3.28Å; W66-E68 HydrophobicContact CB-CB 4.26Å; W66-E68 HydrophobicContact CB-CG 4.19Å
69D93.6Very high91Very high108 Ų10870.5 Ų70.558%0.57835%0.349SS*.EExtended strand (participates in β ladder)trans-102.9130.3178.8-56.8-73.5000110.6I10 R11I10-D69 CarbonylContact O-C 3.5Å; I10-D69 WeakPolarHBondContact O-CA 3.29Å; R11-D69 WeakPolarHBondContact CB-OD1 3.49Å; R11-D69 WeakPolarHBondContact CD-OD1 3.44Å; R11-D69 VanDerWaalsContact CG-OD1 3.24Å; R11-D69 WeakPolarHBondContact CG-OD1 3.21Å; R11-D69 IonicContact CZ-OD1 3.26Å; R11-D69 IonicContact CZ-OD2 3.86Å; R11-D69 IonicContact NE-OD1 2.71Å; R11-D69 IonicContact NH1-OD1 3.92Å; R11-D69 PolarHBondContact NH1-OD1 2.87Å; R11-D69 IonicContact NH1-OD2 3.62Å; R11-D69 PolarHBondContact NH1-OD2 3.3Å
70I91.2Very high91Very high26 Ų2666 Ų6613%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-118.5128.2177.6-67.5173.1000108.5N9 I10 I12 I45N9-I70 WeakPolarHBondContact CA-O 3.48Å; I10-I70 PolarHBondContact N-O 3.05Å; I10-I70 PolarHBondContact O-N 3.36Å; I12-I70 HydrophobicContact CD1-CD1 3.98Å; I45-I70 HydrophobicContact CD1-CB 4.23Å; I45-I70 HydrophobicContact CD1-CD1 3.72Å; I45-I70 HydrophobicContact CD1-CG2 4.21Å; I45-I70 HydrophobicContact CG1-CD1 4.31Å
71C91.7Very high91.1Very high85 Ų8559.6 Ų59.657%0.57429%0.294SS*.EExtended strand (participates in β ladder)trans-120.6130.6179.6-175.80000110.4L8 N9L8-C71 WeakPolarHBondContact O-CA 3.47Å; N9-C71 PolarHBondContact OD1-SG 3.08Å
72A88Confident91.2Very high15 Ų1558 Ų5812%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-139.4149.9178.200000111.4T7 L8 V52 I74T7-A72 WeakPolarHBondContact CA-O 3.43Å; L8-A72 PolarHBondContact N-O 3.14Å; L8-A72 PolarHBondContact O-N 3.09Å; V52-A72 HydrophobicContact CB-CB 3.91Å; V52-A72 HydrophobicContact CG1-CB 4.33Å; V52-A72 HydrophobicContact CG2-CB 4.43Å; A72-I74 HydrophobicContact CB-CG2 4.41Å
73R89.2Confident91.2Very high207 Ų20756.3 Ų56.378%0.78128%0.275SS*.EExtended strand (participates in β ladder)trans-98.5130.1165.1-77-177.761.7-166.7-3.7109.1G6G6-R73 WeakPolarHBondContact O-CA 3.22Å
74I87.4Confident91.2Very high11 Ų1151.2 Ų51.26%0.05625%0.249CC..EExtended strand (participates in β ladder)trans-132.7146.5-174.458.6179.1000110.3F4 S5 G6 L8 V47 V52 A72 A77 L103F4-I74 HydrophobicContact CD1-CD1 3.64Å; F4-I74 HydrophobicContact CD1-CG1 3.83Å; F4-I74 HydrophobicContact CE1-CD1 3.88Å; F4-I74 HydrophobicContact CE1-CG1 3.85Å; S5-I74 CarbonylContact C-O 3.47Å; S5-I74 WeakPolarHBondContact CA-O 3.34Å; G6-I74 PolarHBondContact N-O 3.25Å; G6-I74 PolarHBondContact O-N 2.99Å; L8-I74 HydrophobicContact CB-CD1 3.7Å; L8-I74 HydrophobicContact CB-CG1 4.22Å; L8-I74 HydrophobicContact CD2-CD1 4.02Å; L8-I74 HydrophobicContact CG-CD1 4.35Å; V47-I74 HydrophobicContact CB-CG2 4.49Å; V47-I74 HydrophobicContact CG1-CD1 4.42Å; V47-I74 HydrophobicContact CG1-CG2 4.22Å; V47-I74 HydrophobicContact CG2-CG2 4.3Å; V52-I74 HydrophobicContact CG1-CG2 4.44Å; A72-I74 HydrophobicContact CB-CG2 4.41Å; I74-A77 HydrophobicContact CB-CB 4.23Å; I74-A77 HydrophobicContact CD1-CB 3.73Å; I74-A77 HydrophobicContact CG1-CB 4.21Å; I74-L103 HydrophobicContact CD1-CD2 4.03Å
75N84.4Confident91.1Very high121 Ų12151.2 Ų51.265%0.64725%0.249SC*.EExtended strand (participates in β ladder)trans-126.4129.9-179.2-57.4-44.3000108.6A77N75-A77 PolarHBondContact O-N 3.27Å
76Y84.3Confident90.8Very high107 Ų10747.2 Ų47.242%0.4223%0.23SC..EExtended strand (participates in β ladder)trans51.435.7179.6-57.1-81000115.5Y3 F4 S5 P137Y3-Y76 WeakPolarHBondContact CD1-O 3.49Å; F4-Y76 CarbonylContact O-C 3.56Å; F4-Y76 WeakPolarHBondContact O-CA 3.27Å; F4-Y76 PolarHBondContact O-N 3.17Å; S5-Y76 PolarHBondContact OG-N 3.14Å; Y76-P137 HydrophobicContact CD1-CG 3.88Å; Y76-P137 HydrophobicContact CD2-CG 4.02Å; Y76-P137 HydrophobicContact CE1-CG 4.28Å; Y76-P137 HydrophobicContact CE2-CG 4.4Å; Y76-P137 HydrophobicContact CG-CG 3.73Å
77A85.5Confident90.4Very high2 Ų249.5 Ų49.52%0.01724%0.243CC..EExtended strand (participates in β ladder)trans-72.3140.2-178.700000113F4 V47 D48 I74 N75 L103F4-A77 PolarHBondContact N-O 2.94Å; F4-A77 PolarHBondContact O-N 3.29Å; V47-A77 HydrophobicContact CG1-CB 3.48Å; V47-A77 VanDerWaalsContact CG1-CB 3.48Å; D48-A77 VanDerWaalsContact OD2-CA 3.3Å; D48-A77 WeakPolarHBondContact OD2-CA 3.33Å; I74-A77 HydrophobicContact CB-CB 4.23Å; I74-A77 HydrophobicContact CD1-CB 3.73Å; I74-A77 HydrophobicContact CG1-CB 4.21Å; N75-A77 PolarHBondContact O-N 3.27Å; A77-L103 HydrophobicContact CB-CD1 4.36Å; A77-L103 HydrophobicContact CB-CD2 3.84Å
78Q86.9Confident89.5Confident66 Ų6646.8 Ų46.831%0.30823%0.232SC..  trans-118.3-34.6179.5-67.1173.192.900114.3Y3 D48 A102 L103Y3-Q78 HydrophobicContact CD1-CG 3.48Å; Y3-Q78 VanDerWaalsContact CD1-CG 3.48Å; Y3-Q78 HydrophobicContact CE1-CG 3.66Å; Y3-Q78 HydrophobicContact CG-CG 4.35Å; D48-Q78 PolarHBondContact OD1-N 2.7Å; D48-Q78 PolarHBondContact OD2-N 3.45Å; Q78-A102 CarbonylContact O-C 3.56Å; Q78-A102 WeakPolarHBondContact O-CA 3.4Å; Q78-L103 PolarHBondContact O-N 3.38Å
79Q88Confident88.4Confident65 Ų6549.8 Ų49.830%0.30426%0.264SS..EExtended strand (participates in β ladder)trans-134.7134.2-175.5-175.5174.3-56.500112.5V47 D48 T81 E100 L103V47-Q79 WeakPolarHBondContact CA-O 3.13Å; D48-Q79 PolarHBondContact N-O 2.98Å; D48-Q79 PolarHBondContact OD1-N 3.3Å; Q79-T81 PolarHBondContact NE2-OG1 3.21Å; Q79-T81 VanDerWaalsContact NE2-OG1 3.16Å; Q79-E100 HydrophobicContact CG-CB 4.45Å; Q79-E100 VanDerWaalsContact NE2-CD 3.27Å; Q79-L103 VanDerWaalsContact C-CD1 3.45Å
80L91.2Very high86.7Confident0 Ų048.1 Ų48.10%026%0.255CS..EExtended strand (participates in β ladder)trans-93.8135161.5-56.7-179.2000108.8L8 I10 V47 F82 L101 L103 V106 I126L8-L80 HydrophobicContact CD1-CD1 4.37Å; L8-L80 HydrophobicContact CD1-CD2 4.3Å; L8-L80 HydrophobicContact CD2-CD2 3.8Å; I10-L80 HydrophobicContact CD1-CD1 4.27Å; V47-L80 HydrophobicContact CG2-CD2 3.74Å; L80-F82 HydrophobicContact CB-CD2 4.45Å; L80-F82 HydrophobicContact CB-CE2 3.84Å; L80-F82 HydrophobicContact CB-CZ 4.47Å; L80-F82 HydrophobicContact CD1-CE2 4.1Å; L80-F82 HydrophobicContact CD1-CZ 4.17Å; L80-L101 PolarHBondContact N-O 3.43Å; L80-L101 PolarHBondContact O-N 2.84Å; L80-L103 HydrophobicContact CD2-CD1 3.83Å; L80-L103 HydrophobicContact CD2-CG 4.38Å; L80-L103 HydrophobicContact CG-CD1 3.7Å; L80-L103 HydrophobicContact CG-CG 4.2Å; L80-V106 HydrophobicContact CD1-CG2 4.34Å; L80-I126 HydrophobicContact CD1-CD1 3.67Å
81T92.1Very high85.3Confident6 Ų649.4 Ų49.44%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-121.8119.1173.2-610000108.7D46 Q79 I98 E100D46-T81 PolarHBondContact N-O 3.29Å; D46-T81 PolarHBondContact O-N 3.43Å; Q79-T81 PolarHBondContact NE2-OG1 3.21Å; Q79-T81 VanDerWaalsContact NE2-OG1 3.16Å; T81-I98 HydrophobicContact CG2-CD1 3.71Å; T81-I98 HydrophobicContact CG2-CG1 3.94Å; T81-E100 HydrophobicContact CG2-CG 4.1Å
82F94.5Very high84.2Confident0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-105.6117.9175.9-63.3-92.9000108.8I10 V43 T44 I45 L80 I98 V99 L114 L122 I124 I126I10-F82 HydrophobicContact CD1-CE1 4.07Å; I10-F82 HydrophobicContact CD1-CZ 3.86Å; I10-F82 HydrophobicContact CG2-CE1 3.99Å; I10-F82 HydrophobicContact CG2-CZ 4.28Å; V43-F82 HydrophobicContact CG1-CB 4.48Å; V43-F82 HydrophobicContact CG1-CD1 4.44Å; T44-F82 WeakPolarHBondContact O-CA 3.4Å; I45-F82 HydrophobicContact CD1-CD1 4.38Å; I45-F82 HydrophobicContact CD1-CE1 3.88Å; I45-F82 HydrophobicContact CG1-CD1 3.95Å; I45-F82 HydrophobicContact CG1-CE1 3.93Å; I45-F82 HydrophobicContact CG2-CD1 4.43Å; I45-F82 HydrophobicContact CG2-CE1 4.13Å; L80-F82 HydrophobicContact CB-CD2 4.45Å; L80-F82 HydrophobicContact CB-CE2 3.84Å; L80-F82 HydrophobicContact CB-CZ 4.47Å; L80-F82 HydrophobicContact CD1-CE2 4.1Å; L80-F82 HydrophobicContact CD1-CZ 4.17Å; F82-I98 CarbonylContact O-C 3.48Å; F82-I98 VanDerWaalsContact O-CA 3.31Å; F82-I98 WeakPolarHBondContact O-CA 3.12Å; F82-I98 WeakPolarHBondContact O-CG1 3.31Å; F82-V99 HydrophobicContact CB-CG1 3.83Å; F82-V99 HydrophobicContact CD2-CG1 4.18Å; F82-V99 HydrophobicContact CG-CG1 4.39Å; F82-V99 PolarHBondContact N-O 2.88Å; F82-V99 PolarHBondContact O-N 3.34Å; F82-L114 HydrophobicContact CD2-CD1 3.93Å; F82-L114 HydrophobicContact CE2-CD1 3.99Å; F82-L122 HydrophobicContact CB-CD2 4.08Å; F82-L122 HydrophobicContact CD1-CD2 3.93Å; F82-L122 HydrophobicContact CG-CD2 4.15Å; F82-I124 HydrophobicContact CE1-CD1 4.03Å; F82-I124 HydrophobicContact CE2-CD1 3.84Å; F82-I124 HydrophobicContact CZ-CD1 3.46Å; F82-I124 VanDerWaalsContact CZ-CD1 3.46Å; F82-I126 HydrophobicContact CZ-CD1 4.45Å
83T94.2Very high83.9Confident1 Ų147 Ų471%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-119.7132.3177.4-43.30000111.1V43 T44 Y85 F95 A97 I98 R164V43-T83 CarbonylContact C-O 3.55Å; V43-T83 WeakPolarHBondContact CA-O 3.34Å; T44-T83 PolarHBondContact N-O 2.8Å; T44-T83 PolarHBondContact O-N 2.81Å; T44-T83 PolarHBondContact OG1-O 2.92Å; T83-Y85 HydrophobicContact CG2-CD2 4.1Å; T83-Y85 HydrophobicContact CG2-CE1 4.49Å; T83-Y85 HydrophobicContact CG2-CE2 3.32Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.38Å; T83-F95 HydrophobicContact CG2-CD2 3.89Å; T83-F95 HydrophobicContact CG2-CE2 3.75Å; T83-A97 WeakPolarHBondContact CG2-O 3.3Å; T83-I98 HydrophobicContact CG2-CB 4.16Å; T83-I98 HydrophobicContact CG2-CD1 4.22Å; T83-I98 HydrophobicContact CG2-CG1 4.19Å; T83-I98 WeakPolarHBondContact OG1-CD1 3.19Å; T83-R164 PolarHBondContact OG1-NH2 2.92Å
84V94.8Very high83.7Confident0 Ų039.2 Ų39.20%022%0.22CC..EExtended strand (participates in β ladder)trans-97.5130.7174.4-1700000109.3L18 P41 Y42 V43 V96 A97 L116L18-V84 HydrophobicContact CD1-CG1 3.98Å; L18-V84 HydrophobicContact CD2-CG1 4.25Å; L18-V84 HydrophobicContact CD2-CG2 4.41Å; P41-V84 HydrophobicContact CB-CG1 4.14Å; Y42-V84 WeakPolarHBondContact O-CA 3.4Å; V43-V84 HydrophobicContact CG2-CG2 4.39Å; V84-V96 HydrophobicContact CB-CB 4.21Å; V84-V96 HydrophobicContact CB-CG1 4.48Å; V84-V96 HydrophobicContact CG1-CB 4.1Å; V84-V96 HydrophobicContact CG1-CG1 4.21Å; V84-V96 WeakPolarHBondContact O-CB 3.48Å; V84-V96 PolarHBondContact O-N 2.78Å; V84-A97 PolarHBondContact N-O 3.32Å; V84-A97 PolarHBondContact O-N 2.84Å; V84-L116 HydrophobicContact CG2-CD1 3.83Å; V84-L116 HydrophobicContact CG2-CD2 4.42Å
85Y93.1Very high83.9Confident0 Ų038.7 Ų38.70%022%0.217CC..EExtended strand (participates in β ladder)trans-121.5153.1175.9-71.7-87.1000110.9P41 Y42 T44 T83 D93 D94 F95 R164P41-Y85 CarbonylContact C-O 3.54Å; P41-Y85 VanDerWaalsContact CA-O 3.23Å; P41-Y85 WeakPolarHBondContact CA-O 3.34Å; Y42-Y85 HydrophobicContact CE2-CD2 4.1Å; Y42-Y85 HydrophobicContact CE2-CG 4.42Å; Y42-Y85 PolarHBondContact N-O 3Å; Y42-Y85 PolarHBondContact O-N 2.83Å; T44-Y85 HydrophobicContact CG2-CD2 4.19Å; T44-Y85 HydrophobicContact CG2-CE2 4.25Å; T83-Y85 HydrophobicContact CG2-CD2 4.1Å; T83-Y85 HydrophobicContact CG2-CE1 4.49Å; T83-Y85 HydrophobicContact CG2-CE2 3.32Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.38Å; Y85-D93 HydrophobicContact CD1-CB 3.88Å; Y85-D93 HydrophobicContact CG-CB 4.25Å; Y85-D94 WeakPolarHBondContact CA-O 3.18Å; Y85-F95 HydrophobicContact CE1-CB 4.44Å; Y85-R164 HydrophobicContact CE1-CG 4.12Å; Y85-R164 HydrophobicContact CE2-CG 4.11Å; Y85-R164 VanDerWaalsContact CZ-NE 3.27Å; Y85-R164 PolarHBondContact OH-NE 2.87Å
86H90.3Very high84.3Confident34 Ų3433.1 Ų33.116%0.15719%0.187CC..EExtended strand (participates in β ladder)trans-87.3120.8159.1178.4-0.9000107.8L39 D40 A88 D93 D94 V96L39-H86 HydrophobicContact CD2-CB 4.09Å; D40-H86 PolarHBondContact N-ND1 3.34Å; D40-H86 IonicContact OD2-CE1 2.84Å; D40-H86 PolarHBondContact OD2-CE1 2.85Å; D40-H86 VanDerWaalsContact OD2-CE1 3.31Å; D40-H86 IonicContact OD2-ND1 3.75Å; H86-A88 PolarHBondContact O-N 2.8Å; H86-A88 VanDerWaalsContact O-N 3.15Å; H86-D93 WeakPolarHBondContact O-CB 3.48Å; H86-D94 HydrophobicContact CB-CB 3.98Å; H86-D94 PolarHBondContact N-O 2.89Å; H86-D94 PolarHBondContact O-N 3.24Å; H86-V96 HydrophobicContact CB-CG2 4.06Å
87D88.4Confident84.7Confident59 Ų5928 Ų2832%0.31617%0.167SC..  trans-61.5111.3171.2-148.3-53.2000108.4D40 Y42 K54 T57D40-D87 HydrophobicContact CB-CB 4.28Å; D40-D87 PolarHBondContact O-N 3.06Å; Y42-D87 HydrophobicContact CD1-CB 4Å; Y42-D87 HydrophobicContact CE1-CB 4.22Å; K54-D87 IonicContact NZ-OD2 2.7Å; T57-D87 WeakPolarHBondContact CB-OD2 3.29Å; T57-D87 HydrophobicContact CG2-CB 3.5Å; T57-D87 WeakPolarHBondContact CG2-OD2 3.42Å; T57-D87 PolarHBondContact OG1-OD2 3.37Å
88A76Confident85.1Confident23 Ų2328.2 Ų28.219%0.1917%0.168CC..  trans-93.9136.7-172.800000110.6H86 I90 D93H86-A88 PolarHBondContact O-N 2.8Å; H86-A88 VanDerWaalsContact O-N 3.15Å; A88-I90 WeakPolarHBondContact CB-O 3.46Å; A88-I90 CarbonylContact O-C 3.52Å; A88-I90 PolarHBondContact O-N 3.25Å; A88-D93 PolarHBondContact N-OD1 2.74Å
89A70.9Confident85.3Confident109 Ų10926 Ų2690%0.90116%0.159SC*.SBendtrans-56.9-25.2-177.200000114
90I58.4Low85.4Confident74 Ų7426.8 Ų26.838%0.37916%0.163SC..SBendtrans-134135.6155.8-46.587.5000107.5A88 Q691A88-I90 WeakPolarHBondContact CB-O 3.46Å; A88-I90 CarbonylContact O-C 3.52Å; A88-I90 PolarHBondContact O-N 3.25Å; I90-Q691 HydrophobicContact CD1-CG 4.3Å
91P61.4Low85.3Confident52 Ų5226.9 Ų26.934%0.33816%0.163SC..SBendtrans-61159.2175.3-25.435.6000113.8L163P91-L163 HydrophobicContact CB-CB 3.77Å; P91-L163 HydrophobicContact CB-CD2 4.04Å
92P68.7Low85.1Confident32 Ų3227.1 Ų27.121%0.20817%0.166CC..SBendcis-75.6145.88.133.5-39.1000113.2L163 R165P92-L163 HydrophobicContact CB-CD2 4.44Å; P92-R165 HydrophobicContact CB-CG 4.05Å
93D82.4Confident84.7Confident17 Ų1727.3 Ų27.39%0.09117%0.166CC..PPolyproline II helixtrans-61.8141.6173.8-68.3-37.7000112.5Y42 Y85 H86 A88 Q176Y42-D93 HydrophobicContact CE1-CB 4.39Å; Y42-D93 WeakPolarHBondContact CE1-OD2 3.1Å; Y42-D93 PolarHBondContact OH-OD2 3.44Å; Y85-D93 HydrophobicContact CD1-CB 3.88Å; Y85-D93 HydrophobicContact CG-CB 4.25Å; H86-D93 WeakPolarHBondContact O-CB 3.48Å; A88-D93 PolarHBondContact N-OD1 2.74Å; D93-Q176 PolarHBondContact O-NE2 2.99Å
94D85.1Confident84.1Confident44 Ų4432.2 Ų32.224%0.23519%0.185CC..EExtended strand (participates in β ladder)trans-79125.1-175.7-116.5-18.1000109.8A24 Y85 H86 V96A24-D94 VanDerWaalsContact CB-OD2 3.23Å; A24-D94 WeakPolarHBondContact CB-OD2 3.33Å; Y85-D94 WeakPolarHBondContact CA-O 3.18Å; H86-D94 HydrophobicContact CB-CB 3.98Å; H86-D94 PolarHBondContact N-O 2.89Å; H86-D94 PolarHBondContact O-N 3.24Å; D94-V96 PolarHBondContact O-N 3.28Å
95F91.1Very high83.6Confident1 Ų134.9 Ų34.90%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-66.2126.7177.4172.6-93.7000111.3T21 T83 Y85 I98 I167 K174 Q204 V205T21-F95 HydrophobicContact CG2-CD1 4.01Å; T21-F95 HydrophobicContact CG2-CE1 4.38Å; T21-F95 WeakPolarHBondContact CG2-O 3.32Å; T21-F95 PolarHBondContact OG1-O 2.91Å; T83-F95 HydrophobicContact CG2-CD2 3.89Å; T83-F95 HydrophobicContact CG2-CE2 3.75Å; Y85-F95 HydrophobicContact CE1-CB 4.44Å; F95-I98 HydrophobicContact CE2-CB 3.92Å; F95-I98 HydrophobicContact CE2-CG2 4.14Å; F95-I98 HydrophobicContact CZ-CB 4.09Å; F95-I98 HydrophobicContact CZ-CG2 3.89Å; F95-I167 HydrophobicContact CB-CD1 4.01Å; F95-I167 HydrophobicContact CD2-CD1 3.52Å; F95-I167 HydrophobicContact CD2-CG1 3.58Å; F95-I167 HydrophobicContact CE2-CD1 4.21Å; F95-I167 HydrophobicContact CE2-CG1 3.91Å; F95-I167 HydrophobicContact CE2-CG2 4.28Å; F95-I167 HydrophobicContact CG-CD1 3.88Å; F95-I167 HydrophobicContact CG-CG1 4.43Å; F95-K174 HydrophobicContact CE1-CB 3.95Å; F95-K174 HydrophobicContact CE1-CG 3.98Å; F95-K174 HydrophobicContact CZ-CB 3.99Å; F95-K174 HydrophobicContact CZ-CD 4.29Å; F95-K174 HydrophobicContact CZ-CG 3.81Å; F95-Q204 HydrophobicContact CB-CB 4.17Å; F95-Q204 HydrophobicContact CB-CG 3.96Å; F95-Q204 HydrophobicContact CD1-CB 3.62Å; F95-Q204 HydrophobicContact CD1-CG 4.24Å; F95-Q204 HydrophobicContact CE1-CB 4.46Å; F95-Q204 HydrophobicContact CG-CB 4.22Å; F95-Q204 HydrophobicContact CG-CG 4.34Å; F95-V205 HydrophobicContact CE1-CG2 4.4Å
96V92.5Very high83.1Confident3 Ų335.3 Ų35.32%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-100.6-64.6175.9177.60000110.5L18 T21 L39 V84 H86 D94L18-V96 HydrophobicContact CB-CG1 4.33Å; L18-V96 HydrophobicContact CD2-CG1 4.18Å; T21-V96 VanDerWaalsContact CG2-O 3.26Å; T21-V96 WeakPolarHBondContact CG2-O 3.42Å; L39-V96 HydrophobicContact CD1-CB 4.46Å; L39-V96 HydrophobicContact CD1-CG1 3.67Å; L39-V96 HydrophobicContact CD1-CG2 3.86Å; L39-V96 HydrophobicContact CD2-CG2 3.99Å; L39-V96 HydrophobicContact CG-CG2 4.49Å; V84-V96 HydrophobicContact CB-CB 4.21Å; V84-V96 HydrophobicContact CB-CG1 4.48Å; V84-V96 HydrophobicContact CG1-CB 4.1Å; V84-V96 HydrophobicContact CG1-CG1 4.21Å; V84-V96 WeakPolarHBondContact O-CB 3.48Å; V84-V96 PolarHBondContact O-N 2.78Å; H86-V96 HydrophobicContact CB-CG2 4.06Å; D94-V96 PolarHBondContact O-N 3.28Å
97A93.3Very high82.5Confident0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-160.9166.5-17600000112.7T83 V84 L116 E117T83-A97 WeakPolarHBondContact CG2-O 3.3Å; V84-A97 PolarHBondContact N-O 3.32Å; V84-A97 PolarHBondContact O-N 2.84Å; A97-L116 HydrophobicContact CB-CB 3.73Å; A97-L116 HydrophobicContact CB-CD1 4.3Å; A97-E117 CarbonylContact C-O 3.48Å; A97-E117 WeakPolarHBondContact CA-O 3.24Å; A97-E117 WeakPolarHBondContact CB-O 3.27Å
98I92.9Very high82.1Confident6 Ų640.4 Ų40.43%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-147.6152.7-177.9-166.4168.9000112.3T81 F82 T83 F95 E117 K174T81-I98 HydrophobicContact CG2-CD1 3.71Å; T81-I98 HydrophobicContact CG2-CG1 3.94Å; F82-I98 CarbonylContact O-C 3.48Å; F82-I98 VanDerWaalsContact O-CA 3.31Å; F82-I98 WeakPolarHBondContact O-CA 3.12Å; F82-I98 WeakPolarHBondContact O-CG1 3.31Å; T83-I98 HydrophobicContact CG2-CB 4.16Å; T83-I98 HydrophobicContact CG2-CD1 4.22Å; T83-I98 HydrophobicContact CG2-CG1 4.19Å; T83-I98 WeakPolarHBondContact OG1-CD1 3.19Å; F95-I98 HydrophobicContact CE2-CB 3.92Å; F95-I98 HydrophobicContact CE2-CG2 4.14Å; F95-I98 HydrophobicContact CZ-CB 4.09Å; F95-I98 HydrophobicContact CZ-CG2 3.89Å; I98-E117 PolarHBondContact N-O 2.85Å; I98-E117 PolarHBondContact O-N 2.85Å; I98-K174 HydrophobicContact CG2-CD 3.68Å
99V92.2Very high82.2Confident19 Ų1940.9 Ų40.912%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-138.9142.4163.661.70000110.4F82 L114 E115 L116F82-V99 HydrophobicContact CB-CG1 3.83Å; F82-V99 HydrophobicContact CD2-CG1 4.18Å; F82-V99 HydrophobicContact CG-CG1 4.39Å; F82-V99 PolarHBondContact N-O 2.88Å; F82-V99 PolarHBondContact O-N 3.34Å; V99-L114 HydrophobicContact CG1-CB 3.94Å; V99-L114 HydrophobicContact CG1-CD1 3.71Å; V99-L114 HydrophobicContact CG2-CB 4.3Å; V99-L114 HydrophobicContact CG2-CD1 4.5Å; V99-E115 WeakPolarHBondContact CG2-O 3.5Å; V99-L116 HydrophobicContact CB-CD2 3.95Å; V99-L116 HydrophobicContact CG1-CD2 3.59Å
100E89.9Confident82.9Confident83 Ų8340.2 Ų40.239%0.38820%0.203SC..EExtended strand (participates in β ladder)trans-113132.8174.8-66.8176.3162.100108.5Q79 T81 Q169Q79-E100 HydrophobicContact CG-CB 4.45Å; Q79-E100 VanDerWaalsContact NE2-CD 3.27Å; T81-E100 HydrophobicContact CG2-CG 4.1Å; E100-Q169 PolarHBondContact OE1-NE2 2.97Å; E100-Q169 PolarHBondContact OE2-NE2 3.08Å
101L89.6Confident84.5Confident2 Ų240.6 Ų40.61%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-136.3111.2-174.4178.762.7000109.1L80 D105 V106 L114 I126L80-L101 PolarHBondContact N-O 3.43Å; L80-L101 PolarHBondContact O-N 2.84Å; L101-D105 HydrophobicContact CD1-CB 4.15Å; L101-V106 HydrophobicContact CD2-CG2 3.8Å; L101-V106 HydrophobicContact CG-CG2 3.91Å; L101-L114 HydrophobicContact CD2-CD1 4.09Å; L101-L114 HydrophobicContact CD2-CD2 4.1Å; L101-I126 HydrophobicContact CD2-CD1 3.76Å
102A87.2Confident85.9Confident11 Ų1138.7 Ų38.79%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-67.3138.9175.700000110.3Q78 R104 D105Q78-A102 CarbonylContact O-C 3.56Å; Q78-A102 WeakPolarHBondContact O-CA 3.4Å; A102-R104 HydrophobicContact CB-CG 3.74Å; A102-R104 PolarHBondContact O-N 3.33Å; A102-D105 PolarHBondContact O-N 3.27Å
103L86Confident87.1Confident3 Ų340.5 Ų40.52%0.01620%0.195CC..THydrogen-bonded Turntrans-62.8-19.8-174.9-86.181.9000113.5F4 I74 A77 Q78 Q79 L80 L128 R132F4-L103 HydrophobicContact CB-CD2 3.71Å; F4-L103 HydrophobicContact CD1-CD2 3.95Å; F4-L103 HydrophobicContact CG-CD2 4.1Å; I74-L103 HydrophobicContact CD1-CD2 4.03Å; A77-L103 HydrophobicContact CB-CD1 4.36Å; A77-L103 HydrophobicContact CB-CD2 3.84Å; Q78-L103 PolarHBondContact O-N 3.38Å; Q79-L103 VanDerWaalsContact C-CD1 3.45Å; L80-L103 HydrophobicContact CD2-CD1 3.83Å; L80-L103 HydrophobicContact CD2-CG 4.38Å; L80-L103 HydrophobicContact CG-CD1 3.7Å; L80-L103 HydrophobicContact CG-CG 4.2Å; L103-L128 HydrophobicContact CD2-CD1 4.25Å; L103-R132 PolarHBondContact O-NH2 3.35Å
104R82.7Confident87.5Confident104 Ų10439.7 Ų39.739%0.39219%0.191SC..THydrogen-bonded Turntrans-64.4-35.516950.9155.9175.1-81.6-2.4113.8E2 A102 V106 S321E2-R104 HydrophobicContact CB-CB 4.32Å; E2-R104 VanDerWaalsContact OE2-CA 3.3Å; E2-R104 WeakPolarHBondContact OE2-CA 3.13Å; E2-R104 VanDerWaalsContact OE2-CB 3.27Å; E2-R104 WeakPolarHBondContact OE2-CB 2.99Å; A102-R104 HydrophobicContact CB-CG 3.74Å; A102-R104 PolarHBondContact O-N 3.33Å; R104-V106 VanDerWaalsContact C-N 3.35Å; R104-S321 PolarHBondContact NE-OG 3.31Å; R104-S321 PolarHBondContact NH2-OG 3.41Å
105D83.9Confident87.9Confident56 Ų5642 Ų4230%0.29920%0.2SC..THydrogen-bonded Turntrans-90.9-3.6-170.9-58.7-35.8000111.6L101 A102 S321L101-D105 HydrophobicContact CD1-CB 4.15Å; A102-D105 PolarHBondContact O-N 3.27Å; D105-S321 WeakPolarHBondContact OD2-CB 3.44Å; D105-S321 PolarHBondContact OD2-OG 3.24Å
106V81.6Confident87.9Confident9 Ų942.3 Ų42.36%0.05520%0.202CC..PPolyproline II helixtrans-71.5132.1175.5176.10000111.3L80 L101 R104 F108 I126L80-V106 HydrophobicContact CD1-CG2 4.34Å; L101-V106 HydrophobicContact CD2-CG2 3.8Å; L101-V106 HydrophobicContact CG-CG2 3.91Å; R104-V106 VanDerWaalsContact C-N 3.35Å; V106-F108 HydrophobicContact CB-CE1 4.12Å; V106-F108 HydrophobicContact CG1-CD1 3.78Å; V106-F108 HydrophobicContact CG1-CE1 3.64Å; V106-I126 HydrophobicContact CG1-CB 3.74Å; V106-I126 HydrophobicContact CG1-CD1 3.76Å; V106-I126 HydrophobicContact CG1-CG1 4.35Å; V106-I126 HydrophobicContact CG1-CG2 3.79Å; V106-I126 HydrophobicContact CG2-CD1 3.95Å
107R79Confident87.7Confident107 Ų10745.7 Ų45.740%0.40422%0.218SC..PPolyproline II helixtrans-95.3135.2164.4-57.7-170.8-173.8179.84.4110.5E110 M112 L326R107-E110 HydrophobicContact CB-CB 4.44Å; R107-E110 WeakPolarHBondContact CD-OE2 3.44Å; R107-E110 IonicContact CZ-OE2 3.79Å; R107-E110 IonicContact NE-OE2 3.82Å; R107-E110 IonicContact NH1-OE2 2.91Å; R107-E110 PolarHBondContact NH1-OE2 3.08Å; R107-M112 HydrophobicContact CB-CE 4.03Å; R107-M112 WeakPolarHBondContact O-CE 3.36Å; R107-L326 HydrophobicContact CG-CD1 4.09Å
108F78.5Confident87.4Confident94 Ų9447 Ų4741%0.41223%0.226SC..SBendtrans-90.8140.7-176.3-50.8-46.1000111.9V106 E110 I126 L128V106-F108 HydrophobicContact CB-CE1 4.12Å; V106-F108 HydrophobicContact CG1-CD1 3.78Å; V106-F108 HydrophobicContact CG1-CE1 3.64Å; F108-E110 PolarHBondContact O-N 2.89Å; F108-I126 WeakPolarHBondContact CA-O 3.24Å; F108-L128 HydrophobicContact CD1-CB 4.11Å; F108-L128 HydrophobicContact CD1-CD1 4.4Å; F108-L128 HydrophobicContact CD1-CG 3.99Å; F108-L128 HydrophobicContact CE1-CB 3.81Å; F108-L128 HydrophobicContact CE1-CD1 3.41Å; F108-L128 VanDerWaalsContact CE1-CD1 3.41Å; F108-L128 HydrophobicContact CE1-CG 3.48Å; F108-L128 VanDerWaalsContact CE1-CG 3.48Å; F108-L128 HydrophobicContact CZ-CB 4.26Å; F108-L128 HydrophobicContact CZ-CD1 3.8Å; F108-L128 HydrophobicContact CZ-CG 4.21Å
109G78.9Confident87.1Confident32 Ų3248.7 Ų48.733%0.3323%0.234SC..SBendtrans69.8-13.4176.600000116.5R125 I126 D127G109-R125 PolarHBondContact O-NE 2.98Å; G109-I126 PolarHBondContact N-O 2.86Å; G109-D127 WeakPolarHBondContact CA-OD1 3.45Å; G109-D127 PolarHBondContact N-OD1 2.65Å; G109-D127 VanDerWaalsContact N-OD1 3.08Å
110E85.9Confident87.2Confident96 Ų9648 Ų4845%0.44923%0.23SC..  trans-82.5136.7174.9-65.1-169164.600111.4R107 F108R107-E110 HydrophobicContact CB-CB 4.44Å; R107-E110 WeakPolarHBondContact CD-OE2 3.44Å; R107-E110 IonicContact CZ-OE2 3.79Å; R107-E110 IonicContact NE-OE2 3.82Å; R107-E110 IonicContact NH1-OE2 2.91Å; R107-E110 PolarHBondContact NH1-OE2 3.08Å; F108-E110 PolarHBondContact O-N 2.89Å
111D91.5Very high87.4Confident82 Ų8246.6 Ų46.644%0.43922%0.223SC..EExtended strand (participates in β ladder)trans-76.5122.8167.9-62-34.8000109.2Y13 L123 R125Y13-D111 WeakPolarHBondContact CE2-OD1 3.48Å; Y13-D111 PolarHBondContact OH-OD1 2.84Å; D111-L123 HydrophobicContact CB-CD1 4.33Å; D111-R125 IonicContact OD1-CZ 3.91Å; D111-R125 IonicContact OD1-NE 2.83Å; D111-R125 PolarHBondContact OD1-NE 3.08Å; D111-R125 IonicContact OD1-NH2 2.85Å; D111-R125 PolarHBondContact OD1-NH2 3.26Å; D111-R125 IonicContact OD2-CZ 2.65Å; D111-R125 IonicContact OD2-NH2 3.2Å; D111-R125 PolarHBondContact OD2-NH2 3.04Å
112M90.9Very high87.7Confident11 Ų1146.5 Ų46.55%0.05422%0.222CC..EExtended strand (participates in β ladder)trans-131140.8-174.573-17578.600113R107 L114 L123 I124 L326R107-M112 HydrophobicContact CB-CE 4.03Å; R107-M112 WeakPolarHBondContact O-CE 3.36Å; M112-L114 HydrophobicContact CG-CD2 4.15Å; M112-L114 HydrophobicContact SD-CD2 3.96Å; M112-L123 WeakPolarHBondContact O-CA 3.29Å; M112-I124 HydrophobicContact CG-CG1 3.96Å; M112-I124 PolarHBondContact N-O 2.83Å; M112-I124 PolarHBondContact O-N 3.25Å; M112-L326 HydrophobicContact CB-CD2 4.13Å; M112-L326 HydrophobicContact CG-CD2 4.46Å; M112-L326 HydrophobicContact SD-CD2 4Å
113W93.3Very high88.2Confident70 Ų7047.3 Ų47.327%0.26523%0.225SC..EExtended strand (participates in β ladder)trans-86.3122.3166.4-73.699.5000110E14 A16 K121 L122 L123E14-W113 HydrophobicContact CG-CH2 3.89Å; E14-W113 WeakPolarHBondContact OE1-CH2 3.28Å; A16-W113 HydrophobicContact CB-CH2 4.09Å; A16-W113 HydrophobicContact CB-CZ3 4.06Å; W113-K121 HydrophobicContact CD2-CB 4.48Å; W113-K121 HydrophobicContact CE3-CB 3.49Å; W113-K121 VanDerWaalsContact CE3-CB 3.49Å; W113-K121 HydrophobicContact CZ3-CB 3.83Å; W113-L122 WeakPolarHBondContact CA-O 2.93Å; W113-L123 HydrophobicContact CD2-CB 3.95Å; W113-L123 HydrophobicContact CD2-CD1 4.17Å; W113-L123 HydrophobicContact CE3-CB 3.8Å; W113-L123 HydrophobicContact CG-CD1 4.24Å; W113-L123 HydrophobicContact CH2-CB 3.81Å; W113-L123 HydrophobicContact CH2-CD2 4.5Å; W113-L123 HydrophobicContact CZ2-CB 3.92Å; W113-L123 HydrophobicContact CZ2-CD2 3.98Å; W113-L123 HydrophobicContact CZ2-CG 4.38Å; W113-L123 HydrophobicContact CZ3-CB 3.74Å
114L92.4Very high88.6Confident0 Ų047.1 Ų47.10%022%0.224CC..EExtended strand (participates in β ladder)trans-94.5129.8165.4-56.7-173.1000109.5F82 V99 L101 M112 K121 L122 I124 L326F82-L114 HydrophobicContact CD2-CD1 3.93Å; F82-L114 HydrophobicContact CE2-CD1 3.99Å; V99-L114 HydrophobicContact CG1-CB 3.94Å; V99-L114 HydrophobicContact CG1-CD1 3.71Å; V99-L114 HydrophobicContact CG2-CB 4.3Å; V99-L114 HydrophobicContact CG2-CD1 4.5Å; L101-L114 HydrophobicContact CD2-CD1 4.09Å; L101-L114 HydrophobicContact CD2-CD2 4.1Å; M112-L114 HydrophobicContact CG-CD2 4.15Å; M112-L114 HydrophobicContact SD-CD2 3.96Å; L114-K121 CarbonylContact O-C 3.57Å; L114-K121 VanDerWaalsContact O-CA 3.23Å; L114-K121 WeakPolarHBondContact O-CA 3.43Å; L114-L122 PolarHBondContact N-O 2.85Å; L114-L122 PolarHBondContact O-N 3.45Å; L114-I124 HydrophobicContact CD1-CD1 3.57Å; L114-I124 HydrophobicContact CD1-CG1 4.32Å; L114-I124 HydrophobicContact CG-CD1 4.1Å; L114-I124 HydrophobicContact CG-CG1 4.35Å; L114-L326 HydrophobicContact CD2-CD2 4.44Å
115E92Very high89.2Confident93 Ų9345.7 Ų45.744%0.43522%0.219SC..EExtended strand (participates in β ladder)trans-75.7130.1170.9-59.8-72.4153.200109.6V99 K121V99-E115 WeakPolarHBondContact CG2-O 3.5Å; E115-K121 VanDerWaalsContact OE1-CE 3.24Å; E115-K121 WeakPolarHBondContact OE1-CE 3.43Å; E115-K121 IonicContact OE1-NZ 3.44Å; E115-K121 PolarHBondContact OE1-NZ 3.49Å; E115-K121 VanDerWaalsContact OE2-CE 3.26Å; E115-K121 WeakPolarHBondContact OE2-CE 3.32Å; E115-K121 IonicContact OE2-NZ 3.39Å; E115-K121 PolarHBondContact OE2-NZ 2.99Å
116L92Very high89.6Confident8 Ų843 Ų434%0.04220%0.204CC..PPolyproline II helixtrans-100.7135.1-179.1-59.9167.1000111.3L18 V84 A97 V99 P118 Q119 G120 L122L18-L116 HydrophobicContact CD2-CD1 3.75Å; V84-L116 HydrophobicContact CG2-CD1 3.83Å; V84-L116 HydrophobicContact CG2-CD2 4.42Å; A97-L116 HydrophobicContact CB-CB 3.73Å; A97-L116 HydrophobicContact CB-CD1 4.3Å; V99-L116 HydrophobicContact CB-CD2 3.95Å; V99-L116 HydrophobicContact CG1-CD2 3.59Å; L116-P118 CarbonylContact O-C 3.5Å; L116-Q119 CarbonylContact O-C 3.5Å; L116-Q119 WeakPolarHBondContact O-CA 3.25Å; L116-Q119 PolarHBondContact O-N 2.83Å; L116-G120 PolarHBondContact N-O 3.04Å; L116-G120 PolarHBondContact O-N 3.49Å; L116-L122 HydrophobicContact CD1-CB 4.2Å; L116-L122 HydrophobicContact CD2-CB 4.24Å; L116-L122 HydrophobicContact CG-CB 4.32Å
117E87.3Confident90Very high74 Ų7445.6 Ų45.635%0.34622%0.218SC..BIsolated β-bridgetrans-90.2133.5171.4-67.1-163.3168.600111.6A97 I98 K174 V225A97-E117 CarbonylContact C-O 3.48Å; A97-E117 WeakPolarHBondContact CA-O 3.24Å; A97-E117 WeakPolarHBondContact CB-O 3.27Å; I98-E117 PolarHBondContact N-O 2.85Å; I98-E117 PolarHBondContact O-N 2.85Å; E117-K174 IonicContact OE2-NZ 2.67Å; E117-K174 PolarHBondContact OE2-NZ 3.33Å; E117-V225 HydrophobicContact CG-CG1 4.28Å; E117-V225 WeakPolarHBondContact OE1-CG1 3.3Å
118P87Confident90.4Very high28 Ų2842 Ų4218%0.18221%0.206CC..SBendcis-87.1-22.97.135-37000114.5L116 V205L116-P118 CarbonylContact O-C 3.5Å; P118-V205 HydrophobicContact CB-CG1 3.84Å; P118-V205 HydrophobicContact CB-CG2 4.06Å; P118-V205 HydrophobicContact CG-CG1 4.29Å; P118-V205 HydrophobicContact CG-CG2 3.96Å
119Q88.3Confident90.9Very high41 Ų4140.4 Ų40.419%0.19221%0.211CC..SBendtrans-152.8137.2169.9-178.1178.5-16.200110.6E17 L116E17-Q119 HydrophobicContact CB-CG 4.41Å; E17-Q119 PolarHBondContact O-NE2 3.38Å; E17-Q119 VanDerWaalsContact O-NE2 3.16Å; E17-Q119 PolarHBondContact OE2-NE2 2.74Å; L116-Q119 CarbonylContact O-C 3.5Å; L116-Q119 WeakPolarHBondContact O-CA 3.25Å; L116-Q119 PolarHBondContact O-N 2.83Å
120G92.4Very high91.2Very high3 Ų341.3 Ų41.33%0.03122%0.22CC..  trans151.9173.9168.200000109.3A16 L116A16-G120 CarbonylContact O-C 3.49Å; A16-G120 WeakPolarHBondContact O-CA 3.11Å; L116-G120 PolarHBondContact N-O 3.04Å; L116-G120 PolarHBondContact O-N 3.49Å
121K95.2Very high91.2Very high55 Ų5541 Ų4124%0.23923%0.225CC..EExtended strand (participates in β ladder)trans-137.8147167.1-49.2-169.7-176-147.10109.7A15 A16 E17 W113 L114 E115A15-K121 CarbonylContact C-O 3.56Å; A15-K121 WeakPolarHBondContact CA-O 3.4Å; A15-K121 VanDerWaalsContact CB-O 3.24Å; A15-K121 WeakPolarHBondContact CB-O 3.23Å; A16-K121 PolarHBondContact N-O 3.1Å; A16-K121 PolarHBondContact O-N 3.47Å; E17-K121 WeakPolarHBondContact OE1-CE 3.26Å; W113-K121 HydrophobicContact CD2-CB 4.48Å; W113-K121 HydrophobicContact CE3-CB 3.49Å; W113-K121 VanDerWaalsContact CE3-CB 3.49Å; W113-K121 HydrophobicContact CZ3-CB 3.83Å; L114-K121 CarbonylContact O-C 3.57Å; L114-K121 VanDerWaalsContact O-CA 3.23Å; L114-K121 WeakPolarHBondContact O-CA 3.43Å; E115-K121 VanDerWaalsContact OE1-CE 3.24Å; E115-K121 WeakPolarHBondContact OE1-CE 3.43Å; E115-K121 IonicContact OE1-NZ 3.44Å; E115-K121 PolarHBondContact OE1-NZ 3.49Å; E115-K121 VanDerWaalsContact OE2-CE 3.26Å; E115-K121 WeakPolarHBondContact OE2-CE 3.32Å; E115-K121 IonicContact OE2-NZ 3.39Å; E115-K121 PolarHBondContact OE2-NZ 2.99Å
122L96.1Very high90.8Very high0 Ų041.7 Ų41.70%022%0.221CC..EExtended strand (participates in β ladder)trans-122.9123.9177-170.671.4000109.5I12 A15 V43 W66 F82 W113 L114 L116 I124I12-L122 HydrophobicContact CG2-CD1 4.08Å; A15-L122 HydrophobicContact CB-CD1 3.93Å; V43-L122 HydrophobicContact CG1-CD2 4.24Å; V43-L122 HydrophobicContact CG2-CD1 4.01Å; W66-L122 HydrophobicContact CE3-CD1 4.48Å; W66-L122 HydrophobicContact CH2-CD1 4.43Å; W66-L122 HydrophobicContact CZ3-CD1 3.72Å; F82-L122 HydrophobicContact CB-CD2 4.08Å; F82-L122 HydrophobicContact CD1-CD2 3.93Å; F82-L122 HydrophobicContact CG-CD2 4.15Å; W113-L122 WeakPolarHBondContact CA-O 2.93Å; L114-L122 PolarHBondContact N-O 2.85Å; L114-L122 PolarHBondContact O-N 3.45Å; L116-L122 HydrophobicContact CD1-CB 4.2Å; L116-L122 HydrophobicContact CD2-CB 4.24Å; L116-L122 HydrophobicContact CG-CB 4.32Å; L122-I124 HydrophobicContact CD2-CG2 3.73Å; L122-I124 HydrophobicContact CG-CG2 3.76Å
123L96.9Very high90.2Very high27 Ų2743.5 Ų43.514%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-91.6117.4174.7-179.459.3000109.6Y13 E14 D111 M112 W113Y13-L123 HydrophobicContact CD2-CG 4.09Å; Y13-L123 HydrophobicContact CG-CD2 4.25Å; Y13-L123 HydrophobicContact CG-CG 4.18Å; Y13-L123 PolarHBondContact N-O 2.84Å; E14-L123 HydrophobicContact CG-CB 4.02Å; E14-L123 HydrophobicContact CG-CD2 4.15Å; E14-L123 PolarHBondContact O-N 3.05Å; D111-L123 HydrophobicContact CB-CD1 4.33Å; M112-L123 WeakPolarHBondContact O-CA 3.29Å; W113-L123 HydrophobicContact CD2-CB 3.95Å; W113-L123 HydrophobicContact CD2-CD1 4.17Å; W113-L123 HydrophobicContact CE3-CB 3.8Å; W113-L123 HydrophobicContact CG-CD1 4.24Å; W113-L123 HydrophobicContact CH2-CB 3.81Å; W113-L123 HydrophobicContact CH2-CD2 4.5Å; W113-L123 HydrophobicContact CZ2-CB 3.92Å; W113-L123 HydrophobicContact CZ2-CD2 3.98Å; W113-L123 HydrophobicContact CZ2-CG 4.38Å; W113-L123 HydrophobicContact CZ3-CB 3.74Å
124I94.9Very high89.4Confident0 Ų045.7 Ų45.70%025%0.25CS..EExtended strand (participates in β ladder)trans-134.6162.8179.368.5174.7000112.4R11 F82 M112 L114 L122 I126R11-I124 CarbonylContact O-C 3.59Å; R11-I124 WeakPolarHBondContact O-CA 3.43Å; R11-I124 WeakPolarHBondContact O-CB 3.47Å; F82-I124 HydrophobicContact CE1-CD1 4.03Å; F82-I124 HydrophobicContact CE2-CD1 3.84Å; F82-I124 HydrophobicContact CZ-CD1 3.46Å; F82-I124 VanDerWaalsContact CZ-CD1 3.46Å; M112-I124 HydrophobicContact CG-CG1 3.96Å; M112-I124 PolarHBondContact N-O 2.83Å; M112-I124 PolarHBondContact O-N 3.25Å; L114-I124 HydrophobicContact CD1-CD1 3.57Å; L114-I124 HydrophobicContact CD1-CG1 4.32Å; L114-I124 HydrophobicContact CG-CD1 4.1Å; L114-I124 HydrophobicContact CG-CG1 4.35Å; L122-I124 HydrophobicContact CD2-CG2 3.73Å; L122-I124 HydrophobicContact CG-CG2 3.76Å; I124-I126 HydrophobicContact CD1-CD1 3.66Å; I124-I126 HydrophobicContact CD1-CG1 3.75Å; I124-I126 HydrophobicContact CG1-CG1 4.37Å
125R94.6Very high88.1Confident73 Ų7350.6 Ų50.628%0.27527%0.273SS..EExtended strand (participates in β ladder)trans-119.6145.5156.4-174.1-177.6-60-156.7-3.4109.1I10 R11 Y13 G109 D111 D127I10-R125 WeakPolarHBondContact CA-O 3.36Å; R11-R125 HydrophobicContact CB-CB 4.22Å; R11-R125 PolarHBondContact N-O 3.35Å; R11-R125 PolarHBondContact O-N 3.24Å; Y13-R125 HydrophobicContact CE2-CB 4.09Å; Y13-R125 PolarHBondContact OH-NH2 3.03Å; G109-R125 PolarHBondContact O-NE 2.98Å; D111-R125 IonicContact OD1-CZ 3.91Å; D111-R125 IonicContact OD1-NE 2.83Å; D111-R125 PolarHBondContact OD1-NE 3.08Å; D111-R125 IonicContact OD1-NH2 2.85Å; D111-R125 PolarHBondContact OD1-NH2 3.26Å; D111-R125 IonicContact OD2-CZ 2.65Å; D111-R125 IonicContact OD2-NH2 3.2Å; D111-R125 PolarHBondContact OD2-NH2 3.04Å; R125-D127 VanDerWaalsContact CD-OD2 3.29Å; R125-D127 WeakPolarHBondContact CD-OD2 3.44Å
126I92.8Very high86.7Confident0 Ų049.7 Ų49.70%028%0.275CS..EExtended strand (participates in β ladder)trans-125.2127.3173.5-54167.2000108.8L8 N9 I10 L80 F82 L101 V106 F108 G109 I124 L128L8-I126 HydrophobicContact CD1-CG2 3.77Å; N9-I126 WeakPolarHBondContact O-CA 3.44Å; I10-I126 HydrophobicContact CG1-CG1 4.28Å; I10-I126 HydrophobicContact CG1-CG2 4.32Å; L80-I126 HydrophobicContact CD1-CD1 3.67Å; F82-I126 HydrophobicContact CZ-CD1 4.45Å; L101-I126 HydrophobicContact CD2-CD1 3.76Å; V106-I126 HydrophobicContact CG1-CB 3.74Å; V106-I126 HydrophobicContact CG1-CD1 3.76Å; V106-I126 HydrophobicContact CG1-CG1 4.35Å; V106-I126 HydrophobicContact CG1-CG2 3.79Å; V106-I126 HydrophobicContact CG2-CD1 3.95Å; F108-I126 WeakPolarHBondContact CA-O 3.24Å; G109-I126 PolarHBondContact N-O 2.86Å; I124-I126 HydrophobicContact CD1-CD1 3.66Å; I124-I126 HydrophobicContact CD1-CG1 3.75Å; I124-I126 HydrophobicContact CG1-CG1 4.37Å; I126-L128 HydrophobicContact CG2-CD2 4.1Å; I126-L128 HydrophobicContact CG2-CG 4.35Å
127D91Very high85.2Confident64 Ų6452 Ų5234%0.34229%0.291SS..EExtended strand (participates in β ladder)trans-124.6111177.6-70.3-58.8000109.7N9 G109 R125N9-D127 HydrophobicContact CB-CB 4.29Å; N9-D127 PolarHBondContact N-O 2.71Å; N9-D127 PolarHBondContact ND2-O 2.73Å; N9-D127 PolarHBondContact O-N 3.2Å; G109-D127 WeakPolarHBondContact CA-OD1 3.45Å; G109-D127 PolarHBondContact N-OD1 2.65Å; G109-D127 VanDerWaalsContact N-OD1 3.08Å; R125-D127 VanDerWaalsContact CD-OD2 3.29Å; R125-D127 WeakPolarHBondContact CD-OD2 3.44Å
128L87.1Confident83.5Confident31 Ų3158.1 Ų58.116%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-99.5131.5179.5-65.8-165.5000111.8F4 L8 L103 F108 I126F4-L128 HydrophobicContact CD1-CD1 4.1Å; F4-L128 HydrophobicContact CD1-CD2 4.4Å; F4-L128 HydrophobicContact CD2-CD1 3.81Å; F4-L128 HydrophobicContact CE1-CB 4.43Å; F4-L128 HydrophobicContact CE1-CD1 4.19Å; F4-L128 HydrophobicContact CE1-CD2 3.93Å; F4-L128 HydrophobicContact CE1-CG 4.42Å; F4-L128 HydrophobicContact CE2-CB 3.79Å; F4-L128 HydrophobicContact CE2-CD1 3.9Å; F4-L128 HydrophobicContact CE2-CG 4.33Å; F4-L128 HydrophobicContact CG-CD1 3.91Å; F4-L128 HydrophobicContact CZ-CB 3.73Å; F4-L128 HydrophobicContact CZ-CD1 4.09Å; F4-L128 HydrophobicContact CZ-CD2 4.08Å; F4-L128 HydrophobicContact CZ-CG 4.18Å; L8-L128 HydrophobicContact CB-CD2 4.11Å; L8-L128 HydrophobicContact CD1-CD2 3.38Å; L8-L128 HydrophobicContact CG-CD2 4.38Å; L103-L128 HydrophobicContact CD2-CD1 4.25Å; F108-L128 HydrophobicContact CD1-CB 4.11Å; F108-L128 HydrophobicContact CD1-CD1 4.4Å; F108-L128 HydrophobicContact CD1-CG 3.99Å; F108-L128 HydrophobicContact CE1-CB 3.81Å; F108-L128 HydrophobicContact CE1-CD1 3.41Å; F108-L128 VanDerWaalsContact CE1-CD1 3.41Å; F108-L128 HydrophobicContact CE1-CG 3.48Å; F108-L128 VanDerWaalsContact CE1-CG 3.48Å; F108-L128 HydrophobicContact CZ-CB 4.26Å; F108-L128 HydrophobicContact CZ-CD1 3.8Å; F108-L128 HydrophobicContact CZ-CG 4.21Å; I126-L128 HydrophobicContact CG2-CD2 4.1Å; I126-L128 HydrophobicContact CG2-CG 4.35Å
129A87.7Confident81.6Confident61 Ų6163.3 Ų63.350%0.50434%0.337SS..EExtended strand (participates in β ladder)trans-126.699.2172.200000109.8T7T7-A129 PolarHBondContact N-O 3.48Å; T7-A129 PolarHBondContact O-N 3.25Å
130G86.7Confident79Confident51 Ų5172.8 Ų72.853%0.52637%0.371SS..EExtended strand (participates in β ladder)trans175.7-166.3-172.200000113.7S5S5-G130 CarbonylContact O-C 3.6Å; S5-G130 VanDerWaalsContact O-CA 3.24Å; S5-G130 WeakPolarHBondContact O-CA 3.1Å
131T84.5Confident76.2Confident89 Ų8977.9 Ų77.955%0.54640%0.403SS..EExtended strand (participates in β ladder)trans-102.1147.7175.752.60000111.3F4 S5F4-T131 WeakPolarHBondContact CA-O 3.38Å; F4-T131 VanDerWaalsContact CD2-O 3.26Å; F4-T131 WeakPolarHBondContact CD2-O 3.42Å; S5-T131 PolarHBondContact N-O 2.86Å; S5-T131 PolarHBondContact O-N 3.06Å
132R84.7Confident73.1Confident96 Ų9678.3 Ų78.336%0.36242%0.423SS..EExtended strand (participates in β ladder)trans-110.6137.5168-76167.9142.9-141.37108.5E2 Y3 F4 L103E2-R132 VanDerWaalsContact CD-CZ 3.46Å; E2-R132 HydrophobicContact CG-CB 4.2Å; E2-R132 HydrophobicContact CG-CG 4.33Å; E2-R132 WeakPolarHBondContact OE1-CD 3.26Å; E2-R132 IonicContact OE1-CZ 3.62Å; E2-R132 VanDerWaalsContact OE1-CZ 3.26Å; E2-R132 IonicContact OE1-NE 2.89Å; E2-R132 PolarHBondContact OE1-NE 2.83Å; E2-R132 IonicContact OE1-NH1 3.23Å; E2-R132 PolarHBondContact OE1-NH1 2.92Å; E2-R132 IonicContact OE2-CZ 3.68Å; E2-R132 VanDerWaalsContact OE2-CZ 3.23Å; E2-R132 IonicContact OE2-NE 3.77Å; E2-R132 IonicContact OE2-NH1 2.76Å; E2-R132 PolarHBondContact OE2-NH1 3.28Å; E2-R132 IonicContact OE2-NH2 2.74Å; Y3-R132 CarbonylContact O-C 3.58Å; Y3-R132 WeakPolarHBondContact O-CA 3.3Å; F4-R132 HydrophobicContact CD2-CG 3.98Å; L103-R132 PolarHBondContact O-NH2 3.35Å
133T78.5Confident69.9Low50 Ų5087.8 Ų87.831%0.30747%0.465SS..EExtended strand (participates in β ladder)trans-138.4137-178.856.20000110.7Y3Y3-T133 WeakPolarHBondContact CD2-O 3.27Å; Y3-T133 PolarHBondContact N-O 2.65Å; Y3-T133 PolarHBondContact O-N 3.01Å
134D76.4Confident66.8Low116 Ų11692.8 Ų92.862%0.6250%0.499SS*.SBendtrans-86.4-15.4171.4-103.6-57.8000113.5M1M1-D134 VanDerWaalsContact C-OD1 3.25Å; M1-D134 PolarHBondContact N-OD1 3.46Å; M1-D134 WeakPolarHBondContact O-CA 3.18Å
135E65.2Low63.6Low102 Ų10297.3 Ų97.348%0.47753%0.531SS..SBendtrans-75.7134.1174.1-65.4-159.8167.200111.1Y3 R138Y3-E135 VanDerWaalsContact CD2-O 3.3Å; Y3-E135 WeakPolarHBondContact CD2-O 3.15Å; E135-R138 IonicContact OE1-CZ 3.39Å; E135-R138 IonicContact OE1-NH2 3.88Å; E135-R138 PolarHBondContact OE1-NH2 3.1Å; E135-R138 IonicContact OE2-CZ 3.1Å; E135-R138 IonicContact OE2-NE 3.37Å; E135-R138 PolarHBondContact OE2-NE 2.89Å; E135-R138 IonicContact OE2-NH2 2.72Å; E135-R138 PolarHBondContact OE2-NH2 3.24Å
136P61.1Low60.7Low74 Ų74105 Ų10548%0.48156%0.56SS.*PPolyproline II helixtrans-69.5162.5168.132.2-35.6000111Y3 R138Y3-P136 HydrophobicContact CE2-CB 4.01Å; P136-R138 PolarHBondContact O-N 2.83Å; P136-R138 VanDerWaalsContact O-N 3.14Å
137P61.3Low57.7Low58 Ų58111.6 Ų111.638%0.37760%0.595SS.*PPolyproline II helixtrans-51.3120.8170.5-25.634.3000111.2Y76 D139Y76-P137 HydrophobicContact CD1-CG 3.88Å; Y76-P137 HydrophobicContact CD2-CG 4.02Å; Y76-P137 HydrophobicContact CE1-CG 4.28Å; Y76-P137 HydrophobicContact CE2-CG 4.4Å; Y76-P137 HydrophobicContact CG-CG 3.73Å; P137-D139 VanDerWaalsContact C-N 3.27Å; P137-D139 PolarHBondContact O-N 2.79Å
138R51Low54.8Low202 Ų202114.4 Ų114.476%0.76262%0.62SS**SBendtrans-73-19.9-175.8-70.3-173.4176-144.91.9113.6E135 P136E135-R138 IonicContact OE1-CZ 3.39Å; E135-R138 IonicContact OE1-NH2 3.88Å; E135-R138 PolarHBondContact OE1-NH2 3.1Å; E135-R138 IonicContact OE2-CZ 3.1Å; E135-R138 IonicContact OE2-NE 3.37Å; E135-R138 PolarHBondContact OE2-NE 2.89Å; E135-R138 IonicContact OE2-NH2 2.72Å; E135-R138 PolarHBondContact OE2-NH2 3.24Å; P136-R138 PolarHBondContact O-N 2.83Å; P136-R138 VanDerWaalsContact O-N 3.14Å
139D47.6Very low52.3Low136 Ų136117.6 Ų117.673%0.72765%0.651SS**  trans-105.7131.5169-68.3-64.2000110P137 P141P137-D139 VanDerWaalsContact C-N 3.27Å; P137-D139 PolarHBondContact O-N 2.79Å; D139-P141 WeakPolarHBondContact O-CD 3.12Å
140R34.2Very low49.5Very low241 Ų241123.2 Ų123.291%0.90967%0.67SS**  trans-113.987.5168.5-170.7-173.5-164.6-1645.3108.6G142R140-G142 PolarHBondContact O-N 2.71Å
141P32.9Very low46.8Very low110 Ų110124.6 Ų124.671%0.71468%0.684SS**  trans-52.7141.2165.1-22.533.3000109.7D139D139-P141 WeakPolarHBondContact O-CD 3.12Å
142G29.2Very low44.1Very low64 Ų64123.9 Ų123.966%0.6670%0.695SS**  trans-60.6167.6162.200000110.8R140R140-G142 PolarHBondContact O-N 2.71Å
143F29.3Very low41.5Very low198 Ų198125.4 Ų125.487%0.86872%0.715SS**SBendtrans-25.1124.9177.7-86.1-101.1000114.5S145F143-S145 PolarHBondContact O-N 3.37Å
144P31.2Very low39Very low132 Ų132132.3 Ų132.386%0.85774%0.743SS**  trans-58.4108.4178.6-24.534.2000111.8
145S28.5Very low36.7Very low96 Ų96129.3 Ų129.367%0.67174%0.739SS**  trans-64.1144.8172.9-171.20000110.5F143 D147F143-S145 PolarHBondContact O-N 3.37Å; S145-D147 VanDerWaalsContact C-N 3.26Å; S145-D147 PolarHBondContact O-N 2.92Å; S145-D147 VanDerWaalsContact O-N 3.16Å
146R33.8Very low35Very low234 Ų234134.3 Ų134.388%0.88376%0.76SS**SBendtrans-81.54.2-158.2-165.5167.2168.5166.4-2.6114.8
147D30.8Very low33.5Very low139 Ų139139.1 Ų139.174%0.74378%0.775SS**  trans-106.628.8-159.5-62.4-44.1000115.8S145S145-D147 VanDerWaalsContact C-N 3.26Å; S145-D147 PolarHBondContact O-N 2.92Å; S145-D147 VanDerWaalsContact O-N 3.16Å
148S30.3Very low31.9Very low122 Ų122146.4 Ų146.485%0.85380%0.797SS**  trans-128.238.1-175.2-69.70000115.2
149A33.2Very low30.8Very low99 Ų99147.6 Ų147.682%0.81880%0.801SS**  trans-123.935.617800000114.1
150I30Very low30Very low178 Ų178146.9 Ų146.991%0.91381%0.806SS**  trans-108.999.7172.6-58.3179.6000109.8
151G29.4Very low30Very low80 Ų80138.5 Ų138.583%0.82579%0.794SS**  trans135.4123.8163.400000115.3
152G27Very low30.1Very low74 Ų74137.3 Ų137.376%0.76379%0.793SS**  trans140.278.9158.200000118.6
153V29.9Very low30.6Very low128 Ų128136.6 Ų136.678%0.77677%0.774SS**  trans53.4100.7137.9-172.30000119.2
154H26.8Very low31.7Very low195 Ų195130.2 Ų130.290%0.90374%0.744SS**  trans48.377.1139.6-59.796.3000119.8
155G29.2Very low33.2Very low53 Ų53126.4 Ų126.455%0.54671%0.713SS.*  trans-129.8140.8156.700000111.3H157G155-H157 VanDerWaalsContact C-N 3.31Å; G155-H157 PolarHBondContact O-N 2.92Å
156K28.7Very low35.3Very low208 Ų208127.9 Ų127.990%0.90470%0.704SS**  trans-78.376.6175.9-74.1-175.4178.11790110.9Y158K156-Y158 PolarHBondContact O-N 3.34Å
157H29.5Very low37.7Very low174 Ų174117.6 Ų117.681%0.80667%0.666SS**  trans-71108.4175.2-75.3-91.8000111.1G155 R159G155-H157 VanDerWaalsContact C-N 3.31Å; G155-H157 PolarHBondContact O-N 2.92Å; H157-R159 PolarHBondContact O-N 2.89Å
158Y28.3Very low40.3Very low212 Ų212112.8 Ų112.883%0.83164%0.639SS**  trans-62.6127.4162.7-84-105.2000109.2K156 C160K156-Y158 PolarHBondContact O-N 3.34Å; Y158-C160 PolarHBondContact O-N 3.28Å
159R26.3Very low42.9Very low227 Ų227109.9 Ų109.986%0.85761%0.612SS**  trans-81.5103.4168.8-76.8179.4163.1-166.3-9.1108.9H157H157-R159 PolarHBondContact O-N 2.89Å
160C32.1Very low45.1Very low121 Ų121105.8 Ų105.882%0.81858%0.578SS**  trans-149.3138.2174.2-77.10000111.5Y158Y158-C160 PolarHBondContact O-N 3.28Å
161G34.3Very low47.4Very low64 Ų6498.6 Ų98.666%0.6654%0.54SS*.  trans113.920.1155.500000119.2L163G161-L163 PolarHBondContact O-N 2.79Å
162A33.4Very low50Low85 Ų8595.5 Ų95.570%0.70251%0.508SS*.THydrogen-bonded Turntrans-79.8-8.8-16700000117E659A162-E659 WeakPolarHBondContact CB-OE2 3.46Å
163L40.5Very low53Low49 Ų4992.1 Ų92.126%0.25747%0.472SS..THydrogen-bonded Turntrans-110.215.5-179.1-130.999000116.8P91 P92 G161 R165 E659P91-L163 HydrophobicContact CB-CB 3.77Å; P91-L163 HydrophobicContact CB-CD2 4.04Å; P92-L163 HydrophobicContact CB-CD2 4.44Å; G161-L163 PolarHBondContact O-N 2.79Å; L163-R165 PolarHBondContact O-N 3.42Å; L163-R165 VanDerWaalsContact O-N 3.07Å; L163-E659 WeakPolarHBondContact CD1-OE1 3.31Å
164R52.6Low55.9Low65 Ų6586.1 Ų86.125%0.24544%0.436CS..  trans-65.8106.5169.1176.8-171.7162.1-150.72.6109.8T44 D46 T83 Y85T44-R164 PolarHBondContact OG1-NH1 3.44Å; T44-R164 PolarHBondContact OG1-NH2 2.67Å; D46-R164 IonicContact OD1-CZ 3.81Å; D46-R164 IonicContact OD1-NH1 2.77Å; D46-R164 PolarHBondContact OD1-NH1 3.13Å; D46-R164 IonicContact OD1-NH2 3.2Å; D46-R164 IonicContact OD2-CZ 2.76Å; D46-R164 IonicContact OD2-NH1 3.65Å; D46-R164 PolarHBondContact OD2-NH1 3.44Å; D46-R164 IonicContact OD2-NH2 2.75Å; D46-R164 PolarHBondContact OD2-NH2 3.31Å; T83-R164 PolarHBondContact OG1-NH2 2.92Å; Y85-R164 HydrophobicContact CE1-CG 4.12Å; Y85-R164 HydrophobicContact CE2-CG 4.11Å; Y85-R164 VanDerWaalsContact CZ-NE 3.27Å; Y85-R164 PolarHBondContact OH-NE 2.87Å
165R62.6Low58.9Low52 Ų5276.8 Ų76.820%0.19639%0.393CS..PPolyproline II helixtrans-73.6127.5176.6-58.3-175.8-173.8162.71.3110.7P92 L163 Q176 V177P92-R165 HydrophobicContact CB-CG 4.05Å; L163-R165 PolarHBondContact O-N 3.42Å; L163-R165 VanDerWaalsContact O-N 3.07Å; R165-Q176 HydrophobicContact CB-CG 3.79Å; R165-V177 WeakPolarHBondContact CD-O 3.18Å; R165-V177 PolarHBondContact NH1-O 3.07Å
166R73.1Confident61.7Low126 Ų12674.6 Ų74.648%0.47537%0.368SS..PPolyproline II helixtrans-56.9144.1179.9-173.1179.6-73.7-155.81.5111.5D49 H168D49-R166 PolarHBondContact O-NH2 3.43Å; D49-R166 IonicContact OD2-CZ 3.72Å; D49-R166 IonicContact OD2-NH1 2.76Å; D49-R166 PolarHBondContact OD2-NH1 3.04Å; R166-H168 PolarHBondContact O-CD2 3.45Å
167I84.6Confident64.3Low19 Ų1965.7 Ų65.710%0.09733%0.331CS..EExtended strand (participates in β ladder)trans-95.6116.2174.6-57.9-62.7000109.1F95 K174 F175 Q176F95-I167 HydrophobicContact CB-CD1 4.01Å; F95-I167 HydrophobicContact CD2-CD1 3.52Å; F95-I167 HydrophobicContact CD2-CG1 3.58Å; F95-I167 HydrophobicContact CE2-CD1 4.21Å; F95-I167 HydrophobicContact CE2-CG1 3.91Å; F95-I167 HydrophobicContact CE2-CG2 4.28Å; F95-I167 HydrophobicContact CG-CD1 3.88Å; F95-I167 HydrophobicContact CG-CG1 4.43Å; I167-K174 HydrophobicContact CG2-CB 3.77Å; I167-K174 HydrophobicContact CG2-CD 4.13Å; I167-F175 CarbonylContact C-O 3.51Å; I167-F175 WeakPolarHBondContact CA-O 3.26Å; I167-Q176 HydrophobicContact CD1-CB 3.81Å; I167-Q176 HydrophobicContact CD1-CG 3.88Å
168H85.3Confident66.6Low38 Ų3858.2 Ų58.218%0.17630%0.298CS..EExtended strand (participates in β ladder)trans-95124.4177-59.9-97.1000109.4R166 F175 Y201 Y215R166-H168 PolarHBondContact O-CD2 3.45Å; H168-F175 HydrophobicContact CB-CB 4.32Å; H168-F175 PolarHBondContact N-O 3.2Å; H168-F175 WeakPolarHBondContact O-CB 3.24Å; H168-F175 PolarHBondContact O-N 3.16Å; H168-Y201 HydrophobicContact CB-CD2 4.27Å; H168-Y201 HydrophobicContact CB-CE2 3.78Å; H168-Y201 AromaticContact CD2-CE2 3.61Å; H168-Y201 AromaticContact CD2-CZ 3.74Å; H168-Y201 PolarHBondContact CE1-OH 2.93Å; H168-Y201 VanDerWaalsContact CE1-OH 3.31Å; H168-Y201 AromaticContact CG-CE2 3.5Å; H168-Y201 VanDerWaalsContact CG-CE2 3.5Å; H168-Y201 AromaticContact CG-CZ 3.99Å; H168-Y201 AromaticContact ND1-CE2 3.97Å; H168-Y201 AromaticContact NE2-CZ 3.84Å; H168-Y201 PolarHBondContact NE2-OH 3.45Å; H168-Y215 HydrophobicContact CB-CD2 4.29Å; H168-Y215 HydrophobicContact CB-CE2 3.78Å
169Q84.3Confident68.7Low61 Ų6148.9 Ų48.929%0.28526%0.264SS..EExtended strand (participates in β ladder)trans-97.2129.9-175-59.8-133.948.400112.1E100 H173 K174E100-Q169 PolarHBondContact OE1-NE2 2.97Å; E100-Q169 PolarHBondContact OE2-NE2 3.08Å; Q169-H173 WeakPolarHBondContact CA-O 3.19Å; Q169-K174 HydrophobicContact CG-CD 4.23Å; Q169-K174 VanDerWaalsContact OE1-CD 3.23Å
170A78.8Confident70.9Confident12 Ų1239 Ų3910%0.09923%0.227CC..EExtended strand (participates in β ladder)trans-150.8120.6169.600000111.3G172 H173 F175 Y215A170-G172 VanDerWaalsContact C-N 3.29Å; A170-G172 PolarHBondContact O-N 3.08Å; A170-H173 PolarHBondContact N-O 2.75Å; A170-H173 WeakPolarHBondContact O-CA 3.38Å; A170-H173 WeakPolarHBondContact O-CB 3.47Å; A170-H173 PolarHBondContact O-CD2 2.76Å; A170-H173 PolarHBondContact O-N 2.79Å; A170-F175 HydrophobicContact CB-CD2 4.44Å; A170-F175 HydrophobicContact CB-CE2 4.27Å; A170-Y215 HydrophobicContact CB-CD2 4.04Å
171K79.3Confident72.4Confident28 Ų2838.8 Ų38.812%0.12221%0.209CC..THydrogen-bonded Turntrans48.846.8-179.3-43.8-54.9177-1690113.4H173 V218 T220 Q221 C222 P313 S314 L316K171-H173 PolarHBondContact O-N 2.8Å; K171-V218 WeakPolarHBondContact CG-O 3.35Å; K171-T220 WeakPolarHBondContact CB-O 3.26Å; K171-Q221 WeakPolarHBondContact O-CA 3.45Å; K171-Q221 PolarHBondContact O-NE2 2.84Å; K171-Q221 PolarHBondContact O-OE1 2.76Å; K171-Q221 VanDerWaalsContact O-OE1 3.08Å; K171-C222 PolarHBondContact O-N 3.07Å; K171-P313 WeakPolarHBondContact CE-O 3.45Å; K171-P313 PolarHBondContact NZ-O 3.1Å; K171-S314 PolarHBondContact NZ-O 2.98Å; K171-L316 PolarHBondContact NZ-O 3.32Å
172G83.8Confident74.1Confident14 Ų1438.7 Ų38.714%0.14419%0.192CC..THydrogen-bonded Turntrans73.4-17-174.200000115.4A170 K174 V225A170-G172 VanDerWaalsContact C-N 3.29Å; A170-G172 PolarHBondContact O-N 3.08Å; G172-K174 PolarHBondContact O-N 3.4Å; G172-K174 PolarHBondContact O-NZ 3.09Å; G172-K174 VanDerWaalsContact O-NZ 3.08Å; G172-V225 WeakPolarHBondContact O-CG2 3.46Å
173H88.9Confident76.1Confident4 Ų440.9 Ų40.92%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-64.4122.5174.1-67.7-94.5000109.8Q169 A170 K171 F175 C203 C206 T220 C222Q169-H173 WeakPolarHBondContact CA-O 3.19Å; A170-H173 PolarHBondContact N-O 2.75Å; A170-H173 WeakPolarHBondContact O-CA 3.38Å; A170-H173 WeakPolarHBondContact O-CB 3.47Å; A170-H173 PolarHBondContact O-CD2 2.76Å; A170-H173 PolarHBondContact O-N 2.79Å; K171-H173 PolarHBondContact O-N 2.8Å; H173-F175 HydrophobicContact CB-CD2 3.7Å; H173-F175 HydrophobicContact CB-CE2 3.28Å; H173-F175 HydrophobicContact CB-CG 4.5Å; H173-F175 HydrophobicContact CB-CZ 3.75Å; H173-F175 AromaticContact CG-CE2 3.87Å; H173-F175 AromaticContact CG-CZ 3.91Å; H173-F175 PolarHBondContact O-N 3.22Å; H173-C203 HydrophobicContact CB-CB 4.21Å; H173-C203 VanDerWaalsContact CB-SG 3.59Å; H173-C203 PolarHBondContact ND1-SG 3.49Å; H173-C203 VanDerWaalsContact ND1-SG 3.38Å; H173-C206 PolarHBondContact CE1-SG 3.46Å; H173-C206 PolarHBondContact ND1-SG 2.88Å; H173-T220 PolarHBondContact CD2-O 2.75Å; H173-T220 PolarHBondContact NE2-O 3.42Å; H173-C222 HydrophobicContact CB-CB 4.26Å
174K91Very high78.1Confident1 Ų138.7 Ų38.70%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-91.690.2171.4-52.3-63.8-177.5-92.40108.5F95 I98 E117 I167 Q169 G172 C203 Q204 V205F95-K174 HydrophobicContact CE1-CB 3.95Å; F95-K174 HydrophobicContact CE1-CG 3.98Å; F95-K174 HydrophobicContact CZ-CB 3.99Å; F95-K174 HydrophobicContact CZ-CD 4.29Å; F95-K174 HydrophobicContact CZ-CG 3.81Å; I98-K174 HydrophobicContact CG2-CD 3.68Å; E117-K174 IonicContact OE2-NZ 2.67Å; E117-K174 PolarHBondContact OE2-NZ 3.33Å; I167-K174 HydrophobicContact CG2-CB 3.77Å; I167-K174 HydrophobicContact CG2-CD 4.13Å; Q169-K174 HydrophobicContact CG-CD 4.23Å; Q169-K174 VanDerWaalsContact OE1-CD 3.23Å; G172-K174 PolarHBondContact O-N 3.4Å; G172-K174 PolarHBondContact O-NZ 3.09Å; G172-K174 VanDerWaalsContact O-NZ 3.08Å; K174-C203 CarbonylContact O-C 3.56Å; K174-C203 VanDerWaalsContact O-CA 3.27Å; K174-C203 WeakPolarHBondContact O-CA 3.48Å; K174-Q204 PolarHBondContact O-N 2.75Å; K174-V205 HydrophobicContact CB-CG2 4Å; K174-V205 HydrophobicContact CG-CG2 3.68Å
175F90.4Very high79.8Confident0 Ų038.6 Ų38.60%018%0.176CC..EExtended strand (participates in β ladder)trans-85129-178.6-73.9-74000111I167 H168 A170 H173 Y201 Q202 C203 V210 Y215 V218I167-F175 CarbonylContact C-O 3.51Å; I167-F175 WeakPolarHBondContact CA-O 3.26Å; H168-F175 HydrophobicContact CB-CB 4.32Å; H168-F175 PolarHBondContact N-O 3.2Å; H168-F175 WeakPolarHBondContact O-CB 3.24Å; H168-F175 PolarHBondContact O-N 3.16Å; A170-F175 HydrophobicContact CB-CD2 4.44Å; A170-F175 HydrophobicContact CB-CE2 4.27Å; H173-F175 HydrophobicContact CB-CD2 3.7Å; H173-F175 HydrophobicContact CB-CE2 3.28Å; H173-F175 HydrophobicContact CB-CG 4.5Å; H173-F175 HydrophobicContact CB-CZ 3.75Å; H173-F175 AromaticContact CG-CE2 3.87Å; H173-F175 AromaticContact CG-CZ 3.91Å; H173-F175 PolarHBondContact O-N 3.22Å; F175-Y201 HydrophobicContact CB-CD2 3.83Å; F175-Y201 HydrophobicContact CB-CG 4.3Å; F175-Y201 HydrophobicContact CG-CD2 4.43Å; F175-Q202 WeakPolarHBondContact CA-O 3.31Å; F175-C203 HydrophobicContact CD1-CB 3.84Å; F175-C203 HydrophobicContact CE1-CB 3.71Å; F175-C203 HydrophobicContact CG-CB 4.49Å; F175-C203 HydrophobicContact CZ-CB 4.3Å; F175-V210 HydrophobicContact CD1-CG2 4.19Å; F175-V210 HydrophobicContact CE1-CG2 3.67Å; F175-V210 HydrophobicContact CZ-CG2 4.01Å; F175-Y215 HydrophobicContact CD2-CD2 4.14Å; F175-Y215 HydrophobicContact CD2-CG 4.39Å; F175-V218 HydrophobicContact CE2-CG2 4.46Å; F175-V218 HydrophobicContact CZ-CG2 4.13Å
176Q87.1Confident81Confident6 Ų636.2 Ų36.23%0.02817%0.167CC..EExtended strand (participates in β ladder)trans-116.7140.8173.2-165.7174.7-7.800108.6D93 R165 I167 T178 Q202 Q204D93-Q176 PolarHBondContact O-NE2 2.99Å; R165-Q176 HydrophobicContact CB-CG 3.79Å; I167-Q176 HydrophobicContact CD1-CB 3.81Å; I167-Q176 HydrophobicContact CD1-CG 3.88Å; Q176-T178 PolarHBondContact O-N 3.34Å; Q176-T178 PolarHBondContact O-OG1 2.92Å; Q176-Q202 PolarHBondContact N-O 2.87Å; Q176-Q202 PolarHBondContact O-N 2.72Å; Q176-Q204 HydrophobicContact CB-CG 3.77Å; Q176-Q204 VanDerWaalsContact OE1-CD 3.3Å; Q176-Q204 VanDerWaalsContact OE1-CG 3.28Å
177V84.1Confident81.8Confident21 Ų2131.6 Ų31.613%0.12715%0.154CC..EExtended strand (participates in β ladder)trans-63.1130177.8-158.30000109.5R165 N198 Y201R165-V177 WeakPolarHBondContact CD-O 3.18Å; R165-V177 PolarHBondContact NH1-O 3.07Å; V177-N198 HydrophobicContact CG1-CB 3.5Å; V177-N198 VanDerWaalsContact CG1-OD1 3.31Å; V177-N198 WeakPolarHBondContact CG1-OD1 3.18Å; V177-Y201 HydrophobicContact CB-CD1 4.47Å; V177-Y201 HydrophobicContact CB-CE1 4.27Å; V177-Y201 HydrophobicContact CG1-CD1 4.25Å; V177-Y201 HydrophobicContact CG1-CE1 4.01Å; V177-Y201 HydrophobicContact CG2-CD1 4.31Å; V177-Y201 HydrophobicContact CG2-CE1 3.74Å
178T77.1Confident81.9Confident18 Ų1831.5 Ų31.511%0.1115%0.154CC..EExtended strand (participates in β ladder)trans-141.9125.5-166.5-570000111.7Q176 L180 G200 Q202Q176-T178 PolarHBondContact O-N 3.34Å; Q176-T178 PolarHBondContact O-OG1 2.92Å; T178-L180 HydrophobicContact CG2-CD2 3.92Å; T178-G200 PolarHBondContact N-O 3Å; T178-G200 PolarHBondContact O-N 2.85Å; T178-Q202 HydrophobicContact CG2-CB 4.22Å
179S73.2Confident81.8Confident16 Ų1630.6 Ų30.611%0.11215%0.151CC..  trans-67.9123.5162.1-510000109.5E690S179-E690 WeakPolarHBondContact CB-OE1 3.32Å; S179-E690 WeakPolarHBondContact CB-OE2 3.12Å; S179-E690 PolarHBondContact OG-OE1 3.22Å
180L72.3Confident81.7Confident18 Ų1831.9 Ų31.99%0.09416%0.16CC..  trans-102.5100.8-174.6-57.6163.4000109.3T178 Q182 T184 I193 Q199 V209T178-L180 HydrophobicContact CG2-CD2 3.92Å; L180-Q182 PolarHBondContact O-N 2.79Å; L180-T184 HydrophobicContact CD1-CG2 3.92Å; L180-T184 HydrophobicContact CD2-CG2 4.34Å; L180-T184 HydrophobicContact CG-CG2 4.49Å; L180-I193 HydrophobicContact CD1-CB 3.99Å; L180-I193 HydrophobicContact CD1-CD1 3.81Å; L180-I193 HydrophobicContact CD1-CG2 3.72Å; L180-Q199 VanDerWaalsContact CB-OE1 3.32Å; L180-Q199 HydrophobicContact CD1-CB 4.47Å; L180-Q199 VanDerWaalsContact N-OE1 3.1Å; L180-Q199 PolarHBondContact O-OE1 2.78Å; L180-V209 HydrophobicContact CD1-CG1 3.65Å; L180-V209 HydrophobicContact CD2-CG1 3.81Å; L180-V209 HydrophobicContact CD2-CG2 4.49Å; L180-V209 HydrophobicContact CG-CG1 4.39Å
181R63.1Low81.8Confident118 Ų11832.6 Ų32.645%0.44517%0.168SC..SBendtrans-70.420.2-170.2-51.8-179.8178.8173.3-9.6115.2T689 E690R181-T689 VanDerWaalsContact NH1-CB 3.26Å; R181-T689 PolarHBondContact NH1-OG1 3.33Å; R181-E690 HydrophobicContact CG-CB 4.3Å; R181-E690 IonicContact CZ-OE2 2.69Å; R181-E690 IonicContact NE-OE2 2.69Å; R181-E690 PolarHBondContact NE-OE2 3.49Å; R181-E690 IonicContact NH2-OE2 2.71Å; R181-E690 PolarHBondContact NH2-OE2 2.91Å
182Q70.4Confident82Confident62 Ų6234.7 Ų34.729%0.2918%0.178SC..SBendtrans-163.5162.9175.468.6-172.9-101.100109.9L180 T184 S264L180-Q182 PolarHBondContact O-N 2.79Å; Q182-T184 WeakPolarHBondContact O-CB 3.26Å; Q182-T184 PolarHBondContact O-N 3.24Å; Q182-T184 PolarHBondContact O-OG1 3.21Å; Q182-S264 VanDerWaalsContact OE1-CB 3.25Å
183F75.5Confident81.7Confident130 Ų13034.1 Ų34.157%0.5717%0.171SC*.  trans-51111.3170.4-67.4-88.2000111.1F192 F258F183-F192 HydrophobicContact CB-CE2 4.14Å; F183-F192 AromaticContact CD1-CE1 3.94Å; F183-F192 HydrophobicContact CD1-CE1 3.94Å; F183-F192 AromaticContact CD1-CE2 3.68Å; F183-F192 HydrophobicContact CD1-CE2 3.68Å; F183-F192 AromaticContact CD1-CZ 3.31Å; F183-F192 HydrophobicContact CD1-CZ 3.31Å; F183-F192 HydrophobicContact CE1-CE1 4.1Å; F183-F192 AromaticContact CE1-CZ 3.76Å; F183-F192 HydrophobicContact CE1-CZ 3.76Å; F183-F192 HydrophobicContact CG-CE2 4.32Å; F183-F192 HydrophobicContact CG-CZ 4.26Å; F183-F258 HydrophobicContact CB-CE1 4.02Å; F183-F258 HydrophobicContact CB-CZ 4.27Å; F183-F258 VanDerWaalsContact O-CE1 3.26Å; F183-F258 WeakPolarHBondContact O-CE1 3.23Å
184T83Confident80.7Confident3 Ų341.3 Ų41.32%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-132.3128.5-170.2-59.40000110L180 Q182 F192 I193 V209 G263L180-T184 HydrophobicContact CD1-CG2 3.92Å; L180-T184 HydrophobicContact CD2-CG2 4.34Å; L180-T184 HydrophobicContact CG-CG2 4.49Å; Q182-T184 WeakPolarHBondContact O-CB 3.26Å; Q182-T184 PolarHBondContact O-N 3.24Å; Q182-T184 PolarHBondContact O-OG1 3.21Å; T184-F192 WeakPolarHBondContact O-CD2 3.36Å; T184-I193 HydrophobicContact CG2-CD1 4.4Å; T184-I193 WeakPolarHBondContact O-CB 3.37Å; T184-I193 WeakPolarHBondContact O-CG1 3.24Å; T184-I193 PolarHBondContact O-N 3.29Å; T184-V209 HydrophobicContact CG2-CB 4.33Å; T184-V209 HydrophobicContact CG2-CG1 4.05Å; T184-G263 WeakPolarHBondContact CA-O 3.46Å
185F87Confident78.9Confident64 Ų6441.7 Ų41.728%0.28120%0.203SC..EExtended strand (participates in β ladder)trans-100144.9-179.4-67.4-94.6000112.3S187 N190 F192 F258 G263F185-S187 PolarHBondContact O-N 3.32Å; F185-N190 WeakPolarHBondContact CD1-O 3.11Å; F185-F192 HydrophobicContact CD1-CB 4.16Å; F185-F192 HydrophobicContact CE1-CB 3.82Å; F185-F192 HydrophobicContact CZ-CB 4.42Å; F185-F258 HydrophobicContact CD2-CB 3.93Å; F185-F258 AromaticContact CD2-CD1 3.84Å; F185-F258 HydrophobicContact CD2-CD1 3.84Å; F185-F258 AromaticContact CD2-CD2 3.95Å; F185-F258 HydrophobicContact CD2-CD2 3.95Å; F185-F258 HydrophobicContact CD2-CE1 4.36Å; F185-F258 HydrophobicContact CD2-CE2 4.47Å; F185-F258 AromaticContact CD2-CG 3.61Å; F185-F258 HydrophobicContact CD2-CG 3.61Å; F185-F258 HydrophobicContact CE2-CB 4.43Å; F185-F258 AromaticContact CE2-CD1 3.87Å; F185-F258 HydrophobicContact CE2-CD1 3.87Å; F185-F258 AromaticContact CE2-CD2 3.56Å; F185-F258 HydrophobicContact CE2-CD2 3.56Å; F185-F258 AromaticContact CE2-CE1 3.98Å; F185-F258 HydrophobicContact CE2-CE1 3.98Å; F185-F258 AromaticContact CE2-CE2 3.68Å; F185-F258 HydrophobicContact CE2-CE2 3.68Å; F185-F258 AromaticContact CE2-CG 3.67Å; F185-F258 HydrophobicContact CE2-CG 3.67Å; F185-F258 AromaticContact CE2-CZ 3.89Å; F185-F258 HydrophobicContact CE2-CZ 3.89Å; F185-F258 HydrophobicContact CZ-CD2 4.48Å; F185-F258 HydrophobicContact CZ-CE2 4.45Å; F185-G263 PolarHBondContact N-O 2.69Å; F185-G263 WeakPolarHBondContact O-CA 3.4Å
186C89.5Confident77Confident1 Ų145 Ų451%0.00722%0.22CC..  trans-73.9121.6178.1171.30000111.2L188 C189 N190 G191 I193 V210 H211C186-L188 PolarHBondContact O-N 2.77Å; C186-L188 VanDerWaalsContact O-N 3.09Å; C186-C189 PolarHBondContact O-N 3.44Å; C186-N190 VanDerWaalsContact O-CA 3.24Å; C186-N190 WeakPolarHBondContact O-CA 3.42Å; C186-N190 PolarHBondContact O-N 3.31Å; C186-G191 PolarHBondContact N-O 3.45Å; C186-I193 HydrophobicContact CB-CD1 3.98Å; C186-I193 HydrophobicContact CB-CG1 3.87Å; C186-V210 VanDerWaalsContact SG-CA 3.58Å; C186-H211 VanDerWaalsContact CB-CE1 3.48Å; C186-H211 WeakPolarHBondContact CB-CE1 3.48Å; C186-H211 VanDerWaalsContact CB-ND1 3.35Å; C186-H211 WeakPolarHBondContact CB-ND1 3.45Å; C186-H211 PolarHBondContact SG-N 2.86Å
187S88.8Confident75.3Confident29 Ų2946.9 Ų46.920%0.20323%0.227CC..THydrogen-bonded Turntrans-62.8-17.2-176.562.40000115.2F185 C208 V209 V210 D260F185-S187 PolarHBondContact O-N 3.32Å; S187-C208 PolarHBondContact OG-SG 2.97Å; S187-V209 PolarHBondContact N-O 3.3Å; S187-V209 PolarHBondContact OG-O 3Å; S187-V210 WeakPolarHBondContact OG-CG1 3.38Å; S187-D260 WeakPolarHBondContact CA-O 3.06Å; S187-D260 WeakPolarHBondContact CB-O 3.38Å
188L86.2Confident74Confident17 Ų1749 Ų499%0.08924%0.237CC..THydrogen-bonded Turntrans-92.9-36.3178.4-176.763.3000113.3C186 V210 C214 N217 V218 R300C186-L188 PolarHBondContact O-N 2.77Å; C186-L188 VanDerWaalsContact O-N 3.09Å; L188-V210 HydrophobicContact CB-CG1 4.31Å; L188-C214 HydrophobicContact CD2-CB 4.09Å; L188-C214 WeakPolarHBondContact CD2-O 3.12Å; L188-N217 HydrophobicContact CD2-CB 3.52Å; L188-N217 WeakPolarHBondContact CD2-O 3.48Å; L188-V218 HydrophobicContact CD2-CG2 4.5Å; L188-R300 WeakPolarHBondContact O-CD 3.21Å; L188-R300 WeakPolarHBondContact O-CG 3.36Å
189C83.7Confident73.7Confident19 Ų1950 Ų5013%0.12824%0.241CC..THydrogen-bonded Turntrans-119.9-3.4-171.980.30000114.2C186 G191 H211 R300C186-C189 PolarHBondContact O-N 3.44Å; C189-G191 PolarHBondContact O-N 2.91Å; C189-G191 PolarHBondContact SG-N 3.14Å; C189-G191 VanDerWaalsContact SG-N 3.43Å; C189-H211 PolarHBondContact SG-CE1 2.75Å; C189-H211 PolarHBondContact SG-ND1 2.85Å; C189-R300 PolarHBondContact O-NH1 3.25Å; C189-R300 PolarHBondContact O-NH2 3.16Å; C189-R300 VanDerWaalsContact O-NH2 3.14Å
190N82.9Confident74.2Confident89 Ų8949.2 Ų49.248%0.47624%0.236SC..  trans49.217.2-175.5-59.923.4000113.9F185 C186F185-N190 WeakPolarHBondContact CD1-O 3.11Å; C186-N190 VanDerWaalsContact O-CA 3.24Å; C186-N190 WeakPolarHBondContact O-CA 3.42Å; C186-N190 PolarHBondContact O-N 3.31Å
191G81.1Confident75Confident26 Ų2649.6 Ų49.627%0.26824%0.236SC..  trans-82.2145.4171.700000109.8C186 C189 H211C186-G191 PolarHBondContact N-O 3.45Å; C189-G191 PolarHBondContact O-N 2.91Å; C189-G191 PolarHBondContact SG-N 3.14Å; C189-G191 VanDerWaalsContact SG-N 3.43Å; G191-H211 PolarHBondContact O-CE1 3.49Å
192F83.1Confident76.3Confident73 Ų7344.6 Ų44.632%0.3222%0.217SC..EExtended strand (participates in β ladder)trans-61.3138.3176.2-179.8-141.6000110.7F183 T184 F185 W194 H211F183-F192 HydrophobicContact CB-CE2 4.14Å; F183-F192 AromaticContact CD1-CE1 3.94Å; F183-F192 HydrophobicContact CD1-CE1 3.94Å; F183-F192 AromaticContact CD1-CE2 3.68Å; F183-F192 HydrophobicContact CD1-CE2 3.68Å; F183-F192 AromaticContact CD1-CZ 3.31Å; F183-F192 HydrophobicContact CD1-CZ 3.31Å; F183-F192 HydrophobicContact CE1-CE1 4.1Å; F183-F192 AromaticContact CE1-CZ 3.76Å; F183-F192 HydrophobicContact CE1-CZ 3.76Å; F183-F192 HydrophobicContact CG-CE2 4.32Å; F183-F192 HydrophobicContact CG-CZ 4.26Å; T184-F192 WeakPolarHBondContact O-CD2 3.36Å; F185-F192 HydrophobicContact CD1-CB 4.16Å; F185-F192 HydrophobicContact CE1-CB 3.82Å; F185-F192 HydrophobicContact CZ-CB 4.42Å; F192-W194 HydrophobicContact CD1-CB 4.1Å; F192-W194 HydrophobicContact CE1-CB 3.85Å; F192-W194 HydrophobicContact CE1-CD2 4.01Å; F192-W194 AromaticContact CE1-CE3 3.5Å; F192-W194 HydrophobicContact CE1-CE3 3.5Å; F192-W194 VanDerWaalsContact CE1-CE3 3.5Å; F192-W194 HydrophobicContact CE1-CG 4.21Å; F192-W194 HydrophobicContact CE1-CZ3 4.28Å; F192-W194 HydrophobicContact CZ-CB 4.29Å; F192-W194 HydrophobicContact CZ-CD2 4.4Å; F192-W194 AromaticContact CZ-CE3 3.54Å; F192-W194 HydrophobicContact CZ-CE3 3.54Å; F192-W194 HydrophobicContact CZ-CZ3 4.24Å; F192-H211 PolarHBondContact O-NE2 2.94Å
193I76.7Confident77.4Confident2 Ų241.6 Ų41.61%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-97115.7175.2-49.4177.5000107.8L180 T184 C186 Q199 V209L180-I193 HydrophobicContact CD1-CB 3.99Å; L180-I193 HydrophobicContact CD1-CD1 3.81Å; L180-I193 HydrophobicContact CD1-CG2 3.72Å; T184-I193 HydrophobicContact CG2-CD1 4.4Å; T184-I193 WeakPolarHBondContact O-CB 3.37Å; T184-I193 WeakPolarHBondContact O-CG1 3.24Å; T184-I193 PolarHBondContact O-N 3.29Å; C186-I193 HydrophobicContact CB-CD1 3.98Å; C186-I193 HydrophobicContact CB-CG1 3.87Å; I193-Q199 VanDerWaalsContact CG2-C 3.48Å; I193-Q199 HydrophobicContact CG2-CB 3.92Å; I193-Q199 WeakPolarHBondContact CG2-O 3.47Å; I193-V209 HydrophobicContact CD1-CG1 3.61Å
194W68.4Low78.1Confident155 Ų15535.7 Ų35.759%0.58718%0.178SC*.  trans-139.3156.5-173.8179.6-102.2000110.7F192F192-W194 HydrophobicContact CD1-CB 4.1Å; F192-W194 HydrophobicContact CE1-CB 3.85Å; F192-W194 HydrophobicContact CE1-CD2 4.01Å; F192-W194 AromaticContact CE1-CE3 3.5Å; F192-W194 HydrophobicContact CE1-CE3 3.5Å; F192-W194 VanDerWaalsContact CE1-CE3 3.5Å; F192-W194 HydrophobicContact CE1-CG 4.21Å; F192-W194 HydrophobicContact CE1-CZ3 4.28Å; F192-W194 HydrophobicContact CZ-CB 4.29Å; F192-W194 HydrophobicContact CZ-CD2 4.4Å; F192-W194 AromaticContact CZ-CE3 3.54Å; F192-W194 HydrophobicContact CZ-CE3 3.54Å; F192-W194 HydrophobicContact CZ-CZ3 4.24Å
195G53.6Low78.5Confident9 Ų936 Ų369%0.09318%0.18CC..  trans150.2157.2-179.200000109.8W197 Q199G195-W197 VanDerWaalsContact C-N 3.31Å; G195-W197 PolarHBondContact O-N 3.09Å; G195-Q199 WeakPolarHBondContact O-CG 3.27Å; G195-Q199 PolarHBondContact O-NE2 3.5Å
196L50.5Low78.6Confident70 Ų7033 Ų3337%0.36617%0.166SC..SBendtrans-70.8-29.3179.1-69.8166.7000112.2T648L196-T648 HydrophobicContact CD2-CG2 4.42Å
197W50.5Low78.7Confident44 Ų4433.5 Ų33.517%0.16717%0.169CC..SBendtrans-142.4155.2-177.4-59.8101.7000112.3G195 Q199 F645 G647 P649 I652 F694G195-W197 VanDerWaalsContact C-N 3.31Å; G195-W197 PolarHBondContact O-N 3.09Å; W197-Q199 PolarHBondContact O-N 2.82Å; W197-F645 HydrophobicContact CE3-CE1 4.09Å; W197-F645 AromaticContact CH2-CE1 3.85Å; W197-F645 HydrophobicContact CH2-CE1 3.85Å; W197-F645 HydrophobicContact CZ2-CE1 4.44Å; W197-F645 AromaticContact CZ3-CE1 3.67Å; W197-F645 HydrophobicContact CZ3-CE1 3.67Å; W197-F645 HydrophobicContact CZ3-CZ 4.48Å; W197-G647 PolarHBondContact NE1-O 2.77Å; W197-P649 HydrophobicContact CH2-CB 4.15Å; W197-P649 HydrophobicContact CH2-CG 3.69Å; W197-P649 HydrophobicContact CZ2-CG 3.99Å; W197-P649 HydrophobicContact CZ3-CG 4.17Å; W197-I652 HydrophobicContact CH2-CD1 3.95Å; W197-I652 HydrophobicContact CZ2-CD1 4.12Å; W197-F694 HydrophobicContact CH2-CE1 4.43Å; W197-F694 AromaticContact CH2-CZ 3.81Å; W197-F694 HydrophobicContact CH2-CZ 3.81Å; W197-F694 AromaticContact CZ3-CZ 3.81Å; W197-F694 HydrophobicContact CZ3-CZ 3.81Å
198N57.2Low78.8Confident65 Ų6532.4 Ų32.435%0.34816%0.162SC..  trans49.636.7166-77.4-39.1000114.4V177 G200V177-N198 HydrophobicContact CG1-CB 3.5Å; V177-N198 VanDerWaalsContact CG1-OD1 3.31Å; V177-N198 WeakPolarHBondContact CG1-OD1 3.18Å; N198-G200 VanDerWaalsContact C-N 3.32Å; N198-G200 PolarHBondContact O-N 2.91Å
199Q70.3Confident79.1Confident40 Ų4031.6 Ų31.619%0.18716%0.158CC..  trans-57.8-38.9-162.8-60.8170.1-16.900113.8L180 I193 G195 W197L180-Q199 VanDerWaalsContact CB-OE1 3.32Å; L180-Q199 HydrophobicContact CD1-CB 4.47Å; L180-Q199 VanDerWaalsContact N-OE1 3.1Å; L180-Q199 PolarHBondContact O-OE1 2.78Å; I193-Q199 VanDerWaalsContact CG2-C 3.48Å; I193-Q199 HydrophobicContact CG2-CB 3.92Å; I193-Q199 WeakPolarHBondContact CG2-O 3.47Å; G195-Q199 WeakPolarHBondContact O-CG 3.27Å; G195-Q199 PolarHBondContact O-NE2 3.5Å; W197-Q199 PolarHBondContact O-N 2.82Å
200G83.7Confident79.4Confident0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-146.8171.9-175.700000113.4T178 N198 V210T178-G200 PolarHBondContact N-O 3Å; T178-G200 PolarHBondContact O-N 2.85Å; N198-G200 VanDerWaalsContact C-N 3.32Å; N198-G200 PolarHBondContact O-N 2.91Å; G200-V210 CarbonylContact C-O 3.56Å; G200-V210 WeakPolarHBondContact CA-O 3.4Å
201Y90.3Very high79.6Confident25 Ų2527.5 Ų27.510%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-104.9118.5176.3-85.227.2000108H168 F175 V177 V209 V210 K212 Y215H168-Y201 HydrophobicContact CB-CD2 4.27Å; H168-Y201 HydrophobicContact CB-CE2 3.78Å; H168-Y201 AromaticContact CD2-CE2 3.61Å; H168-Y201 AromaticContact CD2-CZ 3.74Å; H168-Y201 PolarHBondContact CE1-OH 2.93Å; H168-Y201 VanDerWaalsContact CE1-OH 3.31Å; H168-Y201 AromaticContact CG-CE2 3.5Å; H168-Y201 VanDerWaalsContact CG-CE2 3.5Å; H168-Y201 AromaticContact CG-CZ 3.99Å; H168-Y201 AromaticContact ND1-CE2 3.97Å; H168-Y201 AromaticContact NE2-CZ 3.84Å; H168-Y201 PolarHBondContact NE2-OH 3.45Å; F175-Y201 HydrophobicContact CB-CD2 3.83Å; F175-Y201 HydrophobicContact CB-CG 4.3Å; F175-Y201 HydrophobicContact CG-CD2 4.43Å; V177-Y201 HydrophobicContact CB-CD1 4.47Å; V177-Y201 HydrophobicContact CB-CE1 4.27Å; V177-Y201 HydrophobicContact CG1-CD1 4.25Å; V177-Y201 HydrophobicContact CG1-CE1 4.01Å; V177-Y201 HydrophobicContact CG2-CD1 4.31Å; V177-Y201 HydrophobicContact CG2-CE1 3.74Å; Y201-V209 WeakPolarHBondContact O-CA 3.44Å; Y201-V210 PolarHBondContact N-O 2.85Å; Y201-V210 PolarHBondContact O-N 3.16Å; Y201-K212 HydrophobicContact CD1-CG 4.23Å; Y201-K212 HydrophobicContact CE1-CB 4.47Å; Y201-K212 HydrophobicContact CE1-CG 3.85Å; Y201-Y215 AromaticContact CD2-CD1 3.37Å; Y201-Y215 HydrophobicContact CD2-CD1 3.37Å; Y201-Y215 HydrophobicContact CD2-CD2 4.31Å; Y201-Y215 AromaticContact CD2-CE1 3.97Å; Y201-Y215 HydrophobicContact CD2-CE1 3.97Å; Y201-Y215 AromaticContact CD2-CG 3.59Å; Y201-Y215 HydrophobicContact CD2-CG 3.59Å; Y201-Y215 AromaticContact CE2-CD1 3.27Å; Y201-Y215 HydrophobicContact CE2-CD1 3.27Å; Y201-Y215 HydrophobicContact CE2-CD2 4.42Å; Y201-Y215 AromaticContact CE2-CE1 3.35Å; Y201-Y215 HydrophobicContact CE2-CE1 3.35Å; Y201-Y215 HydrophobicContact CE2-CE2 4.46Å; Y201-Y215 AromaticContact CE2-CG 3.87Å; Y201-Y215 HydrophobicContact CE2-CG 3.87Å; Y201-Y215 AromaticContact CE2-CZ 3.97Å; Y201-Y215 HydrophobicContact CG-CD1 4.44Å
202Q90.9Very high79.8Confident13 Ų1329.9 Ų29.96%0.06114%0.137CC..EExtended strand (participates in β ladder)trans-104.5127.8174.2-179158.356.500110.2C23 F175 Q176 T178 Q204 T207 C208 V209C23-Q202 PolarHBondContact SG-OE1 3.14Å; F175-Q202 WeakPolarHBondContact CA-O 3.31Å; Q176-Q202 PolarHBondContact N-O 2.87Å; Q176-Q202 PolarHBondContact O-N 2.72Å; T178-Q202 HydrophobicContact CG2-CB 4.22Å; Q202-Q204 PolarHBondContact O-N 3.23Å; Q202-Q204 PolarHBondContact O-NE2 2.88Å; Q202-Q204 VanDerWaalsContact O-NE2 3.09Å; Q202-T207 PolarHBondContact NE2-O 3.04Å; Q202-C208 WeakPolarHBondContact CA-O 3.4Å; Q202-V209 HydrophobicContact CB-CG2 4.17Å; Q202-V209 HydrophobicContact CG-CG2 3.94Å; Q202-V209 VanDerWaalsContact NE2-CG2 3.29Å
203C92.8Very high79.9Confident0 Ų034.2 Ų34.20%015%0.151CC..EExtended strand (participates in β ladder)trans-73.4114.7174.3-179.10000109.9H173 K174 F175 V205 C206 T207 C208H173-C203 HydrophobicContact CB-CB 4.21Å; H173-C203 VanDerWaalsContact CB-SG 3.59Å; H173-C203 PolarHBondContact ND1-SG 3.49Å; H173-C203 VanDerWaalsContact ND1-SG 3.38Å; K174-C203 CarbonylContact O-C 3.56Å; K174-C203 VanDerWaalsContact O-CA 3.27Å; K174-C203 WeakPolarHBondContact O-CA 3.48Å; F175-C203 HydrophobicContact CD1-CB 3.84Å; F175-C203 HydrophobicContact CE1-CB 3.71Å; F175-C203 HydrophobicContact CG-CB 4.49Å; F175-C203 HydrophobicContact CZ-CB 4.3Å; C203-V205 VanDerWaalsContact C-N 3.26Å; C203-V205 PolarHBondContact O-N 3.05Å; C203-C206 PolarHBondContact O-N 2.83Å; C203-C206 VanDerWaalsContact SG-SG 3.64Å; C203-T207 WeakPolarHBondContact O-CA 3.44Å; C203-T207 PolarHBondContact O-N 3.06Å; C203-C208 HydrophobicContact CB-CB 4.14Å; C203-C208 PolarHBondContact N-O 3.41Å
204Q91.2Very high80.3Confident6 Ų634.7 Ų34.73%0.02815%0.154CC..THydrogen-bonded Turntrans-66-31.8-175.9-59.1-55.9-44.800112.3T21 C23 F95 K174 Q176 Q202T21-Q204 WeakPolarHBondContact CB-O 3.41Å; C23-Q204 HydrophobicContact CB-CB 4.34Å; C23-Q204 VanDerWaalsContact CB-O 3.26Å; C23-Q204 WeakPolarHBondContact CB-O 3.43Å; C23-Q204 PolarHBondContact N-O 3.41Å; C23-Q204 VanDerWaalsContact N-O 3.16Å; C23-Q204 PolarHBondContact SG-OE1 3.38Å; F95-Q204 HydrophobicContact CB-CB 4.17Å; F95-Q204 HydrophobicContact CB-CG 3.96Å; F95-Q204 HydrophobicContact CD1-CB 3.62Å; F95-Q204 HydrophobicContact CD1-CG 4.24Å; F95-Q204 HydrophobicContact CE1-CB 4.46Å; F95-Q204 HydrophobicContact CG-CB 4.22Å; F95-Q204 HydrophobicContact CG-CG 4.34Å; K174-Q204 PolarHBondContact O-N 2.75Å; Q176-Q204 HydrophobicContact CB-CG 3.77Å; Q176-Q204 VanDerWaalsContact OE1-CD 3.3Å; Q176-Q204 VanDerWaalsContact OE1-CG 3.28Å; Q202-Q204 PolarHBondContact O-N 3.23Å; Q202-Q204 PolarHBondContact O-NE2 2.88Å; Q202-Q204 VanDerWaalsContact O-NE2 3.09Å
205V90.2Very high81.2Confident10 Ų1029.2 Ų29.26%0.06113%0.134CC..THydrogen-bonded Turntrans-70.6-42.9179.8179.10000113A22 F95 P118 K174 C203 V225A22-V205 WeakPolarHBondContact CB-O 3.43Å; F95-V205 HydrophobicContact CE1-CG2 4.4Å; P118-V205 HydrophobicContact CB-CG1 3.84Å; P118-V205 HydrophobicContact CB-CG2 4.06Å; P118-V205 HydrophobicContact CG-CG1 4.29Å; P118-V205 HydrophobicContact CG-CG2 3.96Å; K174-V205 HydrophobicContact CB-CG2 4Å; K174-V205 HydrophobicContact CG-CG2 3.68Å; C203-V205 VanDerWaalsContact C-N 3.26Å; C203-V205 PolarHBondContact O-N 3.05Å; V205-V225 HydrophobicContact CG1-CG2 4.35Å
206C89.8Confident82.7Confident0 Ų032.8 Ų32.80%015%0.15CC..THydrogen-bonded Turntrans-126.12.3-17275.20000115.8H173 C203 C208 C222 H261 N290H173-C206 PolarHBondContact CE1-SG 3.46Å; H173-C206 PolarHBondContact ND1-SG 2.88Å; C203-C206 PolarHBondContact O-N 2.83Å; C203-C206 VanDerWaalsContact SG-SG 3.64Å; C206-C208 PolarHBondContact O-N 3.18Å; C206-C208 VanDerWaalsContact SG-CB 3.55Å; C206-C222 VanDerWaalsContact SG-SG 3.68Å; C206-H261 PolarHBondContact O-NE2 2.95Å; C206-N290 HydrophobicContact CB-CB 4.28Å; C206-N290 WeakPolarHBondContact O-CB 3.4Å; C206-N290 PolarHBondContact O-ND2 2.92Å
207T91.3Very high84.2Confident11 Ų1130.7 Ų30.77%0.06714%0.14CC..  trans6112.3-177.173.90000117A22 C23 Q202 C203 V209 C262A22-T207 HydrophobicContact CB-CG2 4.46Å; A22-T207 WeakPolarHBondContact O-CG2 3.41Å; C23-T207 HydrophobicContact CB-CG2 4.07Å; Q202-T207 PolarHBondContact NE2-O 3.04Å; C203-T207 WeakPolarHBondContact O-CA 3.44Å; C203-T207 PolarHBondContact O-N 3.06Å; T207-V209 WeakPolarHBondContact O-CG2 3.24Å; T207-C262 WeakPolarHBondContact O-CA 3.39Å; T207-C262 VanDerWaalsContact O-CB 3.24Å; T207-C262 WeakPolarHBondContact O-CB 3.25Å
208C91.4Very high85.7Confident7 Ų728.9 Ų28.95%0.04713%0.133CC..  trans-57.8135.3168.91790000110.9S187 Q202 C203 C206 H261S187-C208 PolarHBondContact OG-SG 2.97Å; Q202-C208 WeakPolarHBondContact CA-O 3.4Å; C203-C208 HydrophobicContact CB-CB 4.14Å; C203-C208 PolarHBondContact N-O 3.41Å; C206-C208 PolarHBondContact O-N 3.18Å; C206-C208 VanDerWaalsContact SG-CB 3.55Å; C208-H261 WeakPolarHBondContact CA-O 3.12Å; C208-H261 PolarHBondContact N-NE2 2.78Å
209V91.1Very high86.6Confident0 Ų027.7 Ų27.70%013%0.127CC..EExtended strand (participates in β ladder)trans-123.8132.7-179-168.90000111.8L180 T184 S187 I193 Y201 Q202 T207 H261 C262L180-V209 HydrophobicContact CD1-CG1 3.65Å; L180-V209 HydrophobicContact CD2-CG1 3.81Å; L180-V209 HydrophobicContact CD2-CG2 4.49Å; L180-V209 HydrophobicContact CG-CG1 4.39Å; T184-V209 HydrophobicContact CG2-CB 4.33Å; T184-V209 HydrophobicContact CG2-CG1 4.05Å; S187-V209 PolarHBondContact N-O 3.3Å; S187-V209 PolarHBondContact OG-O 3Å; I193-V209 HydrophobicContact CD1-CG1 3.61Å; Y201-V209 WeakPolarHBondContact O-CA 3.44Å; Q202-V209 HydrophobicContact CB-CG2 4.17Å; Q202-V209 HydrophobicContact CG-CG2 3.94Å; Q202-V209 VanDerWaalsContact NE2-CG2 3.29Å; T207-V209 WeakPolarHBondContact O-CG2 3.24Å; V209-H261 PolarHBondContact N-O 3.02Å; V209-C262 WeakPolarHBondContact CG2-O 3.26Å
210V90.3Very high87Confident0 Ų027.3 Ų27.30%013%0.127CC..EExtended strand (participates in β ladder)trans-139.7161.4-179.5-65.20000111.9F175 C186 S187 L188 G200 Y201 C214 V218F175-V210 HydrophobicContact CD1-CG2 4.19Å; F175-V210 HydrophobicContact CE1-CG2 3.67Å; F175-V210 HydrophobicContact CZ-CG2 4.01Å; C186-V210 VanDerWaalsContact SG-CA 3.58Å; S187-V210 WeakPolarHBondContact OG-CG1 3.38Å; L188-V210 HydrophobicContact CB-CG1 4.31Å; G200-V210 CarbonylContact C-O 3.56Å; G200-V210 WeakPolarHBondContact CA-O 3.4Å; Y201-V210 PolarHBondContact N-O 2.85Å; Y201-V210 PolarHBondContact O-N 3.16Å; V210-C214 HydrophobicContact CB-CB 3.89Å; V210-V218 HydrophobicContact CG1-CG2 4.01Å
211H86.7Confident87Confident21 Ų2132.3 Ų32.310%0.09715%0.15CC..EExtended strand (participates in β ladder)trans-63.4157.1167.2-61.5107.2000111.7C186 C189 G191 F192 R213 C214 Y215C186-H211 VanDerWaalsContact CB-CE1 3.48Å; C186-H211 WeakPolarHBondContact CB-CE1 3.48Å; C186-H211 VanDerWaalsContact CB-ND1 3.35Å; C186-H211 WeakPolarHBondContact CB-ND1 3.45Å; C186-H211 PolarHBondContact SG-N 2.86Å; C189-H211 PolarHBondContact SG-CE1 2.75Å; C189-H211 PolarHBondContact SG-ND1 2.85Å; G191-H211 PolarHBondContact O-CE1 3.49Å; F192-H211 PolarHBondContact O-NE2 2.94Å; H211-R213 VanDerWaalsContact C-N 3.3Å; H211-R213 HydrophobicContact CB-CG 3.9Å; H211-R213 PolarHBondContact O-N 3.04Å; H211-C214 HydrophobicContact CB-CB 4.11Å; H211-C214 WeakPolarHBondContact O-CB 3.14Å; H211-C214 PolarHBondContact O-N 2.95Å; H211-Y215 PolarHBondContact O-N 3.29Å
212K86.5Confident86.8Confident76 Ų7631.1 Ų31.133%0.3315%0.146SC..G310 helixtrans-42.4-52.6165.5-73.3177.8168-176.40112.4Y201 C214 Y215 D525Y201-K212 HydrophobicContact CD1-CG 4.23Å; Y201-K212 HydrophobicContact CE1-CB 4.47Å; Y201-K212 HydrophobicContact CE1-CG 3.85Å; K212-C214 PolarHBondContact O-N 2.85Å; K212-C214 VanDerWaalsContact O-N 3.17Å; K212-Y215 WeakPolarHBondContact O-CD1 3.43Å; K212-D525 IonicContact NZ-OD1 3.81Å; K212-D525 PolarHBondContact NZ-OD1 3.28Å; K212-D525 IonicContact NZ-OD2 2.73Å
213R84.4Confident86.5Confident164 Ų16433.3 Ų33.362%0.61916%0.161SC*.G310 helixtrans-67.3-10.4177.864.9179.8176.7-178-4.5116H211 N217H211-R213 VanDerWaalsContact C-N 3.3Å; H211-R213 HydrophobicContact CB-CG 3.9Å; H211-R213 PolarHBondContact O-N 3.04Å; R213-N217 PolarHBondContact O-ND2 3.24Å; R213-N217 VanDerWaalsContact O-ND2 3.16Å
214C85.9Confident85.7Confident12 Ų1235 Ų358%0.08118%0.179CC..G310 helixtrans-102.4-21.9-171-75.10000114.5L188 V210 H211 K212 L216 N217 V218L188-C214 HydrophobicContact CD2-CB 4.09Å; L188-C214 WeakPolarHBondContact CD2-O 3.12Å; V210-C214 HydrophobicContact CB-CB 3.89Å; H211-C214 HydrophobicContact CB-CB 4.11Å; H211-C214 WeakPolarHBondContact O-CB 3.14Å; H211-C214 PolarHBondContact O-N 2.95Å; K212-C214 PolarHBondContact O-N 2.85Å; K212-C214 VanDerWaalsContact O-N 3.17Å; C214-L216 PolarHBondContact O-N 2.92Å; C214-N217 PolarHBondContact O-N 2.88Å; C214-V218 PolarHBondContact O-N 2.92Å
215Y87.4Confident84.8Confident40 Ų4035.5 Ų35.516%0.15718%0.182CC..G310 helixtrans-64.1-40.5-171.786.4-87.3000114H168 A170 F175 Y201 H211 K212 N217 V218H168-Y215 HydrophobicContact CB-CD2 4.29Å; H168-Y215 HydrophobicContact CB-CE2 3.78Å; A170-Y215 HydrophobicContact CB-CD2 4.04Å; F175-Y215 HydrophobicContact CD2-CD2 4.14Å; F175-Y215 HydrophobicContact CD2-CG 4.39Å; Y201-Y215 AromaticContact CD2-CD1 3.37Å; Y201-Y215 HydrophobicContact CD2-CD1 3.37Å; Y201-Y215 HydrophobicContact CD2-CD2 4.31Å; Y201-Y215 AromaticContact CD2-CE1 3.97Å; Y201-Y215 HydrophobicContact CD2-CE1 3.97Å; Y201-Y215 AromaticContact CD2-CG 3.59Å; Y201-Y215 HydrophobicContact CD2-CG 3.59Å; Y201-Y215 AromaticContact CE2-CD1 3.27Å; Y201-Y215 HydrophobicContact CE2-CD1 3.27Å; Y201-Y215 HydrophobicContact CE2-CD2 4.42Å; Y201-Y215 AromaticContact CE2-CE1 3.35Å; Y201-Y215 HydrophobicContact CE2-CE1 3.35Å; Y201-Y215 HydrophobicContact CE2-CE2 4.46Å; Y201-Y215 AromaticContact CE2-CG 3.87Å; Y201-Y215 HydrophobicContact CE2-CG 3.87Å; Y201-Y215 AromaticContact CE2-CZ 3.97Å; Y201-Y215 HydrophobicContact CG-CD1 4.44Å; H211-Y215 PolarHBondContact O-N 3.29Å; K212-Y215 WeakPolarHBondContact O-CD1 3.43Å; Y215-N217 PolarHBondContact O-N 2.85Å; Y215-V218 WeakPolarHBondContact O-CB 3.37Å; Y215-V218 WeakPolarHBondContact O-CG2 3.38Å; Y215-V218 PolarHBondContact O-N 2.85Å
216L83.6Confident83.4Confident85 Ų8542 Ų4245%0.44521%0.209SC..G310 helixtrans-64.3-18.9175.2-67.4174.9000113.5C214C214-L216 PolarHBondContact O-N 2.92Å
217N83.9Confident81.6Confident26 Ų2646.5 Ų46.514%0.13924%0.241CC..G310 helixtrans-94.13.2177.9-62.2-78.6000112.4L188 R213 C214 Y215 I219 V303 R307L188-N217 HydrophobicContact CD2-CB 3.52Å; L188-N217 WeakPolarHBondContact CD2-O 3.48Å; R213-N217 PolarHBondContact O-ND2 3.24Å; R213-N217 VanDerWaalsContact O-ND2 3.16Å; C214-N217 PolarHBondContact O-N 2.88Å; Y215-N217 PolarHBondContact O-N 2.85Å; N217-I219 PolarHBondContact O-N 3.14Å; N217-V303 HydrophobicContact CB-CG1 4.34Å; N217-V303 WeakPolarHBondContact O-CG2 3.4Å; N217-R307 PolarHBondContact OD1-NH2 2.71Å
218V80.1Confident79.2Confident5 Ų551.3 Ų51.33%0.0327%0.272CS..  trans-74106.5171.9177.40000108.9K171 F175 L188 V210 C214 Y215 T220K171-V218 WeakPolarHBondContact CG-O 3.35Å; F175-V218 HydrophobicContact CE2-CG2 4.46Å; F175-V218 HydrophobicContact CZ-CG2 4.13Å; L188-V218 HydrophobicContact CD2-CG2 4.5Å; V210-V218 HydrophobicContact CG1-CG2 4.01Å; C214-V218 PolarHBondContact O-N 2.92Å; Y215-V218 WeakPolarHBondContact O-CB 3.37Å; Y215-V218 WeakPolarHBondContact O-CG2 3.38Å; Y215-V218 PolarHBondContact O-N 2.85Å; V218-T220 WeakPolarHBondContact CG1-OG1 3.24Å
219I76.5Confident76.2Confident41 Ų4156.5 Ų56.521%0.2131%0.306CS..  trans-89.5-13-179.454.9172000113.9N217 T299 L302 V303 I306 P313N217-I219 PolarHBondContact O-N 3.14Å; I219-T299 HydrophobicContact CD1-CG2 4.4Å; I219-L302 HydrophobicContact CD1-CB 3.97Å; I219-L302 HydrophobicContact CD1-CD2 3.55Å; I219-L302 HydrophobicContact CD1-CG 3.64Å; I219-V303 HydrophobicContact CD1-CG2 4.27Å; I219-V303 HydrophobicContact CG1-CG2 4.44Å; I219-V303 HydrophobicContact CG2-CG2 3.81Å; I219-I306 HydrophobicContact CG2-CD1 4.04Å; I219-P313 HydrophobicContact CG2-CB 3.88Å
220T79.2Confident73.3Confident32 Ų3262.3 Ų62.320%0.19635%0.347CS..SBendtrans-81.9135.6178.851.60000111.1K171 H173 V218 A292K171-T220 WeakPolarHBondContact CB-O 3.26Å; H173-T220 PolarHBondContact CD2-O 2.75Å; H173-T220 PolarHBondContact NE2-O 3.42Å; V218-T220 WeakPolarHBondContact CG1-OG1 3.24Å; T220-A292 HydrophobicContact CG2-CB 3.91Å
221Q82.8Confident70.5Confident104 Ų10466.1 Ų66.149%0.48637%0.372SS..PPolyproline II helixtrans-67.3139.3169.6-174.467.115.400110.9K171 P223K171-Q221 WeakPolarHBondContact O-CA 3.45Å; K171-Q221 PolarHBondContact O-NE2 2.84Å; K171-Q221 PolarHBondContact O-OE1 2.76Å; K171-Q221 VanDerWaalsContact O-OE1 3.08Å; Q221-P223 WeakPolarHBondContact O-CD 3.33Å
222C87.2Confident67.8Low1 Ų171.4 Ų71.41%0.00741%0.408CS..PPolyproline II helixtrans-63.5116.2174.3-172.30000111K171 H173 C206 G224 V225K171-C222 PolarHBondContact O-N 3.07Å; H173-C222 HydrophobicContact CB-CB 4.26Å; C206-C222 VanDerWaalsContact SG-SG 3.68Å; C222-G224 PolarHBondContact O-N 3.17Å; C222-G224 VanDerWaalsContact O-N 3.17Å; C222-V225 HydrophobicContact CB-CG2 4.15Å; C222-V225 PolarHBondContact O-N 3.23Å
223P84.9Confident65.2Low59 Ų5972 Ų7238%0.38342%0.419SS..THydrogen-bonded Turntrans-74.1-6.6-175.228.8-33.9000114.1Q221 N290Q221-P223 WeakPolarHBondContact O-CD 3.33Å; P223-N290 WeakPolarHBondContact CG-O 3.42Å
224G75Confident62.8Low36 Ų3666.7 Ų66.737%0.37141%0.41SS..THydrogen-bonded Turntrans-89.4-1.6173.500000114.6C222C222-G224 PolarHBondContact O-N 3.17Å; C222-G224 VanDerWaalsContact O-N 3.17Å
225V72.8Confident60.2Low15 Ų1569.1 Ų69.19%0.09143%0.431CS..SBendtrans-96.3130.6171.3179.80000108.9E117 G172 V205 C222 S227E117-V225 HydrophobicContact CG-CG1 4.28Å; E117-V225 WeakPolarHBondContact OE1-CG1 3.3Å; G172-V225 WeakPolarHBondContact O-CG2 3.46Å; V205-V225 HydrophobicContact CG1-CG2 4.35Å; C222-V225 HydrophobicContact CB-CG2 4.15Å; C222-V225 PolarHBondContact O-N 3.23Å; V225-S227 PolarHBondContact O-N 3.14Å; V225-S227 VanDerWaalsContact O-N 3.14Å
226K61.5Low57.7Low147 Ų14773.2 Ų73.264%0.63946%0.455SS*.  trans-67109.9172.1-64.6175.5-172.9168.30108.6
227S51.4Low55.6Low94 Ų9474.3 Ų74.366%0.65746%0.457SS*.PPolyproline II helixtrans-59.6124.6167.355.30000109.3V225V225-S227 PolarHBondContact O-N 3.14Å; V225-S227 VanDerWaalsContact O-N 3.14Å
228P39.9Very low53.4Low112 Ų11276.9 Ų76.973%0.72748%0.478SS*.PPolyproline II helixtrans-6312617924.4-33000109.8
229P29.6Very low51.5Low116 Ų11685.1 Ų85.175%0.75351%0.508SS*.SBendtrans-66.9142.317328.6-33.1000109.7
230S30.1Very low50.4Low123 Ų12389.7 Ų89.786%0.8653%0.527SS*.  trans60.392.3179.958.40000117.2
231C30.3Very low49.1Very low79 Ų7993.8 Ų93.853%0.53455%0.548SS..  trans-131.7129.9146.5-167.80000109.3T233 A234C231-T233 PolarHBondContact O-N 2.88Å; C231-T233 VanDerWaalsContact O-N 3.1Å; C231-T233 PolarHBondContact SG-OG1 2.94Å; C231-A234 PolarHBondContact O-N 3.5Å
232P30.1Very low48.2Very low132 Ų13292.1 Ų92.186%0.85754%0.541SS*.THydrogen-bonded Turntrans-63.7-14.3-173.3-26.936.4000116.7A234P232-A234 PolarHBondContact O-N 3.18Å
233T32.8Very low47.5Very low89 Ų8997.5 Ų97.555%0.54657%0.57SS.*THydrogen-bonded Turntrans-75.62.6-179.840.60000114.8C231 A235 L236C231-T233 PolarHBondContact O-N 2.88Å; C231-T233 VanDerWaalsContact O-N 3.1Å; C231-T233 PolarHBondContact SG-OG1 2.94Å; T233-A235 PolarHBondContact O-N 2.84Å; T233-L236 PolarHBondContact O-N 3.14Å
234A33.5Very low47.4Very low52 Ų5298 Ų9843%0.4357%0.572SS.*Hα-helixtrans-52.6-19.3176.600000114.8C231 P232 L236 Q237 S238C231-A234 PolarHBondContact O-N 3.5Å; P232-A234 PolarHBondContact O-N 3.18Å; A234-L236 PolarHBondContact O-N 3.11Å; A234-Q237 PolarHBondContact O-N 3.07Å; A234-S238 VanDerWaalsContact O-CB 3.27Å; A234-S238 WeakPolarHBondContact O-CB 3.33Å; A234-S238 PolarHBondContact O-N 3.5Å; A234-S238 PolarHBondContact O-OG 3.08Å; A234-S238 VanDerWaalsContact O-OG 3.08Å
235A31.4Very low47.9Very low64 Ų64100.5 Ų100.553%0.52958%0.582SS.*Hα-helixtrans-66.3-8.5179.200000116.4T233 R239T233-A235 PolarHBondContact O-N 2.84Å; A235-R239 PolarHBondContact O-NH2 2.81Å
236L34.7Very low48.6Very low125 Ų125101.1 Ų101.165%0.65458%0.584SS**Hα-helixtrans-99-45.5165.6-101.674.2000112.1T233 A234 S238 R239T233-L236 PolarHBondContact O-N 3.14Å; A234-L236 PolarHBondContact O-N 3.11Å; L236-S238 VanDerWaalsContact C-N 3.28Å; L236-S238 PolarHBondContact O-N 3.25Å; L236-R239 WeakPolarHBondContact O-CB 3.06Å; L236-R239 PolarHBondContact O-N 3.31Å; L236-R239 VanDerWaalsContact O-N 3.09Å
237Q39.9Very low50.1Low108 Ų10899.1 Ų99.151%0.50558%0.575SS.*Hα-helixtrans-62.5-35178.9-70.1176.9-13.300112.1A234 R239 F240 N241A234-Q237 PolarHBondContact O-N 3.07Å; Q237-R239 PolarHBondContact O-N 3.32Å; Q237-R239 VanDerWaalsContact O-N 3.14Å; Q237-F240 PolarHBondContact O-N 3.09Å; Q237-N241 WeakPolarHBondContact O-CB 3.43Å; Q237-N241 PolarHBondContact O-N 2.74Å; Q237-N241 VanDerWaalsContact O-N 3.17Å
238S37.1Very low52.2Low81 Ų8196.1 Ų96.157%0.56655%0.55SS*.THydrogen-bonded Turntrans-61.9-18.8175.564.70000114.3A234 L236 F240A234-S238 VanDerWaalsContact O-CB 3.27Å; A234-S238 WeakPolarHBondContact O-CB 3.33Å; A234-S238 PolarHBondContact O-N 3.5Å; A234-S238 PolarHBondContact O-OG 3.08Å; A234-S238 VanDerWaalsContact O-OG 3.08Å; L236-S238 VanDerWaalsContact C-N 3.28Å; L236-S238 PolarHBondContact O-N 3.25Å; S238-F240 VanDerWaalsContact C-N 3.31Å; S238-F240 PolarHBondContact O-N 3.31Å
239R41.3Very low54.7Low177 Ų17797.8 Ų97.867%0.66854%0.542SS*.THydrogen-bonded Turntrans-77.7-14.4-179.8-126.8179-66.1179.60.9114A235 L236 Q237A235-R239 PolarHBondContact O-NH2 2.81Å; L236-R239 WeakPolarHBondContact O-CB 3.06Å; L236-R239 PolarHBondContact O-N 3.31Å; L236-R239 VanDerWaalsContact O-N 3.09Å; Q237-R239 PolarHBondContact O-N 3.32Å; Q237-R239 VanDerWaalsContact O-N 3.14Å
240F53.3Low57.7Low137 Ų13796.3 Ų96.360%0.60153%0.527SS*.THydrogen-bonded Turntrans-130.96.8177-64.3-74.2000113.8Q237 S238 I242Q237-F240 PolarHBondContact O-N 3.09Å; S238-F240 VanDerWaalsContact C-N 3.31Å; S238-F240 PolarHBondContact O-N 3.31Å; F240-I242 VanDerWaalsContact C-N 3.33Å; F240-I242 PolarHBondContact O-N 3.27Å
241N52.5Low60.6Low119 Ų11993.5 Ų93.564%0.63650%0.5SS*.  trans-77.180.4177.9-171.3-0.3000111.2Q237 N243Q237-N241 WeakPolarHBondContact O-CB 3.43Å; Q237-N241 PolarHBondContact O-N 2.74Å; Q237-N241 VanDerWaalsContact O-N 3.17Å; N241-N243 PolarHBondContact O-N 2.8Å
242I62.5Low63.3Low69 Ų6991.6 Ų91.635%0.35449%0.486SS..  trans-76.187.7178.9-51171.4000109.5F240 V244 V297 L302F240-I242 VanDerWaalsContact C-N 3.33Å; F240-I242 PolarHBondContact O-N 3.27Å; I242-V244 HydrophobicContact CG2-CG2 3.94Å; I242-V244 PolarHBondContact O-N 3.04Å; I242-V297 HydrophobicContact CB-CG2 4.29Å; I242-V297 HydrophobicContact CD1-CG1 4.18Å; I242-V297 HydrophobicContact CD1-CG2 3.8Å; I242-V297 HydrophobicContact CG2-CG2 3.61Å; I242-L302 HydrophobicContact CD1-CD2 3.85Å
243N73.1Confident65.9Low113 Ų11386.4 Ų86.460%0.60445%0.45SS*.  trans-94.382.4175-175.216.3000111.4N241 S293N241-N243 PolarHBondContact O-N 2.8Å; N243-S293 CarbonylContact C-O 3.6Å; N243-S293 VanDerWaalsContact CA-O 3.3Å; N243-S293 WeakPolarHBondContact CA-O 3.36Å; N243-S293 WeakPolarHBondContact OD1-CB 3.41Å
244V82.4Confident68.2Low69 Ų6990 Ų9042%0.41846%0.462SS..BIsolated β-bridgetrans-116.5104.6172.1-174.50000108.2I242 S293 H294 C295I242-V244 HydrophobicContact CG2-CG2 3.94Å; I242-V244 PolarHBondContact O-N 3.04Å; V244-S293 CarbonylContact C-O 3.44Å; V244-S293 PolarHBondContact N-O 2.78Å; V244-S293 CarbonylContact O-C 3.57Å; V244-S293 VanDerWaalsContact O-O 3.09Å; V244-H294 PolarHBondContact O-N 2.89Å; V244-C295 HydrophobicContact CB-CB 4.46Å; V244-C295 HydrophobicContact CG1-CB 4.12Å; V244-C295 WeakPolarHBondContact O-CB 3.07Å; V244-C295 PolarHBondContact O-N 2.85Å
245P85.2Confident70.6Confident90 Ų9095.3 Ų95.358%0.58447%0.471SS*.  trans-67.2146.9-175.726.6-34.3000112.5
246H88.3Confident72.9Confident28 Ų2897.5 Ų97.513%0.1348%0.48CS..  trans-76.8134.2177.3-70.2-108.1000111.1F248 C276 C279 A292 C295H246-F248 HydrophobicContact CB-CD1 4.5Å; H246-F248 HydrophobicContact CB-CD2 3.8Å; H246-F248 HydrophobicContact CB-CE1 4.12Å; H246-F248 HydrophobicContact CB-CE2 3.36Å; H246-F248 HydrophobicContact CB-CG 4.34Å; H246-F248 HydrophobicContact CB-CZ 3.52Å; H246-F248 AromaticContact CG-CZ 3.84Å; H246-F248 PolarHBondContact O-N 2.97Å; H246-C276 HydrophobicContact CB-CB 4.3Å; H246-C279 VanDerWaalsContact CE1-SG 3.56Å; H246-C279 PolarHBondContact ND1-SG 2.85Å; H246-A292 PolarHBondContact NE2-O 3.32Å; H246-C295 HydrophobicContact CB-CB 4.34Å; H246-C295 PolarHBondContact NE2-N 3.24Å
247K92.8Very high75.4Confident105 Ų10592.4 Ų92.446%0.45746%0.456SS..  trans-89.674.5176.4-167.3-178.2178.4-159.50110.5C276 E277 V278K247-C276 PolarHBondContact N-SG 2.82Å; K247-C276 VanDerWaalsContact N-SG 3.38Å; K247-C276 WeakPolarHBondContact O-CA 3.39Å; K247-E277 HydrophobicContact CD-CB 4.39Å; K247-E277 HydrophobicContact CD-CG 4.48Å; K247-E277 VanDerWaalsContact CD-OE2 3.31Å; K247-E277 WeakPolarHBondContact CD-OE2 3.07Å; K247-E277 WeakPolarHBondContact CE-OE2 3.1Å; K247-E277 IonicContact NZ-OE1 3.73Å; K247-E277 IonicContact NZ-OE2 2.65Å; K247-E277 PolarHBondContact NZ-OE2 2.87Å; K247-E277 PolarHBondContact O-N 3.43Å; K247-V278 HydrophobicContact CB-CG2 4.47Å
248F94.4Very high77.7Confident31 Ų3190 Ų9014%0.13644%0.444CS..EExtended strand (participates in β ladder)trans-71.2143.7-177.4-72.5-59.7000113.6H246 L274 Q275 C276 L281 I283 E288 V291H246-F248 HydrophobicContact CB-CD1 4.5Å; H246-F248 HydrophobicContact CB-CD2 3.8Å; H246-F248 HydrophobicContact CB-CE1 4.12Å; H246-F248 HydrophobicContact CB-CE2 3.36Å; H246-F248 HydrophobicContact CB-CG 4.34Å; H246-F248 HydrophobicContact CB-CZ 3.52Å; H246-F248 AromaticContact CG-CZ 3.84Å; H246-F248 PolarHBondContact O-N 2.97Å; F248-L274 HydrophobicContact CB-CB 4.12Å; F248-L274 HydrophobicContact CB-CD1 4.24Å; F248-L274 HydrophobicContact CD1-CB 3.92Å; F248-L274 HydrophobicContact CG-CB 4.21Å; F248-L274 HydrophobicContact CG-CD1 4.36Å; F248-Q275 WeakPolarHBondContact CA-O 3.48Å; F248-C276 HydrophobicContact CD1-CB 4Å; F248-C276 HydrophobicContact CE1-CB 3.92Å; F248-L281 HydrophobicContact CZ-CD2 4.21Å; F248-I283 HydrophobicContact CD1-CD1 4.19Å; F248-I283 HydrophobicContact CD1-CG1 4.3Å; F248-I283 HydrophobicContact CD2-CD1 4.26Å; F248-I283 HydrophobicContact CE1-CD1 3.63Å; F248-I283 HydrophobicContact CE1-CG1 3.83Å; F248-I283 HydrophobicContact CE2-CD1 3.68Å; F248-I283 HydrophobicContact CG-CD1 4.5Å; F248-I283 HydrophobicContact CZ-CD1 3.36Å; F248-I283 HydrophobicContact CZ-CG1 4.07Å; F248-E288 HydrophobicContact CD2-CG 3.94Å; F248-E288 HydrophobicContact CE2-CG 4.39Å; F248-V291 HydrophobicContact CZ-CG1 4.43Å
249R93Very high80.3Confident147 Ų14786.2 Ų86.256%0.55542%0.417SS*.EExtended strand (participates in β ladder)trans-135145168.7-65.5-62.3-168.2-1745.6110.4H251 L274 Q275 E277R249-H251 PolarHBondContact O-N 2.98Å; R249-L274 CarbonylContact O-C 3.45Å; R249-L274 WeakPolarHBondContact O-CA 3.1Å; R249-Q275 PolarHBondContact N-O 3.03Å; R249-Q275 PolarHBondContact O-N 2.78Å; R249-E277 HydrophobicContact CG-CG 3.77Å; R249-E277 VanDerWaalsContact CG-OE1 3.27Å; R249-E277 WeakPolarHBondContact CG-OE1 3.46Å; R249-E277 IonicContact CZ-OE1 3.43Å; R249-E277 IonicContact NE-OE1 2.7Å; R249-E277 PolarHBondContact NE-OE1 3.05Å; R249-E277 IonicContact NH2-OE1 3.28Å; R249-E277 PolarHBondContact NH2-OE1 3.25Å
250I93.8Very high82.7Confident85 Ų8579.4 Ų79.444%0.43639%0.394SS..EExtended strand (participates in β ladder)trans-61.5120.8171.4-60.5169.2000109R271 G273 L274I250-R271 HydrophobicContact CG2-CB 3.58Å; I250-R271 HydrophobicContact CG2-CG 3.99Å; I250-G273 WeakPolarHBondContact CA-O 3.15Å; I250-L274 HydrophobicContact CB-CD2 4.41Å; I250-L274 HydrophobicContact CG1-CD2 3.71Å
251H89.2Confident84.5Confident63 Ų6373.6 Ų73.629%0.29237%0.369SS..EExtended strand (participates in β ladder)trans-121.7142.1-172.1-174.1-97.2000110.8R249 F253 R271 Q272 G273 Q275R249-H251 PolarHBondContact O-N 2.98Å; H251-F253 HydrophobicContact CB-CE2 3.85Å; H251-F253 HydrophobicContact CB-CZ 4.01Å; H251-F253 AromaticContact CE1-CD1 3.78Å; H251-F253 AromaticContact CE1-CE1 3.82Å; H251-F253 AromaticContact CG-CZ 3.91Å; H251-F253 AromaticContact ND1-CD1 3.42Å; H251-F253 WeakPolarHBondContact ND1-CD1 3.29Å; H251-F253 AromaticContact ND1-CD2 3.55Å; H251-F253 AromaticContact ND1-CE1 3.26Å; H251-F253 VanDerWaalsContact ND1-CE1 3.26Å; H251-F253 WeakPolarHBondContact ND1-CE1 3.13Å; H251-F253 AromaticContact ND1-CE2 3.39Å; H251-F253 WeakPolarHBondContact ND1-CE2 3.41Å; H251-F253 AromaticContact ND1-CG 3.57Å; H251-F253 AromaticContact ND1-CZ 3.25Å; H251-F253 WeakPolarHBondContact ND1-CZ 3.16Å; H251-R271 CarbonylContact O-C 3.56Å; H251-R271 WeakPolarHBondContact O-CA 3.47Å; H251-Q272 PolarHBondContact O-N 2.77Å; H251-G273 PolarHBondContact N-O 2.95Å; H251-Q275 HydrophobicContact CB-CB 3.81Å
252T88Confident86.3Confident39 Ų3968 Ų6824%0.23934%0.339CS..  trans-99.9116.9170.3-63.60000109M254 M270 R271T252-M254 HydrophobicContact CG2-CE 3.67Å; T252-M254 HydrophobicContact CG2-SD 3.87Å; T252-M270 HydrophobicContact CG2-CB 4.43Å; T252-M270 HydrophobicContact CG2-CG 4.38Å; T252-R271 PolarHBondContact OG1-N 2.88Å
253F83.9Confident87.5Confident23 Ų2364.8 Ų64.810%0.10132%0.323CS..  trans-89.5121.5176.3-61-91.4000108.9H251 R255 A257 L266 Q272 Q275 N282H251-F253 HydrophobicContact CB-CE2 3.85Å; H251-F253 HydrophobicContact CB-CZ 4.01Å; H251-F253 AromaticContact CE1-CD1 3.78Å; H251-F253 AromaticContact CE1-CE1 3.82Å; H251-F253 AromaticContact CG-CZ 3.91Å; H251-F253 AromaticContact ND1-CD1 3.42Å; H251-F253 WeakPolarHBondContact ND1-CD1 3.29Å; H251-F253 AromaticContact ND1-CD2 3.55Å; H251-F253 AromaticContact ND1-CE1 3.26Å; H251-F253 VanDerWaalsContact ND1-CE1 3.26Å; H251-F253 WeakPolarHBondContact ND1-CE1 3.13Å; H251-F253 AromaticContact ND1-CE2 3.39Å; H251-F253 WeakPolarHBondContact ND1-CE2 3.41Å; H251-F253 AromaticContact ND1-CG 3.57Å; H251-F253 AromaticContact ND1-CZ 3.25Å; H251-F253 WeakPolarHBondContact ND1-CZ 3.16Å; F253-R255 PolarHBondContact O-N 2.9Å; F253-A257 HydrophobicContact CB-CB 3.97Å; F253-A257 HydrophobicContact CD1-CB 3.49Å; F253-A257 VanDerWaalsContact CD1-CB 3.49Å; F253-A257 HydrophobicContact CE1-CB 4.14Å; F253-A257 HydrophobicContact CG-CB 3.78Å; F253-L266 HydrophobicContact CD2-CD1 4.02Å; F253-L266 HydrophobicContact CE1-CD1 4.28Å; F253-L266 HydrophobicContact CE2-CD1 3.63Å; F253-L266 HydrophobicContact CZ-CD1 3.77Å; F253-Q272 HydrophobicContact CD2-CB 4.38Å; F253-Q272 PolarHBondContact O-NE2 3.25Å; F253-Q275 HydrophobicContact CZ-CB 4.33Å; F253-N282 HydrophobicContact CE1-CB 4.08Å; F253-N282 VanDerWaalsContact CE1-OD1 3.29Å; F253-N282 WeakPolarHBondContact CE1-OD1 3.45Å; F253-N282 HydrophobicContact CZ-CB 3.93Å
254M82.2Confident88.2Confident166 Ų16660.1 Ų60.182%0.81830%0.299SS*.SBendtrans-85.24.6-179-54.7-57.2175.100113.2T252T252-M254 HydrophobicContact CG2-CE 3.67Å; T252-M254 HydrophobicContact CG2-SD 3.87Å
255R82.6Confident88.4Confident163 Ų16358.9 Ų58.962%0.61529%0.29SS*.SBendtrans-146.9158.6177.7-66.5-171.4176.3128.3-3108.2F253 A257 P401F253-R255 PolarHBondContact O-N 2.9Å; R255-A257 PolarHBondContact O-N 3.46Å; R255-P401 VanDerWaalsContact CD-CG 3.4Å
256P81.2Confident88.4Confident109 Ų10955 Ų5571%0.70826%0.264SS*.  trans-49127.8169.8-27.836.3000111L265P256-L265 HydrophobicContact CB-CD1 3.99Å
257A85.6Confident87.9Confident19 Ų1960.2 Ų60.216%0.15729%0.287CS..  trans-140.2144.8-177.400000108.8F253 R255 L265 L266F253-A257 HydrophobicContact CB-CB 3.97Å; F253-A257 HydrophobicContact CD1-CB 3.49Å; F253-A257 VanDerWaalsContact CD1-CB 3.49Å; F253-A257 HydrophobicContact CE1-CB 4.14Å; F253-A257 HydrophobicContact CG-CB 3.78Å; R255-A257 PolarHBondContact O-N 3.46Å; A257-L265 WeakPolarHBondContact O-CD1 3.15Å; A257-L266 HydrophobicContact CB-CD1 4.1Å; A257-L266 VanDerWaalsContact O-CB 3.25Å; A257-L266 WeakPolarHBondContact O-CB 3.37Å; A257-L266 WeakPolarHBondContact O-CG 3.43Å; A257-L266 PolarHBondContact O-N 3.02Å
258F89.5Confident87Confident58 Ų5857.7 Ų57.725%0.25429%0.291SS..BIsolated β-bridgetrans-107.6157.4-173.1-64.4-92.3000111.2F183 F185 D260 G263 L265F183-F258 HydrophobicContact CB-CE1 4.02Å; F183-F258 HydrophobicContact CB-CZ 4.27Å; F183-F258 VanDerWaalsContact O-CE1 3.26Å; F183-F258 WeakPolarHBondContact O-CE1 3.23Å; F185-F258 HydrophobicContact CD2-CB 3.93Å; F185-F258 AromaticContact CD2-CD1 3.84Å; F185-F258 HydrophobicContact CD2-CD1 3.84Å; F185-F258 AromaticContact CD2-CD2 3.95Å; F185-F258 HydrophobicContact CD2-CD2 3.95Å; F185-F258 HydrophobicContact CD2-CE1 4.36Å; F185-F258 HydrophobicContact CD2-CE2 4.47Å; F185-F258 AromaticContact CD2-CG 3.61Å; F185-F258 HydrophobicContact CD2-CG 3.61Å; F185-F258 HydrophobicContact CE2-CB 4.43Å; F185-F258 AromaticContact CE2-CD1 3.87Å; F185-F258 HydrophobicContact CE2-CD1 3.87Å; F185-F258 AromaticContact CE2-CD2 3.56Å; F185-F258 HydrophobicContact CE2-CD2 3.56Å; F185-F258 AromaticContact CE2-CE1 3.98Å; F185-F258 HydrophobicContact CE2-CE1 3.98Å; F185-F258 AromaticContact CE2-CE2 3.68Å; F185-F258 HydrophobicContact CE2-CE2 3.68Å; F185-F258 AromaticContact CE2-CG 3.67Å; F185-F258 HydrophobicContact CE2-CG 3.67Å; F185-F258 AromaticContact CE2-CZ 3.89Å; F185-F258 HydrophobicContact CE2-CZ 3.89Å; F185-F258 HydrophobicContact CZ-CD2 4.48Å; F185-F258 HydrophobicContact CZ-CE2 4.45Å; F258-D260 PolarHBondContact O-N 3.09Å; F258-G263 WeakPolarHBondContact CD1-O 3.06Å; F258-L265 HydrophobicContact CD1-CB 4.16Å; F258-L265 HydrophobicContact CD1-CD1 4.1Å; F258-L265 HydrophobicContact CD2-CD1 4.44Å; F258-L265 HydrophobicContact CE1-CB 3.99Å; F258-L265 HydrophobicContact CE1-CD1 3.73Å; F258-L265 HydrophobicContact CE1-CG 4.47Å; F258-L265 HydrophobicContact CE2-CD1 4.1Å; F258-L265 HydrophobicContact CG-CD1 4.44Å; F258-L265 HydrophobicContact CZ-CD1 3.72Å
259C92.4Very high86Confident0 Ų064.2 Ų64.20%033%0.326CS..  trans-81.3111.7175.6-178.70000109H261 C262 G263 S264 L266 N282 H284C259-H261 PolarHBondContact O-N 3.38Å; C259-C262 VanDerWaalsContact SG-SG 3.68Å; C259-G263 WeakPolarHBondContact O-CA 3.23Å; C259-G263 PolarHBondContact O-N 3.09Å; C259-S264 VanDerWaalsContact CB-O 3.29Å; C259-S264 WeakPolarHBondContact CB-O 3.23Å; C259-S264 PolarHBondContact N-O 2.98Å; C259-L266 HydrophobicContact CB-CD2 3.81Å; C259-N282 CarbonylContact C-O 3.55Å; C259-N282 WeakPolarHBondContact CA-O 3.28Å; C259-H284 VanDerWaalsContact CB-CE1 3.43Å; C259-H284 WeakPolarHBondContact CB-CE1 3.36Å; C259-H284 WeakPolarHBondContact CB-ND1 3.2Å; C259-H284 PolarHBondContact SG-ND1 2.87Å; C259-H284 VanDerWaalsContact SG-ND1 3.42Å
260D91Very high85.4Confident35 Ų3564.1 Ų64.119%0.18733%0.334CS..THydrogen-bonded Turntrans-62.5-5.1179.8-64.9-52.2000113.4S187 F258 L281 N282S187-D260 WeakPolarHBondContact CA-O 3.06Å; S187-D260 WeakPolarHBondContact CB-O 3.38Å; F258-D260 PolarHBondContact O-N 3.09Å; D260-L281 HydrophobicContact CB-CD1 3.36Å; D260-L281 HydrophobicContact CB-CG 3.95Å; D260-N282 PolarHBondContact N-O 2.81Å; D260-N282 PolarHBondContact OD2-N 2.86Å; D260-N282 PolarHBondContact OD2-ND2 3.43Å
261H91.3Very high84.9Confident15 Ų1567 Ų677%0.06934%0.339CS..THydrogen-bonded Turntrans-100.9-57.2177.617880.2000113.5C206 C208 V209 C259 I283 N290 V291C206-H261 PolarHBondContact O-NE2 2.95Å; C208-H261 WeakPolarHBondContact CA-O 3.12Å; C208-H261 PolarHBondContact N-NE2 2.78Å; V209-H261 PolarHBondContact N-O 3.02Å; C259-H261 PolarHBondContact O-N 3.38Å; H261-I283 HydrophobicContact CB-CG2 4.02Å; H261-N290 PolarHBondContact CE1-O 3.3Å; H261-V291 HydrophobicContact CB-CG2 3.89Å
262C90.2Very high84.7Confident2 Ų265.1 Ų65.11%0.01433%0.33CS..THydrogen-bonded Turntrans-99.65.8-179.677.50000113.7T207 V209 C259 S264 H284T207-C262 WeakPolarHBondContact O-CA 3.39Å; T207-C262 VanDerWaalsContact O-CB 3.24Å; T207-C262 WeakPolarHBondContact O-CB 3.25Å; V209-C262 WeakPolarHBondContact CG2-O 3.26Å; C259-C262 VanDerWaalsContact SG-SG 3.68Å; C262-S264 PolarHBondContact O-N 2.71Å; C262-S264 PolarHBondContact O-OG 2.97Å; C262-S264 PolarHBondContact SG-OG 2.91Å; C262-S264 VanDerWaalsContact SG-OG 3.33Å; C262-H284 VanDerWaalsContact SG-CE1 3.57Å; C262-H284 PolarHBondContact SG-ND1 3.28Å
263G88.2Confident84.8Confident0 Ų063.2 Ų63.20%032%0.319CS..  trans68.7-21179.900000116.4T184 F185 F258 C259T184-G263 WeakPolarHBondContact CA-O 3.46Å; F185-G263 PolarHBondContact N-O 2.69Å; F185-G263 WeakPolarHBondContact O-CA 3.4Å; F258-G263 WeakPolarHBondContact CD1-O 3.06Å; C259-G263 WeakPolarHBondContact O-CA 3.23Å; C259-G263 PolarHBondContact O-N 3.09Å
264S86.6Confident85.3Confident16 Ų1662.5 Ų62.511%0.11232%0.316CS..  trans-73.2158-172.3-31.80000114Q182 C259 C262Q182-S264 VanDerWaalsContact OE1-CB 3.25Å; C259-S264 VanDerWaalsContact CB-O 3.29Å; C259-S264 WeakPolarHBondContact CB-O 3.23Å; C259-S264 PolarHBondContact N-O 2.98Å; C262-S264 PolarHBondContact O-N 2.71Å; C262-S264 PolarHBondContact O-OG 2.97Å; C262-S264 PolarHBondContact SG-OG 2.91Å; C262-S264 VanDerWaalsContact SG-OG 3.33Å
265L87.2Confident86Confident43 Ų4355.8 Ų55.823%0.22528%0.283CS..BIsolated β-bridgetrans-64.2140.8-176.3-17271.6000113.5P256 A257 F258 F267 H284P256-L265 HydrophobicContact CB-CD1 3.99Å; A257-L265 WeakPolarHBondContact O-CD1 3.15Å; F258-L265 HydrophobicContact CD1-CB 4.16Å; F258-L265 HydrophobicContact CD1-CD1 4.1Å; F258-L265 HydrophobicContact CD2-CD1 4.44Å; F258-L265 HydrophobicContact CE1-CB 3.99Å; F258-L265 HydrophobicContact CE1-CD1 3.73Å; F258-L265 HydrophobicContact CE1-CG 4.47Å; F258-L265 HydrophobicContact CE2-CD1 4.1Å; F258-L265 HydrophobicContact CG-CD1 4.44Å; F258-L265 HydrophobicContact CZ-CD1 3.72Å; L265-F267 HydrophobicContact CB-CD2 4.36Å; L265-F267 HydrophobicContact CB-CE1 4.46Å; L265-F267 HydrophobicContact CB-CE2 3.9Å; L265-F267 HydrophobicContact CB-CZ 3.96Å; L265-F267 HydrophobicContact CD2-CD1 4.12Å; L265-F267 HydrophobicContact CD2-CE1 3.84Å; L265-F267 HydrophobicContact CD2-CZ 4.15Å; L265-F267 WeakPolarHBondContact O-CD2 3.37Å; L265-F267 WeakPolarHBondContact O-CE2 3.37Å; L265-F267 PolarHBondContact O-N 2.81Å; L265-F267 VanDerWaalsContact O-N 3.11Å; L265-H284 PolarHBondContact O-NE2 2.78Å
266L85.3Confident86.5Confident9 Ų948 Ų485%0.04725%0.253CS..  trans-80.879.7173.6-59.2178.3000110.7F253 A257 C259 Q272 N282 I283 H284F253-L266 HydrophobicContact CD2-CD1 4.02Å; F253-L266 HydrophobicContact CE1-CD1 4.28Å; F253-L266 HydrophobicContact CE2-CD1 3.63Å; F253-L266 HydrophobicContact CZ-CD1 3.77Å; A257-L266 HydrophobicContact CB-CD1 4.1Å; A257-L266 VanDerWaalsContact O-CB 3.25Å; A257-L266 WeakPolarHBondContact O-CB 3.37Å; A257-L266 WeakPolarHBondContact O-CG 3.43Å; A257-L266 PolarHBondContact O-N 3.02Å; C259-L266 HydrophobicContact CB-CD2 3.81Å; L266-Q272 HydrophobicContact CB-CB 4.17Å; L266-Q272 WeakPolarHBondContact O-CB 3.49Å; L266-Q272 WeakPolarHBondContact O-CG 3.41Å; L266-N282 HydrophobicContact CD1-CB 4.11Å; L266-I283 VanDerWaalsContact CD2-C 3.41Å; L266-H284 HydrophobicContact CD2-CB 4.47Å
267F78.2Confident87.1Confident136 Ų13646.4 Ų46.460%0.59624%0.236SC*.  trans-60.8144.2-176.9-65.5-85.9000114.9L265 Q272L265-F267 HydrophobicContact CB-CD2 4.36Å; L265-F267 HydrophobicContact CB-CE1 4.46Å; L265-F267 HydrophobicContact CB-CE2 3.9Å; L265-F267 HydrophobicContact CB-CZ 3.96Å; L265-F267 HydrophobicContact CD2-CD1 4.12Å; L265-F267 HydrophobicContact CD2-CE1 3.84Å; L265-F267 HydrophobicContact CD2-CZ 4.15Å; L265-F267 WeakPolarHBondContact O-CD2 3.37Å; L265-F267 WeakPolarHBondContact O-CE2 3.37Å; L265-F267 PolarHBondContact O-N 2.81Å; L265-F267 VanDerWaalsContact O-N 3.11Å; F267-Q272 WeakPolarHBondContact O-CB 3.42Å
268G73.9Confident87.4Confident53 Ų5350.2 Ų50.255%0.54626%0.257SS..SBendtrans127.2162.3171.100000113.9Q272G268-Q272 WeakPolarHBondContact O-CG 3.46Å; G268-Q272 PolarHBondContact O-NE2 2.91Å
269L73Confident87.3Confident167 Ų16749.6 Ų49.687%0.87426%0.26SS*.SBendtrans-81.9-30.3178.2-64.2175.2000113.4
270M79.3Confident87.3Confident145 Ų14555.2 Ų55.271%0.71428%0.281SS*.SBendtrans-145.9152.6-179.1-72-169.6-76.600111.1T252 Q272T252-M270 HydrophobicContact CG2-CB 4.43Å; T252-M270 HydrophobicContact CG2-CG 4.38Å; M270-Q272 PolarHBondContact O-N 3.01Å; M270-Q272 VanDerWaalsContact O-N 3.13Å
271R85.1Confident87.3Confident147 Ų14755.5 Ų55.556%0.55528%0.282SS*.SBendtrans51.837.4172.5-60.5-17979.4-1714.3112.3I250 H251 T252 G273 K285I250-R271 HydrophobicContact CG2-CB 3.58Å; I250-R271 HydrophobicContact CG2-CG 3.99Å; H251-R271 CarbonylContact O-C 3.56Å; H251-R271 WeakPolarHBondContact O-CA 3.47Å; T252-R271 PolarHBondContact OG1-N 2.88Å; R271-G273 PolarHBondContact O-N 3.4Å; R271-K285 WeakPolarHBondContact O-CE 3.47Å; R271-K285 PolarHBondContact O-NZ 3.2Å
272Q84.5Confident87.4Confident22 Ų2256.2 Ų56.210%0.10329%0.286CS..  trans-62.1-46.1-166.3-59.492.5-26.200112H251 F253 L266 F267 G268 M270H251-Q272 PolarHBondContact O-N 2.77Å; F253-Q272 HydrophobicContact CD2-CB 4.38Å; F253-Q272 PolarHBondContact O-NE2 3.25Å; L266-Q272 HydrophobicContact CB-CB 4.17Å; L266-Q272 WeakPolarHBondContact O-CB 3.49Å; L266-Q272 WeakPolarHBondContact O-CG 3.41Å; F267-Q272 WeakPolarHBondContact O-CB 3.42Å; G268-Q272 WeakPolarHBondContact O-CG 3.46Å; G268-Q272 PolarHBondContact O-NE2 2.91Å; M270-Q272 PolarHBondContact O-N 3.01Å; M270-Q272 VanDerWaalsContact O-N 3.13Å
273G89.9Confident87.5Confident0 Ų056.1 Ų56.10%029%0.286CS..EExtended strand (participates in β ladder)trans-134.7-162.8-174.200000113.4I250 H251 R271 I283I250-G273 WeakPolarHBondContact CA-O 3.15Å; H251-G273 PolarHBondContact N-O 2.95Å; R271-G273 PolarHBondContact O-N 3.4Å; G273-I283 CarbonylContact C-O 3.57Å; G273-I283 WeakPolarHBondContact CA-O 3.46Å
274L94.8Very high87.7Confident7 Ų757 Ų574%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-113.1143.8172.1-56.7169.3000108.7F248 R249 I250 N282 I283 K285 E288F248-L274 HydrophobicContact CB-CB 4.12Å; F248-L274 HydrophobicContact CB-CD1 4.24Å; F248-L274 HydrophobicContact CD1-CB 3.92Å; F248-L274 HydrophobicContact CG-CB 4.21Å; F248-L274 HydrophobicContact CG-CD1 4.36Å; R249-L274 CarbonylContact O-C 3.45Å; R249-L274 WeakPolarHBondContact O-CA 3.1Å; I250-L274 HydrophobicContact CB-CD2 4.41Å; I250-L274 HydrophobicContact CG1-CD2 3.71Å; L274-N282 CarbonylContact O-C 3.07Å; L274-N282 WeakPolarHBondContact O-CA 3.29Å; L274-I283 HydrophobicContact CB-CG1 3.93Å; L274-I283 HydrophobicContact CD1-CD1 4.22Å; L274-I283 HydrophobicContact CD1-CG1 4.27Å; L274-I283 PolarHBondContact N-O 3.5Å; L274-I283 PolarHBondContact O-N 3.34Å; L274-K285 HydrophobicContact CD2-CG 4.38Å; L274-K285 HydrophobicContact CG-CG 4.24Å; L274-E288 HydrophobicContact CD1-CB 3.7Å; L274-E288 HydrophobicContact CD1-CG 3.78Å; L274-E288 WeakPolarHBondContact CD1-OE2 3.44Å
275Q95.6Very high87.9Confident26 Ų2661.3 Ų61.312%0.12131%0.306CS..EExtended strand (participates in β ladder)trans-120.8136.8165.9-178174.198.800109.3F248 R249 H251 F253 R280 L281 N282F248-Q275 WeakPolarHBondContact CA-O 3.48Å; R249-Q275 PolarHBondContact N-O 3.03Å; R249-Q275 PolarHBondContact O-N 2.78Å; H251-Q275 HydrophobicContact CB-CB 3.81Å; F253-Q275 HydrophobicContact CZ-CB 4.33Å; Q275-R280 VanDerWaalsContact OE1-CD 3.23Å; Q275-L281 CarbonylContact C-O 3.48Å; Q275-L281 WeakPolarHBondContact CA-O 3.47Å; Q275-N282 WeakPolarHBondContact CG-OD1 3.35Å; Q275-N282 PolarHBondContact NE2-OD1 3.37Å
276C94.2Very high88Confident0 Ų064.8 Ų64.80%032%0.317CS..EExtended strand (participates in β ladder)trans-73.5122.8170.5-179.20000109.9H246 K247 F248 V278 C279 R280 L281H246-C276 HydrophobicContact CB-CB 4.3Å; K247-C276 PolarHBondContact N-SG 2.82Å; K247-C276 VanDerWaalsContact N-SG 3.38Å; K247-C276 WeakPolarHBondContact O-CA 3.39Å; F248-C276 HydrophobicContact CD1-CB 4Å; F248-C276 HydrophobicContact CE1-CB 3.92Å; C276-V278 PolarHBondContact O-N 2.99Å; C276-V278 VanDerWaalsContact O-N 3.14Å; C276-C279 VanDerWaalsContact SG-SG 3.61Å; C276-R280 VanDerWaalsContact O-CA 3.23Å; C276-R280 WeakPolarHBondContact O-CA 3.44Å; C276-R280 PolarHBondContact O-N 3.23Å; C276-L281 HydrophobicContact CB-CB 4.33Å; C276-L281 PolarHBondContact N-O 3.41Å
277E93.6Very high88.2Confident75 Ų7564.4 Ų64.435%0.3532%0.315SS..THydrogen-bonded Turntrans-54.6-34.6179.5-69.8-179.3-163.300112.6K247 R249 R280K247-E277 HydrophobicContact CD-CB 4.39Å; K247-E277 HydrophobicContact CD-CG 4.48Å; K247-E277 VanDerWaalsContact CD-OE2 3.31Å; K247-E277 WeakPolarHBondContact CD-OE2 3.07Å; K247-E277 WeakPolarHBondContact CE-OE2 3.1Å; K247-E277 IonicContact NZ-OE1 3.73Å; K247-E277 IonicContact NZ-OE2 2.65Å; K247-E277 PolarHBondContact NZ-OE2 2.87Å; K247-E277 PolarHBondContact O-N 3.43Å; R249-E277 HydrophobicContact CG-CG 3.77Å; R249-E277 VanDerWaalsContact CG-OE1 3.27Å; R249-E277 WeakPolarHBondContact CG-OE1 3.46Å; R249-E277 IonicContact CZ-OE1 3.43Å; R249-E277 IonicContact NE-OE1 2.7Å; R249-E277 PolarHBondContact NE-OE1 3.05Å; R249-E277 IonicContact NH2-OE1 3.28Å; R249-E277 PolarHBondContact NH2-OE1 3.25Å; E277-R280 PolarHBondContact O-NE 2.82Å
278V90.7Very high88.9Confident98 Ų9862.4 Ų62.459%0.59431%0.307SS*.THydrogen-bonded Turntrans-84.6-72.5-173.3-177.70000111.4K247 C276K247-V278 HydrophobicContact CB-CG2 4.47Å; C276-V278 PolarHBondContact O-N 2.99Å; C276-V278 VanDerWaalsContact O-N 3.14Å
279C88.6Confident89.5Confident45 Ų4567.7 Ų67.730%0.30432%0.315SS..THydrogen-bonded Turntrans-86.1-4.9-173.865.50000114.7H246 C276 L281 C295H246-C279 VanDerWaalsContact CE1-SG 3.56Å; H246-C279 PolarHBondContact ND1-SG 2.85Å; C276-C279 VanDerWaalsContact SG-SG 3.61Å; C279-L281 PolarHBondContact O-N 3.19Å; C279-C295 VanDerWaalsContact SG-SG 3.69Å
280R91.8Very high90.3Very high119 Ų11960.5 Ų60.545%0.44928%0.278SS..  trans6219-178.7-54.3-62.6-176.1131.36.4116.1Q275 C276 E277 N282Q275-R280 VanDerWaalsContact OE1-CD 3.23Å; C276-R280 VanDerWaalsContact O-CA 3.23Å; C276-R280 WeakPolarHBondContact O-CA 3.44Å; C276-R280 PolarHBondContact O-N 3.23Å; E277-R280 PolarHBondContact O-NE 2.82Å; R280-N282 VanDerWaalsContact O-CG 3.26Å; R280-N282 PolarHBondContact O-ND2 3.43Å; R280-N282 PolarHBondContact O-OD1 3.43Å
281L90.7Very high90.6Very high40 Ų4054.4 Ų54.421%0.20925%0.248CC..  trans-58.8134.2167.1-165.681.3000110.7F248 D260 Q275 C276 C279 I283 V291F248-L281 HydrophobicContact CZ-CD2 4.21Å; D260-L281 HydrophobicContact CB-CD1 3.36Å; D260-L281 HydrophobicContact CB-CG 3.95Å; Q275-L281 CarbonylContact C-O 3.48Å; Q275-L281 WeakPolarHBondContact CA-O 3.47Å; C276-L281 HydrophobicContact CB-CB 4.33Å; C276-L281 PolarHBondContact N-O 3.41Å; C279-L281 PolarHBondContact O-N 3.19Å; L281-I283 HydrophobicContact CD2-CG2 4.4Å; L281-V291 HydrophobicContact CD2-CG1 3.9Å
282N93.5Very high90.6Very high30 Ų3048.3 Ų48.316%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-119.7127.7-171.6-46.3-80.1000109.9F253 C259 D260 L266 L274 Q275 R280F253-N282 HydrophobicContact CE1-CB 4.08Å; F253-N282 VanDerWaalsContact CE1-OD1 3.29Å; F253-N282 WeakPolarHBondContact CE1-OD1 3.45Å; F253-N282 HydrophobicContact CZ-CB 3.93Å; C259-N282 CarbonylContact C-O 3.55Å; C259-N282 WeakPolarHBondContact CA-O 3.28Å; D260-N282 PolarHBondContact N-O 2.81Å; D260-N282 PolarHBondContact OD2-N 2.86Å; D260-N282 PolarHBondContact OD2-ND2 3.43Å; L266-N282 HydrophobicContact CD1-CB 4.11Å; L274-N282 CarbonylContact O-C 3.07Å; L274-N282 WeakPolarHBondContact O-CA 3.29Å; Q275-N282 WeakPolarHBondContact CG-OD1 3.35Å; Q275-N282 PolarHBondContact NE2-OD1 3.37Å; R280-N282 VanDerWaalsContact O-CG 3.26Å; R280-N282 PolarHBondContact O-ND2 3.43Å; R280-N282 PolarHBondContact O-OD1 3.43Å
283I93.5Very high90.5Very high0 Ų049.6 Ų49.60%024%0.241CC..EExtended strand (participates in β ladder)trans-145.6160.7-175.360.8171.8000113.1F248 H261 L266 G273 L274 L281 C287 E288 V291F248-I283 HydrophobicContact CD1-CD1 4.19Å; F248-I283 HydrophobicContact CD1-CG1 4.3Å; F248-I283 HydrophobicContact CD2-CD1 4.26Å; F248-I283 HydrophobicContact CE1-CD1 3.63Å; F248-I283 HydrophobicContact CE1-CG1 3.83Å; F248-I283 HydrophobicContact CE2-CD1 3.68Å; F248-I283 HydrophobicContact CG-CD1 4.5Å; F248-I283 HydrophobicContact CZ-CD1 3.36Å; F248-I283 HydrophobicContact CZ-CG1 4.07Å; H261-I283 HydrophobicContact CB-CG2 4.02Å; L266-I283 VanDerWaalsContact CD2-C 3.41Å; G273-I283 CarbonylContact C-O 3.57Å; G273-I283 WeakPolarHBondContact CA-O 3.46Å; L274-I283 HydrophobicContact CB-CG1 3.93Å; L274-I283 HydrophobicContact CD1-CD1 4.22Å; L274-I283 HydrophobicContact CD1-CG1 4.27Å; L274-I283 PolarHBondContact N-O 3.5Å; L274-I283 PolarHBondContact O-N 3.34Å; L281-I283 HydrophobicContact CD2-CG2 4.4Å; I283-C287 HydrophobicContact CB-CB 4.27Å; I283-E288 HydrophobicContact CD1-CB 4.2Å; I283-V291 HydrophobicContact CD1-CG2 3.96Å; I283-V291 HydrophobicContact CG2-CG2 4.03Å
284H91.5Very high90.1Very high19 Ų1951.7 Ų51.79%0.08825%0.251CS..EExtended strand (participates in β ladder)trans-66.3150.7164.4-55.7102.4000110.5C259 C262 L265 L266 R286 C287C259-H284 VanDerWaalsContact CB-CE1 3.43Å; C259-H284 WeakPolarHBondContact CB-CE1 3.36Å; C259-H284 WeakPolarHBondContact CB-ND1 3.2Å; C259-H284 PolarHBondContact SG-ND1 2.87Å; C259-H284 VanDerWaalsContact SG-ND1 3.42Å; C262-H284 VanDerWaalsContact SG-CE1 3.57Å; C262-H284 PolarHBondContact SG-ND1 3.28Å; L265-H284 PolarHBondContact O-NE2 2.78Å; L266-H284 HydrophobicContact CD2-CB 4.47Å; H284-R286 HydrophobicContact CB-CG 3.77Å; H284-R286 PolarHBondContact O-N 2.89Å; H284-C287 HydrophobicContact CB-CB 4.44Å; H284-C287 WeakPolarHBondContact O-CB 3.45Å; H284-C287 PolarHBondContact O-N 3.48Å
285K90.7Very high89.7Confident106 Ų10652 Ų5246%0.46125%0.253SS..G310 helixtrans-53.4-37.9170.8-59.6162.7-168.3155.60112.3R271 L274 C287 E288R271-K285 WeakPolarHBondContact O-CE 3.47Å; R271-K285 PolarHBondContact O-NZ 3.2Å; L274-K285 HydrophobicContact CD2-CG 4.38Å; L274-K285 HydrophobicContact CG-CG 4.24Å; K285-C287 PolarHBondContact O-N 3.44Å; K285-E288 PolarHBondContact O-N 2.69Å
286R88.5Confident88.9Confident116 Ų11653.5 Ų53.544%0.43828%0.276SS..G310 helixtrans-65.2-22176.369.1175.7179.3-178.3-1.4114.3R26 H284R26-R286 PolarHBondContact O-NH1 2.85Å; H284-R286 HydrophobicContact CB-CG 3.77Å; H284-R286 PolarHBondContact O-N 2.89Å
287C90.9Very high88.1Confident1 Ų155.5 Ų55.51%0.00729%0.288CS..G310 helixtrans-92.2-9.2-176.3-65.10000113.2I283 H284 K285 K289 N290 V291I283-C287 HydrophobicContact CB-CB 4.27Å; H284-C287 HydrophobicContact CB-CB 4.44Å; H284-C287 WeakPolarHBondContact O-CB 3.45Å; H284-C287 PolarHBondContact O-N 3.48Å; K285-C287 PolarHBondContact O-N 3.44Å; C287-K289 VanDerWaalsContact C-N 3.35Å; C287-K289 PolarHBondContact O-N 3.17Å; C287-N290 WeakPolarHBondContact O-CA 3.3Å; C287-N290 WeakPolarHBondContact O-CB 3.39Å; C287-N290 PolarHBondContact O-N 3.16Å; C287-V291 PolarHBondContact O-N 3.17Å
288E91.9Very high87.1Confident95 Ų9555.6 Ų55.644%0.44429%0.291SS..G310 helixtrans-52.7-48.9-176.2-171.7166.8-147.600112.9F248 L274 I283 K285 N290F248-E288 HydrophobicContact CD2-CG 3.94Å; F248-E288 HydrophobicContact CE2-CG 4.39Å; L274-E288 HydrophobicContact CD1-CB 3.7Å; L274-E288 HydrophobicContact CD1-CG 3.78Å; L274-E288 WeakPolarHBondContact CD1-OE2 3.44Å; I283-E288 HydrophobicContact CD1-CB 4.2Å; K285-E288 PolarHBondContact O-N 2.69Å; E288-N290 PolarHBondContact O-N 2.71Å
289K88Confident86.2Confident163 Ų16352 Ų5271%0.70927%0.269SS*.G310 helixtrans-70.1-9.8175.857.7154-170.3175.10115.3C287C287-K289 VanDerWaalsContact C-N 3.35Å; C287-K289 PolarHBondContact O-N 3.17Å
290N88.1Confident85.3Confident16 Ų1656.2 Ų56.29%0.08628%0.279CS..G310 helixtrans-104-5.7-176.3-69.514.4000112.8C206 P223 H261 C287 E288C206-N290 HydrophobicContact CB-CB 4.28Å; C206-N290 WeakPolarHBondContact O-CB 3.4Å; C206-N290 PolarHBondContact O-ND2 2.92Å; P223-N290 WeakPolarHBondContact CG-O 3.42Å; H261-N290 PolarHBondContact CE1-O 3.3Å; C287-N290 WeakPolarHBondContact O-CA 3.3Å; C287-N290 WeakPolarHBondContact O-CB 3.39Å; C287-N290 PolarHBondContact O-N 3.16Å; E288-N290 PolarHBondContact O-N 2.71Å
291V86.7Confident84.6Confident17 Ų1755.6 Ų55.610%0.10328%0.284CS..SBendtrans-88.5134178.8172.80000110.6F248 H261 L281 I283 C287F248-V291 HydrophobicContact CZ-CG1 4.43Å; H261-V291 HydrophobicContact CB-CG2 3.89Å; L281-V291 HydrophobicContact CD2-CG1 3.9Å; I283-V291 HydrophobicContact CD1-CG2 3.96Å; I283-V291 HydrophobicContact CG2-CG2 4.03Å; C287-V291 PolarHBondContact O-N 3.17Å
292A83.7Confident83.8Confident19 Ų1955.8 Ų55.816%0.15729%0.285CS..  trans-71.7139.5175.700000112T220 H246 H294T220-A292 HydrophobicContact CG2-CB 3.91Å; H246-A292 PolarHBondContact NE2-O 3.32Å; A292-H294 VanDerWaalsContact C-N 3.34Å; A292-H294 PolarHBondContact O-N 2.82Å; A292-H294 PolarHBondContact O-ND1 2.88Å
293S83.1Confident82.6Confident50 Ų5055 Ų5535%0.3528%0.282SS..SBendtrans-73.669.7-176.8-61.20000113.9N243 V244N243-S293 CarbonylContact C-O 3.6Å; N243-S293 VanDerWaalsContact CA-O 3.3Å; N243-S293 WeakPolarHBondContact CA-O 3.36Å; N243-S293 WeakPolarHBondContact OD1-CB 3.41Å; V244-S293 CarbonylContact C-O 3.44Å; V244-S293 PolarHBondContact N-O 2.78Å; V244-S293 CarbonylContact O-C 3.57Å; V244-S293 VanDerWaalsContact O-O 3.09Å
294H82.4Confident81.5Confident44 Ų4457.3 Ų57.320%0.20430%0.301CS..BIsolated β-bridgetrans-126.941-177.366.4-63.2000112.8V244 A292 G296 V297 T299V244-H294 PolarHBondContact O-N 2.89Å; A292-H294 VanDerWaalsContact C-N 3.34Å; A292-H294 PolarHBondContact O-N 2.82Å; A292-H294 PolarHBondContact O-ND1 2.88Å; H294-G296 PolarHBondContact O-N 2.86Å; H294-V297 HydrophobicContact CB-CG2 4.36Å; H294-V297 WeakPolarHBondContact O-CB 3.24Å; H294-V297 WeakPolarHBondContact O-CG2 3.3Å; H294-V297 PolarHBondContact O-N 2.93Å; H294-V297 VanDerWaalsContact O-N 3.16Å; H294-T299 VanDerWaalsContact CD2-CG2 3.5Å; H294-T299 WeakPolarHBondContact CD2-CG2 3.49Å; H294-T299 VanDerWaalsContact NE2-CG2 3.34Å; H294-T299 WeakPolarHBondContact NE2-CG2 3.35Å
295C85.8Confident80.6Confident12 Ų1258.5 Ų58.58%0.08131%0.314CS..THydrogen-bonded Turntrans-60124.6-172.5-178.80000112.9V244 H246 C279V244-C295 HydrophobicContact CB-CB 4.46Å; V244-C295 HydrophobicContact CG1-CB 4.12Å; V244-C295 WeakPolarHBondContact O-CB 3.07Å; V244-C295 PolarHBondContact O-N 2.85Å; H246-C295 HydrophobicContact CB-CB 4.34Å; H246-C295 PolarHBondContact NE2-N 3.24Å; C279-C295 VanDerWaalsContact SG-SG 3.69Å
296G79Confident79.6Confident58 Ų5854.2 Ų54.260%0.59830%0.296SS*.THydrogen-bonded Turntrans93.6-9.9179.600000114.3H294H294-G296 PolarHBondContact O-N 2.86Å
297V76.4Confident78.8Confident42 Ų4254.7 Ų54.726%0.25530%0.298SS..  trans-81.6127.4175.4-1750000110.1I242 H294 T299 L302I242-V297 HydrophobicContact CB-CG2 4.29Å; I242-V297 HydrophobicContact CD1-CG1 4.18Å; I242-V297 HydrophobicContact CD1-CG2 3.8Å; I242-V297 HydrophobicContact CG2-CG2 3.61Å; H294-V297 HydrophobicContact CB-CG2 4.36Å; H294-V297 WeakPolarHBondContact O-CB 3.24Å; H294-V297 WeakPolarHBondContact O-CG2 3.3Å; H294-V297 PolarHBondContact O-N 2.93Å; H294-V297 VanDerWaalsContact O-N 3.16Å; V297-T299 PolarHBondContact O-N 3.04Å; V297-L302 HydrophobicContact CG1-CB 4.39Å; V297-L302 HydrophobicContact CG1-CD2 3.8Å
298N72.9Confident77.9Confident77 Ų7762 Ų6241%0.41234%0.336SS..  trans-83.7103.7163.8-179.6-20.3000108.7R300 N301 L302N298-R300 VanDerWaalsContact C-N 3.27Å; N298-R300 PolarHBondContact O-N 2.84Å; N298-R300 WeakPolarHBondContact OD1-CB 3.39Å; N298-R300 PolarHBondContact OD1-N 2.92Å; N298-N301 HydrophobicContact CB-CB 4.15Å; N298-N301 VanDerWaalsContact ND2-CG 3.34Å; N298-N301 PolarHBondContact ND2-OD1 2.76Å; N298-N301 PolarHBondContact O-N 2.89Å; N298-N301 PolarHBondContact OD1-N 3.22Å; N298-L302 PolarHBondContact O-N 3.31Å
299T72Confident77Confident22 Ų2262 Ų6214%0.13535%0.346CS..Hα-helixtrans-59.4-32.9-178.643.20000113.4I219 H294 V297 L302 V303I219-T299 HydrophobicContact CD1-CG2 4.4Å; H294-T299 VanDerWaalsContact CD2-CG2 3.5Å; H294-T299 WeakPolarHBondContact CD2-CG2 3.49Å; H294-T299 VanDerWaalsContact NE2-CG2 3.34Å; H294-T299 WeakPolarHBondContact NE2-CG2 3.35Å; V297-T299 PolarHBondContact O-N 3.04Å; T299-L302 PolarHBondContact O-N 3.25Å; T299-V303 WeakPolarHBondContact O-CB 3.4Å; T299-V303 WeakPolarHBondContact O-CG2 3.41Å; T299-V303 PolarHBondContact O-N 3.42Å
300R71.2Confident75.6Confident134 Ų13457.7 Ų57.751%0.50635%0.347SS..Hα-helixtrans-67.9-44.4178.1-57163.282.7157.411.7110.8L188 C189 N298 L302 V303 A304L188-R300 WeakPolarHBondContact O-CD 3.21Å; L188-R300 WeakPolarHBondContact O-CG 3.36Å; C189-R300 PolarHBondContact O-NH1 3.25Å; C189-R300 PolarHBondContact O-NH2 3.16Å; C189-R300 VanDerWaalsContact O-NH2 3.14Å; N298-R300 VanDerWaalsContact C-N 3.27Å; N298-R300 PolarHBondContact O-N 2.84Å; N298-R300 WeakPolarHBondContact OD1-CB 3.39Å; N298-R300 PolarHBondContact OD1-N 2.92Å; R300-L302 VanDerWaalsContact C-N 3.31Å; R300-L302 PolarHBondContact O-N 3.15Å; R300-V303 PolarHBondContact O-N 3.27Å; R300-A304 WeakPolarHBondContact O-CB 3.08Å; R300-A304 PolarHBondContact O-N 3.05Å
301N75.9Confident74.5Confident107 Ų10760.5 Ų60.557%0.57236%0.362SS*.Hα-helixtrans-65.9-36176.1-66.320.2000111.2N298 A304 A305N298-N301 HydrophobicContact CB-CB 4.15Å; N298-N301 VanDerWaalsContact ND2-CG 3.34Å; N298-N301 PolarHBondContact ND2-OD1 2.76Å; N298-N301 PolarHBondContact O-N 2.89Å; N298-N301 PolarHBondContact OD1-N 3.22Å; N301-A304 PolarHBondContact O-N 3.12Å; N301-A305 WeakPolarHBondContact O-CB 3.47Å; N301-A305 PolarHBondContact O-N 3.42Å
302L73.5Confident73.2Confident43 Ų4364.1 Ų64.123%0.22538%0.381CS..Hα-helixtrans-69.5-40.1175.5-17651.7000112.1I219 I242 V297 N298 T299 R300 A305 I306I219-L302 HydrophobicContact CD1-CB 3.97Å; I219-L302 HydrophobicContact CD1-CD2 3.55Å; I219-L302 HydrophobicContact CD1-CG 3.64Å; I242-L302 HydrophobicContact CD1-CD2 3.85Å; V297-L302 HydrophobicContact CG1-CB 4.39Å; V297-L302 HydrophobicContact CG1-CD2 3.8Å; N298-L302 PolarHBondContact O-N 3.31Å; T299-L302 PolarHBondContact O-N 3.25Å; R300-L302 VanDerWaalsContact C-N 3.31Å; R300-L302 PolarHBondContact O-N 3.15Å; L302-A305 PolarHBondContact O-N 3.19Å; L302-I306 HydrophobicContact CD1-CD1 4.25Å; L302-I306 HydrophobicContact CD1-CG1 4.42Å; L302-I306 HydrophobicContact CG-CD1 4.1Å; L302-I306 WeakPolarHBondContact O-CB 3.49Å; L302-I306 WeakPolarHBondContact O-CD1 3.48Å; L302-I306 VanDerWaalsContact O-CG1 3.24Å; L302-I306 WeakPolarHBondContact O-CG1 3.45Å; L302-I306 PolarHBondContact O-N 2.56Å
303V69.2Low72Confident14 Ų1463.5 Ų63.59%0.08538%0.375CS..Hα-helixtrans-61.5-42.7171.1164.70000111.5N217 I219 T299 R300 I306 R307 P313N217-V303 HydrophobicContact CB-CG1 4.34Å; N217-V303 WeakPolarHBondContact O-CG2 3.4Å; I219-V303 HydrophobicContact CD1-CG2 4.27Å; I219-V303 HydrophobicContact CG1-CG2 4.44Å; I219-V303 HydrophobicContact CG2-CG2 3.81Å; T299-V303 WeakPolarHBondContact O-CB 3.4Å; T299-V303 WeakPolarHBondContact O-CG2 3.41Å; T299-V303 PolarHBondContact O-N 3.42Å; R300-V303 PolarHBondContact O-N 3.27Å; V303-I306 PolarHBondContact O-N 3.42Å; V303-R307 WeakPolarHBondContact O-CG 3.39Å; V303-R307 PolarHBondContact O-N 2.86Å; V303-P313 HydrophobicContact CG1-CG 3.94Å; V303-P313 HydrophobicContact CG2-CG 4.48Å
304A70.7Confident70.6Confident49 Ų4963 Ų6341%0.40537%0.372SS..Hα-helixtrans-62.8-43.7175.400000111.8R300 N301 R307 L308R300-A304 WeakPolarHBondContact O-CB 3.08Å; R300-A304 PolarHBondContact O-N 3.05Å; N301-A304 PolarHBondContact O-N 3.12Å; A304-R307 PolarHBondContact O-N 2.61Å; A304-L308 WeakPolarHBondContact O-CB 3.38Å; A304-L308 VanDerWaalsContact O-CG 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.35Å; A304-L308 PolarHBondContact O-N 2.97Å
305A72Confident69.3Low44 Ų4465.1 Ų65.136%0.36438%0.384SS..Hα-helixtrans-62.9-41.1175.100000112.7N301 L302 L308 C309N301-A305 WeakPolarHBondContact O-CB 3.47Å; N301-A305 PolarHBondContact O-N 3.42Å; L302-A305 PolarHBondContact O-N 3.19Å; A305-L308 PolarHBondContact O-N 2.9Å; A305-C309 PolarHBondContact O-N 2.82Å; A305-C309 PolarHBondContact O-SG 2.75Å; A305-C309 VanDerWaalsContact O-SG 3.36Å
306I69.9Low67.7Low16 Ų1667.6 Ų67.68%0.08240%0.396CS..Hα-helixtrans-59.3-47.3174.9-75.2163.3000110.7I219 L302 V303 C309 L311 P313 L316I219-I306 HydrophobicContact CG2-CD1 4.04Å; L302-I306 HydrophobicContact CD1-CD1 4.25Å; L302-I306 HydrophobicContact CD1-CG1 4.42Å; L302-I306 HydrophobicContact CG-CD1 4.1Å; L302-I306 WeakPolarHBondContact O-CB 3.49Å; L302-I306 WeakPolarHBondContact O-CD1 3.48Å; L302-I306 VanDerWaalsContact O-CG1 3.24Å; L302-I306 WeakPolarHBondContact O-CG1 3.45Å; L302-I306 PolarHBondContact O-N 2.56Å; V303-I306 PolarHBondContact O-N 3.42Å; I306-C309 WeakPolarHBondContact O-CB 3.02Å; I306-C309 PolarHBondContact O-N 3.41Å; I306-C309 VanDerWaalsContact O-N 3.14Å; I306-L311 CarbonylContact C-O 3.58Å; I306-L311 HydrophobicContact CG2-CB 4.05Å; I306-L311 WeakPolarHBondContact CG2-O 3.43Å; I306-L311 PolarHBondContact O-N 2.9Å; I306-P313 HydrophobicContact CG2-CG 4.09Å; I306-L316 HydrophobicContact CD1-CD1 4.19Å; I306-L316 HydrophobicContact CG1-CD1 4.17Å; I306-L316 HydrophobicContact CG2-CD1 3.98Å
307R70.9Confident65.8Low126 Ų12666.6 Ų66.648%0.47539%0.386SS..Hα-helixtrans-62.2-42.3175.4-71.1176.4176.2-137.80.4112.4N217 V303 A304 C309 G310 P313N217-R307 PolarHBondContact OD1-NH2 2.71Å; V303-R307 WeakPolarHBondContact O-CG 3.39Å; V303-R307 PolarHBondContact O-N 2.86Å; A304-R307 PolarHBondContact O-N 2.61Å; R307-C309 PolarHBondContact O-N 2.53Å; R307-G310 PolarHBondContact O-N 3.07Å; R307-P313 HydrophobicContact CG-CG 4.5Å
308L73.2Confident63.7Low154 Ų15469.9 Ų69.981%0.80641%0.406SS*.Hα-helixtrans-63.4-22.2175.4-74.1167.4000113.3A304 A305 G310A304-L308 WeakPolarHBondContact O-CB 3.38Å; A304-L308 VanDerWaalsContact O-CG 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.35Å; A304-L308 PolarHBondContact O-N 2.97Å; A305-L308 PolarHBondContact O-N 2.9Å; L308-G310 VanDerWaalsContact C-N 3.27Å
309C72.3Confident61.5Low96 Ų9669.1 Ų69.165%0.64941%0.406SS*.THydrogen-bonded Turntrans-83.35.5170.4-66.80000114.1A305 I306 R307 L311A305-C309 PolarHBondContact O-N 2.82Å; A305-C309 PolarHBondContact O-SG 2.75Å; A305-C309 VanDerWaalsContact O-SG 3.36Å; I306-C309 WeakPolarHBondContact O-CB 3.02Å; I306-C309 PolarHBondContact O-N 3.41Å; I306-C309 VanDerWaalsContact O-N 3.14Å; R307-C309 PolarHBondContact O-N 2.53Å; C309-L311 VanDerWaalsContact C-N 3.34Å; C309-L311 HydrophobicContact CB-CD1 4.03Å; C309-L311 HydrophobicContact CB-CG 4.36Å
310G58.9Low59.4Low72 Ų7273.9 Ų73.974%0.74244%0.438SS*.THydrogen-bonded Turntrans73.124.1-178.300000113.9R307 L308R307-G310 PolarHBondContact O-N 3.07Å; L308-G310 VanDerWaalsContact C-N 3.27Å
311L66.1Low57.5Low74 Ų7469.7 Ų69.739%0.38743%0.429SS..  trans-117135.2-176.3-63.2166.8000110.2I306 C309 L316I306-L311 CarbonylContact C-O 3.58Å; I306-L311 HydrophobicContact CG2-CB 4.05Å; I306-L311 WeakPolarHBondContact CG2-O 3.43Å; I306-L311 PolarHBondContact O-N 2.9Å; C309-L311 VanDerWaalsContact C-N 3.34Å; C309-L311 HydrophobicContact CB-CD1 4.03Å; C309-L311 HydrophobicContact CB-CG 4.36Å; L311-L316 HydrophobicContact CB-CD2 4.05Å; L311-L316 HydrophobicContact CD1-CD2 3.95Å; L311-L316 HydrophobicContact CD2-CD2 4.03Å; L311-L316 HydrophobicContact CG-CD2 4.22Å
312N57.7Low55.3Low94 Ų9467.3 Ų67.350%0.50343%0.43SS..  trans-78.7138.7170.2-57.8-57.9000110.5S314 D315 L316N312-S314 VanDerWaalsContact CB-OG 3.24Å; N312-S314 WeakPolarHBondContact CB-OG 3.48Å; N312-S314 PolarHBondContact O-N 2.93Å; N312-D315 HydrophobicContact CB-CB 4.4Å; N312-D315 WeakPolarHBondContact CB-OD2 3.4Å; N312-D315 PolarHBondContact ND2-OD2 2.86Å; N312-D315 PolarHBondContact O-N 3.39Å; N312-D315 VanDerWaalsContact O-N 3.1Å; N312-L316 PolarHBondContact O-N 2.95Å
313P58.8Low53.2Low6 Ų671.4 Ų71.44%0.03946%0.457CS..THydrogen-bonded Turntrans-56.2-33.3172-27.535.8000113.8K171 I219 V303 I306 R307 D315 L316K171-P313 WeakPolarHBondContact CE-O 3.45Å; K171-P313 PolarHBondContact NZ-O 3.1Å; I219-P313 HydrophobicContact CG2-CB 3.88Å; V303-P313 HydrophobicContact CG1-CG 3.94Å; V303-P313 HydrophobicContact CG2-CG 4.48Å; I306-P313 HydrophobicContact CG2-CG 4.09Å; R307-P313 HydrophobicContact CG-CG 4.5Å; P313-D315 VanDerWaalsContact C-N 3.33Å; P313-D315 PolarHBondContact O-N 3.22Å; P313-L316 PolarHBondContact O-N 3.07Å
314S54.3Low51.7Low40 Ų4073 Ų7328%0.2847%0.467SS..THydrogen-bonded Turntrans-55.9-45.4173.646.70000112.4K171 N312 L316K171-S314 PolarHBondContact NZ-O 2.98Å; N312-S314 VanDerWaalsContact CB-OG 3.24Å; N312-S314 WeakPolarHBondContact CB-OG 3.48Å; N312-S314 PolarHBondContact O-N 2.93Å; S314-L316 PolarHBondContact O-N 2.82Å
315D54.5Low49.9Very low88 Ų8876.1 Ų76.147%0.47148%0.481SS..THydrogen-bonded Turntrans-79-15.7-169.9-48.2-6.5000111.1N312 P313 G317 V318N312-D315 HydrophobicContact CB-CB 4.4Å; N312-D315 WeakPolarHBondContact CB-OD2 3.4Å; N312-D315 PolarHBondContact ND2-OD2 2.86Å; N312-D315 PolarHBondContact O-N 3.39Å; N312-D315 VanDerWaalsContact O-N 3.1Å; P313-D315 VanDerWaalsContact C-N 3.33Å; P313-D315 PolarHBondContact O-N 3.22Å; D315-G317 PolarHBondContact O-N 2.74Å; D315-V318 PolarHBondContact O-N 3.37Å
316L52.4Low48.2Very low63 Ų6375.8 Ų75.833%0.3347%0.473SS..THydrogen-bonded Turntrans-43.947.5163.650.1116.4000117K171 I306 L311 N312 P313 S314K171-L316 PolarHBondContact NZ-O 3.32Å; I306-L316 HydrophobicContact CD1-CD1 4.19Å; I306-L316 HydrophobicContact CG1-CD1 4.17Å; I306-L316 HydrophobicContact CG2-CD1 3.98Å; L311-L316 HydrophobicContact CB-CD2 4.05Å; L311-L316 HydrophobicContact CD1-CD2 3.95Å; L311-L316 HydrophobicContact CD2-CD2 4.03Å; L311-L316 HydrophobicContact CG-CD2 4.22Å; N312-L316 PolarHBondContact O-N 2.95Å; P313-L316 PolarHBondContact O-N 3.07Å; S314-L316 PolarHBondContact O-N 2.82Å
317G40.3Very low46.6Very low37 Ų3778.8 Ų78.838%0.38149%0.492SS..THydrogen-bonded Turntrans127.711.5178.900000116.4D315 S319D315-G317 PolarHBondContact O-N 2.74Å; G317-S319 PolarHBondContact O-N 2.85Å
318V32Very low44.9Very low111 Ų11178 Ų7867%0.67350%0.503SS*.  trans-75.9103.6168.3-179.50000108.5D315D315-V318 PolarHBondContact O-N 3.37Å
319S26.6Very low43.1Very low61 Ų6173.9 Ų73.943%0.42750%0.498SS..  trans-78.5135.3166.8-65.60000110G317 S321G317-S319 PolarHBondContact O-N 2.85Å; S319-S321 PolarHBondContact O-N 3.28Å
320P27.9Very low41.2Very low122 Ų12276.2 Ų76.279%0.79251%0.512SS*.SBendtrans-61.1124.2163.2-16.229.8000109.1G322P320-G322 PolarHBondContact O-N 3.22Å
321S30.5Very low39.9Very low46 Ų4676 Ų7632%0.32251%0.51SS..  trans1887.2-177.2-79.40000115.3R104 D105 S319 T323R104-S321 PolarHBondContact NE-OG 3.31Å; R104-S321 PolarHBondContact NH2-OG 3.41Å; D105-S321 WeakPolarHBondContact OD2-CB 3.44Å; D105-S321 PolarHBondContact OD2-OG 3.24Å; S319-S321 PolarHBondContact O-N 3.28Å; S321-T323 PolarHBondContact O-N 2.72Å
322G29.4Very low38.4Very low58 Ų5879.7 Ų79.760%0.59854%0.535SS*.PPolyproline II helixtrans-62.4120.5160.100000109P320 T324P320-G322 PolarHBondContact O-N 3.22Å; G322-T324 PolarHBondContact O-N 3.35Å
323T29.5Very low37.2Very low129 Ų12981.3 Ų81.379%0.79155%0.549SS*.PPolyproline II helixtrans-52.4119-170.8-51.20000112.6S321 T325S321-T323 PolarHBondContact O-N 2.72Å; T323-T325 PolarHBondContact O-N 3.33Å
324T37.4Very low36Very low46 Ų4686.8 Ų86.828%0.28259%0.587SS.*PPolyproline II helixtrans-58.7121.3171.8-46.90000109.5G322 L326G322-T324 PolarHBondContact O-N 3.35Å; T324-L326 HydrophobicContact CG2-CD2 4.12Å; T324-L326 HydrophobicContact CG2-CG 4.31Å; T324-L326 PolarHBondContact O-N 2.55Å
325T33.3Very low35Very low116 Ų11690.2 Ų90.271%0.71261%0.608SS**  trans-76.874.5-178.4-53.10000110.7T323 T327T323-T325 PolarHBondContact O-N 3.33Å; T325-T327 PolarHBondContact O-N 2.9Å
326L36.3Very low33.9Very low36 Ų3691.1 Ų91.119%0.18862%0.622CS.*  trans-68.198.1178.9-65.3169.2000110.5R107 M112 L114 T324 P328R107-L326 HydrophobicContact CG-CD1 4.09Å; M112-L326 HydrophobicContact CB-CD2 4.13Å; M112-L326 HydrophobicContact CG-CD2 4.46Å; M112-L326 HydrophobicContact SD-CD2 4Å; L114-L326 HydrophobicContact CD2-CD2 4.44Å; T324-L326 HydrophobicContact CG2-CD2 4.12Å; T324-L326 HydrophobicContact CG2-CG 4.31Å; T324-L326 PolarHBondContact O-N 2.55Å; L326-P328 WeakPolarHBondContact O-CD 3.44Å
327T36.1Very low33Very low80 Ų80100.1 Ų100.149%0.49165%0.651SS.*PPolyproline II helixtrans-83.2118.9174.150.70000111.2T325T325-T327 PolarHBondContact O-N 2.9Å
328P36.6Very low32.5Very low109 Ų109104.7 Ų104.771%0.70867%0.672SS**PPolyproline II helixtrans-67.4152.3172.2-17.932.4000112.2L326L326-P328 WeakPolarHBondContact O-CD 3.44Å
329G34.1Very low32.5Very low68 Ų68104.2 Ų104.270%0.70168%0.679SS**PPolyproline II helixtrans-66.2148.8171.200000112.7G331G329-G331 PolarHBondContact O-N 3.48Å; G329-G331 VanDerWaalsContact O-N 3.17Å
330P32.5Very low32.5Very low144 Ų144106.5 Ų106.594%0.93570%0.695SS**SBendtrans-80.398.3-174.931.5-34.7000112.5
331G32.2Very low32.8Very low67 Ų67107.4 Ų107.469%0.69170%0.699SS**  trans171.492.1168.300000116.9G329G329-G331 PolarHBondContact O-N 3.48Å; G329-G331 VanDerWaalsContact O-N 3.17Å
332V34.1Very low32.6Very low152 Ų152111.4 Ų111.492%0.92172%0.722SS**  trans167.3143141.9150.80000108.5
333T31.9Very low32.7Very low129 Ų129116.9 Ų116.979%0.79174%0.735SS**  trans-115.5131.1-170.146.50000113.2
334S33.2Very low32.9Very low121 Ų121115.5 Ų115.585%0.84673%0.731SS**  trans174.8160.1134.5-82.20000112.6
335P34.7Very low32.4Very low112 Ų112118.6 Ų118.673%0.72775%0.754SS**  trans-125.3174.8-157.940.4-26000117
336S30.6Very low32.4Very low107 Ų107120.2 Ų120.275%0.74876%0.764SS**  trans98.4111152.1-42.20000119.1
337R33.8Very low32.2Very low252 Ų252129.1 Ų129.195%0.95180%0.795SS**  -168.8155.7102.5-107.3178.3163.5-145.8-6.2113
338T29.1Very low31.8Very low133 Ų133131.5 Ų131.582%0.81681%0.812SS**  trans-113.9142-171.1-32.70000111.7
339A32.8Very low31.6Very low100 Ų100134.2 Ų134.283%0.82682%0.819SS**  trans-150.1142.3156.400000108.8
340S27.5Very low31.3Very low109 Ų109136 Ų13676%0.76282%0.82SS**  trans-141.6131.4-176.6-55.10000110.8
341T32.4Very low31.1Very low141 Ų141134.3 Ų134.387%0.86582%0.818SS**  trans-143119.7166.9-44.30000110
342T26.7Very low31.1Very low131 Ų131134.8 Ų134.880%0.80482%0.824SS**  trans-91.9146.8170.648.50000111
343I32.5Very low30.9Very low173 Ų173133.1 Ų133.189%0.88782%0.819SS**  trans-159.1159.3153.9-106.6149.8000109.7
344S32.1Very low30.8Very low99 Ų99139 Ų13969%0.69283%0.827SS**  trans-117.7152.4-152.2-50.50000115.8
345S28.6Very low30.8Very low111 Ų111136.8 Ų136.878%0.77682%0.823SS**  trans43.9116.2139.863.50000121.1
346V32.4Very low30.8Very low150 Ų150138.5 Ų138.591%0.90983%0.83SS**  trans-135.1153.7152.5-174.70000109.8
347R31.9Very low31Very low223 Ų223136.6 Ų136.684%0.84283%0.828SS**  trans-90.5159.6-177.5-70.8179.7178.3-178.5-0.5112.5
348P27.9Very low31.2Very low130 Ų130129.9 Ų129.984%0.84482%0.817SS**  trans-72.3153.7176.131.2-36.8000112.9
349I31.9Very low31.5Very low167 Ų167133.3 Ų133.386%0.85682%0.821SS**  trans-129.9145.7174.5-64179.7000109.2
350S29Very low31.5Very low104 Ų104131.8 Ų131.873%0.72782%0.815SS**  trans-101.8148.2-174.853.80000113.8
351A28.9Very low31.8Very low109 Ų109131.2 Ų131.290%0.90182%0.817SS**  trans50114.5151.500000119.4
352G31.8Very low32Very low78 Ų78135.9 Ų135.980%0.80482%0.82SS**  trans-156.5141.8163.700000110.4
353S29.1Very low32.4Very low117 Ų117132.6 Ų132.682%0.81881%0.813SS**  trans-126.4160.8-172.9-55.60000113
354R30.7Very low32.3Very low253 Ų253131.5 Ų131.596%0.95581%0.808SS**  trans88.1128.3166.6-55.3-179.8174.5-173.3-2.6117.8
355G33.3Very low32.3Very low74 Ų74134 Ų13476%0.76382%0.819SS**  trans-167.7131159.300000106.8
356V34.2Very low32.3Very low147 Ų147133.4 Ų133.489%0.89181%0.811SS**  trans-136.7141.4-168.71760000110.7
357G34Very low32.3Very low68 Ų68135.5 Ų135.570%0.70181%0.808SS**  trans-148.4147.4166.300000110.7
358P38.4Very low32.1Very low110 Ų110129 Ų12971%0.71480%0.797SS**  trans-127.3170.8-154.441.3-27000116.4
359F34.8Very low32.3Very low206 Ų206128.7 Ų128.790%0.90479%0.793SS**  175.6139.5122.6-106.4-75.6000114.5
360G32.6Very low32.2Very low68 Ų68125.8 Ų125.870%0.70179%0.787SS**  trans79.2121.1169.800000116.2
361A35.3Very low32.4Very low96 Ų96127.1 Ų127.179%0.79379%0.794SS**  cis75.1130.221.300000114.9
362Y35.7Very low32.6Very low239 Ų239125.7 Ų125.794%0.93779%0.789SS**  cis-127.3170.911.8-93.6-111000111.4
363G34.5Very low32.7Very low63 Ų63127.9 Ų127.965%0.64979%0.789SS**  cis179.8169.80.400000112.5
364D31Very low33Very low149 Ų149130.8 Ų130.880%0.79780%0.795SS**  trans-100.3160.7-159.2-41.5-102.9000118V366D364-V366 HydrophobicContact CB-CG2 4.37Å
365V32.6Very low33.1Very low151 Ų151128.3 Ų128.392%0.91579%0.791SS**  trans-142.7150.3136.8-171.40000108.9
366V28.7Very low32.9Very low100 Ų100130.6 Ų130.661%0.60679%0.792SS**  trans-134.3171.3-163.7-178.70000112.4D364D364-V366 HydrophobicContact CB-CG2 4.37Å
367F32Very low32.9Very low193 Ų193129.4 Ų129.485%0.84679%0.791SS**  trans105.4146.9156.4-67.2-95.1000118.8
368S28.2Very low32.9Very low87 Ų87136.3 Ų136.361%0.60880%0.801SS**  cis-173.8153.4-34.6-158.60000113.5
369T30.7Very low32.7Very low123 Ų123134 Ų13476%0.75580%0.798SS**  trans68158.6164.984.70000117.3
370S30Very low32.6Very low107 Ų107131.4 Ų131.475%0.74879%0.793SS**  cis-142.91464.7-68.20000112
371P34.7Very low32.7Very low132 Ų132134.4 Ų134.486%0.85780%0.798SS**  trans-101.4147.6168.936.7-31000113.5
372G32.6Very low32.6Very low79 Ų79133.6 Ų133.681%0.81480%0.799SS**  trans-122.6126.1178.300000113.5
373P34.3Very low32.3Very low123 Ų123131.9 Ų131.980%0.79980%0.797SS**  trans-99.6151.8-177.636.7-33.7000114.1
374L34Very low32.1Very low179 Ų179133.4 Ų133.494%0.93780%0.798SS**  trans-118.4155.9167.3-78.3171.1000111.9
375K32.8Very low32Very low201 Ų201131.5 Ų131.587%0.87480%0.796SS**PPolyproline II helixtrans-93.5146-156.4-59.7171.2-178.7171.70114
376P30Very low31.8Very low121 Ų121129.7 Ų129.779%0.78679%0.79SS**PPolyproline II helixtrans-83.2149.6157.834.8-32.7000111.8
377S34.9Very low31.9Very low123 Ų123130.7 Ų130.786%0.8680%0.801SS**PPolyproline II helixtrans-95.4161.3167.146.80000111.5
378K32.5Very low31.6Very low212 Ų212129.5 Ų129.592%0.92280%0.803SS**  trans-118.9156.1-173.7-69-177176.2-177.40112.6
379G34.2Very low31.6Very low63 Ų63133.6 Ų133.665%0.64982%0.816SS**  trans140.1134.5156.300000113.2
380D34Very low31.3Very low150 Ų150131.2 Ų131.280%0.80282%0.816SS**  cis-156.2162.3-19.9-114.5-37.9000111.6
381T34.8Very low31.2Very low132 Ų132133.2 Ų133.281%0.8182%0.823SS**  trans5.4134.6165.162.30000122
382G31.6Very low30.9Very low79 Ų79131 Ų13181%0.81482%0.816SS**  trans168.395.1156.900000119.4
383F31.4Very low30.6Very low203 Ų203133 Ų13389%0.8982%0.815SS**  trans-5.3128.2162.9-83.2-99.9000122.7
384S29.9Very low30.3Very low95 Ų95135.4 Ų135.466%0.66482%0.815SS**  59.4115.3126.9-61.80000123.8
385S28.5Very low29.9Very low108 Ų108133.9 Ų133.976%0.75580%0.803SS**  73.4115.2125.6-54.60000121.7
386S29.1Very low29.6Very low114 Ų114134.1 Ų134.180%0.79780%0.799SS**  trans80.2151.6147.3-56.90000119.7
387S29.9Very low29.5Very low120 Ų120132.8 Ų132.884%0.83979%0.792SS**  trans89.6140.9173.8-40.60000116.3
388L25.8Very low29.1Very low168 Ų168133.7 Ų133.788%0.8879%0.787SS**  trans-77.9142.4172.9-60.480.8000109.9
389I27.8Very low28.8Very low174 Ų174129.3 Ų129.389%0.89278%0.783SS**  trans-155.5150144.1-101.3144.8000107.4
390G25.4Very low28.4Very low73 Ų73130.5 Ų130.575%0.75378%0.781SS**PPolyproline II helixtrans-82.4148.1-163.100000115.3
391V28.1Very low28.1Very low148 Ų148126.1 Ų126.190%0.89776%0.761SS**PPolyproline II helixtrans-87.4123.1155.4178.90000107.5
392A27.4Very low27.8Very low85 Ų85125.9 Ų125.970%0.70275%0.754SS**PPolyproline II helixtrans-71.2149.1176.800000111.1
393P26.7Very low27.7Very low122 Ų122126.4 Ų126.479%0.79275%0.745SS**PPolyproline II helixtrans-78.3136.8-172.131.4-34.9000112.4
394H27.6Very low27.5Very low173 Ų173124.5 Ų124.580%0.80174%0.74SS**PPolyproline II helixtrans-96.1145.2163.5-133.5-88.8000109.9
395E26.5Very low27.7Very low147 Ų147125.9 Ų125.969%0.68775%0.747SS**  trans48.289.3172.2-60.6-49.394.200118.4
396R25.4Very low27.6Very low206 Ų206125 Ų12578%0.77775%0.746SS**  trans-102.990.5153.1-92.2-172.9170.3175.3-1.7110.4
397S28.8Very low27.8Very low93 Ų93125.5 Ų125.565%0.6575%0.745SS**  trans-145.1134.6170.7-68.10000109.5
398L26.7Very low27.8Very low142 Ų142127.3 Ų127.374%0.74375%0.745SS**  cis-143.7124.8-13.5-101.1164.2000107.1S400L398-S400 PolarHBondContact O-N 3.24Å
399S25.8Very low28Very low121 Ų121127.4 Ų127.485%0.84675%0.746SS**  trans-7974.3164.560.30000108.6P401S399-P401 VanDerWaalsContact O-CD 3.25Å; S399-P401 WeakPolarHBondContact O-CD 3.4Å
400S25.4Very low28.3Very low88 Ų88125.1 Ų125.162%0.61575%0.745SS**  trans-64.3115-176.3-67.10000111.1L398L398-S400 PolarHBondContact O-N 3.24Å
401P28.6Very low28.7Very low57 Ų57125.6 Ų125.637%0.3775%0.75SS.*  trans-86.7113.6171.330.8-21.2000108.3R255 S399 S403R255-P401 VanDerWaalsContact CD-CG 3.4Å; S399-P401 VanDerWaalsContact O-CD 3.25Å; S399-P401 WeakPolarHBondContact O-CD 3.4Å; P401-S403 PolarHBondContact O-N 3.11Å; P401-S403 PolarHBondContact O-OG 3.44Å
402I28.4Very low28.8Very low128 Ų128122.7 Ų122.766%0.65675%0.75SS**  trans-58.1118.1172.1-63.8177.3000107.5
403S28.1Very low29Very low90 Ų90122.4 Ų122.463%0.62976%0.755SS**  trans-94.4108.6-174.7-62.50000109P401 P405P401-S403 PolarHBondContact O-N 3.11Å; P401-S403 PolarHBondContact O-OG 3.44Å; S403-P405 WeakPolarHBondContact O-CD 3.28Å
404M28.2Very low29.2Very low162 Ų162125.1 Ų125.180%0.79876%0.761SS**  trans-64123.3170.6-70.7-61-17000109.8A406M404-A406 PolarHBondContact O-N 3.43Å
405P33.3Very low29.5Very low124 Ų124120.2 Ų120.281%0.80576%0.757SS**  trans-84.6109.8176.832.1-30.9000110.5S403S403-P405 WeakPolarHBondContact O-CD 3.28Å
406A27.7Very low29.7Very low89 Ų89125.6 Ų125.674%0.73677%0.771SS**  trans-116.4105.9175.100000111.1M404M404-A406 PolarHBondContact O-N 3.43Å
407T31.6Very low30Very low126 Ų126119.1 Ų119.177%0.77377%0.768SS**  trans-151.1112.8165.446.60000111.9
408D31.6Very low30.3Very low157 Ų157121.6 Ų121.684%0.8478%0.779SS**  trans52.6116.9135.2-54.3-21.2000122.4
409L29.6Very low30.9Very low171 Ų171121.1 Ų121.190%0.89579%0.785SS**  trans-72.7121.8150.9-69.5155000110.3
410S34.4Very low31.2Very low126 Ų126119.2 Ų119.288%0.88178%0.784SS**  trans-177.3143.1149-88.40000114.7
411G32.6Very low31.6Very low83 Ų83119.1 Ų119.186%0.85680%0.797SS**  trans65.3109.6146.900000119.9
412G31.3Very low31.8Very low86 Ų86119.7 Ų119.789%0.88781%0.814SS**  trans-82.9169174.400000115.6
413G31.7Very low32Very low79 Ų79119.3 Ų119.381%0.81482%0.822SS**  trans-174.172.2-17700000117.2
414I30.8Very low32.2Very low180 Ų180122.7 Ų122.792%0.92383%0.83SS**  trans1.2126.3158-48.8172.2000119.7
415G32.7Very low32.4Very low69 Ų69121.8 Ų121.871%0.71183%0.828SS**  trans141105.4153.800000114.2
416R31.2Very low32.5Very low260 Ų260123.4 Ų123.498%0.98183%0.828SS**  78.5116.369.3-82.6-163.2170.7-145.9-0.7116.1
417G32.9Very low32.6Very low70 Ų70126.2 Ų126.272%0.72283%0.831SS**  trans121.2101.5175.400000111
418V35Very low32.5Very low145 Ų145129.1 Ų129.188%0.87984%0.836SS**  cis88.8130.143.7-178.30000112.5
419P37.9Very low32.5Very low132 Ų132125.9 Ų125.986%0.85783%0.826SS**  trans-130.2-179-150.543.4-26.4000117.3
420G33.1Very low32.5Very low82 Ų82123.3 Ų123.385%0.84582%0.822SS**  trans150157170.900000109.7
421G32.6Very low32.4Very low85 Ų85121.3 Ų121.388%0.87682%0.821SS**  cis-150.4-174.2-14.900000106.1
422G32.8Very low32.3Very low70 Ų70128.8 Ų128.872%0.72282%0.824SS**  cis159.3178.318.400000107.7
423S34Very low32.3Very low119 Ų119136.1 Ų136.183%0.83283%0.826SS**  trans65159.6-177.6-59.90000117.2
424M32.1Very low32.5Very low162 Ų162136.5 Ų136.580%0.79882%0.822SS**  cis170.3174.1-43.9-102.1171.4172.500107.8
425D32.8Very low32.3Very low142 Ų142133.7 Ų133.776%0.75981%0.813SS**  trans73139.4165.4-52-35.9000116.8
426I35.4Very low32.4Very low158 Ų158138.9 Ų138.981%0.8182%0.824SS**  cis-1441621.2-118.3156.3000110.4
427D28.7Very low32.4Very low148 Ų148133.3 Ų133.379%0.79181%0.813SS**  trans-109.4137.5179.2177.633.3000111.1
428E30.3Very low32.6Very low187 Ų187135.4 Ų135.487%0.87481%0.814SS**  trans-153.8154.2165.3-149.8175.8119.300111.6
429S30.5Very low32.6Very low90 Ų90136.6 Ų136.663%0.62981%0.814SS**  trans-146.6169.9-157.377.40000115.7
430S29.8Very low32.3Very low116 Ų116136.1 Ų136.181%0.81181%0.814SS**  trans69103.2152.6-540000119.2
431G33.3Very low32.3Very low84 Ų84136.2 Ų136.287%0.86681%0.814SS**  trans-126.4117.5159.900000111.9
432R28.8Very low32.2Very low240 Ų240138.2 Ų138.291%0.90682%0.815SS**  trans-121.1130.1174.6-69-179.2179.3175.8-0.4110.7
433Y33Very low32.2Very low240 Ų240138.9 Ų138.994%0.94182%0.822SS**  trans-171.2139.6155.3-104.3-82.8000107.5
434A34.4Very low32Very low87 Ų87138.4 Ų138.472%0.71982%0.818SS**  cis-158.7164.3-26.300000109.3
435T28.3Very low32Very low122 Ų122139 Ų13975%0.74882%0.824SS**  trans-85.6151178.628.80000113.9
436L34.1Very low31.9Very low177 Ų177136.9 Ų136.993%0.92782%0.82SS**  trans-142.5152.2148.7-81.7-177.2000109.6
437D30.8Very low31.7Very low143 Ų143134.9 Ų134.977%0.76582%0.82SS**  trans-115.9169.9-156.6-93.8-59.7000114.4
438P38.2Very low31.9Very low114 Ų114132.9 Ų132.974%0.7482%0.824SS**  trans-94.1167.2-16237.2-38.1000115.8
439I34Very low31.9Very low171 Ų171127.3 Ų127.388%0.87782%0.818SS**  trans-133.2135168.9-67.1174.1000110.6
440S31.1Very low32.5Very low122 Ų122129 Ų12985%0.85383%0.826SS**  trans-86.2153.9-179-50.70000113.4
441G33.1Very low32.7Very low83 Ų83129.8 Ų129.886%0.85683%0.826SS**  trans-153.496173.100000113.1
442S31.5Very low32.8Very low128 Ų128130.8 Ų130.890%0.89583%0.826SS**  trans-93137-179.1550000112.8
443G32.6Very low33.2Very low84 Ų84122.6 Ų122.687%0.86682%0.816SS**  trans-160.8106172.400000112.7
444S29.3Very low33.4Very low108 Ų108121.5 Ų121.576%0.75581%0.811SS**  trans-106.6144.8173.2174.70000109.9
445L32Very low33.6Very low174 Ų174124.9 Ų124.991%0.91181%0.811SS**  trans-167.4150146.1-107.6151.8000112.7
446S30.1Very low33.9Very low98 Ų98122.6 Ų122.669%0.68581%0.812SS**  trans-99.4162-169.8-390000112.8
447S31.2Very low34.2Very low116 Ų116123.1 Ų123.181%0.81181%0.812SS**  161.7142104.554.40000116.7
448A33.3Very low34.7Very low106 Ų106121.1 Ų121.188%0.87681%0.807SS**  trans37.4128.6141.100000123.3
449G31.7Very low34.7Very low71 Ų71120.5 Ų120.573%0.73281%0.811SS**  149.6148.1122.200000118
450P42.1Very low34.8Very low125 Ų125119.9 Ų119.981%0.81280%0.804SS**  trans-137.3-159.7-139.435.4-12.2000116.2
451V33.8Very low34.9Very low133 Ų133123.5 Ų123.581%0.80680%0.799SS**  trans106.377.8158.2-165.20000119.1
452A36.1Very low35Very low104 Ų104124.6 Ų124.686%0.8679%0.791SS**  25.1144.7118.400000124.9
453G35.7Very low35.1Very low69 Ų69123.1 Ų123.171%0.71178%0.781SS**  trans141154.6151.600000114.5
454R38.7Very low35.2Very low217 Ų217124.6 Ų124.682%0.81978%0.778SS**  cis-164.4160.9-13-61-167.596.6165.32.8106.7
455H37.2Very low35.5Very low158 Ų158127.5 Ų127.573%0.73178%0.784SS**  cis-171147.3-23.8-86.2-29.2000108.3
456G36.3Very low35.6Very low74 Ų74127.8 Ų127.876%0.76378%0.781SS**  trans128.5152.2152.900000117.7
457M39.5Very low35.6Very low187 Ų187130.8 Ų130.892%0.92179%0.789SS**  cis-166.6159.6-23.9-108.1-88.2117.900108
458P40.5Very low35.9Very low102 Ų102130.8 Ų130.866%0.66279%0.786SS**  trans-125.6-175.7-151.244.5-33.7000117.4
459A39.4Very low36Very low100 Ų100131.6 Ų131.683%0.82678%0.783SS**  trans-132.8167.7165.800000111.9
460Q35.7Very low35.9Very low158 Ų158135.4 Ų135.474%0.73879%0.787SS**  trans-148.5175.9-166.7-51.8-173.951.800110.3
461R32.7Very low35.6Very low199 Ų199134.1 Ų134.175%0.75179%0.786SS**  cis-168.2-168.82.4-131.2176.4-179.8-148.3-4.2106.3
462P36Very low35.5Very low105 Ų105137 Ų13768%0.68279%0.791SS**  cis-136.3158.8-17.236.7-17.4000118
463S33.8Very low35.1Very low98 Ų98135 Ų13569%0.68578%0.78SS**  trans1.1142.7145.3-46.30000122.6
464S34.5Very low34.6Very low115 Ų115138.4 Ų138.480%0.80479%0.791SS**  175.4116.799.542.60000116.1
465L35.9Very low34.1Very low169 Ų169133.7 Ų133.789%0.88579%0.787SS**  trans-171.2174.1133.6-102.9163.6000108.3
466Q33.1Very low33.7Very low179 Ų179132.2 Ų132.284%0.83679%0.789SS**  trans-124134.9-152.5-62.1165.9-5700114.5
467D29.7Very low33.4Very low161 Ų161133.3 Ų133.386%0.86179%0.791SS**  trans-113.8147.4163.1-70.8-59000110.8
468P38.5Very low33.8Very low116 Ų116129.2 Ų129.275%0.75378%0.781SS**PPolyproline II helixtrans-80.4161.7175.133.5-34.5000112.9
469P34.6Very low35.2Very low123 Ų123132.8 Ų132.880%0.79979%0.789SS**PPolyproline II helixtrans-87.6165-161.635-38.1000116
470D31.3Very low37.2Very low152 Ų152131 Ų13181%0.81377%0.765SS**PPolyproline II helixtrans-54.7140.4-179-57-90.2000115.5
471A34.1Very low39.7Very low97 Ų97123.7 Ų123.780%0.80273%0.73SS**  trans-129.5104.7163.200000109.8G473A471-G473 PolarHBondContact O-N 3.22Å; A471-G473 VanDerWaalsContact O-N 3.15Å
472H31.9Very low42.5Very low195 Ų195116.9 Ų116.990%0.90371%0.713SS**  trans-69.2109177.7-68.4-54.3000111.6
473G27.8Very low45.1Very low62 Ų62113.7 Ų113.764%0.63969%0.69SS**  trans-134.3107.3171.400000111A471 T475A471-G473 PolarHBondContact O-N 3.22Å; A471-G473 VanDerWaalsContact O-N 3.15Å; G473-T475 PolarHBondContact O-N 3.01Å
474C26.5Very low47.9Very low140 Ų140115.5 Ų115.595%0.94669%0.689SS**  trans-78.4113.4-178.8-173.80000111
475T27.2Very low50.7Low117 Ų117113 Ų11372%0.71867%0.667SS**  trans-142.9107.8174.7-11.30000109.3G473 A477G473-T475 PolarHBondContact O-N 3.01Å; T475-A477 PolarHBondContact O-N 3.46Å
476T28.2Very low53.5Low127 Ų127105.2 Ų105.278%0.77963%0.626SS**  trans13.498.6167.653.50000117.3S478T476-S478 PolarHBondContact O-N 3.08Å
477A29.9Very low56.5Low97 Ų9799.4 Ų99.480%0.80260%0.603SS**  trans-67.5112.9164.700000109.9T475 Q479T475-A477 PolarHBondContact O-N 3.46Å; A477-Q479 PolarHBondContact O-N 3.33Å; A477-Q479 VanDerWaalsContact O-N 3.15Å
478S48.7Very low59.7Low102 Ų10293.6 Ų93.671%0.71357%0.57SS**  trans-62.6113.2169.2-69.80000109.4T476T476-S478 PolarHBondContact O-N 3.08Å
479Q69.3Low62.3Low177 Ų17790.6 Ų90.683%0.82755%0.547SS*.PPolyproline II helixtrans-67.7140.6170.8-67.2178.7-17.500109.2A477A477-Q479 PolarHBondContact O-N 3.33Å; A477-Q479 VanDerWaalsContact O-N 3.15Å
480I82.8Confident65.2Low63 Ų6388.3 Ų88.332%0.32353%0.525SS..PPolyproline II helixtrans-65129.5175-57.6177.3000107.6C482 C552 F554 D808 F810I480-C482 PolarHBondContact O-N 2.56Å; I480-C552 HydrophobicContact CG2-CB 4.43Å; I480-F554 HydrophobicContact CG2-CB 4.18Å; I480-D808 HydrophobicContact CD1-CB 4.12Å; I480-F810 HydrophobicContact CG1-CB 4.4Å
481P87.6Confident68.1Low3 Ų381.1 Ų81.12%0.01949%0.486CS..PPolyproline II helixtrans-54.1136.1177.8-28.836.2000112.3F486 Y505 Y551 F554P481-F486 HydrophobicContact CB-CE2 3.67Å; P481-F486 HydrophobicContact CB-CZ 3.81Å; P481-Y505 HydrophobicContact CB-CE2 3.84Å; P481-Y505 HydrophobicContact CG-CE2 4.02Å; P481-Y551 HydrophobicContact CG-CE1 4.27Å; P481-F554 WeakPolarHBondContact O-CD1 3.25Å; P481-F554 VanDerWaalsContact O-CG 3.29Å; P481-F554 WeakPolarHBondContact O-CG 3.43Å
482C90.5Very high70.8Confident57 Ų5777 Ų7739%0.38545%0.451SS..  trans-107.6174.218080.90000111.9I480 M484 D485 F486I480-C482 PolarHBondContact O-N 2.56Å; C482-M484 PolarHBondContact O-N 3.3Å; C482-M484 PolarHBondContact SG-N 2.88Å; C482-D485 PolarHBondContact N-OD2 3.23Å; C482-D485 PolarHBondContact O-N 2.99Å; C482-D485 PolarHBondContact SG-OD2 2.66Å; C482-F486 VanDerWaalsContact O-CD2 3.31Å; C482-F486 WeakPolarHBondContact O-CD2 3.35Å
483L91.2Very high73.3Confident37 Ų3768.5 Ų68.519%0.19442%0.415CS..G310 helixtrans-53.6-31.4-179.8-175.757.1000113.8D485 F488 F554 T556 F561 L787L483-D485 VanDerWaalsContact C-N 3.31Å; L483-D485 PolarHBondContact O-N 2.91Å; L483-F488 HydrophobicContact CD1-CE2 3.67Å; L483-F488 HydrophobicContact CD1-CZ 3.77Å; L483-F554 HydrophobicContact CB-CE2 3.96Å; L483-F554 HydrophobicContact CB-CZ 4.46Å; L483-T556 HydrophobicContact CD2-CG2 4.18Å; L483-F561 HydrophobicContact CD1-CD1 4.32Å; L483-F561 HydrophobicContact CD1-CE1 3.55Å; L483-F561 HydrophobicContact CD1-CZ 3.71Å; L483-F561 HydrophobicContact CD2-CZ 4.11Å; L483-F561 HydrophobicContact CG-CZ 4.44Å; L483-L787 HydrophobicContact CD1-CD1 4.12Å; L483-L787 HydrophobicContact CD2-CD1 4.12Å
484M92.2Very high75.7Confident136 Ų13670.2 Ų70.267%0.6741%0.405SS*.G310 helixtrans-78.1-14-177.9-61.7-60.1141.300113.5C482 F486 K506C482-M484 PolarHBondContact O-N 3.3Å; C482-M484 PolarHBondContact SG-N 2.88Å; M484-F486 VanDerWaalsContact C-N 3.33Å; M484-K506 PolarHBondContact O-NZ 2.79Å
485D93.9Very high77.6Confident62 Ų6265.7 Ų65.733%0.33238%0.383SS..G310 helixtrans-86.5-6.8-179.2-53.9-53.5000113.1C482 L483 Y505 K506C482-D485 PolarHBondContact N-OD2 3.23Å; C482-D485 PolarHBondContact O-N 2.99Å; C482-D485 PolarHBondContact SG-OD2 2.66Å; L483-D485 VanDerWaalsContact C-N 3.31Å; L483-D485 PolarHBondContact O-N 2.91Å; D485-Y505 HydrophobicContact CB-CD2 4.04Å; D485-Y505 HydrophobicContact CB-CE2 3.68Å; D485-K506 WeakPolarHBondContact O-CB 3.2Å; D485-K506 VanDerWaalsContact O-CG 3.28Å; D485-K506 WeakPolarHBondContact O-CG 3.31Å; D485-K506 PolarHBondContact O-N 3Å
486F95Very high79Confident6 Ų663.4 Ų63.43%0.02637%0.371CS..EExtended strand (participates in β ladder)trans-108150.4180-63.9-82.9000112.9P481 C482 M484 A503 E504 Y505 K506 F512 F554 V563P481-F486 HydrophobicContact CB-CE2 3.67Å; P481-F486 HydrophobicContact CB-CZ 3.81Å; C482-F486 VanDerWaalsContact O-CD2 3.31Å; C482-F486 WeakPolarHBondContact O-CD2 3.35Å; M484-F486 VanDerWaalsContact C-N 3.33Å; F486-A503 HydrophobicContact CB-CB 4.34Å; F486-A503 HydrophobicContact CD1-CB 4.18Å; F486-E504 CarbonylContact C-O 3.56Å; F486-E504 WeakPolarHBondContact CA-O 3.33Å; F486-Y505 HydrophobicContact CD1-CD2 4.2Å; F486-Y505 AromaticContact CE1-CD2 3.79Å; F486-Y505 HydrophobicContact CE1-CD2 3.79Å; F486-Y505 HydrophobicContact CE1-CG 4.09Å; F486-Y505 HydrophobicContact CE2-CD2 4.44Å; F486-Y505 AromaticContact CZ-CD2 3.92Å; F486-Y505 HydrophobicContact CZ-CD2 3.92Å; F486-Y505 HydrophobicContact CZ-CE2 4.45Å; F486-K506 VanDerWaalsContact C-CE 3.46Å; F486-K506 WeakPolarHBondContact O-CE 3.45Å; F486-K506 PolarHBondContact O-NZ 3.14Å; F486-F512 HydrophobicContact CE1-CD2 4.3Å; F486-F554 HydrophobicContact CD2-CE1 4.07Å; F486-F554 HydrophobicContact CD2-CZ 4.19Å; F486-F554 HydrophobicContact CE2-CD1 4.47Å; F486-F554 AromaticContact CE2-CE1 3.6Å; F486-F554 HydrophobicContact CE2-CE1 3.6Å; F486-F554 HydrophobicContact CE2-CZ 4.17Å; F486-F554 HydrophobicContact CZ-CE1 4.46Å; F486-V563 HydrophobicContact CE1-CG1 3.89Å; F486-V563 HydrophobicContact CE1-CG2 4.38Å; F486-V563 HydrophobicContact CE2-CG2 4.19Å; F486-V563 HydrophobicContact CZ-CG1 3.97Å; F486-V563 HydrophobicContact CZ-CG2 3.82Å
487T96.1Very high80.7Confident57 Ų5760.5 Ų60.535%0.3535%0.348SS..EExtended strand (participates in β ladder)trans-116.6110.7168.7-550000108.3L489 A503 E504 K506T487-L489 HydrophobicContact CG2-CD2 4.03Å; T487-A503 CarbonylContact O-C 3.51Å; T487-A503 VanDerWaalsContact O-CA 3.3Å; T487-A503 WeakPolarHBondContact O-CA 3.39Å; T487-E504 PolarHBondContact N-O 2.75Å; T487-E504 PolarHBondContact O-N 2.79Å; T487-K506 WeakPolarHBondContact OG1-CE 3.06Å; T487-K506 WeakPolarHBondContact OG1-CG 3.36Å
488F95.7Very high83Confident39 Ų3957 Ų5717%0.17132%0.321CS..EExtended strand (participates in β ladder)trans-76128.3176.2-58.1-69.9000110.8L483 M501 L502 A503 V514 F561 P785L483-F488 HydrophobicContact CD1-CE2 3.67Å; L483-F488 HydrophobicContact CD1-CZ 3.77Å; F488-M501 HydrophobicContact CD1-CB 3.94Å; F488-M501 HydrophobicContact CD1-CE 3.63Å; F488-M501 HydrophobicContact CD1-SD 4.45Å; F488-M501 HydrophobicContact CD2-CE 4.15Å; F488-M501 HydrophobicContact CE1-CE 3.7Å; F488-M501 HydrophobicContact CE2-CE 4.21Å; F488-M501 HydrophobicContact CG-CE 3.88Å; F488-M501 HydrophobicContact CG-SD 4.48Å; F488-M501 HydrophobicContact CZ-CE 3.99Å; F488-L502 WeakPolarHBondContact CA-O 3.19Å; F488-A503 HydrophobicContact CD1-CB 3.8Å; F488-A503 HydrophobicContact CE1-CB 4.08Å; F488-V514 HydrophobicContact CE1-CB 4.07Å; F488-V514 HydrophobicContact CE1-CG1 4.16Å; F488-V514 HydrophobicContact CE1-CG2 4.25Å; F488-F561 HydrophobicContact CZ-CE1 4.29Å; F488-P785 HydrophobicContact CB-CB 3.92Å
489L94.4Very high84.9Confident53 Ų5353.4 Ų53.428%0.27729%0.292SS..EExtended strand (participates in β ladder)trans-104.4-42.4-171.9-57.6-177.5000112.9T487 L502 E504 I771T487-L489 HydrophobicContact CG2-CD2 4.03Å; L489-L502 HydrophobicContact CB-CB 4.42Å; L489-L502 HydrophobicContact CB-CD2 4.13Å; L489-L502 HydrophobicContact CB-CG 4.25Å; L489-L502 HydrophobicContact CD1-CD2 4.19Å; L489-L502 HydrophobicContact CD1-CG 4.3Å; L489-L502 PolarHBondContact N-O 3.49Å; L489-E504 HydrophobicContact CD1-CB 4.25Å; L489-I771 HydrophobicContact CD1-CB 4.41Å; L489-I771 HydrophobicContact CD1-CG2 3.74Å
490K94.7Very high86Confident76 Ų7646.9 Ų46.933%0.3327%0.265SS..EExtended strand (participates in β ladder)trans-153.9152.8-177.6-75.2-170.2163.6-61.80111.3M501 L502 T773 T781K490-M501 CarbonylContact O-C 3.52Å; K490-M501 VanDerWaalsContact O-CA 3.3Å; K490-M501 WeakPolarHBondContact O-CA 3.25Å; K490-L502 HydrophobicContact CB-CB 4.27Å; K490-L502 PolarHBondContact O-N 2.98Å; K490-T773 HydrophobicContact CB-CG2 4.36Å; K490-T773 HydrophobicContact CD-CG2 3.55Å; K490-T773 VanDerWaalsContact CD-OG1 3.25Å; K490-T773 WeakPolarHBondContact CD-OG1 3.14Å; K490-T773 HydrophobicContact CG-CG2 4.49Å; K490-T781 PolarHBondContact NZ-O 3.47Å
491V92.3Very high86.7Confident0 Ų043.9 Ų43.90%025%0.25CC..EExtended strand (participates in β ladder)trans-77.1134.7160.1-174.90000108.5K499 M501 F780 T781 E783V491-K499 HydrophobicContact CG2-CD 4.32Å; V491-M501 HydrophobicContact CG2-CG 4.28Å; V491-M501 HydrophobicContact CG2-SD 4.45Å; V491-F780 HydrophobicContact CG1-CB 4.41Å; V491-F780 CarbonylContact O-C 3.59Å; V491-T781 WeakPolarHBondContact O-CA 3.48Å; V491-T781 WeakPolarHBondContact O-CG2 3.37Å; V491-E783 HydrophobicContact CB-CB 4.29Å; V491-E783 HydrophobicContact CG2-CB 4.06Å; V491-E783 HydrophobicContact CG2-CG 4.15Å
492L91.1Very high87.1Confident12 Ų1243.9 Ų43.96%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-101.8-34.4177.7-65.9173.8000111.9V500 L502 A513 Y566 T773 F776L492-V500 HydrophobicContact CB-CG1 4.32Å; L492-V500 HydrophobicContact CD1-CG1 4.37Å; L492-V500 PolarHBondContact N-O 2.93Å; L492-L502 HydrophobicContact CD1-CB 4.03Å; L492-L502 HydrophobicContact CD1-CD1 4.38Å; L492-L502 HydrophobicContact CD2-CB 4.11Å; L492-L502 HydrophobicContact CG-CB 3.99Å; L492-A513 HydrophobicContact CD1-CB 4.19Å; L492-Y566 HydrophobicContact CD1-CD2 3.91Å; L492-Y566 HydrophobicContact CD1-CE2 3.65Å; L492-Y566 HydrophobicContact CD2-CE2 3.92Å; L492-Y566 HydrophobicContact CG-CE2 4.46Å; L492-T773 HydrophobicContact CD2-CG2 3.69Å; L492-F776 HydrophobicContact CB-CD1 4.23Å; L492-F776 HydrophobicContact CB-CE1 4.23Å; L492-F776 HydrophobicContact CD2-CD1 3.98Å; L492-F776 HydrophobicContact CD2-CD2 4.37Å; L492-F776 HydrophobicContact CD2-CE1 3.94Å; L492-F776 HydrophobicContact CD2-CE2 4.34Å; L492-F776 HydrophobicContact CD2-CG 4.2Å; L492-F776 HydrophobicContact CD2-CZ 4.12Å; L492-F776 HydrophobicContact CG-CE1 4.46Å
493G84.9Confident87.4Confident15 Ų1541.1 Ų41.116%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-166.9167.1-17800000112.5V500G493-V500 PolarHBondContact N-O 2.6Å; G493-V500 PolarHBondContact O-N 2.69Å
494K78.7Confident87.6Confident98 Ų9842.8 Ų42.843%0.42624%0.238SC..EExtended strand (participates in β ladder)trans-150.4113.2-171.4-166167.3-177.7166.40111.1F780 E783K494-F780 HydrophobicContact CB-CD1 4.04Å; K494-F780 HydrophobicContact CB-CE1 3.85Å; K494-E783 IonicContact NZ-OE1 2.74Å; K494-E783 PolarHBondContact NZ-OE1 3.23Å; K494-E783 IonicContact NZ-OE2 3.18Å; K494-E783 PolarHBondContact NZ-OE2 3.45Å
495G65.3Low87.7Confident46 Ų4637.9 Ų37.947%0.47421%0.212SC..  trans-106.3-173.4-178.400000113.1F497 G498G495-F497 VanDerWaalsContact C-N 3.33Å; G495-G498 PolarHBondContact N-O 3.42Å
496S56.7Low87.7Confident68 Ų6840.6 Ų40.648%0.47622%0.22SC..SBendtrans-61.3-41.2169.539.50000112.3
497F63.6Low87.5Confident67 Ų6744.5 Ų44.529%0.29425%0.249SC..SBendtrans-87.7-18.7-170.7-49.7-71.8000114.3G495 L517 D527G495-F497 VanDerWaalsContact C-N 3.33Å; F497-L517 HydrophobicContact CB-CD2 3.89Å; F497-D527 VanDerWaalsContact CE1-OD2 3.32Å; F497-D527 WeakPolarHBondContact CE1-OD2 3.34Å
498G77.9Confident87.2Confident23 Ų2345.3 Ų45.324%0.23725%0.254CS..EExtended strand (participates in β ladder)trans175.5-171.9-171.100000116.8G495 V516G495-G498 PolarHBondContact N-O 3.42Å; G498-V516 WeakPolarHBondContact CA-O 3.06Å
499K89.1Confident86.9Confident26 Ų2645 Ų4511%0.11326%0.262CS..EExtended strand (participates in β ladder)trans-106148.8170.4-65.5-169.7-177.5-170.10110V491 M501 V516 E783 V786V491-K499 HydrophobicContact CG2-CD 4.32Å; K499-M501 HydrophobicContact CB-CG 4.21Å; K499-M501 HydrophobicContact CD-SD 4.2Å; K499-V516 PolarHBondContact N-O 3.09Å; K499-V516 PolarHBondContact O-N 3.31Å; K499-E783 WeakPolarHBondContact CE-OE1 3.28Å; K499-E783 IonicContact NZ-OE1 2.89Å; K499-E783 PolarHBondContact NZ-OE1 2.98Å; K499-V786 PolarHBondContact NZ-O 2.83Å
500V93.5Very high86.8Confident41 Ų4146.6 Ų46.625%0.24827%0.268CS..EExtended strand (participates in β ladder)trans-106.7128.3160.9-173.40000108L492 G493 A513 V514 K515L492-V500 HydrophobicContact CB-CG1 4.32Å; L492-V500 HydrophobicContact CD1-CG1 4.37Å; L492-V500 PolarHBondContact N-O 2.93Å; G493-V500 PolarHBondContact N-O 2.6Å; G493-V500 PolarHBondContact O-N 2.69Å; V500-A513 HydrophobicContact CG1-CB 4.31Å; V500-V514 CarbonylContact C-O 3.51Å; V500-V514 WeakPolarHBondContact CA-O 3.42Å; V500-K515 HydrophobicContact CG2-CB 4.18Å; V500-K515 HydrophobicContact CG2-CG 4.33Å
501M95.7Very high86.8Confident0 Ų044.2 Ų44.20%026%0.26CS..EExtended strand (participates in β ladder)trans-128.1140.8-176.7-60.1-170.5-65.800111.5F488 K490 V491 K499 V514 V516 L787F488-M501 HydrophobicContact CD1-CB 3.94Å; F488-M501 HydrophobicContact CD1-CE 3.63Å; F488-M501 HydrophobicContact CD1-SD 4.45Å; F488-M501 HydrophobicContact CD2-CE 4.15Å; F488-M501 HydrophobicContact CE1-CE 3.7Å; F488-M501 HydrophobicContact CE2-CE 4.21Å; F488-M501 HydrophobicContact CG-CE 3.88Å; F488-M501 HydrophobicContact CG-SD 4.48Å; F488-M501 HydrophobicContact CZ-CE 3.99Å; K490-M501 CarbonylContact O-C 3.52Å; K490-M501 VanDerWaalsContact O-CA 3.3Å; K490-M501 WeakPolarHBondContact O-CA 3.25Å; V491-M501 HydrophobicContact CG2-CG 4.28Å; V491-M501 HydrophobicContact CG2-SD 4.45Å; K499-M501 HydrophobicContact CB-CG 4.21Å; K499-M501 HydrophobicContact CD-SD 4.2Å; M501-V514 PolarHBondContact N-O 2.89Å; M501-V514 PolarHBondContact O-N 3.02Å; M501-V516 HydrophobicContact CE-CG2 3.91Å; M501-L787 HydrophobicContact CE-CD2 3.54Å; M501-L787 HydrophobicContact CE-CG 4.29Å
502L96.7Very high87Confident2 Ų244.4 Ų44.41%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-70.2127.4168.2-17465.4000108.6F488 L489 K490 L492 V511 Y566 I771 T773F488-L502 WeakPolarHBondContact CA-O 3.19Å; L489-L502 HydrophobicContact CB-CB 4.42Å; L489-L502 HydrophobicContact CB-CD2 4.13Å; L489-L502 HydrophobicContact CB-CG 4.25Å; L489-L502 HydrophobicContact CD1-CD2 4.19Å; L489-L502 HydrophobicContact CD1-CG 4.3Å; L489-L502 PolarHBondContact N-O 3.49Å; K490-L502 HydrophobicContact CB-CB 4.27Å; K490-L502 PolarHBondContact O-N 2.98Å; L492-L502 HydrophobicContact CD1-CB 4.03Å; L492-L502 HydrophobicContact CD1-CD1 4.38Å; L492-L502 HydrophobicContact CD2-CB 4.11Å; L492-L502 HydrophobicContact CG-CB 3.99Å; L502-V511 HydrophobicContact CD1-CG1 3.39Å; L502-V511 HydrophobicContact CG-CG1 4.19Å; L502-Y566 HydrophobicContact CD1-CD1 3.52Å; L502-Y566 HydrophobicContact CD1-CD2 3.63Å; L502-Y566 HydrophobicContact CD1-CE1 3.52Å; L502-Y566 HydrophobicContact CD1-CE2 3.67Å; L502-Y566 HydrophobicContact CD1-CG 3.58Å; L502-I771 HydrophobicContact CD2-CB 4.08Å; L502-I771 HydrophobicContact CD2-CG2 4.42Å; L502-T773 HydrophobicContact CD2-CG2 3.8Å
503A97Very high87.2Confident0 Ų044.4 Ų44.40%026%0.262CS..EExtended strand (participates in β ladder)trans-131.9147177.900000112F486 T487 F488 V511 F512 V514F486-A503 HydrophobicContact CB-CB 4.34Å; F486-A503 HydrophobicContact CD1-CB 4.18Å; T487-A503 CarbonylContact O-C 3.51Å; T487-A503 VanDerWaalsContact O-CA 3.3Å; T487-A503 WeakPolarHBondContact O-CA 3.39Å; F488-A503 HydrophobicContact CD1-CB 3.8Å; F488-A503 HydrophobicContact CE1-CB 4.08Å; A503-V511 CarbonylContact O-C 3.08Å; A503-V511 WeakPolarHBondContact O-CA 3.49Å; A503-F512 PolarHBondContact N-O 2.86Å; A503-F512 PolarHBondContact O-N 3.14Å; A503-V514 HydrophobicContact CB-CG2 3.56Å
504E96Very high87.8Confident72 Ų7243.7 Ų43.734%0.33626%0.255SS..EExtended strand (participates in β ladder)trans-106131.6169-170179.7128.500109.6F486 T487 L489 E510F486-E504 CarbonylContact C-O 3.56Å; F486-E504 WeakPolarHBondContact CA-O 3.33Å; T487-E504 PolarHBondContact N-O 2.75Å; T487-E504 PolarHBondContact O-N 2.79Å; L489-E504 HydrophobicContact CD1-CB 4.25Å; E504-E510 CarbonylContact C-O 3.36Å; E504-E510 WeakPolarHBondContact CA-O 3.41Å
505Y94.5Very high88.6Confident33 Ų3340 Ų4013%0.12924%0.239CC..EExtended strand (participates in β ladder)trans-85.9113.5176.9-178.3-134.8000109.8P481 D485 F486 S507 T508 G509 E510 F512 Y551P481-Y505 HydrophobicContact CB-CE2 3.84Å; P481-Y505 HydrophobicContact CG-CE2 4.02Å; D485-Y505 HydrophobicContact CB-CD2 4.04Å; D485-Y505 HydrophobicContact CB-CE2 3.68Å; F486-Y505 HydrophobicContact CD1-CD2 4.2Å; F486-Y505 AromaticContact CE1-CD2 3.79Å; F486-Y505 HydrophobicContact CE1-CD2 3.79Å; F486-Y505 HydrophobicContact CE1-CG 4.09Å; F486-Y505 HydrophobicContact CE2-CD2 4.44Å; F486-Y505 AromaticContact CZ-CD2 3.92Å; F486-Y505 HydrophobicContact CZ-CD2 3.92Å; F486-Y505 HydrophobicContact CZ-CE2 4.45Å; Y505-S507 WeakPolarHBondContact CE1-OG 3.05Å; Y505-S507 PolarHBondContact O-N 2.62Å; Y505-S507 PolarHBondContact OH-OG 2.99Å; Y505-T508 HydrophobicContact CD1-CG2 4.03Å; Y505-T508 HydrophobicContact CE1-CG2 4.09Å; Y505-T508 PolarHBondContact O-N 3.41Å; Y505-T508 VanDerWaalsContact O-N 3.16Å; Y505-G509 PolarHBondContact O-N 2.85Å; Y505-E510 PolarHBondContact N-O 2.97Å; Y505-F512 HydrophobicContact CG-CE2 4.43Å; Y505-Y551 HydrophobicContact CE1-CE1 4.49Å
506K93.4Very high90Very high118 Ų11838.1 Ų38.151%0.51322%0.218SC..THydrogen-bonded Turntrans-61.4-23.6-162.2-71168.8-175.5157.90115.1M484 D485 F486 T487M484-K506 PolarHBondContact O-NZ 2.79Å; D485-K506 WeakPolarHBondContact O-CB 3.2Å; D485-K506 VanDerWaalsContact O-CG 3.28Å; D485-K506 WeakPolarHBondContact O-CG 3.31Å; D485-K506 PolarHBondContact O-N 3Å; F486-K506 VanDerWaalsContact C-CE 3.46Å; F486-K506 WeakPolarHBondContact O-CE 3.45Å; F486-K506 PolarHBondContact O-NZ 3.14Å; T487-K506 WeakPolarHBondContact OG1-CE 3.06Å; T487-K506 WeakPolarHBondContact OG1-CG 3.36Å
507S89.4Confident91.7Very high88 Ų8835.2 Ų35.262%0.61520%0.197SC*.THydrogen-bonded Turntrans-87.7-20.8-177.657.60000113.9Y505Y505-S507 WeakPolarHBondContact CE1-OG 3.05Å; Y505-S507 PolarHBondContact O-N 2.62Å; Y505-S507 PolarHBondContact OH-OG 2.99Å
508T90.3Very high93Very high74 Ų7434.4 Ų34.445%0.45419%0.194SC..THydrogen-bonded Turntrans-121.2-18.6-179.769.30000114.5Y505 E510Y505-T508 HydrophobicContact CD1-CG2 4.03Å; Y505-T508 HydrophobicContact CE1-CG2 4.09Å; Y505-T508 PolarHBondContact O-N 3.41Å; Y505-T508 VanDerWaalsContact O-N 3.16Å; T508-E510 PolarHBondContact O-N 3.21Å; T508-E510 WeakPolarHBondContact OG1-CB 3.39Å; T508-E510 WeakPolarHBondContact OG1-CG 3.39Å; T508-E510 PolarHBondContact OG1-N 3.46Å; T508-E510 PolarHBondContact OG1-OE2 3.28Å
509G90.2Very high93.6Very high34 Ų3433.4 Ų33.435%0.35118%0.182SC..THydrogen-bonded Turntrans70.115.4-170.300000113.3Y505Y505-G509 PolarHBondContact O-N 2.85Å
510E91.9Very high93.5Very high86 Ų8636.2 Ų36.240%0.40220%0.196SC..EExtended strand (participates in β ladder)trans-82.2150.8175.9-68.3179.5125.800111.7E504 Y505 T508 F512E504-E510 CarbonylContact C-O 3.36Å; E504-E510 WeakPolarHBondContact CA-O 3.41Å; Y505-E510 PolarHBondContact N-O 2.97Å; T508-E510 PolarHBondContact O-N 3.21Å; T508-E510 WeakPolarHBondContact OG1-CB 3.39Å; T508-E510 WeakPolarHBondContact OG1-CG 3.39Å; T508-E510 PolarHBondContact OG1-N 3.46Å; T508-E510 PolarHBondContact OG1-OE2 3.28Å; E510-F512 HydrophobicContact CB-CE2 3.75Å; E510-F512 HydrophobicContact CB-CZ 4.09Å
511V94.5Very high93Very high26 Ų2635.8 Ų35.816%0.15819%0.194CC..EExtended strand (participates in β ladder)trans-117.5127.4-163178.20000109.2L502 A503 Y566 R770 I771L502-V511 HydrophobicContact CD1-CG1 3.39Å; L502-V511 HydrophobicContact CG-CG1 4.19Å; A503-V511 CarbonylContact O-C 3.08Å; A503-V511 WeakPolarHBondContact O-CA 3.49Å; V511-Y566 HydrophobicContact CG1-CD1 3.6Å; V511-Y566 HydrophobicContact CG1-CE1 4.36Å; V511-Y566 HydrophobicContact CG1-CG 4.09Å; V511-Y566 WeakPolarHBondContact O-CB 3.5Å; V511-R770 HydrophobicContact CG2-CB 4.3Å; V511-I771 HydrophobicContact CG1-CG2 4.08Å; V511-I771 HydrophobicContact CG2-CG2 3.72Å
512F96Very high92.6Very high4 Ų435.9 Ų35.92%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-130.5155.4-170.8-62.1-88000111.5F486 A503 Y505 E510 Y551 V563 M564 Y814F486-F512 HydrophobicContact CE1-CD2 4.3Å; A503-F512 PolarHBondContact N-O 2.86Å; A503-F512 PolarHBondContact O-N 3.14Å; Y505-F512 HydrophobicContact CG-CE2 4.43Å; E510-F512 HydrophobicContact CB-CE2 3.75Å; E510-F512 HydrophobicContact CB-CZ 4.09Å; F512-Y551 HydrophobicContact CD1-CD1 4.15Å; F512-Y551 HydrophobicContact CD1-CG 4.32Å; F512-Y551 AromaticContact CE1-CD1 3.49Å; F512-Y551 HydrophobicContact CE1-CD1 3.49Å; F512-Y551 VanDerWaalsContact CE1-CD1 3.49Å; F512-Y551 HydrophobicContact CE1-CD2 4.28Å; F512-Y551 HydrophobicContact CE1-CE1 4.16Å; F512-Y551 AromaticContact CE1-CG 3.54Å; F512-Y551 HydrophobicContact CE1-CG 3.54Å; F512-Y551 HydrophobicContact CE2-CD1 4.36Å; F512-Y551 HydrophobicContact CE2-CE1 4.39Å; F512-Y551 AromaticContact CZ-CD1 3.61Å; F512-Y551 HydrophobicContact CZ-CD1 3.61Å; F512-Y551 AromaticContact CZ-CE1 3.79Å; F512-Y551 HydrophobicContact CZ-CE1 3.79Å; F512-Y551 HydrophobicContact CZ-CG 4Å; F512-V563 HydrophobicContact CB-CG1 3.61Å; F512-V563 HydrophobicContact CD1-CG1 3.71Å; F512-V563 HydrophobicContact CD2-CG1 4.31Å; F512-V563 HydrophobicContact CE1-CG1 4.45Å; F512-V563 HydrophobicContact CG-CG1 3.62Å; F512-M564 CarbonylContact C-O 3.3Å; F512-M564 WeakPolarHBondContact CA-O 3.48Å; F512-M564 WeakPolarHBondContact CB-O 3.27Å; F512-Y814 HydrophobicContact CE1-CE1 4.15Å
513A96.2Very high92.1Very high11 Ų1138.7 Ų38.79%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-96.7116.4166.500000109L492 V500 M564 Y566L492-A513 HydrophobicContact CD1-CB 4.19Å; V500-A513 HydrophobicContact CG1-CB 4.31Å; A513-M564 HydrophobicContact CB-CE 4.5Å; A513-M564 PolarHBondContact N-O 3.19Å; A513-M564 WeakPolarHBondContact O-CB 3.48Å; A513-M564 PolarHBondContact O-N 3.29Å; A513-Y566 HydrophobicContact CB-CD2 4.39Å
514V96.7Very high91.3Very high1 Ų144 Ų441%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-106.1110.3-177-171.30000110.1F488 V500 M501 A503 V516 F561 F562 V563F488-V514 HydrophobicContact CE1-CB 4.07Å; F488-V514 HydrophobicContact CE1-CG1 4.16Å; F488-V514 HydrophobicContact CE1-CG2 4.25Å; V500-V514 CarbonylContact C-O 3.51Å; V500-V514 WeakPolarHBondContact CA-O 3.42Å; M501-V514 PolarHBondContact N-O 2.89Å; M501-V514 PolarHBondContact O-N 3.02Å; A503-V514 HydrophobicContact CB-CG2 3.56Å; V514-V516 HydrophobicContact CG1-CG2 3.88Å; V514-F561 HydrophobicContact CG1-CB 4.29Å; V514-F561 HydrophobicContact CG1-CD1 4.04Å; V514-F562 CarbonylContact C-O 3.6Å; V514-F562 VanDerWaalsContact CA-O 3.27Å; V514-F562 WeakPolarHBondContact CA-O 3.49Å; V514-V563 HydrophobicContact CG1-CG2 4.36Å; V514-V563 HydrophobicContact CG2-CG1 4.31Å; V514-V563 HydrophobicContact CG2-CG2 4.28Å
515K95.7Very high90.5Very high20 Ų2043 Ų439%0.08723%0.231CC..EExtended strand (participates in β ladder)trans-86.6117.2173.2175.4174.4171.3-177.70108.3V500 L517 E534 F562 M564 D628V500-K515 HydrophobicContact CG2-CB 4.18Å; V500-K515 HydrophobicContact CG2-CG 4.33Å; K515-L517 HydrophobicContact CG-CD2 4.01Å; K515-E534 IonicContact NZ-OE1 3.69Å; K515-E534 PolarHBondContact NZ-OE1 3.1Å; K515-E534 IonicContact NZ-OE2 2.71Å; K515-E534 PolarHBondContact NZ-OE2 2.95Å; K515-F562 HydrophobicContact CB-CB 4.29Å; K515-F562 HydrophobicContact CG-CD2 4.48Å; K515-F562 PolarHBondContact N-O 3.37Å; K515-F562 PolarHBondContact O-N 2.99Å; K515-M564 HydrophobicContact CB-CE 3.65Å; K515-D628 IonicContact NZ-OD1 2.79Å; K515-D628 PolarHBondContact NZ-OD1 2.89Å
516V95.2Very high90Very high7 Ų749.2 Ų49.24%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-114.9114.1-173.9-171.20000110.3G498 K499 M501 V514 R559 L560 F561 L787G498-V516 WeakPolarHBondContact CA-O 3.06Å; K499-V516 PolarHBondContact N-O 3.09Å; K499-V516 PolarHBondContact O-N 3.31Å; M501-V516 HydrophobicContact CE-CG2 3.91Å; V514-V516 HydrophobicContact CG1-CG2 3.88Å; V516-R559 HydrophobicContact CG1-CB 4.25Å; V516-R559 HydrophobicContact CG1-CG 4.19Å; V516-L560 WeakPolarHBondContact CA-O 3.42Å; V516-F561 HydrophobicContact CB-CD1 4.24Å; V516-F561 HydrophobicContact CB-CE1 4.25Å; V516-F561 HydrophobicContact CG1-CD1 3.84Å; V516-F561 HydrophobicContact CG1-CE1 3.5Å; V516-F561 HydrophobicContact CG1-CG 4.46Å; V516-F561 HydrophobicContact CG1-CZ 3.89Å; V516-F561 HydrophobicContact CG2-CD1 3.52Å; V516-F561 HydrophobicContact CG2-CE1 3.7Å; V516-L787 HydrophobicContact CB-CD2 4.42Å; V516-L787 HydrophobicContact CG1-CD2 3.87Å; V516-L787 HydrophobicContact CG2-CD2 4.39Å
517L92.3Very high89.7Confident6 Ų645.6 Ų45.63%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-107.6152.8179.9-48.5-173.1000110.8F497 K515 I522 T531 R559 L560 F562F497-L517 HydrophobicContact CB-CD2 3.89Å; K515-L517 HydrophobicContact CG-CD2 4.01Å; L517-I522 HydrophobicContact CB-CD1 3.83Å; L517-I522 HydrophobicContact CD1-CD1 4.07Å; L517-T531 HydrophobicContact CD1-CG2 4.13Å; L517-R559 WeakPolarHBondContact O-CA 3.38Å; L517-R559 VanDerWaalsContact O-CB 3.25Å; L517-R559 WeakPolarHBondContact O-CB 3.35Å; L517-R559 WeakPolarHBondContact O-CG 3.25Å; L517-L560 PolarHBondContact N-O 2.98Å; L517-L560 PolarHBondContact O-N 3.18Å; L517-F562 HydrophobicContact CD1-CE2 3.76Å; L517-F562 HydrophobicContact CG-CE2 4.2Å
518K90.6Very high89.8Confident51 Ų5142.5 Ų42.522%0.22223%0.225CC..EExtended strand (participates in β ladder)trans-94.3128.9172.1-81.4-169.7167.7-124.50110.8E520 V521 I522 R559 S790K518-E520 VanDerWaalsContact C-N 3.31Å; K518-E520 PolarHBondContact O-N 3.18Å; K518-V521 HydrophobicContact CB-CB 4.26Å; K518-V521 HydrophobicContact CB-CG2 3.86Å; K518-V521 HydrophobicContact CD-CG2 4.45Å; K518-V521 PolarHBondContact O-N 3.13Å; K518-V521 VanDerWaalsContact O-N 3.1Å; K518-I522 WeakPolarHBondContact O-CG1 3.35Å; K518-I522 PolarHBondContact O-N 2.91Å; K518-R559 HydrophobicContact CG-CG 4.44Å; K518-S790 PolarHBondContact NZ-OG 3.15Å
519K90.9Very high89.7Confident1 Ų144.3 Ų44.30%0.00423%0.231CC..Hα-helixtrans-58-41.6176.5-74.5178.8167.5177.30112.5V521 I522 L523 T556 D558 L560 I799 F804K519-V521 VanDerWaalsContact C-N 3.29Å; K519-V521 PolarHBondContact O-N 2.88Å; K519-I522 PolarHBondContact O-N 2.86Å; K519-L523 WeakPolarHBondContact O-CG 3.43Å; K519-L523 PolarHBondContact O-N 3.5Å; K519-T556 WeakPolarHBondContact CE-O 3.21Å; K519-T556 PolarHBondContact NZ-O 3.14Å; K519-D558 PolarHBondContact N-O 3.32Å; K519-L560 HydrophobicContact CD-CD2 4.41Å; K519-L560 VanDerWaalsContact CE-CD2 3.42Å; K519-L560 HydrophobicContact CG-CD2 4.12Å; K519-L560 HydrophobicContact CG-CG 4.08Å; K519-I799 HydrophobicContact CB-CD1 4.2Å; K519-I799 HydrophobicContact CB-CG2 3.95Å; K519-I799 HydrophobicContact CD-CG2 4.1Å; K519-F804 HydrophobicContact CB-CE2 3.95Å; K519-F804 HydrophobicContact CB-CZ 4.25Å; K519-F804 HydrophobicContact CD-CD2 3.87Å; K519-F804 HydrophobicContact CD-CE2 4.02Å; K519-F804 HydrophobicContact CG-CD2 4.04Å; K519-F804 HydrophobicContact CG-CE2 3.78Å; K519-F804 HydrophobicContact CG-CZ 4.12Å
520E86.3Confident89.6Confident85 Ų8545 Ų4540%0.39723%0.23SC..Hα-helixtrans-51.2-44.5173.4-174.7-156.7169.100112.8K518 Q524K518-E520 VanDerWaalsContact C-N 3.31Å; K518-E520 PolarHBondContact O-N 3.18Å; E520-Q524 VanDerWaalsContact O-CB 3.28Å; E520-Q524 WeakPolarHBondContact O-CB 3.42Å; E520-Q524 PolarHBondContact O-N 2.89Å
521V83.9Confident89.7Confident33 Ų3341.3 Ų41.320%0.221%0.213CC..Hα-helixtrans-72.5-42.7-177.3177.30000110.6K518 K519 L523 Q524 D525K518-V521 HydrophobicContact CB-CB 4.26Å; K518-V521 HydrophobicContact CB-CG2 3.86Å; K518-V521 HydrophobicContact CD-CG2 4.45Å; K518-V521 PolarHBondContact O-N 3.13Å; K518-V521 VanDerWaalsContact O-N 3.1Å; K519-V521 VanDerWaalsContact C-N 3.29Å; K519-V521 PolarHBondContact O-N 2.88Å; V521-L523 VanDerWaalsContact C-N 3.33Å; V521-L523 PolarHBondContact O-N 3.48Å; V521-Q524 PolarHBondContact O-N 3.01Å; V521-Q524 VanDerWaalsContact O-N 3.14Å; V521-D525 PolarHBondContact O-N 3.08Å
522I86.4Confident89.7Confident2 Ų241.1 Ų41.11%0.0121%0.212CC..Hα-helixtrans-62.5-41.5177.7-60.2161.6000110.7L517 K518 K519 E526 D527 V528 T531 L560 F804L517-I522 HydrophobicContact CB-CD1 3.83Å; L517-I522 HydrophobicContact CD1-CD1 4.07Å; K518-I522 WeakPolarHBondContact O-CG1 3.35Å; K518-I522 PolarHBondContact O-N 2.91Å; K519-I522 PolarHBondContact O-N 2.86Å; I522-E526 PolarHBondContact O-N 3.05Å; I522-E526 VanDerWaalsContact O-N 3.14Å; I522-D527 VanDerWaalsContact CG2-C 3.49Å; I522-D527 HydrophobicContact CG2-CB 4.27Å; I522-D527 PolarHBondContact O-N 3.26Å; I522-V528 HydrophobicContact CG2-CB 4.38Å; I522-V528 HydrophobicContact CG2-CG2 3.86Å; I522-T531 HydrophobicContact CD1-CG2 4.13Å; I522-T531 WeakPolarHBondContact CG2-OG1 3.34Å; I522-L560 HydrophobicContact CD1-CD1 3.52Å; I522-L560 HydrophobicContact CD1-CG 4.25Å; I522-F804 HydrophobicContact CB-CZ 4.41Å; I522-F804 HydrophobicContact CD1-CE1 4.47Å; I522-F804 HydrophobicContact CG2-CE1 4.11Å; I522-F804 HydrophobicContact CG2-CZ 4.26Å
523L86.2Confident89.5Confident60 Ų6041.2 Ų41.231%0.31421%0.212SC..Hα-helixtrans-68-33.3174.2-69.5176000112.7K519 V521 V528 I799 V803 F804K519-L523 WeakPolarHBondContact O-CG 3.43Å; K519-L523 PolarHBondContact O-N 3.5Å; V521-L523 VanDerWaalsContact C-N 3.33Å; V521-L523 PolarHBondContact O-N 3.48Å; L523-V528 HydrophobicContact CD2-CG2 3.93Å; L523-I799 HydrophobicContact CD1-CB 4.31Å; L523-I799 HydrophobicContact CD1-CG2 3.8Å; L523-V803 HydrophobicContact CD2-CG2 3.99Å; L523-F804 HydrophobicContact CD1-CE2 4.36Å; L523-F804 HydrophobicContact CD2-CE2 4.25Å; L523-F804 HydrophobicContact CD2-CZ 4.18Å; L523-F804 HydrophobicContact CG-CE2 4.2Å; L523-F804 HydrophobicContact CG-CZ 4.14Å
524Q80.2Confident89.5Confident112 Ų11241 Ų4152%0.52321%0.209SC..Hα-helixtrans-74.5-34.2180171.5160.696.100113.8E520 V521E520-Q524 VanDerWaalsContact O-CB 3.28Å; E520-Q524 WeakPolarHBondContact O-CB 3.42Å; E520-Q524 PolarHBondContact O-N 2.89Å; V521-Q524 PolarHBondContact O-N 3.01Å; V521-Q524 VanDerWaalsContact O-N 3.14Å
525D79.5Confident89.5Confident52 Ų5242.8 Ų42.828%0.27822%0.216SC..THydrogen-bonded Turntrans-986.7177.9-78.8-48.1000113.1K212 V521 D527K212-D525 IonicContact NZ-OD1 3.81Å; K212-D525 PolarHBondContact NZ-OD1 3.28Å; K212-D525 IonicContact NZ-OD2 2.73Å; V521-D525 PolarHBondContact O-N 3.08Å; D525-D527 PolarHBondContact O-N 3.23Å
526E84.9Confident89.5Confident163 Ų16346.5 Ų46.576%0.76223%0.23SC*.THydrogen-bonded Turntrans63.514.8179.9-58.5-176.4174.300115.6I522 V528I522-E526 PolarHBondContact O-N 3.05Å; I522-E526 VanDerWaalsContact O-N 3.14Å; E526-V528 VanDerWaalsContact C-N 3.27Å; E526-V528 PolarHBondContact O-N 3.36Å
527D86.6Confident89.5Confident41 Ų4146.3 Ų46.322%0.21923%0.228CC..THydrogen-bonded Turntrans-8021.7-171.3-85.4-44.4000115.8F497 I522 D525 C530 T531F497-D527 VanDerWaalsContact CE1-OD2 3.32Å; F497-D527 WeakPolarHBondContact CE1-OD2 3.34Å; I522-D527 VanDerWaalsContact CG2-C 3.49Å; I522-D527 HydrophobicContact CG2-CB 4.27Å; I522-D527 PolarHBondContact O-N 3.26Å; D525-D527 PolarHBondContact O-N 3.23Å; D527-C530 HydrophobicContact CB-CB 4.25Å; D527-C530 WeakPolarHBondContact O-CB 3.49Å; D527-C530 PolarHBondContact O-N 2.97Å; D527-C530 PolarHBondContact OD1-SG 2.74Å; D527-T531 WeakPolarHBondContact O-CB 3.47Å; D527-T531 PolarHBondContact O-N 2.89Å; D527-T531 PolarHBondContact O-OG1 2.95Å
528V90.4Very high89.7Confident24 Ų2446 Ų4615%0.14523%0.227CC..Hα-helixtrans-62.5-48.2-178.5-179.80000111.3I522 L523 E526 C530 T531 L532 V803 F804I522-V528 HydrophobicContact CG2-CB 4.38Å; I522-V528 HydrophobicContact CG2-CG2 3.86Å; L523-V528 HydrophobicContact CD2-CG2 3.93Å; E526-V528 VanDerWaalsContact C-N 3.27Å; E526-V528 PolarHBondContact O-N 3.36Å; V528-C530 VanDerWaalsContact C-N 3.31Å; V528-C530 PolarHBondContact O-N 2.99Å; V528-T531 PolarHBondContact O-N 3.34Å; V528-L532 HydrophobicContact CG1-CD1 4.07Å; V528-L532 WeakPolarHBondContact O-CG 3.32Å; V528-L532 PolarHBondContact O-N 2.99Å; V528-V803 HydrophobicContact CG1-CB 4.14Å; V528-V803 HydrophobicContact CG1-CG2 3.97Å; V528-V803 HydrophobicContact CG2-CG2 4.12Å; V528-F804 HydrophobicContact CG1-CE1 4.2Å; V528-F804 HydrophobicContact CG2-CE1 4.21Å; V528-F804 HydrophobicContact CG2-CZ 4.17Å
529D89.5Confident89.9Confident111 Ų11145.2 Ų45.259%0.59423%0.226SC*.Hα-helixtrans-60.1-41.7177.1-87.9-5.3000111.7L532 T533D529-L532 PolarHBondContact O-N 3.41Å; D529-T533 VanDerWaalsContact O-CB 3.24Å; D529-T533 WeakPolarHBondContact O-CB 3.37Å; D529-T533 PolarHBondContact O-N 3.47Å; D529-T533 PolarHBondContact O-OG1 3.18Å
530C88.4Confident90.1Very high49 Ų4947.2 Ų47.233%0.33124%0.236SC..Hα-helixtrans-61.3-46.3177.9-51.20000110.4D527 V528 T533 E534D527-C530 HydrophobicContact CB-CB 4.25Å; D527-C530 WeakPolarHBondContact O-CB 3.49Å; D527-C530 PolarHBondContact O-N 2.97Å; D527-C530 PolarHBondContact OD1-SG 2.74Å; V528-C530 VanDerWaalsContact C-N 3.31Å; V528-C530 PolarHBondContact O-N 2.99Å; C530-T533 PolarHBondContact O-N 3.02Å; C530-E534 PolarHBondContact O-N 2.75Å
531T92.9Very high90.5Very high8 Ų843.2 Ų43.25%0.04922%0.218CC..Hα-helixtrans-64.4-43.6179.2-55.30000112.5L517 I522 D527 V528 E534 R535 L560 F562 F807L517-T531 HydrophobicContact CD1-CG2 4.13Å; I522-T531 HydrophobicContact CD1-CG2 4.13Å; I522-T531 WeakPolarHBondContact CG2-OG1 3.34Å; D527-T531 WeakPolarHBondContact O-CB 3.47Å; D527-T531 PolarHBondContact O-N 2.89Å; D527-T531 PolarHBondContact O-OG1 2.95Å; V528-T531 PolarHBondContact O-N 3.34Å; T531-E534 PolarHBondContact O-N 3.14Å; T531-R535 PolarHBondContact O-N 3.36Å; T531-R535 VanDerWaalsContact O-N 3.1Å; T531-L560 HydrophobicContact CG2-CD1 3.62Å; T531-F562 HydrophobicContact CG2-CE2 4.23Å; T531-F562 HydrophobicContact CG2-CZ 3.87Å; T531-F807 HydrophobicContact CG2-CE2 4.24Å
532L94.2Very high91Very high23 Ų2343.1 Ų43.112%0.1222%0.221CC..Hα-helixtrans-71.6-31.9176.8-66.7174.3000112.2V528 D529 R535 R536 F807V528-L532 HydrophobicContact CG1-CD1 4.07Å; V528-L532 WeakPolarHBondContact O-CG 3.32Å; V528-L532 PolarHBondContact O-N 2.99Å; D529-L532 PolarHBondContact O-N 3.41Å; L532-R535 PolarHBondContact O-N 2.76Å; L532-R536 WeakPolarHBondContact O-CG 3.28Å; L532-R536 PolarHBondContact O-N 2.94Å; L532-R536 VanDerWaalsContact O-N 3.13Å; L532-R536 PolarHBondContact O-NH1 2.73Å; L532-F807 HydrophobicContact CD2-CB 4.33Å; L532-F807 HydrophobicContact CD2-CD2 4.24Å
533T93.2Very high91.4Very high5 Ų548.1 Ų48.13%0.03124%0.244CC..Hα-helixtrans-65.5-47.2172.1-590000110.7D529 C530 R535 R536 I537 E634D529-T533 VanDerWaalsContact O-CB 3.24Å; D529-T533 WeakPolarHBondContact O-CB 3.37Å; D529-T533 PolarHBondContact O-N 3.47Å; D529-T533 PolarHBondContact O-OG1 3.18Å; C530-T533 PolarHBondContact O-N 3.02Å; T533-R535 VanDerWaalsContact C-N 3.28Å; T533-R535 PolarHBondContact O-N 3.29Å; T533-R536 PolarHBondContact O-N 2.82Å; T533-R536 VanDerWaalsContact O-N 3.13Å; T533-R536 PolarHBondContact OG1-NH2 2.95Å; T533-I537 HydrophobicContact CG2-CD1 3.69Å; T533-I537 HydrophobicContact CG2-CG1 4.43Å; T533-I537 WeakPolarHBondContact O-CG1 3.3Å; T533-I537 PolarHBondContact O-N 2.86Å; T533-E634 HydrophobicContact CG2-CB 4.26Å; T533-E634 HydrophobicContact CG2-CG 3.87Å
534E95.4Very high91.8Very high6 Ų645.6 Ų45.63%0.02823%0.23CC..Hα-helixtrans-56.1-42.3173.9170.2162.2-145.700111.4K515 C530 T531 R536 I537 L538 F562 F629K515-E534 IonicContact NZ-OE1 3.69Å; K515-E534 PolarHBondContact NZ-OE1 3.1Å; K515-E534 IonicContact NZ-OE2 2.71Å; K515-E534 PolarHBondContact NZ-OE2 2.95Å; C530-E534 PolarHBondContact O-N 2.75Å; T531-E534 PolarHBondContact O-N 3.14Å; E534-R536 PolarHBondContact O-N 2.79Å; E534-I537 PolarHBondContact O-N 3.18Å; E534-L538 HydrophobicContact CG-CD1 3.55Å; E534-L538 HydrophobicContact CG-CG 4.15Å; E534-L538 WeakPolarHBondContact O-CB 3.16Å; E534-L538 WeakPolarHBondContact O-CG 3.47Å; E534-L538 PolarHBondContact O-N 2.83Å; E534-F562 HydrophobicContact CG-CE1 3.98Å; E534-F562 HydrophobicContact CG-CZ 4.27Å; E534-F629 HydrophobicContact CG-CB 4.23Å; E534-F629 PolarHBondContact OE1-N 3.16Å
535R95.9Very high92.5Very high40 Ų4041.1 Ų41.115%0.15121%0.211CC..Hα-helixtrans-59.9-45.7175.6-165.5-166.364.766.6-11112.3T531 L532 T533 I537 V539 L550 A553 F562 D806 F807 C809T531-R535 PolarHBondContact O-N 3.36Å; T531-R535 VanDerWaalsContact O-N 3.1Å; L532-R535 PolarHBondContact O-N 2.76Å; T533-R535 VanDerWaalsContact C-N 3.28Å; T533-R535 PolarHBondContact O-N 3.29Å; R535-I537 VanDerWaalsContact C-N 3.32Å; R535-I537 PolarHBondContact O-N 2.96Å; R535-V539 WeakPolarHBondContact O-CG2 3.45Å; R535-V539 PolarHBondContact O-N 2.9Å; R535-L550 HydrophobicContact CG-CD2 4.3Å; R535-A553 HydrophobicContact CG-CB 4.17Å; R535-F562 HydrophobicContact CB-CE1 3.88Å; R535-F562 HydrophobicContact CG-CE1 4.33Å; R535-D806 VanDerWaalsContact CZ-O 3.3Å; R535-D806 PolarHBondContact NE-O 3.35Å; R535-D806 PolarHBondContact NH2-O 3.19Å; R535-F807 WeakPolarHBondContact CD-O 3.49Å; R535-C809 PolarHBondContact NH1-SG 2.84Å; R535-C809 VanDerWaalsContact NH1-SG 3.37Å
536R96Very high93.3Very high98 Ų9838.7 Ų38.737%0.3720%0.198SC..Hα-helixtrans-60.7-42.2178.2-72.7-173.5-71.3-86.810.9111.5L532 T533 E534 V539 L540 E634L532-R536 WeakPolarHBondContact O-CG 3.28Å; L532-R536 PolarHBondContact O-N 2.94Å; L532-R536 VanDerWaalsContact O-N 3.13Å; L532-R536 PolarHBondContact O-NH1 2.73Å; T533-R536 PolarHBondContact O-N 2.82Å; T533-R536 VanDerWaalsContact O-N 3.13Å; T533-R536 PolarHBondContact OG1-NH2 2.95Å; E534-R536 PolarHBondContact O-N 2.79Å; R536-V539 PolarHBondContact O-N 2.71Å; R536-L540 PolarHBondContact O-N 3.34Å; R536-E634 IonicContact CZ-OE1 3.71Å; R536-E634 IonicContact CZ-OE2 3.31Å; R536-E634 IonicContact NE-OE1 3.59Å; R536-E634 PolarHBondContact NE-OE1 3.49Å; R536-E634 IonicContact NE-OE2 3.69Å; R536-E634 PolarHBondContact NE-OE2 3.07Å; R536-E634 IonicContact NH2-OE1 2.71Å; R536-E634 PolarHBondContact NH2-OE1 3.15Å; R536-E634 IonicContact NH2-OE2 3.93Å
537I96.2Very high93.9Very high2 Ų231 Ų311%0.0116%0.162CC..Hα-helixtrans-72.2-41.4-178.2-62.9169.5000111.5T533 E534 R535 V539 L540 A541 L601 I606 F629 C632T533-I537 HydrophobicContact CG2-CD1 3.69Å; T533-I537 HydrophobicContact CG2-CG1 4.43Å; T533-I537 WeakPolarHBondContact O-CG1 3.3Å; T533-I537 PolarHBondContact O-N 2.86Å; E534-I537 PolarHBondContact O-N 3.18Å; R535-I537 VanDerWaalsContact C-N 3.32Å; R535-I537 PolarHBondContact O-N 2.96Å; I537-V539 VanDerWaalsContact C-N 3.26Å; I537-V539 PolarHBondContact O-N 3.01Å; I537-L540 PolarHBondContact O-N 3.16Å; I537-A541 WeakPolarHBondContact O-CB 3.41Å; I537-A541 PolarHBondContact O-N 2.96Å; I537-L601 HydrophobicContact CG2-CD2 4.13Å; I537-I606 HydrophobicContact CD1-CD1 4.31Å; I537-I606 HydrophobicContact CD1-CG1 4.31Å; I537-I606 HydrophobicContact CD1-CG2 3.77Å; I537-I606 HydrophobicContact CG1-CD1 3.88Å; I537-I606 HydrophobicContact CG1-CG1 4.37Å; I537-I606 HydrophobicContact CG1-CG2 4.5Å; I537-F629 HydrophobicContact CB-CB 4.3Å; I537-F629 HydrophobicContact CB-CG 4.5Å; I537-F629 HydrophobicContact CG2-CB 3.95Å; I537-F629 HydrophobicContact CG2-CD1 3.54Å; I537-F629 HydrophobicContact CG2-CD2 4.4Å; I537-F629 HydrophobicContact CG2-CE1 4.15Å; I537-F629 HydrophobicContact CG2-CG 3.69Å; I537-C632 HydrophobicContact CD1-CB 3.28Å
538L95.8Very high94.3Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-63.9-27.9176.1-78.2168.4000113.1E534 T548 L550 F562 M564 F629E534-L538 HydrophobicContact CG-CD1 3.55Å; E534-L538 HydrophobicContact CG-CG 4.15Å; E534-L538 WeakPolarHBondContact O-CB 3.16Å; E534-L538 WeakPolarHBondContact O-CG 3.47Å; E534-L538 PolarHBondContact O-N 2.83Å; L538-T548 WeakPolarHBondContact CD2-O 3.48Å; L538-L550 HydrophobicContact CB-CB 3.96Å; L538-L550 HydrophobicContact CB-CD1 4.29Å; L538-L550 HydrophobicContact CD1-CD1 4.37Å; L538-L550 WeakPolarHBondContact O-CB 3.22Å; L538-L550 PolarHBondContact O-N 3.29Å; L538-F562 HydrophobicContact CD1-CD1 3.56Å; L538-F562 HydrophobicContact CD1-CE1 3.99Å; L538-F562 HydrophobicContact CD1-CG 4.36Å; L538-M564 HydrophobicContact CD1-SD 4.01Å; L538-M564 HydrophobicContact CD2-CG 4.44Å; L538-M564 HydrophobicContact CD2-SD 3.91Å; L538-F629 HydrophobicContact CD2-CD2 3.45Å; L538-F629 VanDerWaalsContact CD2-CD2 3.45Å; L538-F629 HydrophobicContact CD2-CE2 3.65Å; L538-F629 HydrophobicContact CG-CD2 3.81Å; L538-F629 HydrophobicContact CG-CE2 4.43Å
539V95.6Very high94.5Very high35 Ų3528.4 Ų28.421%0.21215%0.149CC..Hα-helixtrans-70.2-53.5169.4170.30000110.5R535 R536 I537 A541 A542 L550 N811R535-V539 WeakPolarHBondContact O-CG2 3.45Å; R535-V539 PolarHBondContact O-N 2.9Å; R536-V539 PolarHBondContact O-N 2.71Å; I537-V539 VanDerWaalsContact C-N 3.26Å; I537-V539 PolarHBondContact O-N 3.01Å; V539-A541 PolarHBondContact O-N 2.92Å; V539-A542 WeakPolarHBondContact O-CB 3.45Å; V539-A542 PolarHBondContact O-N 3.08Å; V539-A542 VanDerWaalsContact O-N 3.13Å; V539-L550 HydrophobicContact CG2-CB 4.41Å; V539-L550 HydrophobicContact CG2-CD2 3.67Å; V539-N811 PolarHBondContact O-ND2 3.02Å
540L95.2Very high94.8Very high42 Ų4223.1 Ų23.122%0.2212%0.12CC..Hα-helixtrans-56.5-33179178.170.5000112.9R536 I537 A542 H543 F600 H604 I606R536-L540 PolarHBondContact O-N 3.34Å; I537-L540 PolarHBondContact O-N 3.16Å; L540-A542 PolarHBondContact O-N 3.4Å; L540-A542 VanDerWaalsContact O-N 3.1Å; L540-H543 PolarHBondContact O-CD2 3.33Å; L540-H543 PolarHBondContact O-N 3.49Å; L540-H543 VanDerWaalsContact O-N 3.15Å; L540-F600 HydrophobicContact CD1-CZ 4.32Å; L540-F600 HydrophobicContact CD2-CE1 4.35Å; L540-F600 HydrophobicContact CG-CE1 4.05Å; L540-F600 HydrophobicContact CG-CZ 4.15Å; L540-H604 HydrophobicContact CD2-CB 3.87Å; L540-I606 HydrophobicContact CD2-CD1 3.66Å
541A95Very high95.1Very high1 Ų122.2 Ų22.21%0.00811%0.11CC..G310 helixtrans-57.5-21178.100000114.3I537 V539 H543 H544 L547 T548I537-A541 WeakPolarHBondContact O-CB 3.41Å; I537-A541 PolarHBondContact O-N 2.96Å; V539-A541 PolarHBondContact O-N 2.92Å; A541-H543 PolarHBondContact O-N 2.78Å; A541-H543 VanDerWaalsContact O-N 3.15Å; A541-H544 PolarHBondContact O-N 3.13Å; A541-L547 HydrophobicContact CB-CB 3.7Å; A541-L547 HydrophobicContact CB-CD1 4.06Å; A541-T548 WeakPolarHBondContact CB-O 3.38Å
542A93.6Very high95.3Very high31 Ų3121.8 Ų21.826%0.25611%0.108SC..G310 helixtrans-58.8-23.2174.700000113.8V539 L540 A549 D813V539-A542 WeakPolarHBondContact O-CB 3.45Å; V539-A542 PolarHBondContact O-N 3.08Å; V539-A542 VanDerWaalsContact O-N 3.13Å; L540-A542 PolarHBondContact O-N 3.4Å; L540-A542 VanDerWaalsContact O-N 3.1Å; A542-A549 HydrophobicContact CB-CB 4.05Å; A542-D813 HydrophobicContact CB-CB 4.3Å
543H93.8Very high95.4Very high108 Ų10820.7 Ų20.750%0.510%0.102SC..G310 helixtrans-86.63.3179.8-55-68.1000114.8L540 A541 F600 D813L540-H543 PolarHBondContact O-CD2 3.33Å; L540-H543 PolarHBondContact O-N 3.49Å; L540-H543 VanDerWaalsContact O-N 3.15Å; A541-H543 PolarHBondContact O-N 2.78Å; A541-H543 VanDerWaalsContact O-N 3.15Å; H543-F600 HydrophobicContact CB-CE2 4.21Å; H543-F600 HydrophobicContact CB-CZ 4.1Å; H543-D813 IonicContact CE1-OD1 3.42Å; H543-D813 PolarHBondContact CE1-OD1 3.48Å
544H95.1Very high95.6Very high6 Ų620.7 Ų20.73%0.02810%0.102CC..  trans-133.4128.8-178.8-171-98.2000113.2A541 F546 L547 A597 F600A541-H544 PolarHBondContact O-N 3.13Å; H544-F546 AromaticContact CE1-CD2 3.73Å; H544-F546 PolarHBondContact ND1-N 3.09Å; H544-F546 PolarHBondContact O-N 3.05Å; H544-F546 VanDerWaalsContact O-N 3.13Å; H544-L547 HydrophobicContact CB-CD1 4.03Å; H544-L547 HydrophobicContact CB-CG 4.08Å; H544-L547 PolarHBondContact O-N 3.23Å; H544-A597 WeakPolarHBondContact CE1-CA 3.36Å; H544-A597 PolarHBondContact CE1-N 3.28Å; H544-A597 VanDerWaalsContact CE1-N 3.35Å; H544-F600 HydrophobicContact CB-CD1 4.06Å; H544-F600 HydrophobicContact CB-CD2 3.83Å; H544-F600 HydrophobicContact CB-CE1 4.14Å; H544-F600 HydrophobicContact CB-CE2 3.91Å; H544-F600 HydrophobicContact CB-CG 3.91Å; H544-F600 HydrophobicContact CB-CZ 4.07Å; H544-F600 AromaticContact CD2-CD2 3.81Å; H544-F600 AromaticContact CD2-CG 3.88Å; H544-F600 AromaticContact CG-CG 3.91Å
545P95Very high95.6Very high18 Ų1822.7 Ų22.712%0.11711%0.111CC..THydrogen-bonded Turntrans-64.1-23.7-170.825.1-36.1000114.8K625 E755 R757 Y819P545-K625 WeakPolarHBondContact O-CE 3.4Å; P545-K625 PolarHBondContact O-NZ 2.84Å; P545-E755 HydrophobicContact CG-CG 4.29Å; P545-E755 WeakPolarHBondContact CG-O 3.25Å; P545-R757 HydrophobicContact CB-CG 4.22Å; P545-Y819 HydrophobicContact CB-CE2 4.06Å
546F97.5Very high95.4Very high1 Ų122.6 Ų22.60%0.00412%0.115CC..THydrogen-bonded Turntrans-107.314.6-175.7-49.5-54.4000114.6H544 E593 L596 A597 H623 C624 K625 L626 L754 R757H544-F546 AromaticContact CE1-CD2 3.73Å; H544-F546 PolarHBondContact ND1-N 3.09Å; H544-F546 PolarHBondContact O-N 3.05Å; H544-F546 VanDerWaalsContact O-N 3.13Å; F546-E593 HydrophobicContact CD1-CB 4.16Å; F546-E593 HydrophobicContact CD1-CG 4.28Å; F546-E593 HydrophobicContact CD2-CB 3.96Å; F546-E593 HydrophobicContact CD2-CG 4.34Å; F546-E593 HydrophobicContact CE1-CB 4.25Å; F546-E593 VanDerWaalsContact CE1-CD 3.47Å; F546-E593 HydrophobicContact CE1-CG 3.86Å; F546-E593 WeakPolarHBondContact CE1-OE1 3.32Å; F546-E593 HydrophobicContact CE2-CB 4.06Å; F546-E593 HydrophobicContact CE2-CG 3.94Å; F546-E593 HydrophobicContact CG-CB 4.01Å; F546-E593 HydrophobicContact CG-CG 4.5Å; F546-E593 HydrophobicContact CZ-CB 4.19Å; F546-E593 HydrophobicContact CZ-CG 3.67Å; F546-E593 WeakPolarHBondContact CZ-OE1 2.94Å; F546-L596 HydrophobicContact CD2-CB 4.21Å; F546-L596 HydrophobicContact CD2-CD1 4.35Å; F546-L596 HydrophobicContact CE2-CB 4.49Å; F546-L596 HydrophobicContact CE2-CD1 3.8Å; F546-A597 HydrophobicContact CB-CB 4.36Å; F546-H623 HydrophobicContact CD1-CB 4.5Å; F546-H623 HydrophobicContact CE1-CB 4.16Å; F546-H623 AromaticContact CE1-ND1 3.89Å; F546-C624 WeakPolarHBondContact CA-O 3.42Å; F546-C624 WeakPolarHBondContact CD1-O 3.4Å; F546-K625 WeakPolarHBondContact O-CA 3.36Å; F546-L626 PolarHBondContact O-N 2.71Å; F546-L754 HydrophobicContact CE2-CG 4.49Å; F546-L754 HydrophobicContact CZ-CG 4.39Å; F546-L754 WeakPolarHBondContact CZ-O 3.18Å; F546-R757 HydrophobicContact CE1-CG 3.76Å; F546-R757 HydrophobicContact CZ-CG 3.94Å
547L97Very high95.1Very high1 Ų124.6 Ų24.61%0.00513%0.128CC..BIsolated β-bridgetrans-109.5149.6168.9-59.7-177.5000110.3A541 H544 A597 F600 L601 K625 L626 F629A541-L547 HydrophobicContact CB-CB 3.7Å; A541-L547 HydrophobicContact CB-CD1 4.06Å; H544-L547 HydrophobicContact CB-CD1 4.03Å; H544-L547 HydrophobicContact CB-CG 4.08Å; H544-L547 PolarHBondContact O-N 3.23Å; L547-A597 HydrophobicContact CD2-CB 3.7Å; L547-F600 HydrophobicContact CD1-CD1 3.62Å; L547-F600 HydrophobicContact CD1-CE1 3.78Å; L547-L601 HydrophobicContact CD1-CD2 4.02Å; L547-L601 HydrophobicContact CD1-CG 4.32Å; L547-L601 HydrophobicContact CD2-CD1 4.36Å; L547-K625 WeakPolarHBondContact O-CD 3.33Å; L547-K625 PolarHBondContact O-NZ 3.13Å; L547-L626 HydrophobicContact CD2-CB 3.95Å; L547-L626 HydrophobicContact CD2-CD2 4.09Å; L547-F629 HydrophobicContact CB-CZ 4.18Å; L547-F629 HydrophobicContact CD2-CE1 4.11Å; L547-F629 HydrophobicContact CD2-CZ 4.02Å
548T95.6Very high94.8Very high6 Ų625.8 Ų25.84%0.03713%0.134CC..PPolyproline II helixtrans-79.2125.2170.759.40000111.5L538 A541 E565 V567 L617 K625 L626 A627L538-T548 WeakPolarHBondContact CD2-O 3.48Å; A541-T548 WeakPolarHBondContact CB-O 3.38Å; T548-E565 WeakPolarHBondContact CA-OE1 3.44Å; T548-V567 HydrophobicContact CG2-CG2 4.06Å; T548-L617 HydrophobicContact CG2-CD1 4.4Å; T548-K625 HydrophobicContact CG2-CB 3.96Å; T548-K625 HydrophobicContact CG2-CD 4.31Å; T548-L626 PolarHBondContact N-O 3.36Å; T548-L626 PolarHBondContact OG1-O 2.84Å; T548-A627 HydrophobicContact CG2-CB 3.83Å
549A94.5Very high94.7Very high6 Ų626.6 Ų26.65%0.0514%0.138CC..PPolyproline II helixtrans-96.2149.3-176.600000114.2A542 M564 E565 Y814A542-A549 HydrophobicContact CB-CB 4.05Å; A549-M564 WeakPolarHBondContact O-CA 3.39Å; A549-E565 PolarHBondContact N-OE1 2.83Å; A549-E565 PolarHBondContact O-N 3.13Å; A549-E565 VanDerWaalsContact O-N 3.17Å; A549-Y814 HydrophobicContact CB-CD2 4Å; A549-Y814 HydrophobicContact CB-CE2 4.16Å
550L95.6Very high94.7Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-78.1134.1168.5-158.771.2000111.1R535 L538 V539 C552 A553 F562 M564 N811 Y814R535-L550 HydrophobicContact CG-CD2 4.3Å; L538-L550 HydrophobicContact CB-CB 3.96Å; L538-L550 HydrophobicContact CB-CD1 4.29Å; L538-L550 HydrophobicContact CD1-CD1 4.37Å; L538-L550 WeakPolarHBondContact O-CB 3.22Å; L538-L550 PolarHBondContact O-N 3.29Å; V539-L550 HydrophobicContact CG2-CB 4.41Å; V539-L550 HydrophobicContact CG2-CD2 3.67Å; L550-C552 WeakPolarHBondContact CD1-O 3.44Å; L550-A553 HydrophobicContact CD2-CB 3.98Å; L550-F562 HydrophobicContact CD1-CB 3.92Å; L550-F562 HydrophobicContact CD1-CD1 4.09Å; L550-M564 HydrophobicContact CD1-CG 4.11Å; L550-N811 VanDerWaalsContact O-CB 3.23Å; L550-N811 WeakPolarHBondContact O-CB 3.33Å; L550-N811 PolarHBondContact O-ND2 2.83Å; L550-Y814 WeakPolarHBondContact O-CD2 3.34Å
551Y94.8Very high94.7Very high29 Ų2923 Ų2311%0.11412%0.117CC..EExtended strand (participates in β ladder)trans-85-54.3162.1174.3-128000110.8P481 Y505 F512 V563 F810 N811 Y814P481-Y551 HydrophobicContact CG-CE1 4.27Å; Y505-Y551 HydrophobicContact CE1-CE1 4.49Å; F512-Y551 HydrophobicContact CD1-CD1 4.15Å; F512-Y551 HydrophobicContact CD1-CG 4.32Å; F512-Y551 AromaticContact CE1-CD1 3.49Å; F512-Y551 HydrophobicContact CE1-CD1 3.49Å; F512-Y551 VanDerWaalsContact CE1-CD1 3.49Å; F512-Y551 HydrophobicContact CE1-CD2 4.28Å; F512-Y551 HydrophobicContact CE1-CE1 4.16Å; F512-Y551 AromaticContact CE1-CG 3.54Å; F512-Y551 HydrophobicContact CE1-CG 3.54Å; F512-Y551 HydrophobicContact CE2-CD1 4.36Å; F512-Y551 HydrophobicContact CE2-CE1 4.39Å; F512-Y551 AromaticContact CZ-CD1 3.61Å; F512-Y551 HydrophobicContact CZ-CD1 3.61Å; F512-Y551 AromaticContact CZ-CE1 3.79Å; F512-Y551 HydrophobicContact CZ-CE1 3.79Å; F512-Y551 HydrophobicContact CZ-CG 4Å; Y551-V563 HydrophobicContact CD1-CG1 3.98Å; Y551-V563 PolarHBondContact N-O 2.67Å; Y551-F810 HydrophobicContact CD2-CE2 4.28Å; Y551-F810 HydrophobicContact CD2-CZ 4.49Å; Y551-F810 AromaticContact CE2-CE2 3.55Å; Y551-F810 HydrophobicContact CE2-CE2 3.55Å; Y551-F810 AromaticContact CE2-CZ 3.76Å; Y551-F810 HydrophobicContact CE2-CZ 3.76Å; Y551-F810 AromaticContact CZ-CE2 3.72Å; Y551-N811 WeakPolarHBondContact O-CB 3.45Å; Y551-N811 PolarHBondContact O-N 3.29Å; Y551-Y814 AromaticContact CD2-CD1 3.42Å; Y551-Y814 HydrophobicContact CD2-CD1 3.42Å; Y551-Y814 VanDerWaalsContact CD2-CD1 3.42Å; Y551-Y814 AromaticContact CD2-CE1 3.68Å; Y551-Y814 HydrophobicContact CD2-CE1 3.68Å; Y551-Y814 HydrophobicContact CD2-CG 4.09Å; Y551-Y814 HydrophobicContact CE2-CD1 4.26Å; Y551-Y814 HydrophobicContact CG-CD1 4.17Å; Y551-Y814 HydrophobicContact CG-CE1 4.08Å
552C95.8Very high94.8Very high0 Ų022.9 Ų22.90%012%0.117CC..EExtended strand (participates in β ladder)trans-152.1164.2172.465.50000111.9I480 L550 V563 C809 F810I480-C552 HydrophobicContact CG2-CB 4.43Å; L550-C552 WeakPolarHBondContact CD1-O 3.44Å; C552-V563 PolarHBondContact N-O 2.99Å; C552-V563 WeakPolarHBondContact O-CB 3.48Å; C552-V563 PolarHBondContact O-N 2.83Å; C552-C809 CarbonylContact C-O 3.51Å; C552-C809 WeakPolarHBondContact CA-O 3.22Å; C552-C809 VanDerWaalsContact CB-O 3.3Å; C552-C809 WeakPolarHBondContact CB-O 3.47Å; C552-F810 HydrophobicContact CB-CD2 4.33Å
553A97.3Very high95Very high0 Ų021.4 Ų21.40%011%0.105CC..EExtended strand (participates in β ladder)trans-126.5140.2165.700000108.9R535 L550 F561 F807 D808 C809R535-A553 HydrophobicContact CG-CB 4.17Å; L550-A553 HydrophobicContact CD2-CB 3.98Å; A553-F561 VanDerWaalsContact CA-O 3.27Å; A553-F561 WeakPolarHBondContact CA-O 3.25Å; A553-F807 HydrophobicContact CB-CD1 4.23Å; A553-F807 HydrophobicContact CB-CE1 3.67Å; A553-F807 HydrophobicContact CB-CZ 3.87Å; A553-F807 WeakPolarHBondContact CB-O 3.27Å; A553-D808 WeakPolarHBondContact O-CA 3.28Å; A553-C809 PolarHBondContact N-O 3.36Å; A553-C809 PolarHBondContact O-N 3.45Å
554F96.8Very high95.1Very high5 Ų517.2 Ų17.22%0.0229%0.085CC..EExtended strand (participates in β ladder)trans-148159.8177.469.1-95.1000111I480 P481 L483 F486 F561 V563 F807I480-F554 HydrophobicContact CG2-CB 4.18Å; P481-F554 WeakPolarHBondContact O-CD1 3.25Å; P481-F554 VanDerWaalsContact O-CG 3.29Å; P481-F554 WeakPolarHBondContact O-CG 3.43Å; L483-F554 HydrophobicContact CB-CE2 3.96Å; L483-F554 HydrophobicContact CB-CZ 4.46Å; F486-F554 HydrophobicContact CD2-CE1 4.07Å; F486-F554 HydrophobicContact CD2-CZ 4.19Å; F486-F554 HydrophobicContact CE2-CD1 4.47Å; F486-F554 AromaticContact CE2-CE1 3.6Å; F486-F554 HydrophobicContact CE2-CE1 3.6Å; F486-F554 HydrophobicContact CE2-CZ 4.17Å; F486-F554 HydrophobicContact CZ-CE1 4.46Å; F554-F561 HydrophobicContact CD1-CB 4.04Å; F554-F561 HydrophobicContact CD2-CB 4.01Å; F554-F561 AromaticContact CD2-CD2 3.81Å; F554-F561 HydrophobicContact CD2-CD2 3.81Å; F554-F561 HydrophobicContact CD2-CG 4.07Å; F554-F561 HydrophobicContact CE1-CB 3.71Å; F554-F561 HydrophobicContact CE1-CG 4.26Å; F554-F561 HydrophobicContact CE2-CB 3.66Å; F554-F561 AromaticContact CE2-CD1 4Å; F554-F561 HydrophobicContact CE2-CD1 4Å; F554-F561 AromaticContact CE2-CD2 3.37Å; F554-F561 HydrophobicContact CE2-CD2 3.37Å; F554-F561 AromaticContact CE2-CE2 3.97Å; F554-F561 HydrophobicContact CE2-CE2 3.97Å; F554-F561 AromaticContact CE2-CG 3.41Å; F554-F561 HydrophobicContact CE2-CG 3.41Å; F554-F561 VanDerWaalsContact CE2-CG 3.41Å; F554-F561 HydrophobicContact CG-CB 4.19Å; F554-F561 HydrophobicContact CZ-CB 3.51Å; F554-F561 AromaticContact CZ-CD1 3.84Å; F554-F561 HydrophobicContact CZ-CD1 3.84Å; F554-F561 HydrophobicContact CZ-CD2 4.02Å; F554-F561 AromaticContact CZ-CG 3.53Å; F554-F561 HydrophobicContact CZ-CG 3.53Å; F554-F561 PolarHBondContact N-O 2.65Å; F554-F561 WeakPolarHBondContact O-CB 3.32Å; F554-F561 PolarHBondContact O-N 3.39Å; F554-V563 HydrophobicContact CD1-CG2 4.11Å; F554-V563 HydrophobicContact CE1-CG2 3.66Å; F554-F807 WeakPolarHBondContact O-CE1 3.29Å
555Q95Very high95Very high48 Ų4817.8 Ų17.822%0.2249%0.088CC..EExtended strand (participates in β ladder)trans-123.4167.6-179.771.2-165.5-81.100114.5R559 L560 F804 F807 D808Q555-R559 WeakPolarHBondContact CA-O 3.27Å; Q555-L560 HydrophobicContact CB-CD2 3.7Å; Q555-F804 PolarHBondContact NE2-O 3.39Å; Q555-F807 HydrophobicContact CB-CD1 4.26Å; Q555-D808 VanDerWaalsContact CG-OD1 3.22Å; Q555-D808 WeakPolarHBondContact CG-OD1 3.5Å; Q555-D808 PolarHBondContact N-OD1 2.72Å; Q555-D808 VanDerWaalsContact N-OD1 3.11Å; Q555-D808 PolarHBondContact N-OD2 2.96Å; Q555-D808 PolarHBondContact NE2-OD1 3.33Å
556T92.4Very high95Very high38 Ų3817.7 Ų17.723%0.2339%0.086CC..  trans-126.3-179.6165.751.40000108.2L483 K519 D558 R559 F561L483-T556 HydrophobicContact CD2-CG2 4.18Å; K519-T556 WeakPolarHBondContact CE-O 3.21Å; K519-T556 PolarHBondContact NZ-O 3.14Å; T556-D558 PolarHBondContact O-N 3.39Å; T556-D558 PolarHBondContact OG1-OD1 3.44Å; T556-D558 VanDerWaalsContact OG1-OD1 3.09Å; T556-R559 PolarHBondContact N-O 3.34Å; T556-R559 WeakPolarHBondContact OG1-CB 3.23Å; T556-R559 PolarHBondContact OG1-N 3.15Å; T556-R559 VanDerWaalsContact OG1-N 3.13Å; T556-R559 PolarHBondContact OG1-O 2.98Å; T556-F561 HydrophobicContact CG2-CE2 3.77Å; T556-F561 HydrophobicContact CG2-CZ 4.47Å
557E90Very high94.9Very high139 Ų13917.9 Ų17.965%0.659%0.087SC*.SBendtrans-57-29.4175.1-60.4-17916800112.9Q801E557-Q801 PolarHBondContact O-NE2 3.04Å
558D90.1Very high94.6Very high27 Ų2718.8 Ų18.814%0.1449%0.091CC..SBendtrans-117.3-16.4-170.881.9-34.8000115.3K519 T556 S790 L796K519-D558 PolarHBondContact N-O 3.32Å; T556-D558 PolarHBondContact O-N 3.39Å; T556-D558 PolarHBondContact OG1-OD1 3.44Å; T556-D558 VanDerWaalsContact OG1-OD1 3.09Å; D558-S790 WeakPolarHBondContact OD2-CB 3.46Å; D558-S790 PolarHBondContact OD2-OG 2.66Å; D558-L796 HydrophobicContact CB-CD2 3.43Å; D558-L796 VanDerWaalsContact CB-CD2 3.43Å
559R92.9Very high94.5Very high18 Ų1818.5 Ų18.57%0.0689%0.09CC..EExtended strand (participates in β ladder)trans-138.6161.2-171.9-69.9157-146.2-95.6-17.4114.3V516 L517 K518 Q555 T556 F561 T788 S790V516-R559 HydrophobicContact CG1-CB 4.25Å; V516-R559 HydrophobicContact CG1-CG 4.19Å; L517-R559 WeakPolarHBondContact O-CA 3.38Å; L517-R559 VanDerWaalsContact O-CB 3.25Å; L517-R559 WeakPolarHBondContact O-CB 3.35Å; L517-R559 WeakPolarHBondContact O-CG 3.25Å; K518-R559 HydrophobicContact CG-CG 4.44Å; Q555-R559 WeakPolarHBondContact CA-O 3.27Å; T556-R559 PolarHBondContact N-O 3.34Å; T556-R559 WeakPolarHBondContact OG1-CB 3.23Å; T556-R559 PolarHBondContact OG1-N 3.15Å; T556-R559 VanDerWaalsContact OG1-N 3.13Å; T556-R559 PolarHBondContact OG1-O 2.98Å; R559-F561 HydrophobicContact CB-CD2 4.25Å; R559-F561 HydrophobicContact CB-CE2 3.56Å; R559-F561 HydrophobicContact CB-CZ 3.96Å; R559-T788 PolarHBondContact NH1-O 2.78Å; R559-T788 PolarHBondContact NH2-O 3.4Å; R559-S790 PolarHBondContact NH2-OG 3.18Å
560L95.2Very high94.3Very high0 Ų018.2 Ų18.20%09%0.087CC..EExtended strand (participates in β ladder)trans-116.2139.6167.6-55.5-179.3000109.3V516 L517 K519 I522 T531 Q555 F804 F807V516-L560 WeakPolarHBondContact CA-O 3.42Å; L517-L560 PolarHBondContact N-O 2.98Å; L517-L560 PolarHBondContact O-N 3.18Å; K519-L560 HydrophobicContact CD-CD2 4.41Å; K519-L560 VanDerWaalsContact CE-CD2 3.42Å; K519-L560 HydrophobicContact CG-CD2 4.12Å; K519-L560 HydrophobicContact CG-CG 4.08Å; I522-L560 HydrophobicContact CD1-CD1 3.52Å; I522-L560 HydrophobicContact CD1-CG 4.25Å; T531-L560 HydrophobicContact CG2-CD1 3.62Å; Q555-L560 HydrophobicContact CB-CD2 3.7Å; L560-F804 HydrophobicContact CD1-CD1 3.74Å; L560-F804 HydrophobicContact CD1-CE1 3.83Å; L560-F804 HydrophobicContact CD2-CB 4.29Å; L560-F804 HydrophobicContact CD2-CD1 4.12Å; L560-F804 HydrophobicContact CD2-CG 4.23Å; L560-F804 HydrophobicContact CG-CD1 4.45Å; L560-F807 HydrophobicContact CB-CD1 4.36Å; L560-F807 HydrophobicContact CB-CE1 3.79Å; L560-F807 HydrophobicContact CB-CE2 4.07Å; L560-F807 HydrophobicContact CB-CZ 3.65Å; L560-F807 HydrophobicContact CD1-CD2 3.95Å; L560-F807 HydrophobicContact CD1-CE2 3.91Å; L560-F807 HydrophobicContact CD1-CG 4.43Å; L560-F807 HydrophobicContact CD1-CZ 4.36Å; L560-F807 HydrophobicContact CD2-CB 4.47Å; L560-F807 HydrophobicContact CD2-CD1 3.8Å; L560-F807 HydrophobicContact CD2-CD2 4.23Å; L560-F807 HydrophobicContact CD2-CE1 4.12Å; L560-F807 HydrophobicContact CD2-CG 3.87Å; L560-F807 HydrophobicContact CD2-CZ 4.5Å; L560-F807 HydrophobicContact CG-CD2 4.49Å; L560-F807 HydrophobicContact CG-CE1 4.43Å; L560-F807 HydrophobicContact CG-CE2 4.4Å; L560-F807 HydrophobicContact CG-CZ 4.39Å
561F97Very high94.1Very high0 Ų019.8 Ų19.80%010%0.096CC..EExtended strand (participates in β ladder)trans-124.7119.9-178.9-61.5-102.7000109.6L483 F488 V514 V516 A553 F554 T556 R559 L787L483-F561 HydrophobicContact CD1-CD1 4.32Å; L483-F561 HydrophobicContact CD1-CE1 3.55Å; L483-F561 HydrophobicContact CD1-CZ 3.71Å; L483-F561 HydrophobicContact CD2-CZ 4.11Å; L483-F561 HydrophobicContact CG-CZ 4.44Å; F488-F561 HydrophobicContact CZ-CE1 4.29Å; V514-F561 HydrophobicContact CG1-CB 4.29Å; V514-F561 HydrophobicContact CG1-CD1 4.04Å; V516-F561 HydrophobicContact CB-CD1 4.24Å; V516-F561 HydrophobicContact CB-CE1 4.25Å; V516-F561 HydrophobicContact CG1-CD1 3.84Å; V516-F561 HydrophobicContact CG1-CE1 3.5Å; V516-F561 HydrophobicContact CG1-CG 4.46Å; V516-F561 HydrophobicContact CG1-CZ 3.89Å; V516-F561 HydrophobicContact CG2-CD1 3.52Å; V516-F561 HydrophobicContact CG2-CE1 3.7Å; A553-F561 VanDerWaalsContact CA-O 3.27Å; A553-F561 WeakPolarHBondContact CA-O 3.25Å; F554-F561 HydrophobicContact CD1-CB 4.04Å; F554-F561 HydrophobicContact CD2-CB 4.01Å; F554-F561 AromaticContact CD2-CD2 3.81Å; F554-F561 HydrophobicContact CD2-CD2 3.81Å; F554-F561 HydrophobicContact CD2-CG 4.07Å; F554-F561 HydrophobicContact CE1-CB 3.71Å; F554-F561 HydrophobicContact CE1-CG 4.26Å; F554-F561 HydrophobicContact CE2-CB 3.66Å; F554-F561 AromaticContact CE2-CD1 4Å; F554-F561 HydrophobicContact CE2-CD1 4Å; F554-F561 AromaticContact CE2-CD2 3.37Å; F554-F561 HydrophobicContact CE2-CD2 3.37Å; F554-F561 AromaticContact CE2-CE2 3.97Å; F554-F561 HydrophobicContact CE2-CE2 3.97Å; F554-F561 AromaticContact CE2-CG 3.41Å; F554-F561 HydrophobicContact CE2-CG 3.41Å; F554-F561 VanDerWaalsContact CE2-CG 3.41Å; F554-F561 HydrophobicContact CG-CB 4.19Å; F554-F561 HydrophobicContact CZ-CB 3.51Å; F554-F561 AromaticContact CZ-CD1 3.84Å; F554-F561 HydrophobicContact CZ-CD1 3.84Å; F554-F561 HydrophobicContact CZ-CD2 4.02Å; F554-F561 AromaticContact CZ-CG 3.53Å; F554-F561 HydrophobicContact CZ-CG 3.53Å; F554-F561 PolarHBondContact N-O 2.65Å; F554-F561 WeakPolarHBondContact O-CB 3.32Å; F554-F561 PolarHBondContact O-N 3.39Å; T556-F561 HydrophobicContact CG2-CE2 3.77Å; T556-F561 HydrophobicContact CG2-CZ 4.47Å; R559-F561 HydrophobicContact CB-CD2 4.25Å; R559-F561 HydrophobicContact CB-CE2 3.56Å; R559-F561 HydrophobicContact CB-CZ 3.96Å; F561-L787 HydrophobicContact CE1-CD1 4.12Å; F561-L787 HydrophobicContact CE1-CD2 4.44Å; F561-L787 HydrophobicContact CZ-CD1 4.03Å
562F96.8Very high94.1Very high0 Ų018.4 Ų18.40%09%0.09CC..EExtended strand (participates in β ladder)trans-100.9117.3168.2-59.4-106.6000108.2V514 K515 L517 T531 E534 R535 L538 L550 M564 F807V514-F562 CarbonylContact C-O 3.6Å; V514-F562 VanDerWaalsContact CA-O 3.27Å; V514-F562 WeakPolarHBondContact CA-O 3.49Å; K515-F562 HydrophobicContact CB-CB 4.29Å; K515-F562 HydrophobicContact CG-CD2 4.48Å; K515-F562 PolarHBondContact N-O 3.37Å; K515-F562 PolarHBondContact O-N 2.99Å; L517-F562 HydrophobicContact CD1-CE2 3.76Å; L517-F562 HydrophobicContact CG-CE2 4.2Å; T531-F562 HydrophobicContact CG2-CE2 4.23Å; T531-F562 HydrophobicContact CG2-CZ 3.87Å; E534-F562 HydrophobicContact CG-CE1 3.98Å; E534-F562 HydrophobicContact CG-CZ 4.27Å; R535-F562 HydrophobicContact CB-CE1 3.88Å; R535-F562 HydrophobicContact CG-CE1 4.33Å; L538-F562 HydrophobicContact CD1-CD1 3.56Å; L538-F562 HydrophobicContact CD1-CE1 3.99Å; L538-F562 HydrophobicContact CD1-CG 4.36Å; L550-F562 HydrophobicContact CD1-CB 3.92Å; L550-F562 HydrophobicContact CD1-CD1 4.09Å; F562-M564 HydrophobicContact CB-CG 4.35Å; F562-M564 HydrophobicContact CB-SD 4.48Å; F562-F807 HydrophobicContact CD1-CE2 4.46Å; F562-F807 HydrophobicContact CD1-CZ 4.24Å; F562-F807 HydrophobicContact CD2-CE2 4.43Å; F562-F807 AromaticContact CD2-CZ 3.93Å; F562-F807 HydrophobicContact CD2-CZ 3.93Å; F562-F807 AromaticContact CE1-CE2 3.86Å; F562-F807 HydrophobicContact CE1-CE2 3.86Å; F562-F807 HydrophobicContact CE1-CZ 4.07Å; F562-F807 AromaticContact CE2-CE2 3.8Å; F562-F807 HydrophobicContact CE2-CE2 3.8Å; F562-F807 AromaticContact CE2-CZ 3.73Å; F562-F807 HydrophobicContact CE2-CZ 3.73Å; F562-F807 HydrophobicContact CG-CZ 4.19Å; F562-F807 AromaticContact CZ-CE2 3.5Å; F562-F807 HydrophobicContact CZ-CE2 3.5Å; F562-F807 AromaticContact CZ-CZ 3.83Å; F562-F807 HydrophobicContact CZ-CZ 3.83Å
563V96.7Very high93.8Very high0 Ų020 Ų200%010%0.098CC..EExtended strand (participates in β ladder)trans-98110.6176.6-173.60000108.1F486 F512 V514 Y551 C552 F554F486-V563 HydrophobicContact CE1-CG1 3.89Å; F486-V563 HydrophobicContact CE1-CG2 4.38Å; F486-V563 HydrophobicContact CE2-CG2 4.19Å; F486-V563 HydrophobicContact CZ-CG1 3.97Å; F486-V563 HydrophobicContact CZ-CG2 3.82Å; F512-V563 HydrophobicContact CB-CG1 3.61Å; F512-V563 HydrophobicContact CD1-CG1 3.71Å; F512-V563 HydrophobicContact CD2-CG1 4.31Å; F512-V563 HydrophobicContact CE1-CG1 4.45Å; F512-V563 HydrophobicContact CG-CG1 3.62Å; V514-V563 HydrophobicContact CG1-CG2 4.36Å; V514-V563 HydrophobicContact CG2-CG1 4.31Å; V514-V563 HydrophobicContact CG2-CG2 4.28Å; Y551-V563 HydrophobicContact CD1-CG1 3.98Å; Y551-V563 PolarHBondContact N-O 2.67Å; C552-V563 PolarHBondContact N-O 2.99Å; C552-V563 WeakPolarHBondContact O-CB 3.48Å; C552-V563 PolarHBondContact O-N 2.83Å; F554-V563 HydrophobicContact CD1-CG2 4.11Å; F554-V563 HydrophobicContact CE1-CG2 3.66Å
564M95.3Very high93.2Very high20 Ų2021.7 Ų21.710%0.09911%0.106CC..EExtended strand (participates in β ladder)trans-118.6163.5-172.7-54.3171.9-63.600110.8F512 A513 K515 L538 A549 L550 F562F512-M564 CarbonylContact C-O 3.3Å; F512-M564 WeakPolarHBondContact CA-O 3.48Å; F512-M564 WeakPolarHBondContact CB-O 3.27Å; A513-M564 HydrophobicContact CB-CE 4.5Å; A513-M564 PolarHBondContact N-O 3.19Å; A513-M564 WeakPolarHBondContact O-CB 3.48Å; A513-M564 PolarHBondContact O-N 3.29Å; K515-M564 HydrophobicContact CB-CE 3.65Å; L538-M564 HydrophobicContact CD1-SD 4.01Å; L538-M564 HydrophobicContact CD2-CG 4.44Å; L538-M564 HydrophobicContact CD2-SD 3.91Å; A549-M564 WeakPolarHBondContact O-CA 3.39Å; L550-M564 HydrophobicContact CD1-CG 4.11Å; F562-M564 HydrophobicContact CB-CG 4.35Å; F562-M564 HydrophobicContact CB-SD 4.48Å
565E93.6Very high92.8Very high17 Ų1721.8 Ų21.88%0.07911%0.106CC..EExtended strand (participates in β ladder)trans-55.6144.1172.166.7-17910300112.5T548 A549 V567 K625 Y814T548-E565 WeakPolarHBondContact CA-OE1 3.44Å; A549-E565 PolarHBondContact N-OE1 2.83Å; A549-E565 PolarHBondContact O-N 3.13Å; A549-E565 VanDerWaalsContact O-N 3.17Å; E565-V567 HydrophobicContact CG-CG2 3.96Å; E565-V567 PolarHBondContact O-N 3.27Å; E565-K625 IonicContact OE1-NZ 2.65Å; E565-K625 PolarHBondContact OE1-NZ 3.43Å; E565-K625 WeakPolarHBondContact OE2-CE 3.37Å; E565-K625 IonicContact OE2-NZ 2.62Å; E565-K625 PolarHBondContact OE2-NZ 3.33Å; E565-Y814 HydrophobicContact CB-CE2 4.33Å
566Y95.3Very high92.3Very high17 Ų1720 Ų207%0.06710%0.098CC..  trans-92.999.3177.2179.6-128.9000112.6L492 L502 V511 A513 N568 R770 D772 F776L492-Y566 HydrophobicContact CD1-CD2 3.91Å; L492-Y566 HydrophobicContact CD1-CE2 3.65Å; L492-Y566 HydrophobicContact CD2-CE2 3.92Å; L492-Y566 HydrophobicContact CG-CE2 4.46Å; L502-Y566 HydrophobicContact CD1-CD1 3.52Å; L502-Y566 HydrophobicContact CD1-CD2 3.63Å; L502-Y566 HydrophobicContact CD1-CE1 3.52Å; L502-Y566 HydrophobicContact CD1-CE2 3.67Å; L502-Y566 HydrophobicContact CD1-CG 3.58Å; V511-Y566 HydrophobicContact CG1-CD1 3.6Å; V511-Y566 HydrophobicContact CG1-CE1 4.36Å; V511-Y566 HydrophobicContact CG1-CG 4.09Å; V511-Y566 WeakPolarHBondContact O-CB 3.5Å; A513-Y566 HydrophobicContact CB-CD2 4.39Å; Y566-N568 HydrophobicContact CD1-CB 4.07Å; Y566-N568 HydrophobicContact CE1-CB 3.52Å; Y566-N568 HydrophobicContact CE2-CB 4.35Å; Y566-R770 VanDerWaalsContact CD1-O 3.28Å; Y566-R770 WeakPolarHBondContact CD1-O 3.45Å; Y566-R770 VanDerWaalsContact CE1-O 3.28Å; Y566-R770 WeakPolarHBondContact CE1-O 3.24Å; Y566-D772 PolarHBondContact OH-O 3.2Å; Y566-F776 HydrophobicContact CE2-CE1 4.48Å; Y566-F776 AromaticContact CE2-CE2 3.91Å; Y566-F776 HydrophobicContact CE2-CE2 3.91Å; Y566-F776 AromaticContact CE2-CZ 3.57Å; Y566-F776 HydrophobicContact CE2-CZ 3.57Å; Y566-F776 AromaticContact CZ-CE2 3.92Å; Y566-F776 WeakPolarHBondContact OH-CE2 3.42Å
567V94.8Very high91.7Very high5 Ų524.4 Ų24.43%0.0312%0.116CC..  trans-88113.2177.1-173.10000110T548 E565 L617 L618 D619 K625 F776T548-V567 HydrophobicContact CG2-CG2 4.06Å; E565-V567 HydrophobicContact CG-CG2 3.96Å; E565-V567 PolarHBondContact O-N 3.27Å; V567-L617 HydrophobicContact CB-CB 4.04Å; V567-L617 HydrophobicContact CB-CD1 3.95Å; V567-L617 HydrophobicContact CG1-CB 3.56Å; V567-L617 HydrophobicContact CG1-CD1 4.41Å; V567-L617 HydrophobicContact CG2-CD1 4.41Å; V567-L618 VanDerWaalsContact CG1-C 3.41Å; V567-L618 WeakPolarHBondContact CG1-O 3.28Å; V567-D619 HydrophobicContact CG1-CB 4.21Å; V567-K625 HydrophobicContact CG1-CB 4.05Å; V567-K625 HydrophobicContact CG1-CG 4.19Å; V567-K625 HydrophobicContact CG2-CB 4.01Å; V567-K625 HydrophobicContact CG2-CD 4.4Å; V567-K625 HydrophobicContact CG2-CG 3.91Å; V567-F776 WeakPolarHBondContact O-CZ 3.41Å
568N92.2Very high91.3Very high19 Ų1925.9 Ų25.910%0.10212%0.116CC..  trans-112.45.5-159.160.415.2000116.9Y566 G570 A620 N775Y566-N568 HydrophobicContact CD1-CB 4.07Å; Y566-N568 HydrophobicContact CE1-CB 3.52Å; Y566-N568 HydrophobicContact CE2-CB 4.35Å; N568-G570 VanDerWaalsContact C-N 3.33Å; N568-A620 WeakPolarHBondContact OD1-CB 3.3Å; N568-N775 PolarHBondContact O-ND2 3.13Å; N568-N775 VanDerWaalsContact O-ND2 3.08Å
569G91.9Very high91Very high0 Ų026.7 Ų26.70%013%0.126CC..SBendtrans-83.7-2.7175.800000115.3Q575 L618 N775G569-Q575 PolarHBondContact O-NE2 2.91Å; G569-L618 WeakPolarHBondContact CA-O 3.47Å; G569-L618 PolarHBondContact N-O 2.79Å; G569-N775 VanDerWaalsContact C-CB 3.42Å; G569-N775 VanDerWaalsContact O-CB 3.31Å; G569-N775 WeakPolarHBondContact O-CB 3.27Å
570G90.4Very high90.5Very high0 Ų035.6 Ų35.60%016%0.16CC..  trans79.5170.6-173.300000112.8N568 L618 N775N568-G570 VanDerWaalsContact C-N 3.33Å; G570-L618 PolarHBondContact O-N 3.36Å; G570-N775 VanDerWaalsContact CA-O 3.31Å; G570-N775 WeakPolarHBondContact CA-O 3.46Å
571D92.4Very high90.3Very high33 Ų3340.5 Ų40.518%0.17618%0.178CC..BIsolated β-bridgetrans-78.2163.2175.956.688.6000113.3M573 F574 Q575 D614 I616 L617D571-M573 VanDerWaalsContact C-N 3.28Å; D571-M573 PolarHBondContact O-N 2.65Å; D571-M573 WeakPolarHBondContact OD1-CA 3.12Å; D571-M573 VanDerWaalsContact OD1-CB 3.32Å; D571-M573 WeakPolarHBondContact OD1-CB 3.49Å; D571-M573 PolarHBondContact OD1-N 2.66Å; D571-M573 VanDerWaalsContact OD1-N 3.13Å; D571-F574 WeakPolarHBondContact OD1-CB 3.28Å; D571-F574 PolarHBondContact OD1-N 2.67Å; D571-Q575 WeakPolarHBondContact O-CG 2.96Å; D571-Q575 PolarHBondContact O-N 2.69Å; D571-D614 WeakPolarHBondContact CB-O 3.48Å; D571-I616 CarbonylContact C-O 3.49Å; D571-I616 VanDerWaalsContact CA-O 3.32Å; D571-I616 WeakPolarHBondContact CA-O 3.45Å; D571-L617 HydrophobicContact CB-CD2 3.89Å
572L93.5Very high90.1Very high0 Ų040.8 Ų40.80%018%0.179CC..Hα-helixtrans-69.3-23178.1-74.2-173.8000113.4Q575 I576 F582 Y590 L613 I616 L618 M678L572-Q575 CarbonylContact O-C 3.6Å; L572-Q575 PolarHBondContact O-N 3.12Å; L572-I576 PolarHBondContact O-N 2.89Å; L572-F582 HydrophobicContact CD2-CE2 4.14Å; L572-F582 HydrophobicContact CD2-CZ 4.26Å; L572-Y590 HydrophobicContact CD1-CD2 4.04Å; L572-Y590 HydrophobicContact CD1-CG 4.22Å; L572-Y590 HydrophobicContact CD2-CD2 3.8Å; L572-Y590 HydrophobicContact CD2-CE1 4.47Å; L572-Y590 HydrophobicContact CD2-CE2 3.53Å; L572-Y590 HydrophobicContact CD2-CG 4.37Å; L572-L613 HydrophobicContact CB-CB 4.19Å; L572-L613 HydrophobicContact CB-CD2 3.82Å; L572-L613 HydrophobicContact CD1-CD2 4.2Å; L572-L613 PolarHBondContact N-O 3.26Å; L572-I616 HydrophobicContact CD1-CB 3.9Å; L572-I616 HydrophobicContact CD1-CD1 3.99Å; L572-I616 HydrophobicContact CD1-CG2 3.66Å; L572-I616 HydrophobicContact CG-CB 4.06Å; L572-I616 HydrophobicContact CG-CG2 3.92Å; L572-I616 PolarHBondContact N-O 3.33Å; L572-L618 HydrophobicContact CD2-CD1 3.92Å; L572-L618 HydrophobicContact CD2-CD2 3.85Å; L572-L618 HydrophobicContact CD2-CG 3.88Å; L572-M678 HydrophobicContact CD1-SD 4.46Å
573M89.7Confident90Very high33 Ų3345.5 Ų45.516%0.16321%0.205CC..Hα-helixtrans-67.2-49177.1174.856.676.200110.4D571 Q575 I576 Q577 L613 D614D571-M573 VanDerWaalsContact C-N 3.28Å; D571-M573 PolarHBondContact O-N 2.65Å; D571-M573 WeakPolarHBondContact OD1-CA 3.12Å; D571-M573 VanDerWaalsContact OD1-CB 3.32Å; D571-M573 WeakPolarHBondContact OD1-CB 3.49Å; D571-M573 PolarHBondContact OD1-N 2.66Å; D571-M573 VanDerWaalsContact OD1-N 3.13Å; M573-Q575 PolarHBondContact O-N 2.8Å; M573-I576 WeakPolarHBondContact O-CG2 3.35Å; M573-I576 PolarHBondContact O-N 2.81Å; M573-I576 HydrophobicContact SD-CG2 4.1Å; M573-Q577 WeakPolarHBondContact O-CB 3.38Å; M573-Q577 VanDerWaalsContact O-CG 3.27Å; M573-Q577 WeakPolarHBondContact O-CG 3.31Å; M573-Q577 PolarHBondContact O-N 2.94Å; M573-Q577 HydrophobicContact SD-CG 3.96Å; M573-Q577 PolarHBondContact SD-NE2 3.24Å; M573-L613 HydrophobicContact CB-CB 3.96Å; M573-L613 HydrophobicContact CE-CB 4.29Å; M573-L613 HydrophobicContact CE-CD1 4.19Å; M573-D614 HydrophobicContact CB-CB 4.48Å
574F85.5Confident89.9Confident37 Ų3746.8 Ų46.816%0.16221%0.211CC..Hα-helixtrans-56.3-38.2170.4-179.9-101.4000111.9D571 R578 N775D571-F574 WeakPolarHBondContact OD1-CB 3.28Å; D571-F574 PolarHBondContact OD1-N 2.67Å; F574-R578 WeakPolarHBondContact O-CD 3.29Å; F574-R578 WeakPolarHBondContact O-CG 3.12Å; F574-R578 PolarHBondContact O-N 2.87Å; F574-N775 WeakPolarHBondContact CD1-O 3.29Å; F574-N775 HydrophobicContact CE1-CB 4.12Å
575Q87.5Confident90Very high7 Ų748.3 Ų48.33%0.03323%0.226CC..Hα-helixtrans-74.1-34.7177.8-59.8-61.2-1500113.4G569 D571 L572 M573 A579 F582 L618 F763G569-Q575 PolarHBondContact O-NE2 2.91Å; D571-Q575 WeakPolarHBondContact O-CG 2.96Å; D571-Q575 PolarHBondContact O-N 2.69Å; L572-Q575 CarbonylContact O-C 3.6Å; L572-Q575 PolarHBondContact O-N 3.12Å; M573-Q575 PolarHBondContact O-N 2.8Å; Q575-A579 WeakPolarHBondContact O-CB 3.41Å; Q575-A579 PolarHBondContact O-N 3.4Å; Q575-F582 HydrophobicContact CB-CE1 4.36Å; Q575-F582 HydrophobicContact CB-CZ 4.07Å; Q575-L618 HydrophobicContact CG-CD1 4.04Å; Q575-F763 HydrophobicContact CG-CE1 4.31Å
576I84.4Confident90.1Very high9 Ų948.4 Ų48.45%0.04623%0.226CC..Hα-helixtrans-74.2-42.5177.8-153.3179.9000111.3L572 M573 R578 A579 R580 F582 L613 E677L572-I576 PolarHBondContact O-N 2.89Å; M573-I576 WeakPolarHBondContact O-CG2 3.35Å; M573-I576 PolarHBondContact O-N 2.81Å; M573-I576 HydrophobicContact SD-CG2 4.1Å; I576-R578 PolarHBondContact O-N 3.31Å; I576-R578 VanDerWaalsContact O-N 3.14Å; I576-A579 CarbonylContact O-C 3.56Å; I576-A579 PolarHBondContact O-N 2.66Å; I576-R580 WeakPolarHBondContact O-CA 3.36Å; I576-R580 PolarHBondContact O-N 3.49Å; I576-F582 HydrophobicContact CB-CE1 4.01Å; I576-F582 HydrophobicContact CB-CZ 3.9Å; I576-F582 HydrophobicContact CG1-CD1 4.35Å; I576-F582 HydrophobicContact CG1-CE1 4.06Å; I576-F582 HydrophobicContact CG1-CZ 4.22Å; I576-L613 HydrophobicContact CD1-CD1 4.22Å; I576-L613 HydrophobicContact CG2-CD1 3.89Å; I576-E677 HydrophobicContact CD1-CG 4.48Å; I576-E677 VanDerWaalsContact CD1-O 3.31Å; I576-E677 WeakPolarHBondContact CD1-O 3.4Å
577Q81.4Confident90.2Very high131 Ų13147.6 Ų47.661%0.61222%0.223SC*.Hα-helixtrans-54-38.5176.1-71.6172.89.700111.7M573M573-Q577 WeakPolarHBondContact O-CB 3.38Å; M573-Q577 VanDerWaalsContact O-CG 3.27Å; M573-Q577 WeakPolarHBondContact O-CG 3.31Å; M573-Q577 PolarHBondContact O-N 2.94Å; M573-Q577 HydrophobicContact SD-CG 3.96Å; M573-Q577 PolarHBondContact SD-NE2 3.24Å
578R80.6Confident90.4Very high171 Ų17148.5 Ų48.565%0.64523%0.225SC*.Hα-helixtrans-75.2-26.7177.3-64.9168.570.488.816.2114F574 I576F574-R578 WeakPolarHBondContact O-CD 3.29Å; F574-R578 WeakPolarHBondContact O-CG 3.12Å; F574-R578 PolarHBondContact O-N 2.87Å; I576-R578 PolarHBondContact O-N 3.31Å; I576-R578 VanDerWaalsContact O-N 3.14Å
579A84.7Confident90.7Very high44 Ų4448.1 Ų48.136%0.36422%0.223SC..Hα-helixtrans-97.1-14.9-179.200000113.6Q575 I576 R581 F582Q575-A579 WeakPolarHBondContact O-CB 3.41Å; Q575-A579 PolarHBondContact O-N 3.4Å; I576-A579 CarbonylContact O-C 3.56Å; I576-A579 PolarHBondContact O-N 2.66Å; A579-R581 WeakPolarHBondContact CB-O 3.16Å; A579-R581 PolarHBondContact O-N 2.88Å; A579-F582 HydrophobicContact CB-CD1 4.01Å; A579-F582 HydrophobicContact CB-CE1 4.01Å
580R81.8Confident91Very high205 Ų20548.2 Ų48.277%0.77422%0.223SC*.SBendtrans63.6-39.6-162.7-57.5179.2172.7-123.5-9.7114.5I576 G681I576-R580 WeakPolarHBondContact O-CA 3.36Å; I576-R580 PolarHBondContact O-N 3.49Å; R580-G681 VanDerWaalsContact O-CA 3.25Å; R580-G681 WeakPolarHBondContact O-CA 3.41Å
581R90.6Very high91.4Very high102 Ų10248.2 Ų48.239%0.38522%0.223SC..SBendtrans-159.2168.3168.267.7-173.3-1701755109.9A579 M679 N707A579-R581 WeakPolarHBondContact CB-O 3.16Å; A579-R581 PolarHBondContact O-N 2.88Å; R581-M679 WeakPolarHBondContact CD-O 3.25Å; R581-N707 PolarHBondContact NH1-ND2 2.91Å; R581-N707 PolarHBondContact NH1-OD1 2.94Å; R581-N707 PolarHBondContact NH2-ND2 3.06Å; R581-N707 VanDerWaalsContact NH2-ND2 3.19Å; R581-N707 PolarHBondContact NH2-OD1 2.88Å
582F93Very high91.7Very high7 Ų746.6 Ų46.63%0.03122%0.215CC..  trans-95.7157.6169.3-56.8-23.4000110.7L572 Q575 I576 A579 R586 Y590 M678L572-F582 HydrophobicContact CD2-CE2 4.14Å; L572-F582 HydrophobicContact CD2-CZ 4.26Å; Q575-F582 HydrophobicContact CB-CE1 4.36Å; Q575-F582 HydrophobicContact CB-CZ 4.07Å; I576-F582 HydrophobicContact CB-CE1 4.01Å; I576-F582 HydrophobicContact CB-CZ 3.9Å; I576-F582 HydrophobicContact CG1-CD1 4.35Å; I576-F582 HydrophobicContact CG1-CE1 4.06Å; I576-F582 HydrophobicContact CG1-CZ 4.22Å; A579-F582 HydrophobicContact CB-CD1 4.01Å; A579-F582 HydrophobicContact CB-CE1 4.01Å; F582-R586 HydrophobicContact CB-CB 4.14Å; F582-R586 HydrophobicContact CB-CG 4.05Å; F582-R586 VanDerWaalsContact CD1-NH1 3.34Å; F582-R586 HydrophobicContact CD2-CG 4.19Å; F582-R586 VanDerWaalsContact CE1-CZ 3.47Å; F582-R586 HydrophobicContact CG-CG 4.03Å; F582-Y590 HydrophobicContact CD2-CD2 4Å; F582-Y590 HydrophobicContact CD2-CE2 4.04Å; F582-Y590 AromaticContact CE2-CD2 3.85Å; F582-Y590 HydrophobicContact CE2-CD2 3.85Å; F582-Y590 AromaticContact CE2-CE2 3.73Å; F582-Y590 HydrophobicContact CE2-CE2 3.73Å; F582-Y590 HydrophobicContact CZ-CE2 4.3Å; F582-M678 HydrophobicContact CD2-CB 4.03Å; F582-M678 HydrophobicContact CD2-CG 3.75Å; F582-M678 HydrophobicContact CD2-SD 3.72Å; F582-M678 HydrophobicContact CE2-CG 3.98Å; F582-M678 HydrophobicContact CE2-SD 3.93Å; F582-M678 PolarHBondContact N-O 2.97Å
583D94.7Very high91.9Very high99 Ų9946.6 Ų46.653%0.52922%0.215SC..  trans-74.2163.216360.678.8000110.8A585 R586 A587D583-A585 VanDerWaalsContact C-N 3.26Å; D583-A585 PolarHBondContact O-N 3.1Å; D583-A585 WeakPolarHBondContact OD1-CB 3.41Å; D583-A585 PolarHBondContact OD1-N 3.11Å; D583-R586 PolarHBondContact O-N 2.84Å; D583-R586 PolarHBondContact OD1-N 3.2Å; D583-A587 WeakPolarHBondContact O-CB 3.31Å; D583-A587 PolarHBondContact O-N 2.86Å
584E95.6Very high92.4Very high27 Ų2745.2 Ų45.213%0.12621%0.208CC..Hα-helixtrans-63.4-28.5-177-64.1-172.1-172.400113.8R588 M679 N709 F745E584-R588 WeakPolarHBondContact O-CB 3.17Å; E584-R588 PolarHBondContact O-N 3.45Å; E584-R588 IonicContact OE2-NH2 2.68Å; E584-M679 HydrophobicContact CB-SD 4.36Å; E584-M679 HydrophobicContact CG-SD 3.92Å; E584-N709 WeakPolarHBondContact OE1-CB 3.2Å; E584-N709 PolarHBondContact OE1-N 3.07Å; E584-N709 PolarHBondContact OE1-ND2 3.06Å; E584-N709 PolarHBondContact OE2-ND2 3.39Å; E584-F745 HydrophobicContact CB-CE2 4.46Å
585A96.7Very high93Very high51 Ų5143.4 Ų43.442%0.42120%0.2SC..Hα-helixtrans-72.6-39.917900000110.6D583 F589D583-A585 VanDerWaalsContact C-N 3.26Å; D583-A585 PolarHBondContact O-N 3.1Å; D583-A585 WeakPolarHBondContact OD1-CB 3.41Å; D583-A585 PolarHBondContact OD1-N 3.11Å; A585-F589 WeakPolarHBondContact O-CB 3.47Å; A585-F589 PolarHBondContact O-N 3.13Å
586R96.7Very high93.5Very high20 Ų2043.6 Ų43.68%0.07520%0.201CC..Hα-helixtrans-66.8-42.7172-178.1170.3-171-154.1-6.4112.4F582 D583 F589 Y590 P762F582-R586 HydrophobicContact CB-CB 4.14Å; F582-R586 HydrophobicContact CB-CG 4.05Å; F582-R586 VanDerWaalsContact CD1-NH1 3.34Å; F582-R586 HydrophobicContact CD2-CG 4.19Å; F582-R586 VanDerWaalsContact CE1-CZ 3.47Å; F582-R586 HydrophobicContact CG-CG 4.03Å; D583-R586 PolarHBondContact O-N 2.84Å; D583-R586 PolarHBondContact OD1-N 3.2Å; R586-F589 PolarHBondContact O-N 3.35Å; R586-Y590 HydrophobicContact CG-CD2 4.03Å; R586-Y590 HydrophobicContact CG-CE2 3.53Å; R586-Y590 PolarHBondContact NE-OH 3.12Å; R586-Y590 VanDerWaalsContact NE-OH 3.08Å; R586-Y590 PolarHBondContact NH2-OH 2.81Å; R586-Y590 WeakPolarHBondContact O-CD2 3.1Å; R586-Y590 PolarHBondContact O-N 2.88Å; R586-P762 HydrophobicContact CB-CB 4.36Å; R586-P762 HydrophobicContact CB-CG 4.11Å; R586-P762 HydrophobicContact CG-CG 4.02Å
587A97.5Very high94.2Very high0 Ų043.2 Ų43.20%020%0.2CC..Hα-helixtrans-63.9-43.1175.200000112.2D583 A591 M678 M679D583-A587 WeakPolarHBondContact O-CB 3.31Å; D583-A587 PolarHBondContact O-N 2.86Å; A587-A591 WeakPolarHBondContact O-CB 3.1Å; A587-A591 PolarHBondContact O-N 3.07Å; A587-M678 HydrophobicContact CB-CB 4.02Å; A587-M678 HydrophobicContact CB-CE 4.03Å; A587-M678 HydrophobicContact CB-SD 4.43Å; A587-M678 WeakPolarHBondContact O-CE 3.26Å; A587-M679 HydrophobicContact CB-CG 3.41Å; A587-M679 VanDerWaalsContact CB-CG 3.41Å; A587-M679 HydrophobicContact CB-SD 3.97Å
588R98.2Very high95Very high24 Ų2437 Ų379%0.09117%0.17CC..Hα-helixtrans-58.2-46.2174.5177.7-173.2-61.2120.425.3112.2E584 A592 F745 F746 E748 I749E584-R588 WeakPolarHBondContact O-CB 3.17Å; E584-R588 PolarHBondContact O-N 3.45Å; E584-R588 IonicContact OE2-NH2 2.68Å; R588-A592 WeakPolarHBondContact O-CB 3.47Å; R588-A592 PolarHBondContact O-N 3Å; R588-F745 HydrophobicContact CB-CE1 3.77Å; R588-F745 HydrophobicContact CB-CZ 3.86Å; R588-F745 WeakPolarHBondContact CD-O 3.45Å; R588-F745 HydrophobicContact CG-CE1 4.11Å; R588-F745 PolarHBondContact NE-O 3.45Å; R588-F746 HydrophobicContact CG-CD1 3.82Å; R588-F746 HydrophobicContact CG-CE1 4.15Å; R588-E748 IonicContact CZ-OE2 3.3Å; R588-E748 IonicContact NE-OE2 3.37Å; R588-E748 IonicContact NH1-OE1 2.71Å; R588-E748 IonicContact NH1-OE2 2.63Å; R588-E748 PolarHBondContact NH1-OE2 3.43Å; R588-I749 HydrophobicContact CG-CD1 4.17Å; R588-I749 HydrophobicContact CG-CG1 4.13Å
589F98.4Very high95.8Very high11 Ų1130.6 Ų30.65%0.04815%0.148CC..Hα-helixtrans-60.6-55179-179.2-90.2000111.6A585 R586 A591 A592 E593 H623 L754 V759 P761 P762A585-F589 WeakPolarHBondContact O-CB 3.47Å; A585-F589 PolarHBondContact O-N 3.13Å; R586-F589 PolarHBondContact O-N 3.35Å; F589-A591 PolarHBondContact O-N 2.72Å; F589-A592 PolarHBondContact O-N 2.76Å; F589-E593 VanDerWaalsContact CE1-CD 3.4Å; F589-E593 HydrophobicContact CE1-CG 4.3Å; F589-E593 WeakPolarHBondContact CE1-OE1 3.36Å; F589-E593 VanDerWaalsContact CE1-OE2 3.31Å; F589-E593 WeakPolarHBondContact CE1-OE2 3.47Å; F589-E593 HydrophobicContact CZ-CG 4.43Å; F589-E593 WeakPolarHBondContact CZ-OE1 3.29Å; F589-E593 PolarHBondContact O-N 2.95Å; F589-H623 AromaticContact CZ-ND1 3.89Å; F589-L754 HydrophobicContact CD2-CD1 4.25Å; F589-L754 HydrophobicContact CE2-CD1 3.69Å; F589-L754 HydrophobicContact CZ-CD1 4.18Å; F589-V759 HydrophobicContact CD2-CG1 4.1Å; F589-V759 HydrophobicContact CE2-CB 4.09Å; F589-V759 HydrophobicContact CE2-CG1 3.71Å; F589-P761 HydrophobicContact CE1-CB 3.99Å; F589-P761 HydrophobicContact CE1-CG 4.22Å; F589-P761 HydrophobicContact CZ-CB 4Å; F589-P761 HydrophobicContact CZ-CG 3.89Å; F589-P762 HydrophobicContact CB-CG 3.93Å; F589-P762 HydrophobicContact CD1-CG 3.97Å; F589-P762 VanDerWaalsContact CG-CD 3.45Å; F589-P762 HydrophobicContact CG-CG 3.93Å
590Y98.4Very high96.4Very high1 Ų130 Ų300%0.00414%0.137CC..Hα-helixtrans-64.3-39.3-179.7-63.2-36000112.7L572 F582 R586 A592 E593 V594 L618 C624 M678L572-Y590 HydrophobicContact CD1-CD2 4.04Å; L572-Y590 HydrophobicContact CD1-CG 4.22Å; L572-Y590 HydrophobicContact CD2-CD2 3.8Å; L572-Y590 HydrophobicContact CD2-CE1 4.47Å; L572-Y590 HydrophobicContact CD2-CE2 3.53Å; L572-Y590 HydrophobicContact CD2-CG 4.37Å; F582-Y590 HydrophobicContact CD2-CD2 4Å; F582-Y590 HydrophobicContact CD2-CE2 4.04Å; F582-Y590 AromaticContact CE2-CD2 3.85Å; F582-Y590 HydrophobicContact CE2-CD2 3.85Å; F582-Y590 AromaticContact CE2-CE2 3.73Å; F582-Y590 HydrophobicContact CE2-CE2 3.73Å; F582-Y590 HydrophobicContact CZ-CE2 4.3Å; R586-Y590 HydrophobicContact CG-CD2 4.03Å; R586-Y590 HydrophobicContact CG-CE2 3.53Å; R586-Y590 PolarHBondContact NE-OH 3.12Å; R586-Y590 VanDerWaalsContact NE-OH 3.08Å; R586-Y590 PolarHBondContact NH2-OH 2.81Å; R586-Y590 WeakPolarHBondContact O-CD2 3.1Å; R586-Y590 PolarHBondContact O-N 2.88Å; Y590-A592 VanDerWaalsContact C-N 3.31Å; Y590-A592 PolarHBondContact O-N 3.35Å; Y590-E593 PolarHBondContact O-N 3.45Å; Y590-V594 VanDerWaalsContact O-CG2 3.29Å; Y590-V594 WeakPolarHBondContact O-CG2 3.46Å; Y590-V594 PolarHBondContact O-N 2.73Å; Y590-L618 HydrophobicContact CD1-CD2 4.27Å; Y590-L618 HydrophobicContact CE1-CD1 4.45Å; Y590-L618 HydrophobicContact CE1-CD2 3.67Å; Y590-L618 WeakPolarHBondContact OH-CD1 3.36Å; Y590-C624 WeakPolarHBondContact CD1-SG 3.12Å; Y590-M678 HydrophobicContact CD2-SD 4.08Å
591A98.6Very high97.2Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-61.5-38.8175.700000112A587 F589 V594 I595 L671 M675 M678 F746A587-A591 WeakPolarHBondContact O-CB 3.1Å; A587-A591 PolarHBondContact O-N 3.07Å; F589-A591 PolarHBondContact O-N 2.72Å; A591-V594 PolarHBondContact O-N 2.74Å; A591-I595 WeakPolarHBondContact O-CB 3.4Å; A591-I595 VanDerWaalsContact O-CD1 3.31Å; A591-I595 WeakPolarHBondContact O-CD1 3.31Å; A591-I595 WeakPolarHBondContact O-CG1 3.42Å; A591-I595 PolarHBondContact O-N 3.14Å; A591-L671 HydrophobicContact CB-CD1 4.47Å; A591-M675 HydrophobicContact CB-CE 4.37Å; A591-M675 HydrophobicContact CB-CG 3.8Å; A591-M675 HydrophobicContact CB-SD 3.82Å; A591-M678 HydrophobicContact CB-CE 4.3Å; A591-F746 HydrophobicContact CB-CE1 4.12Å; A591-F746 HydrophobicContact CB-CZ 4.04Å
592A98.7Very high97.5Very high0 Ų015.6 Ų15.60%08%0.083CC..Hα-helixtrans-67-40.2177.800000112.9R588 F589 Y590 V594 I595 L596 F746 I749 W751 L754R588-A592 WeakPolarHBondContact O-CB 3.47Å; R588-A592 PolarHBondContact O-N 3Å; F589-A592 PolarHBondContact O-N 2.76Å; Y590-A592 VanDerWaalsContact C-N 3.31Å; Y590-A592 PolarHBondContact O-N 3.35Å; A592-V594 VanDerWaalsContact C-N 3.35Å; A592-I595 PolarHBondContact O-N 2.97Å; A592-L596 PolarHBondContact O-N 3.23Å; A592-L596 VanDerWaalsContact O-N 3.15Å; A592-F746 HydrophobicContact CB-CD1 4.3Å; A592-F746 HydrophobicContact CB-CE1 4.16Å; A592-I749 HydrophobicContact CB-CD1 4.44Å; A592-I749 HydrophobicContact CB-CG1 4.2Å; A592-I749 HydrophobicContact CB-CG2 4.16Å; A592-W751 HydrophobicContact CB-CH2 3.79Å; A592-W751 HydrophobicContact CB-CZ3 3.72Å; A592-W751 WeakPolarHBondContact O-CZ3 3.44Å; A592-L754 HydrophobicContact CB-CD2 3.45Å; A592-L754 VanDerWaalsContact CB-CD2 3.45Å
593E98.6Very high97.6Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-65.7-37.7174.3-63.2-171.3144.100112F546 F589 Y590 L596 A597 H623 C624 L754F546-E593 HydrophobicContact CD1-CB 4.16Å; F546-E593 HydrophobicContact CD1-CG 4.28Å; F546-E593 HydrophobicContact CD2-CB 3.96Å; F546-E593 HydrophobicContact CD2-CG 4.34Å; F546-E593 HydrophobicContact CE1-CB 4.25Å; F546-E593 VanDerWaalsContact CE1-CD 3.47Å; F546-E593 HydrophobicContact CE1-CG 3.86Å; F546-E593 WeakPolarHBondContact CE1-OE1 3.32Å; F546-E593 HydrophobicContact CE2-CB 4.06Å; F546-E593 HydrophobicContact CE2-CG 3.94Å; F546-E593 HydrophobicContact CG-CB 4.01Å; F546-E593 HydrophobicContact CG-CG 4.5Å; F546-E593 HydrophobicContact CZ-CB 4.19Å; F546-E593 HydrophobicContact CZ-CG 3.67Å; F546-E593 WeakPolarHBondContact CZ-OE1 2.94Å; F589-E593 VanDerWaalsContact CE1-CD 3.4Å; F589-E593 HydrophobicContact CE1-CG 4.3Å; F589-E593 WeakPolarHBondContact CE1-OE1 3.36Å; F589-E593 VanDerWaalsContact CE1-OE2 3.31Å; F589-E593 WeakPolarHBondContact CE1-OE2 3.47Å; F589-E593 HydrophobicContact CZ-CG 4.43Å; F589-E593 WeakPolarHBondContact CZ-OE1 3.29Å; F589-E593 PolarHBondContact O-N 2.95Å; Y590-E593 PolarHBondContact O-N 3.45Å; E593-L596 PolarHBondContact O-N 3.19Å; E593-A597 PolarHBondContact O-N 3.29Å; E593-A597 VanDerWaalsContact O-N 3.14Å; E593-H623 IonicContact OE1-CE1 2.83Å; E593-H623 IonicContact OE1-CG 2.67Å; E593-H623 IonicContact OE1-ND1 2.66Å; E593-H623 PolarHBondContact OE1-ND1 2.87Å; E593-C624 HydrophobicContact CB-CB 3.91Å; E593-C624 WeakPolarHBondContact OE2-CB 3.37Å; E593-C624 PolarHBondContact OE2-N 3.34Å; E593-L754 HydrophobicContact CG-CD1 3.85Å; E593-L754 HydrophobicContact CG-CD2 4.09Å; E593-L754 HydrophobicContact CG-CG 4.11Å
594V98.6Very high97.7Very high3 Ų319.8 Ų19.82%0.01810%0.103CC..Hα-helixtrans-67.5-38.5173.5173.10000111.9Y590 A591 A592 L596 A597 L598 L611 I616 L671Y590-V594 VanDerWaalsContact O-CG2 3.29Å; Y590-V594 WeakPolarHBondContact O-CG2 3.46Å; Y590-V594 PolarHBondContact O-N 2.73Å; A591-V594 PolarHBondContact O-N 2.74Å; A592-V594 VanDerWaalsContact C-N 3.35Å; V594-L596 VanDerWaalsContact C-N 3.34Å; V594-L596 PolarHBondContact O-N 3.25Å; V594-A597 WeakPolarHBondContact O-CB 3.47Å; V594-A597 PolarHBondContact O-N 2.92Å; V594-L598 HydrophobicContact CG1-CD1 3.99Å; V594-L598 HydrophobicContact CG1-CG 4.26Å; V594-L598 WeakPolarHBondContact O-CG 3.35Å; V594-L598 PolarHBondContact O-N 3.47Å; V594-L611 HydrophobicContact CG1-CD1 3.98Å; V594-L611 HydrophobicContact CG1-CD2 4.1Å; V594-I616 HydrophobicContact CG2-CD1 3.63Å; V594-I616 HydrophobicContact CG2-CG1 4.3Å; V594-L671 HydrophobicContact CB-CD1 4.45Å; V594-L671 HydrophobicContact CG1-CD1 3.96Å
595I98.7Very high97.8Very high0 Ų021.4 Ų21.40%011%0.111CC..Hα-helixtrans-60.5-44175.8-75.3157.2000110.9A591 A592 L598 M599 W668 L671 I740 Q741 F746 W751A591-I595 WeakPolarHBondContact O-CB 3.4Å; A591-I595 VanDerWaalsContact O-CD1 3.31Å; A591-I595 WeakPolarHBondContact O-CD1 3.31Å; A591-I595 WeakPolarHBondContact O-CG1 3.42Å; A591-I595 PolarHBondContact O-N 3.14Å; A592-I595 PolarHBondContact O-N 2.97Å; I595-L598 PolarHBondContact O-N 2.73Å; I595-M599 HydrophobicContact CG2-CG 4.37Å; I595-M599 HydrophobicContact CG2-SD 3.78Å; I595-M599 WeakPolarHBondContact O-CB 3.32Å; I595-M599 VanDerWaalsContact O-CG 3.29Å; I595-M599 WeakPolarHBondContact O-CG 3.2Å; I595-M599 PolarHBondContact O-N 3.19Å; I595-W668 HydrophobicContact CG1-CZ3 4.07Å; I595-W668 HydrophobicContact CG2-CH2 4.43Å; I595-L671 HydrophobicContact CD1-CD2 4.01Å; I595-L671 HydrophobicContact CG1-CD2 3.49Å; I595-L671 VanDerWaalsContact CG1-CD2 3.49Å; I595-I740 HydrophobicContact CD1-CG2 3.5Å; I595-I740 HydrophobicContact CG1-CG2 4.02Å; I595-I740 HydrophobicContact CG2-CG2 4.23Å; I595-Q741 HydrophobicContact CG2-CG 4.48Å; I595-F746 HydrophobicContact CD1-CD2 4.43Å; I595-F746 HydrophobicContact CD1-CE1 4.12Å; I595-F746 HydrophobicContact CD1-CE2 3.47Å; I595-F746 VanDerWaalsContact CD1-CE2 3.47Å; I595-F746 HydrophobicContact CD1-CZ 3.3Å; I595-W751 HydrophobicContact CB-CH2 4.27Å; I595-W751 HydrophobicContact CB-CZ3 4Å; I595-W751 HydrophobicContact CD1-CH2 3.97Å; I595-W751 HydrophobicContact CG2-CH2 4Å; I595-W751 HydrophobicContact CG2-CZ3 3.74Å
596L98.3Very high97.8Very high11 Ų1119.3 Ų19.36%0.0589%0.092CC..Hα-helixtrans-61.4-45.4175.4-70.7167000111.2F546 A592 E593 V594 L598 M599 F600 W751 L754 E755F546-L596 HydrophobicContact CD2-CB 4.21Å; F546-L596 HydrophobicContact CD2-CD1 4.35Å; F546-L596 HydrophobicContact CE2-CB 4.49Å; F546-L596 HydrophobicContact CE2-CD1 3.8Å; A592-L596 PolarHBondContact O-N 3.23Å; A592-L596 VanDerWaalsContact O-N 3.15Å; E593-L596 PolarHBondContact O-N 3.19Å; V594-L596 VanDerWaalsContact C-N 3.34Å; V594-L596 PolarHBondContact O-N 3.25Å; L596-L598 PolarHBondContact O-N 2.58Å; L596-M599 PolarHBondContact O-N 2.81Å; L596-F600 WeakPolarHBondContact O-CB 3.45Å; L596-F600 PolarHBondContact O-N 3.27Å; L596-W751 HydrophobicContact CD1-CE3 4.28Å; L596-W751 HydrophobicContact CD2-CE3 4.05Å; L596-W751 HydrophobicContact CG-CE3 3.97Å; L596-W751 HydrophobicContact CG-CZ3 4.32Å; L596-L754 HydrophobicContact CD1-CB 4.36Å; L596-L754 HydrophobicContact CD1-CD2 3.96Å; L596-L754 HydrophobicContact CD1-CG 4.09Å; L596-E755 HydrophobicContact CD1-CB 4.05Å
597A98.3Very high97.9Very high1 Ų118.3 Ų18.31%0.0089%0.089CC..Hα-helixtrans-59-44.1175.900000113.4H544 F546 L547 E593 V594 L601 L626H544-A597 WeakPolarHBondContact CE1-CA 3.36Å; H544-A597 PolarHBondContact CE1-N 3.28Å; H544-A597 VanDerWaalsContact CE1-N 3.35Å; F546-A597 HydrophobicContact CB-CB 4.36Å; L547-A597 HydrophobicContact CD2-CB 3.7Å; E593-A597 PolarHBondContact O-N 3.29Å; E593-A597 VanDerWaalsContact O-N 3.14Å; V594-A597 WeakPolarHBondContact O-CB 3.47Å; V594-A597 PolarHBondContact O-N 2.92Å; A597-L601 WeakPolarHBondContact O-CG 3.13Å; A597-L601 PolarHBondContact O-N 3.25Å; A597-L626 HydrophobicContact CB-CD2 4.43Å
598L98.4Very high97.9Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-67.7-46.7177-69.4173.5000111.8V594 I595 L596 F600 L601 H602 L611 D667 W668V594-L598 HydrophobicContact CG1-CD1 3.99Å; V594-L598 HydrophobicContact CG1-CG 4.26Å; V594-L598 WeakPolarHBondContact O-CG 3.35Å; V594-L598 PolarHBondContact O-N 3.47Å; I595-L598 PolarHBondContact O-N 2.73Å; L596-L598 PolarHBondContact O-N 2.58Å; L598-F600 VanDerWaalsContact C-N 3.28Å; L598-F600 PolarHBondContact O-N 3.44Å; L598-L601 PolarHBondContact O-N 2.99Å; L598-H602 PolarHBondContact O-CD2 2.9Å; L598-H602 PolarHBondContact O-N 3.47Å; L598-L611 HydrophobicContact CD1-CD2 4.05Å; L598-D667 HydrophobicContact CD1-CB 4.4Å; L598-D667 HydrophobicContact CD2-CB 4.03Å; L598-W668 HydrophobicContact CB-CH2 3.73Å; L598-W668 HydrophobicContact CB-CZ2 4.39Å; L598-W668 HydrophobicContact CB-CZ3 4.08Å; L598-W668 HydrophobicContact CD1-CE3 4.07Å; L598-W668 HydrophobicContact CD1-CH2 4.16Å; L598-W668 HydrophobicContact CD1-CZ3 3.63Å
599M97.5Very high97.8Very high36 Ų3618.4 Ų18.418%0.1779%0.089CC..Hα-helixtrans-60.7-37178.1-71.4178.870.800112.1I595 L596 N603 W668 E737 L738 Q741I595-M599 HydrophobicContact CG2-CG 4.37Å; I595-M599 HydrophobicContact CG2-SD 3.78Å; I595-M599 WeakPolarHBondContact O-CB 3.32Å; I595-M599 VanDerWaalsContact O-CG 3.29Å; I595-M599 WeakPolarHBondContact O-CG 3.2Å; I595-M599 PolarHBondContact O-N 3.19Å; L596-M599 PolarHBondContact O-N 2.81Å; M599-N603 WeakPolarHBondContact O-CB 3.17Å; M599-N603 PolarHBondContact O-N 2.95Å; M599-W668 HydrophobicContact CG-CH2 3.9Å; M599-W668 HydrophobicContact CG-CZ2 4.08Å; M599-E737 HydrophobicContact CE-CB 4.22Å; M599-L738 HydrophobicContact CE-CD2 4.17Å; M599-Q741 HydrophobicContact SD-CG 4.17Å; M599-Q741 PolarHBondContact SD-NE2 3.13Å
600F97.7Very high97.6Very high31 Ų3118.1 Ų18.114%0.1369%0.088CC..Hα-helixtrans-60.1-46.8171.6176-85.6000111.9L540 H543 H544 L547 L596 L598 H604L540-F600 HydrophobicContact CD1-CZ 4.32Å; L540-F600 HydrophobicContact CD2-CE1 4.35Å; L540-F600 HydrophobicContact CG-CE1 4.05Å; L540-F600 HydrophobicContact CG-CZ 4.15Å; H543-F600 HydrophobicContact CB-CE2 4.21Å; H543-F600 HydrophobicContact CB-CZ 4.1Å; H544-F600 HydrophobicContact CB-CD1 4.06Å; H544-F600 HydrophobicContact CB-CD2 3.83Å; H544-F600 HydrophobicContact CB-CE1 4.14Å; H544-F600 HydrophobicContact CB-CE2 3.91Å; H544-F600 HydrophobicContact CB-CG 3.91Å; H544-F600 HydrophobicContact CB-CZ 4.07Å; H544-F600 AromaticContact CD2-CD2 3.81Å; H544-F600 AromaticContact CD2-CG 3.88Å; H544-F600 AromaticContact CG-CG 3.91Å; L547-F600 HydrophobicContact CD1-CD1 3.62Å; L547-F600 HydrophobicContact CD1-CE1 3.78Å; L596-F600 WeakPolarHBondContact O-CB 3.45Å; L596-F600 PolarHBondContact O-N 3.27Å; L598-F600 VanDerWaalsContact C-N 3.28Å; L598-F600 PolarHBondContact O-N 3.44Å; F600-H604 AromaticContact CD1-ND1 3.92Å; F600-H604 AromaticContact CD2-CE1 3.89Å; F600-H604 AromaticContact CE1-CE1 3.97Å; F600-H604 AromaticContact CE1-ND1 3.75Å; F600-H604 AromaticContact CE2-CE1 3.45Å; F600-H604 VanDerWaalsContact CE2-CE1 3.45Å; F600-H604 WeakPolarHBondContact CE2-CE1 3.17Å; F600-H604 AromaticContact CE2-ND1 3.95Å; F600-H604 AromaticContact CZ-CE1 3.48Å; F600-H604 VanDerWaalsContact CZ-CE1 3.48Å; F600-H604 WeakPolarHBondContact CZ-CE1 3.41Å; F600-H604 AromaticContact CZ-ND1 3.76Å; F600-H604 PolarHBondContact O-N 3.42Å; F600-H604 PolarHBondContact O-ND1 2.89Å
601L97.8Very high97.6Very high1 Ų118.1 Ų18.11%0.0059%0.088CC..Hα-helixtrans-65.9-45.3178.5-68.1172.2000112I537 L547 A597 L598 N603 H604 H605 I606 Y608 L626 F629I537-L601 HydrophobicContact CG2-CD2 4.13Å; L547-L601 HydrophobicContact CD1-CD2 4.02Å; L547-L601 HydrophobicContact CD1-CG 4.32Å; L547-L601 HydrophobicContact CD2-CD1 4.36Å; A597-L601 WeakPolarHBondContact O-CG 3.13Å; A597-L601 PolarHBondContact O-N 3.25Å; L598-L601 PolarHBondContact O-N 2.99Å; L601-N603 VanDerWaalsContact C-N 3.34Å; L601-N603 PolarHBondContact O-N 3.37Å; L601-H604 CarbonylContact O-C 3.55Å; L601-H604 WeakPolarHBondContact O-CA 3.25Å; L601-H604 PolarHBondContact O-N 3.17Å; L601-H605 PolarHBondContact O-N 3.29Å; L601-H605 VanDerWaalsContact O-N 3.17Å; L601-I606 CarbonylContact C-O 3.58Å; L601-I606 VanDerWaalsContact C-O 3.3Å; L601-I606 HydrophobicContact CB-CB 4.19Å; L601-I606 HydrophobicContact CB-CG2 4.35Å; L601-I606 HydrophobicContact CD2-CB 4.39Å; L601-I606 HydrophobicContact CD2-CD1 4.14Å; L601-I606 HydrophobicContact CD2-CG2 4.17Å; L601-I606 WeakPolarHBondContact O-CB 3.33Å; L601-I606 PolarHBondContact O-N 2.9Å; L601-Y608 HydrophobicContact CD1-CD2 4.1Å; L601-Y608 HydrophobicContact CD1-CG 4.47Å; L601-L626 HydrophobicContact CD1-CD2 4.34Å; L601-F629 HydrophobicContact CD1-CE1 4.27Å
602H97Very high97.4Very high4 Ų418.9 Ų18.92%0.0199%0.092CC..Hα-helixtrans-63.5-39.3-179.5-62.8-177.2000111.6L598 H604 H605 I606 F664 D667 W668 E737L598-H602 PolarHBondContact O-CD2 2.9Å; L598-H602 PolarHBondContact O-N 3.47Å; H602-H604 VanDerWaalsContact C-N 3.28Å; H602-H604 PolarHBondContact O-N 3.3Å; H602-H605 WeakPolarHBondContact O-CA 3.49Å; H602-H605 PolarHBondContact O-N 2.73Å; H602-I606 PolarHBondContact CD2-O 3.3Å; H602-I606 PolarHBondContact N-O 2.99Å; H602-F664 HydrophobicContact CB-CD1 4.04Å; H602-F664 HydrophobicContact CB-CD2 4.25Å; H602-F664 HydrophobicContact CB-CE1 4.07Å; H602-F664 HydrophobicContact CB-CE2 4.27Å; H602-F664 HydrophobicContact CB-CG 4.16Å; H602-F664 HydrophobicContact CB-CZ 4.19Å; H602-F664 AromaticContact CD2-CD1 3.52Å; H602-F664 AromaticContact CG-CD1 3.6Å; H602-F664 AromaticContact CG-CG 3.75Å; H602-F664 AromaticContact ND1-CG 3.8Å; H602-F664 AromaticContact NE2-CD1 3.95Å; H602-D667 IonicContact NE2-OD2 2.9Å; H602-D667 PolarHBondContact NE2-OD2 3.31Å; H602-W668 AromaticContact CE1-CE2 3.54Å; H602-W668 AromaticContact CE1-CZ2 3.54Å; H602-W668 AromaticContact CE1-NE1 3.59Å; H602-W668 AromaticContact ND1-CE2 3.8Å; H602-W668 AromaticContact ND1-CZ2 3.56Å; H602-W668 AromaticContact ND1-NE1 3.71Å; H602-E737 IonicContact CE1-OE1 2.6Å; H602-E737 IonicContact CG-OE1 3.91Å; H602-E737 IonicContact ND1-OE1 2.75Å; H602-E737 PolarHBondContact ND1-OE1 3.27Å; H602-E737 IonicContact ND1-OE2 2.86Å
603N96.1Very high97.1Very high119 Ų11918.9 Ų18.964%0.6369%0.092SC*.Hα-helixtrans-63-33173.4-176.372.1000112.5M599 L601 H605M599-N603 WeakPolarHBondContact O-CB 3.17Å; M599-N603 PolarHBondContact O-N 2.95Å; L601-N603 VanDerWaalsContact C-N 3.34Å; L601-N603 PolarHBondContact O-N 3.37Å; N603-H605 PolarHBondContact O-N 3.17Å
604H96.9Very high96.8Very high75 Ų7522.3 Ų22.335%0.34711%0.11SC..THydrogen-bonded Turntrans-83.310.3170.3-68.696.7000113.9L540 F600 L601 H602 I606L540-H604 HydrophobicContact CD2-CB 3.87Å; F600-H604 AromaticContact CD1-ND1 3.92Å; F600-H604 AromaticContact CD2-CE1 3.89Å; F600-H604 AromaticContact CE1-CE1 3.97Å; F600-H604 AromaticContact CE1-ND1 3.75Å; F600-H604 AromaticContact CE2-CE1 3.45Å; F600-H604 VanDerWaalsContact CE2-CE1 3.45Å; F600-H604 WeakPolarHBondContact CE2-CE1 3.17Å; F600-H604 AromaticContact CE2-ND1 3.95Å; F600-H604 AromaticContact CZ-CE1 3.48Å; F600-H604 VanDerWaalsContact CZ-CE1 3.48Å; F600-H604 WeakPolarHBondContact CZ-CE1 3.41Å; F600-H604 AromaticContact CZ-ND1 3.76Å; F600-H604 PolarHBondContact O-N 3.42Å; F600-H604 PolarHBondContact O-ND1 2.89Å; L601-H604 CarbonylContact O-C 3.55Å; L601-H604 WeakPolarHBondContact O-CA 3.25Å; L601-H604 PolarHBondContact O-N 3.17Å; H602-H604 VanDerWaalsContact C-N 3.28Å; H602-H604 PolarHBondContact O-N 3.3Å; H604-I606 VanDerWaalsContact C-N 3.34Å; H604-I606 HydrophobicContact CB-CD1 3.99Å; H604-I606 PolarHBondContact O-N 3.41Å
605H97.1Very high96.6Very high61 Ų6122.9 Ų22.928%0.28211%0.113SC..THydrogen-bonded Turntrans61.436.8-179.9-49.6-40.2000114.1L601 H602 N603 E634 G635 M636 K637L601-H605 PolarHBondContact O-N 3.29Å; L601-H605 VanDerWaalsContact O-N 3.17Å; H602-H605 WeakPolarHBondContact O-CA 3.49Å; H602-H605 PolarHBondContact O-N 2.73Å; N603-H605 PolarHBondContact O-N 3.17Å; H605-E634 CarbonylContact O-C 3.5Å; H605-G635 PolarHBondContact O-N 2.68Å; H605-M636 WeakPolarHBondContact O-CB 3.2Å; H605-M636 PolarHBondContact O-N 2.84Å; H605-K637 HydrophobicContact CB-CG 4.27Å; H605-K637 VanDerWaalsContact CD2-CG 3.42Å; H605-K637 WeakPolarHBondContact CD2-CG 3.32Å
606I97.3Very high96.6Very high7 Ų722.9 Ų22.94%0.03611%0.113CC..  trans-112.6129.3175.4-63.2153.6000108.7I537 L540 L601 H602 H604 C632 K633 E634 F664I537-I606 HydrophobicContact CD1-CD1 4.31Å; I537-I606 HydrophobicContact CD1-CG1 4.31Å; I537-I606 HydrophobicContact CD1-CG2 3.77Å; I537-I606 HydrophobicContact CG1-CD1 3.88Å; I537-I606 HydrophobicContact CG1-CG1 4.37Å; I537-I606 HydrophobicContact CG1-CG2 4.5Å; L540-I606 HydrophobicContact CD2-CD1 3.66Å; L601-I606 CarbonylContact C-O 3.58Å; L601-I606 VanDerWaalsContact C-O 3.3Å; L601-I606 HydrophobicContact CB-CB 4.19Å; L601-I606 HydrophobicContact CB-CG2 4.35Å; L601-I606 HydrophobicContact CD2-CB 4.39Å; L601-I606 HydrophobicContact CD2-CD1 4.14Å; L601-I606 HydrophobicContact CD2-CG2 4.17Å; L601-I606 WeakPolarHBondContact O-CB 3.33Å; L601-I606 PolarHBondContact O-N 2.9Å; H602-I606 PolarHBondContact CD2-O 3.3Å; H602-I606 PolarHBondContact N-O 2.99Å; H604-I606 VanDerWaalsContact C-N 3.34Å; H604-I606 HydrophobicContact CB-CD1 3.99Å; H604-I606 PolarHBondContact O-N 3.41Å; I606-C632 HydrophobicContact CG2-CB 4.01Å; I606-K633 WeakPolarHBondContact CA-O 3.11Å; I606-E634 HydrophobicContact CG1-CB 4.28Å; I606-F664 WeakPolarHBondContact O-CE1 3.33Å
607V97.1Very high96.5Very high0 Ų024 Ų240%012%0.119CC..BIsolated β-bridgetrans-100.3139.4165.465.20000108.5R609 C632 K633 M636 F664 V666 D667V607-R609 HydrophobicContact CB-CG 4.29Å; V607-R609 HydrophobicContact CG1-CG 3.79Å; V607-R609 HydrophobicContact CG2-CG 3.76Å; V607-C632 CarbonylContact O-C 3.48Å; V607-C632 VanDerWaalsContact O-CA 3.26Å; V607-C632 WeakPolarHBondContact O-CA 3.38Å; V607-K633 HydrophobicContact CG1-CB 3.8Å; V607-K633 PolarHBondContact N-O 2.92Å; V607-K633 PolarHBondContact O-N 2.89Å; V607-M636 HydrophobicContact CB-CG 4.25Å; V607-M636 HydrophobicContact CG1-CE 4.28Å; V607-M636 HydrophobicContact CG1-CG 3.79Å; V607-M636 HydrophobicContact CG1-SD 4.35Å; V607-F664 HydrophobicContact CB-CD1 3.9Å; V607-F664 HydrophobicContact CB-CE1 4.16Å; V607-F664 HydrophobicContact CG2-CD1 4.2Å; V607-V666 HydrophobicContact CG2-CG2 3.98Å; V607-D667 WeakPolarHBondContact CG2-OD2 3.34Å
608Y97.6Very high96.4Very high1 Ų124 Ų240%0.00412%0.118CC..  trans-90.1-44.3-169.3179.5-99.7000113.4L601 D610 L611 N615 L626 A627 D628 F629 M631 D667L601-Y608 HydrophobicContact CD1-CD2 4.1Å; L601-Y608 HydrophobicContact CD1-CG 4.47Å; Y608-D610 VanDerWaalsContact C-N 3.27Å; Y608-D610 VanDerWaalsContact CE1-C 3.4Å; Y608-D610 WeakPolarHBondContact CE1-O 3.43Å; Y608-D610 PolarHBondContact O-N 2.74Å; Y608-D610 VanDerWaalsContact O-N 3.12Å; Y608-L611 HydrophobicContact CD1-CB 3.99Å; Y608-L611 HydrophobicContact CE1-CB 4.07Å; Y608-L611 HydrophobicContact CE1-CD1 4.41Å; Y608-N615 WeakPolarHBondContact OH-CB 3.28Å; Y608-N615 PolarHBondContact OH-ND2 3.43Å; Y608-N615 VanDerWaalsContact OH-ND2 3.13Å; Y608-L626 HydrophobicContact CD1-CD2 4.37Å; Y608-L626 HydrophobicContact CD2-CD2 3.92Å; Y608-L626 HydrophobicContact CE1-CD1 3.96Å; Y608-L626 HydrophobicContact CE1-CD2 4.27Å; Y608-L626 HydrophobicContact CE1-CG 4.38Å; Y608-L626 HydrophobicContact CE2-CD1 4.35Å; Y608-L626 HydrophobicContact CE2-CD2 3.83Å; Y608-L626 HydrophobicContact CE2-CG 3.93Å; Y608-L626 HydrophobicContact CG-CD2 4.21Å; Y608-A627 PolarHBondContact OH-O 3.13Å; Y608-D628 PolarHBondContact OH-O 3.39Å; Y608-F629 AromaticContact CD2-CD1 3.88Å; Y608-F629 HydrophobicContact CD2-CD1 3.88Å; Y608-F629 HydrophobicContact CD2-CE1 4.14Å; Y608-F629 AromaticContact CE2-CD1 3.73Å; Y608-F629 HydrophobicContact CE2-CD1 3.73Å; Y608-F629 AromaticContact CE2-CE1 3.94Å; Y608-F629 HydrophobicContact CE2-CE1 3.94Å; Y608-M631 CarbonylContact O-C 3.56Å; Y608-D667 PolarHBondContact N-OD2 2.88Å
609R96.3Very high96.2Very high25 Ų2524 Ų249%0.09412%0.118CC..  trans68.2-10.9168.4-50.4-171.3-65.1175.41.2118.8V607 M631 C632 C646 G647 Y662 V666 D667V607-R609 HydrophobicContact CB-CG 4.29Å; V607-R609 HydrophobicContact CG1-CG 3.79Å; V607-R609 HydrophobicContact CG2-CG 3.76Å; R609-M631 PolarHBondContact NE-O 3.12Å; R609-M631 PolarHBondContact NH2-O 2.83Å; R609-C632 PolarHBondContact NH2-O 3.37Å; R609-C646 VanDerWaalsContact CZ-SG 3.52Å; R609-G647 VanDerWaalsContact O-CA 3.25Å; R609-G647 WeakPolarHBondContact O-CA 2.9Å; R609-Y662 VanDerWaalsContact CD-OH 3.32Å; R609-Y662 WeakPolarHBondContact CD-OH 3.4Å; R609-Y662 HydrophobicContact CG-CE2 4.34Å; R609-Y662 PolarHBondContact NH1-OH 3.27Å; R609-V666 HydrophobicContact CG-CG2 4.26Å; R609-D667 WeakPolarHBondContact CA-OD1 3.47Å; R609-D667 PolarHBondContact N-OD1 2.62Å
610D95.5Very high95.9Very high5 Ų522.7 Ų22.73%0.02711%0.114CC..  trans-128.340-179.5-166.933.6000113.3Y608 K612 N615 M631 T648Y608-D610 VanDerWaalsContact C-N 3.27Å; Y608-D610 VanDerWaalsContact CE1-C 3.4Å; Y608-D610 WeakPolarHBondContact CE1-O 3.43Å; Y608-D610 PolarHBondContact O-N 2.74Å; Y608-D610 VanDerWaalsContact O-N 3.12Å; D610-K612 PolarHBondContact O-N 3.03Å; D610-K612 IonicContact OD1-NZ 3.2Å; D610-K612 PolarHBondContact OD1-NZ 2.85Å; D610-K612 IonicContact OD2-NZ 3.72Å; D610-K612 PolarHBondContact OD2-NZ 2.94Å; D610-N615 PolarHBondContact O-ND2 3.05Å; D610-N615 PolarHBondContact OD2-ND2 2.8Å; D610-M631 HydrophobicContact CB-CB 3.66Å; D610-M631 HydrophobicContact CB-CG 3.79Å; D610-T648 PolarHBondContact OD1-OG1 2.95Å
611L97.6Very high95.7Very high1 Ų123.8 Ų23.81%0.00512%0.119CC..  trans-71.2115.1179.5-175.765.9000110.9V594 L598 Y608 I616 L626 Y651 A670 L671 L674V594-L611 HydrophobicContact CG1-CD1 3.98Å; V594-L611 HydrophobicContact CG1-CD2 4.1Å; L598-L611 HydrophobicContact CD1-CD2 4.05Å; Y608-L611 HydrophobicContact CD1-CB 3.99Å; Y608-L611 HydrophobicContact CE1-CB 4.07Å; Y608-L611 HydrophobicContact CE1-CD1 4.41Å; L611-I616 HydrophobicContact CD1-CD1 4.18Å; L611-I616 HydrophobicContact CD1-CG1 4.38Å; L611-L626 HydrophobicContact CD1-CD1 3.78Å; L611-Y651 WeakPolarHBondContact O-CD1 3.29Å; L611-A670 HydrophobicContact CB-CB 3.91Å; L611-A670 HydrophobicContact CD2-CB 4.32Å; L611-L671 HydrophobicContact CD2-CB 4Å; L611-L674 HydrophobicContact CD1-CD1 4Å; L611-L674 HydrophobicContact CD2-CD1 4.44Å; L611-L674 HydrophobicContact CG-CD1 3.79Å
612K95.1Very high95.6Very high16 Ų1623.7 Ų23.77%0.0712%0.119CC..  trans-150.3165.317556.9169.7167-70.80110.7D610 D614 N615 T648 Y651D610-K612 PolarHBondContact O-N 3.03Å; D610-K612 IonicContact OD1-NZ 3.2Å; D610-K612 PolarHBondContact OD1-NZ 2.85Å; D610-K612 IonicContact OD2-NZ 3.72Å; D610-K612 PolarHBondContact OD2-NZ 2.94Å; K612-D614 VanDerWaalsContact C-N 3.28Å; K612-D614 HydrophobicContact CD-CB 4.02Å; K612-D614 HydrophobicContact CG-CB 4.31Å; K612-D614 PolarHBondContact O-N 3.13Å; K612-N615 VanDerWaalsContact CE-OD1 3.23Å; K612-N615 WeakPolarHBondContact CE-OD1 3.35Å; K612-N615 HydrophobicContact CG-CB 4.2Å; K612-N615 PolarHBondContact O-N 3.32Å; K612-T648 HydrophobicContact CD-CG2 4.22Å; K612-T648 PolarHBondContact NZ-OG1 3.28Å; K612-Y651 HydrophobicContact CB-CD1 4.41Å; K612-Y651 HydrophobicContact CB-CD2 4Å; K612-Y651 HydrophobicContact CB-CE1 4.12Å; K612-Y651 HydrophobicContact CB-CE2 3.72Å; K612-Y651 HydrophobicContact CB-CG 4.33Å
613L92.5Very high95.7Very high0 Ų023.8 Ų23.80%012%0.119CC..G310 helixtrans-58.6-35.3-179.3-68.3171.7000113.7L572 M573 I576 N615 I616 Y651 L674 E677 M678L572-L613 HydrophobicContact CB-CB 4.19Å; L572-L613 HydrophobicContact CB-CD2 3.82Å; L572-L613 HydrophobicContact CD1-CD2 4.2Å; L572-L613 PolarHBondContact N-O 3.26Å; M573-L613 HydrophobicContact CB-CB 3.96Å; M573-L613 HydrophobicContact CE-CB 4.29Å; M573-L613 HydrophobicContact CE-CD1 4.19Å; I576-L613 HydrophobicContact CD1-CD1 4.22Å; I576-L613 HydrophobicContact CG2-CD1 3.89Å; L613-N615 VanDerWaalsContact C-N 3.27Å; L613-N615 PolarHBondContact O-N 3.29Å; L613-I616 PolarHBondContact O-N 3.32Å; L613-Y651 PolarHBondContact N-OH 2.86Å; L613-L674 HydrophobicContact CD2-CD1 4.46Å; L613-L674 HydrophobicContact CD2-CD2 3.66Å; L613-L674 HydrophobicContact CD2-CG 3.83Å; L613-L674 HydrophobicContact CG-CG 4.2Å; L613-E677 HydrophobicContact CD1-CB 4.45Å; L613-E677 VanDerWaalsContact CD1-CD 3.49Å; L613-E677 HydrophobicContact CD1-CG 3.98Å; L613-M678 HydrophobicContact CD2-CG 3.87Å
614D91Very high95.7Very high71 Ų7118.2 Ų18.238%0.389%0.089SC..G310 helixtrans-64.5-29.6179.1-49.4-110.5000113D571 M573 K612 I616D571-D614 WeakPolarHBondContact CB-O 3.48Å; M573-D614 HydrophobicContact CB-CB 4.48Å; K612-D614 VanDerWaalsContact C-N 3.28Å; K612-D614 HydrophobicContact CD-CB 4.02Å; K612-D614 HydrophobicContact CG-CB 4.31Å; K612-D614 PolarHBondContact O-N 3.13Å; D614-I616 VanDerWaalsContact C-N 3.35Å
615N95.6Very high95.8Very high15 Ų1515.4 Ų15.48%0.088%0.076CC..G310 helixtrans-87.8-2.2-178.1-72.513.8000113Y608 D610 K612 L613 A627Y608-N615 WeakPolarHBondContact OH-CB 3.28Å; Y608-N615 PolarHBondContact OH-ND2 3.43Å; Y608-N615 VanDerWaalsContact OH-ND2 3.13Å; D610-N615 PolarHBondContact O-ND2 3.05Å; D610-N615 PolarHBondContact OD2-ND2 2.8Å; K612-N615 VanDerWaalsContact CE-OD1 3.23Å; K612-N615 WeakPolarHBondContact CE-OD1 3.35Å; K612-N615 HydrophobicContact CG-CB 4.2Å; K612-N615 PolarHBondContact O-N 3.32Å; L613-N615 VanDerWaalsContact C-N 3.27Å; L613-N615 PolarHBondContact O-N 3.29Å; N615-A627 PolarHBondContact O-N 3.26Å
616I97.4Very high95.8Very high0 Ų012.6 Ų12.60%06%0.063CC..EExtended strand (participates in β ladder)trans-105.7104.3175.5-55.6167.2000108.8D571 L572 V594 L611 L613 D614 C624 L626 L674D571-I616 CarbonylContact C-O 3.49Å; D571-I616 VanDerWaalsContact CA-O 3.32Å; D571-I616 WeakPolarHBondContact CA-O 3.45Å; L572-I616 HydrophobicContact CD1-CB 3.9Å; L572-I616 HydrophobicContact CD1-CD1 3.99Å; L572-I616 HydrophobicContact CD1-CG2 3.66Å; L572-I616 HydrophobicContact CG-CB 4.06Å; L572-I616 HydrophobicContact CG-CG2 3.92Å; L572-I616 PolarHBondContact N-O 3.33Å; V594-I616 HydrophobicContact CG2-CD1 3.63Å; V594-I616 HydrophobicContact CG2-CG1 4.3Å; L611-I616 HydrophobicContact CD1-CD1 4.18Å; L611-I616 HydrophobicContact CD1-CG1 4.38Å; L613-I616 PolarHBondContact O-N 3.32Å; D614-I616 VanDerWaalsContact C-N 3.35Å; I616-C624 HydrophobicContact CG2-CB 3.9Å; I616-C624 VanDerWaalsContact CG2-SG 3.6Å; I616-L626 HydrophobicContact CG1-CD1 3.96Å; I616-L674 HydrophobicContact CD1-CD1 3.51Å; I616-L674 HydrophobicContact CD1-CD2 4.02Å; I616-L674 HydrophobicContact CD1-CG 4.41Å
617L96.9Very high95.7Very high36 Ų3613 Ų1319%0.1887%0.067CC..EExtended strand (participates in β ladder)trans-84154.4175.6-52-177000110.8T548 V567 D571 C624 K625 A627T548-L617 HydrophobicContact CG2-CD1 4.4Å; V567-L617 HydrophobicContact CB-CB 4.04Å; V567-L617 HydrophobicContact CB-CD1 3.95Å; V567-L617 HydrophobicContact CG1-CB 3.56Å; V567-L617 HydrophobicContact CG1-CD1 4.41Å; V567-L617 HydrophobicContact CG2-CD1 4.41Å; D571-L617 HydrophobicContact CB-CD2 3.89Å; L617-C624 CarbonylContact O-C 3.35Å; L617-C624 WeakPolarHBondContact O-CA 3.3Å; L617-K625 HydrophobicContact CB-CB 4.23Å; L617-K625 PolarHBondContact N-O 3.37Å; L617-K625 PolarHBondContact O-N 2.87Å; L617-A627 HydrophobicContact CD1-CB 3.96Å; L617-A627 HydrophobicContact CG-CB 4.09Å
618L95.6Very high95.4Very high0 Ų016.3 Ų16.30%09%0.085CC..EExtended strand (participates in β ladder)trans-110138.6169.1-65-173.8000111.1V567 G569 G570 L572 Q575 Y590 H623 F763 P765V567-L618 VanDerWaalsContact CG1-C 3.41Å; V567-L618 WeakPolarHBondContact CG1-O 3.28Å; G569-L618 WeakPolarHBondContact CA-O 3.47Å; G569-L618 PolarHBondContact N-O 2.79Å; G570-L618 PolarHBondContact O-N 3.36Å; L572-L618 HydrophobicContact CD2-CD1 3.92Å; L572-L618 HydrophobicContact CD2-CD2 3.85Å; L572-L618 HydrophobicContact CD2-CG 3.88Å; Q575-L618 HydrophobicContact CG-CD1 4.04Å; Y590-L618 HydrophobicContact CD1-CD2 4.27Å; Y590-L618 HydrophobicContact CE1-CD1 4.45Å; Y590-L618 HydrophobicContact CE1-CD2 3.67Å; Y590-L618 WeakPolarHBondContact OH-CD1 3.36Å; L618-H623 WeakPolarHBondContact CA-O 3.26Å; L618-F763 HydrophobicContact CD1-CD1 3.98Å; L618-F763 HydrophobicContact CD1-CE1 4.09Å; L618-P765 HydrophobicContact CB-CG 4.45Å
619D93.8Very high95.2Very high0 Ų016.3 Ų16.30%09%0.085CC..  trans-84.8178.917378.94.6000113.9V567 E621 G622 H623 R757 P765V567-D619 HydrophobicContact CG1-CB 4.21Å; D619-E621 PolarHBondContact O-N 3.46Å; D619-E621 WeakPolarHBondContact OD1-CA 3.39Å; D619-E621 WeakPolarHBondContact OD1-CB 3.38Å; D619-E621 PolarHBondContact OD1-N 3.49Å; D619-G622 PolarHBondContact O-N 3.01Å; D619-G622 PolarHBondContact OD1-N 3.13Å; D619-H623 PolarHBondContact N-O 3.33Å; D619-H623 PolarHBondContact OD1-N 2.88Å; D619-H623 VanDerWaalsContact OD1-N 3.12Å; D619-R757 IonicContact OD1-NH2 3.4Å; D619-R757 IonicContact OD2-CZ 3.18Å; D619-R757 IonicContact OD2-NH1 3.07Å; D619-R757 PolarHBondContact OD2-NH1 2.89Å; D619-R757 IonicContact OD2-NH2 2.66Å; D619-R757 PolarHBondContact OD2-NH2 2.87Å; D619-P765 WeakPolarHBondContact O-CD 3.18Å; D619-P765 WeakPolarHBondContact O-CG 3.49Å
620A92.6Very high95Very high9 Ų916.1 Ų16.17%0.0749%0.091CC..SBendtrans-66.1-3.4-179.700000115.1N568 R764 V767 T821N568-A620 WeakPolarHBondContact OD1-CB 3.3Å; A620-R764 VanDerWaalsContact O-CZ 3.27Å; A620-R764 PolarHBondContact O-NE 3.48Å; A620-R764 PolarHBondContact O-NH2 3.3Å; A620-V767 HydrophobicContact CB-CB 4.33Å; A620-V767 HydrophobicContact CB-CG1 4.35Å; A620-V767 HydrophobicContact CB-CG2 4.14Å; A620-T821 HydrophobicContact CB-CG2 3.6Å
621E93.8Very high94.7Very high53 Ų5317.9 Ų17.925%0.24810%0.099CC..SBendtrans-106.6-31.5175.6-70171.4-174.800111D619 R757 R764 T821D619-E621 PolarHBondContact O-N 3.46Å; D619-E621 WeakPolarHBondContact OD1-CA 3.39Å; D619-E621 WeakPolarHBondContact OD1-CB 3.38Å; D619-E621 PolarHBondContact OD1-N 3.49Å; E621-R757 IonicContact OE2-NH2 2.69Å; E621-R757 PolarHBondContact OE2-NH2 2.85Å; E621-R764 WeakPolarHBondContact O-CG 3.47Å; E621-T821 HydrophobicContact CG-CG2 4.45Å; E621-T821 PolarHBondContact OE1-N 3.12Å
622G95.6Very high94.6Very high0 Ų018.1 Ų18.10%010%0.102CC..SBendtrans120.710.5172.900000114.5D619 P761 F763D619-G622 PolarHBondContact O-N 3.01Å; D619-G622 PolarHBondContact OD1-N 3.13Å; G622-P761 WeakPolarHBondContact O-CB 3.48Å; G622-F763 WeakPolarHBondContact CA-O 3.31Å
623H97.6Very high94.5Very high5 Ų520.8 Ų20.82%0.02311%0.113CC..  trans-84.2149.8178.6-67.1-88.4000111.6F546 F589 E593 L618 D619 R757 V759 P761F546-H623 HydrophobicContact CD1-CB 4.5Å; F546-H623 HydrophobicContact CE1-CB 4.16Å; F546-H623 AromaticContact CE1-ND1 3.89Å; F589-H623 AromaticContact CZ-ND1 3.89Å; E593-H623 IonicContact OE1-CE1 2.83Å; E593-H623 IonicContact OE1-CG 2.67Å; E593-H623 IonicContact OE1-ND1 2.66Å; E593-H623 PolarHBondContact OE1-ND1 2.87Å; L618-H623 WeakPolarHBondContact CA-O 3.26Å; D619-H623 PolarHBondContact N-O 3.33Å; D619-H623 PolarHBondContact OD1-N 2.88Å; D619-H623 VanDerWaalsContact OD1-N 3.12Å; H623-R757 PolarHBondContact CD2-NE 3.25Å; H623-R757 PolarHBondContact CD2-NH2 2.86Å; H623-V759 PolarHBondContact CE1-O 2.8Å; H623-V759 VanDerWaalsContact CE1-O 3.3Å; H623-P761 VanDerWaalsContact CD2-CG 3.44Å; H623-P761 WeakPolarHBondContact CD2-CG 3.12Å; H623-P761 WeakPolarHBondContact NE2-CD 3.31Å; H623-P761 WeakPolarHBondContact NE2-CG 3.39Å
624C97.7Very high94.5Very high2 Ų224.1 Ų24.11%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-67147175.9-740000113.3F546 Y590 E593 I616 L617F546-C624 WeakPolarHBondContact CA-O 3.42Å; F546-C624 WeakPolarHBondContact CD1-O 3.4Å; Y590-C624 WeakPolarHBondContact CD1-SG 3.12Å; E593-C624 HydrophobicContact CB-CB 3.91Å; E593-C624 WeakPolarHBondContact OE2-CB 3.37Å; E593-C624 PolarHBondContact OE2-N 3.34Å; I616-C624 HydrophobicContact CG2-CB 3.9Å; I616-C624 VanDerWaalsContact CG2-SG 3.6Å; L617-C624 CarbonylContact O-C 3.35Å; L617-C624 WeakPolarHBondContact O-CA 3.3Å
625K97.3Very high94.6Very high17 Ų1722.8 Ų22.87%0.07413%0.132CC..EExtended strand (participates in β ladder)trans-140.2101.5170.9-84.8-77.7-179.4168.10108P545 F546 L547 T548 E565 V567 L617P545-K625 WeakPolarHBondContact O-CE 3.4Å; P545-K625 PolarHBondContact O-NZ 2.84Å; F546-K625 WeakPolarHBondContact O-CA 3.36Å; L547-K625 WeakPolarHBondContact O-CD 3.33Å; L547-K625 PolarHBondContact O-NZ 3.13Å; T548-K625 HydrophobicContact CG2-CB 3.96Å; T548-K625 HydrophobicContact CG2-CD 4.31Å; E565-K625 IonicContact OE1-NZ 2.65Å; E565-K625 PolarHBondContact OE1-NZ 3.43Å; E565-K625 WeakPolarHBondContact OE2-CE 3.37Å; E565-K625 IonicContact OE2-NZ 2.62Å; E565-K625 PolarHBondContact OE2-NZ 3.33Å; V567-K625 HydrophobicContact CG1-CB 4.05Å; V567-K625 HydrophobicContact CG1-CG 4.19Å; V567-K625 HydrophobicContact CG2-CB 4.01Å; V567-K625 HydrophobicContact CG2-CD 4.4Å; V567-K625 HydrophobicContact CG2-CG 3.91Å; L617-K625 HydrophobicContact CB-CB 4.23Å; L617-K625 PolarHBondContact N-O 3.37Å; L617-K625 PolarHBondContact O-N 2.87Å
626L97.5Very high94.4Very high2 Ų222.5 Ų22.51%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-69.7128.7174.8-171.568.3000109.4F546 L547 T548 A597 L601 Y608 L611 I616 F629F546-L626 PolarHBondContact O-N 2.71Å; L547-L626 HydrophobicContact CD2-CB 3.95Å; L547-L626 HydrophobicContact CD2-CD2 4.09Å; T548-L626 PolarHBondContact N-O 3.36Å; T548-L626 PolarHBondContact OG1-O 2.84Å; A597-L626 HydrophobicContact CB-CD2 4.43Å; L601-L626 HydrophobicContact CD1-CD2 4.34Å; Y608-L626 HydrophobicContact CD1-CD2 4.37Å; Y608-L626 HydrophobicContact CD2-CD2 3.92Å; Y608-L626 HydrophobicContact CE1-CD1 3.96Å; Y608-L626 HydrophobicContact CE1-CD2 4.27Å; Y608-L626 HydrophobicContact CE1-CG 4.38Å; Y608-L626 HydrophobicContact CE2-CD1 4.35Å; Y608-L626 HydrophobicContact CE2-CD2 3.83Å; Y608-L626 HydrophobicContact CE2-CG 3.93Å; Y608-L626 HydrophobicContact CG-CD2 4.21Å; L611-L626 HydrophobicContact CD1-CD1 3.78Å; I616-L626 HydrophobicContact CG1-CD1 3.96Å; L626-F629 WeakPolarHBondContact O-CZ 3.43Å
627A94.7Very high94Very high14 Ų1428.5 Ų28.512%0.11616%0.156CC..  trans-122.8-179.3-173.100000112.2T548 Y608 N615 L617T548-A627 HydrophobicContact CG2-CB 3.83Å; Y608-A627 PolarHBondContact OH-O 3.13Å; N615-A627 PolarHBondContact O-N 3.26Å; L617-A627 HydrophobicContact CD1-CB 3.96Å; L617-A627 HydrophobicContact CG-CB 4.09Å
628D92.1Very high93.4Very high70 Ų7032.7 Ų32.737%0.37419%0.186SC..  trans49.286176.4-156.27.9000114.9K515 Y608 G630K515-D628 IonicContact NZ-OD1 2.79Å; K515-D628 PolarHBondContact NZ-OD1 2.89Å; Y608-D628 PolarHBondContact OH-O 3.39Å; D628-G630 VanDerWaalsContact C-N 3.33Å
629F94.1Very high92.7Very high1 Ų136.8 Ų36.80%0.00423%0.228CC..  trans-93.111-177-58.2-85000112.9E534 I537 L538 L547 L601 Y608 L626 M631 C632E534-F629 HydrophobicContact CG-CB 4.23Å; E534-F629 PolarHBondContact OE1-N 3.16Å; I537-F629 HydrophobicContact CB-CB 4.3Å; I537-F629 HydrophobicContact CB-CG 4.5Å; I537-F629 HydrophobicContact CG2-CB 3.95Å; I537-F629 HydrophobicContact CG2-CD1 3.54Å; I537-F629 HydrophobicContact CG2-CD2 4.4Å; I537-F629 HydrophobicContact CG2-CE1 4.15Å; I537-F629 HydrophobicContact CG2-CG 3.69Å; L538-F629 HydrophobicContact CD2-CD2 3.45Å; L538-F629 VanDerWaalsContact CD2-CD2 3.45Å; L538-F629 HydrophobicContact CD2-CE2 3.65Å; L538-F629 HydrophobicContact CG-CD2 3.81Å; L538-F629 HydrophobicContact CG-CE2 4.43Å; L547-F629 HydrophobicContact CB-CZ 4.18Å; L547-F629 HydrophobicContact CD2-CE1 4.11Å; L547-F629 HydrophobicContact CD2-CZ 4.02Å; L601-F629 HydrophobicContact CD1-CE1 4.27Å; Y608-F629 AromaticContact CD2-CD1 3.88Å; Y608-F629 HydrophobicContact CD2-CD1 3.88Å; Y608-F629 HydrophobicContact CD2-CE1 4.14Å; Y608-F629 AromaticContact CE2-CD1 3.73Å; Y608-F629 HydrophobicContact CE2-CD1 3.73Å; Y608-F629 AromaticContact CE2-CE1 3.94Å; Y608-F629 HydrophobicContact CE2-CE1 3.94Å; L626-F629 WeakPolarHBondContact O-CZ 3.43Å; F629-M631 PolarHBondContact O-N 3.06Å; F629-M631 VanDerWaalsContact O-N 3.12Å; F629-C632 VanDerWaalsContact O-CB 3.3Å; F629-C632 WeakPolarHBondContact O-CB 3.48Å; F629-C632 PolarHBondContact O-N 2.93Å; F629-C632 PolarHBondContact O-SG 3.43Å
630G90.8Very high92.5Very high22 Ų2245.6 Ų45.623%0.22726%0.261CS..THydrogen-bonded Turntrans-60.4-21.2-178.300000114.9D628D628-G630 VanDerWaalsContact C-N 3.33Å
631M89.6Confident92.4Very high41 Ų4148 Ų4820%0.20228%0.278CS..THydrogen-bonded Turntrans-95.8-3.2177.4-69.4-69.216600114.1Y608 R609 D610 F629 C646Y608-M631 CarbonylContact O-C 3.56Å; R609-M631 PolarHBondContact NE-O 3.12Å; R609-M631 PolarHBondContact NH2-O 2.83Å; D610-M631 HydrophobicContact CB-CB 3.66Å; D610-M631 HydrophobicContact CB-CG 3.79Å; F629-M631 PolarHBondContact O-N 3.06Å; F629-M631 VanDerWaalsContact O-N 3.12Å; M631-C646 HydrophobicContact SD-CB 4.19Å
632C95Very high92.3Very high7 Ų746.5 Ų46.55%0.04727%0.272CS..  trans-62.6161.1-177.1-720000113.7I537 I606 V607 R609 F629I537-C632 HydrophobicContact CD1-CB 3.28Å; I606-C632 HydrophobicContact CG2-CB 4.01Å; V607-C632 CarbonylContact O-C 3.48Å; V607-C632 VanDerWaalsContact O-CA 3.26Å; V607-C632 WeakPolarHBondContact O-CA 3.38Å; R609-C632 PolarHBondContact NH2-O 3.37Å; F629-C632 VanDerWaalsContact O-CB 3.3Å; F629-C632 WeakPolarHBondContact O-CB 3.48Å; F629-C632 PolarHBondContact O-N 2.93Å; F629-C632 PolarHBondContact O-SG 3.43Å
633K93.7Very high91.9Very high72 Ų7250.4 Ų50.431%0.31330%0.299SS..BIsolated β-bridgetrans-134.8115.3164.6-165.863.8179.6171.50111.8I606 V607 M636I606-K633 WeakPolarHBondContact CA-O 3.11Å; V607-K633 HydrophobicContact CG1-CB 3.8Å; V607-K633 PolarHBondContact N-O 2.92Å; V607-K633 PolarHBondContact O-N 2.89Å; K633-M636 HydrophobicContact CG-SD 4.33Å; K633-M636 WeakPolarHBondContact O-CG 3.3Å
634E92.9Very high91.4Very high69 Ų6953.6 Ų53.632%0.32232%0.319SS..  trans-75.9163.4171.363.3179.9-159.500112.3T533 R536 H605 I606T533-E634 HydrophobicContact CG2-CB 4.26Å; T533-E634 HydrophobicContact CG2-CG 3.87Å; R536-E634 IonicContact CZ-OE1 3.71Å; R536-E634 IonicContact CZ-OE2 3.31Å; R536-E634 IonicContact NE-OE1 3.59Å; R536-E634 PolarHBondContact NE-OE1 3.49Å; R536-E634 IonicContact NE-OE2 3.69Å; R536-E634 PolarHBondContact NE-OE2 3.07Å; R536-E634 IonicContact NH2-OE1 2.71Å; R536-E634 PolarHBondContact NH2-OE1 3.15Å; R536-E634 IonicContact NH2-OE2 3.93Å; H605-E634 CarbonylContact O-C 3.5Å; I606-E634 HydrophobicContact CG1-CB 4.28Å
635G91.8Very high90.8Very high44 Ų4457.2 Ų57.245%0.45434%0.335SS..  trans85.410.2174.700000115.3H605 K637H605-G635 PolarHBondContact O-N 2.68Å; G635-K637 PolarHBondContact O-N 3.3Å
636M91.6Very high90.1Very high9 Ų956.8 Ų56.84%0.04433%0.334CS..  trans-74.853.9-179.8-58.4-61-71.500112.6H605 V607 K633 T642 F664H605-M636 WeakPolarHBondContact O-CB 3.2Å; H605-M636 PolarHBondContact O-N 2.84Å; V607-M636 HydrophobicContact CB-CG 4.25Å; V607-M636 HydrophobicContact CG1-CE 4.28Å; V607-M636 HydrophobicContact CG1-CG 3.79Å; V607-M636 HydrophobicContact CG1-SD 4.35Å; K633-M636 HydrophobicContact CG-SD 4.33Å; K633-M636 WeakPolarHBondContact O-CG 3.3Å; M636-T642 HydrophobicContact CE-CG2 4.11Å; M636-T642 HydrophobicContact SD-CG2 4.41Å; M636-F664 HydrophobicContact CB-CE1 3.76Å; M636-F664 HydrophobicContact CB-CZ 3.78Å; M636-F664 VanDerWaalsContact O-CZ 3.26Å; M636-F664 WeakPolarHBondContact O-CZ 3.49Å
637K89Confident89.2Confident126 Ų12656.8 Ų56.855%0.54834%0.335SS..  trans-64.8154.5174.9-72.9178.9176.6-178.10110.6H605 G635 G639 R640H605-K637 HydrophobicContact CB-CG 4.27Å; H605-K637 VanDerWaalsContact CD2-CG 3.42Å; H605-K637 WeakPolarHBondContact CD2-CG 3.32Å; G635-K637 PolarHBondContact O-N 3.3Å; K637-G639 PolarHBondContact O-N 2.94Å; K637-R640 HydrophobicContact CB-CG 4.41Å; K637-R640 VanDerWaalsContact O-CB 3.29Å; K637-R640 WeakPolarHBondContact O-CB 3.4Å; K637-R640 PolarHBondContact O-N 2.87Å
638P83.9Confident88.6Confident124 Ų12456.7 Ų56.781%0.80533%0.333SS*.THydrogen-bonded Turntrans-48.7126.6176.6-29.436000112.6
639G80.8Confident88.4Confident86 Ų8654.7 Ų54.789%0.88732%0.323SS*.THydrogen-bonded Turntrans85.41.7-174.200000115.7K637K637-G639 PolarHBondContact O-N 2.94Å
640R90.4Very high88.1Confident184 Ų18457.5 Ų57.569%0.69434%0.338SS*.  trans-96.3149.6164.5-64.3-63.3-170.8158.51.7110.9K637K637-R640 HydrophobicContact CB-CG 4.41Å; K637-R640 VanDerWaalsContact O-CB 3.29Å; K637-R640 WeakPolarHBondContact O-CB 3.4Å; K637-R640 PolarHBondContact O-N 2.87Å
641S90.7Very high88.4Confident61 Ų6157.1 Ų57.143%0.42733%0.33SS..  trans-140.3169.6177.554.60000109.8Y662S641-Y662 CarbonylContact C-O 3.46Å; S641-Y662 VanDerWaalsContact CA-O 3.26Å; S641-Y662 WeakPolarHBondContact CA-O 3.42Å; S641-Y662 WeakPolarHBondContact CB-O 3.46Å
642T90.7Very high88.6Confident20 Ų2055.3 Ų55.312%0.12332%0.321CS..BIsolated β-bridgetrans-140.5160.6171.2-161.70000110.9M636 Y662M636-T642 HydrophobicContact CE-CG2 4.11Å; M636-T642 HydrophobicContact SD-CG2 4.41Å; T642-Y662 HydrophobicContact CG2-CD2 4.07Å; T642-Y662 HydrophobicContact CG2-CE1 4.17Å; T642-Y662 HydrophobicContact CG2-CE2 3.46Å; T642-Y662 VanDerWaalsContact CG2-CE2 3.46Å; T642-Y662 PolarHBondContact N-O 2.79Å; T642-Y662 WeakPolarHBondContact O-CD1 3.44Å; T642-Y662 WeakPolarHBondContact O-CE1 3.4Å; T642-Y662 PolarHBondContact O-N 2.88Å
643S88.6Confident88.7Confident82 Ų8255 Ų5557%0.57332%0.32SS*.  trans-132.615-173.349.30000113.2F645S643-F645 PolarHBondContact O-N 2.8Å
644T85.9Confident88.8Confident72 Ų7252.1 Ų52.144%0.44231%0.308SS..  trans-65.7123.1174-46.70000110.1C646 Y662T644-C646 HydrophobicContact CG2-CB 4.45Å; T644-C646 PolarHBondContact O-N 3.31Å; T644-Y662 WeakPolarHBondContact O-CE1 3.41Å; T644-Y662 PolarHBondContact O-OH 2.94Å
645F86.4Confident88.9Confident79 Ų7949 Ų4935%0.34629%0.294SS..  trans-76.4106.5172.4-167-77.7000109.9W197 S643 I652 I656 L657 F694W197-F645 HydrophobicContact CE3-CE1 4.09Å; W197-F645 AromaticContact CH2-CE1 3.85Å; W197-F645 HydrophobicContact CH2-CE1 3.85Å; W197-F645 HydrophobicContact CZ2-CE1 4.44Å; W197-F645 AromaticContact CZ3-CE1 3.67Å; W197-F645 HydrophobicContact CZ3-CE1 3.67Å; W197-F645 HydrophobicContact CZ3-CZ 4.48Å; S643-F645 PolarHBondContact O-N 2.8Å; F645-I652 HydrophobicContact CD1-CD1 4.39Å; F645-I652 HydrophobicContact CE1-CD1 3.73Å; F645-I652 HydrophobicContact CE2-CD1 4.15Å; F645-I652 HydrophobicContact CZ-CD1 3.59Å; F645-I656 HydrophobicContact CD2-CG2 3.79Å; F645-I656 HydrophobicContact CE2-CG2 4.19Å; F645-I656 HydrophobicContact CG-CG2 4.19Å; F645-L657 HydrophobicContact CE2-CD2 4Å; F645-L657 HydrophobicContact CZ-CD2 3.87Å; F645-F694 HydrophobicContact CZ-CE2 4.2Å; F645-F694 HydrophobicContact CZ-CZ 4.42Å
646C82.5Confident89Confident7 Ų747.3 Ų47.35%0.04727%0.274CS..  trans-156.9171.7-178.260.90000111.7R609 M631 T644R609-C646 VanDerWaalsContact CZ-SG 3.52Å; M631-C646 HydrophobicContact SD-CB 4.19Å; T644-C646 HydrophobicContact CG2-CB 4.45Å; T644-C646 PolarHBondContact O-N 3.31Å
647G77.6Confident88.9Confident3 Ų348.4 Ų48.43%0.03128%0.28CS..SBendtrans132.5-148179.300000111.6W197 R609W197-G647 PolarHBondContact NE1-O 2.77Å; R609-G647 VanDerWaalsContact O-CA 3.25Å; R609-G647 WeakPolarHBondContact O-CA 2.9Å
648T81.8Confident89Confident12 Ų1245.1 Ų45.17%0.07428%0.276CS..  trans-123.8138.2166.8-68.10000108.2L196 D610 K612 D650 Y651 I652L196-T648 HydrophobicContact CD2-CG2 4.42Å; D610-T648 PolarHBondContact OD1-OG1 2.95Å; K612-T648 HydrophobicContact CD-CG2 4.22Å; K612-T648 PolarHBondContact NZ-OG1 3.28Å; T648-D650 VanDerWaalsContact C-N 3.32Å; T648-D650 PolarHBondContact O-N 3.38Å; T648-D650 VanDerWaalsContact O-N 3.14Å; T648-Y651 HydrophobicContact CG2-CD2 4.12Å; T648-Y651 CarbonylContact O-C 3.53Å; T648-Y651 PolarHBondContact O-N 3.26Å; T648-I652 PolarHBondContact O-N 3.09Å
649P88.3Confident89.2Confident27 Ų2743.7 Ų43.718%0.17526%0.259CS..THydrogen-bonded Turntrans-52.5-39.7-165.7-30.635.6000116.3W197 Y651 I652 L693 F694 I697W197-P649 HydrophobicContact CH2-CB 4.15Å; W197-P649 HydrophobicContact CH2-CG 3.69Å; W197-P649 HydrophobicContact CZ2-CG 3.99Å; W197-P649 HydrophobicContact CZ3-CG 4.17Å; P649-Y651 VanDerWaalsContact C-N 3.31Å; P649-I652 WeakPolarHBondContact O-CG2 3.5Å; P649-L693 HydrophobicContact CB-CD2 4.03Å; P649-F694 HydrophobicContact CB-CE1 4.11Å; P649-I697 VanDerWaalsContact O-CD1 3.28Å; P649-I697 WeakPolarHBondContact O-CD1 3.31Å
650D88.9Confident89.6Confident61 Ų6144 Ų4433%0.32624%0.24SC..THydrogen-bonded Turntrans-77.3-21.4-177-43.4-95.6000112.5T648T648-D650 VanDerWaalsContact C-N 3.32Å; T648-D650 PolarHBondContact O-N 3.38Å; T648-D650 VanDerWaalsContact O-N 3.14Å
651Y96.3Very high89.7Confident14 Ų1439.7 Ų39.76%0.05523%0.23CC..THydrogen-bonded Turntrans-102.7-6.4-176.9-69.9-99000113.2L611 K612 L613 T648 P649 A670 V673 L674 E677L611-Y651 WeakPolarHBondContact O-CD1 3.29Å; K612-Y651 HydrophobicContact CB-CD1 4.41Å; K612-Y651 HydrophobicContact CB-CD2 4Å; K612-Y651 HydrophobicContact CB-CE1 4.12Å; K612-Y651 HydrophobicContact CB-CE2 3.72Å; K612-Y651 HydrophobicContact CB-CG 4.33Å; L613-Y651 PolarHBondContact N-OH 2.86Å; T648-Y651 HydrophobicContact CG2-CD2 4.12Å; T648-Y651 CarbonylContact O-C 3.53Å; T648-Y651 PolarHBondContact O-N 3.26Å; P649-Y651 VanDerWaalsContact C-N 3.31Å; Y651-A670 HydrophobicContact CD1-CB 4.41Å; Y651-V673 HydrophobicContact CD1-CB 3.87Å; Y651-V673 HydrophobicContact CD1-CG1 3.57Å; Y651-V673 HydrophobicContact CD2-CG1 4.38Å; Y651-V673 HydrophobicContact CE1-CB 4.26Å; Y651-V673 HydrophobicContact CE1-CG1 3.77Å; Y651-V673 HydrophobicContact CG-CB 4.49Å; Y651-V673 HydrophobicContact CG-CG1 3.93Å; Y651-L674 HydrophobicContact CE1-CB 3.85Å; Y651-L674 HydrophobicContact CE1-CD1 4.19Å; Y651-L674 HydrophobicContact CE1-CG 4.15Å; Y651-E677 PolarHBondContact OH-OE2 3.39Å
652I93.4Very high89.8Confident3 Ų337.2 Ų37.22%0.01521%0.212CC..  trans-66.8136.7-174.1-158.1169.1000111.1W197 F645 T648 P649 I656 L657 W669 F694 I697W197-I652 HydrophobicContact CH2-CD1 3.95Å; W197-I652 HydrophobicContact CZ2-CD1 4.12Å; F645-I652 HydrophobicContact CD1-CD1 4.39Å; F645-I652 HydrophobicContact CE1-CD1 3.73Å; F645-I652 HydrophobicContact CE2-CD1 4.15Å; F645-I652 HydrophobicContact CZ-CD1 3.59Å; T648-I652 PolarHBondContact O-N 3.09Å; P649-I652 WeakPolarHBondContact O-CG2 3.5Å; I652-I656 HydrophobicContact CD1-CB 4.36Å; I652-I656 HydrophobicContact CD1-CG2 3.95Å; I652-I656 HydrophobicContact CG1-CB 4.03Å; I652-I656 HydrophobicContact CG1-CD1 3.95Å; I652-I656 HydrophobicContact CG1-CG2 4.11Å; I652-L657 HydrophobicContact CD1-CD2 4.02Å; I652-L657 HydrophobicContact CG1-CD2 4.49Å; I652-L657 HydrophobicContact CG2-CD1 4.06Å; I652-L657 HydrophobicContact CG2-CD2 3.78Å; I652-L657 HydrophobicContact CG2-CG 3.94Å; I652-W669 PolarHBondContact O-NE1 2.76Å; I652-F694 HydrophobicContact CG2-CD1 4.27Å; I652-F694 HydrophobicContact CG2-CE1 3.98Å; I652-I697 HydrophobicContact CG2-CD1 4Å; I652-I697 WeakPolarHBondContact O-CG2 3.19Å
653A97Very high90Very high1 Ų137 Ų371%0.00821%0.214CC..  trans-79.8143.5-177.800000111.7E655 I656 L657 V666 W669A653-E655 HydrophobicContact CB-CG 4.25Å; A653-E655 PolarHBondContact O-N 3.42Å; A653-I656 HydrophobicContact CB-CD1 4.23Å; A653-I656 HydrophobicContact CB-CG1 4.26Å; A653-I656 WeakPolarHBondContact O-CB 3.49Å; A653-I656 PolarHBondContact O-N 3.46Å; A653-L657 PolarHBondContact O-N 3.21Å; A653-V666 HydrophobicContact CB-CB 3.86Å; A653-V666 HydrophobicContact CB-CG1 3.82Å; A653-W669 VanDerWaalsContact CA-CD1 3.47Å; A653-W669 HydrophobicContact CB-CB 3.95Å; A653-W669 HydrophobicContact CB-CG 3.82Å
654P96.5Very high90.4Very high11 Ų1135.5 Ų35.57%0.07120%0.197CC..Hα-helixtrans-63.8-24.3-176.523.4-33.1000113.4I656 L657 A658 W669 I697 K722P654-I656 VanDerWaalsContact C-N 3.31Å; P654-I656 PolarHBondContact O-N 3.38Å; P654-L657 PolarHBondContact O-N 3.25Å; P654-A658 WeakPolarHBondContact O-CB 3.47Å; P654-A658 PolarHBondContact O-N 2.99Å; P654-W669 HydrophobicContact CG-CD2 4.43Å; P654-W669 HydrophobicContact CG-CE3 4.11Å; P654-W669 HydrophobicContact CG-CH2 4Å; P654-W669 HydrophobicContact CG-CZ2 4.32Å; P654-W669 HydrophobicContact CG-CZ3 3.87Å; P654-I697 HydrophobicContact CB-CG2 4.39Å; P654-K722 HydrophobicContact CG-CB 4.28Å; P654-K722 HydrophobicContact CG-CD 4.37Å; P654-K722 WeakPolarHBondContact CG-O 3.25Å
655E96Very high90.9Very high4 Ų432.9 Ų32.92%0.01918%0.182CC..Hα-helixtrans-65.1-30.4169.860.6-100-135.800113.7A653 L660 S665 V666 P724 R727A653-E655 HydrophobicContact CB-CG 4.25Å; A653-E655 PolarHBondContact O-N 3.42Å; E655-L660 HydrophobicContact CB-CB 4.27Å; E655-L660 HydrophobicContact CB-CD1 4.27Å; E655-L660 WeakPolarHBondContact O-CB 3.4Å; E655-L660 PolarHBondContact O-N 3.17Å; E655-S665 WeakPolarHBondContact OE1-CB 3.37Å; E655-S665 PolarHBondContact OE1-OG 2.99Å; E655-V666 HydrophobicContact CG-CG1 4.02Å; E655-P724 HydrophobicContact CB-CG 4.3Å; E655-P724 HydrophobicContact CG-CG 4.49Å; E655-R727 VanDerWaalsContact CD-NH1 3.3Å; E655-R727 IonicContact OE1-CZ 2.74Å; E655-R727 IonicContact OE1-NH1 3.51Å; E655-R727 PolarHBondContact OE1-NH1 2.89Å; E655-R727 IonicContact OE1-NH2 2.88Å; E655-R727 IonicContact OE2-CZ 3.41Å; E655-R727 IonicContact OE2-NH1 2.99Å; E655-R727 PolarHBondContact OE2-NH1 2.73Å; E655-R727 VanDerWaalsContact OE2-NH1 3.1Å; E655-R727 IonicContact OE2-NH2 3.4Å; E655-R727 PolarHBondContact OE2-NH2 3.13Å
656I92.4Very high91.4Very high8 Ų829.4 Ų29.44%0.04117%0.167CC..Hα-helixtrans-72.8-41.7175.2-52.2175.4000109.7F645 I652 A653 P654 A658 E659 Y662 V666F645-I656 HydrophobicContact CD2-CG2 3.79Å; F645-I656 HydrophobicContact CE2-CG2 4.19Å; F645-I656 HydrophobicContact CG-CG2 4.19Å; I652-I656 HydrophobicContact CD1-CB 4.36Å; I652-I656 HydrophobicContact CD1-CG2 3.95Å; I652-I656 HydrophobicContact CG1-CB 4.03Å; I652-I656 HydrophobicContact CG1-CD1 3.95Å; I652-I656 HydrophobicContact CG1-CG2 4.11Å; A653-I656 HydrophobicContact CB-CD1 4.23Å; A653-I656 HydrophobicContact CB-CG1 4.26Å; A653-I656 WeakPolarHBondContact O-CB 3.49Å; A653-I656 PolarHBondContact O-N 3.46Å; P654-I656 VanDerWaalsContact C-N 3.31Å; P654-I656 PolarHBondContact O-N 3.38Å; I656-A658 VanDerWaalsContact C-N 3.26Å; I656-A658 PolarHBondContact O-N 2.95Å; I656-E659 PolarHBondContact O-N 2.97Å; I656-E659 VanDerWaalsContact O-N 3.15Å; I656-Y662 HydrophobicContact CD1-CE1 4.37Å; I656-Y662 HydrophobicContact CG1-CD1 3.83Å; I656-Y662 HydrophobicContact CG1-CE1 3.93Å; I656-Y662 HydrophobicContact CG1-CG 4.25Å; I656-Y662 HydrophobicContact CG2-CE1 4.43Å; I656-V666 HydrophobicContact CD1-CB 4.14Å; I656-V666 HydrophobicContact CD1-CG1 3.88Å; I656-V666 HydrophobicContact CG1-CG1 3.94Å
657L90.8Very high92.2Very high31 Ų3129.1 Ų29.116%0.16217%0.165CC..Hα-helixtrans-63.8-30.7175.3-63.1-177.5000112.9F645 I652 A653 P654 E659 F694 I697F645-L657 HydrophobicContact CE2-CD2 4Å; F645-L657 HydrophobicContact CZ-CD2 3.87Å; I652-L657 HydrophobicContact CD1-CD2 4.02Å; I652-L657 HydrophobicContact CG1-CD2 4.49Å; I652-L657 HydrophobicContact CG2-CD1 4.06Å; I652-L657 HydrophobicContact CG2-CD2 3.78Å; I652-L657 HydrophobicContact CG2-CG 3.94Å; A653-L657 PolarHBondContact O-N 3.21Å; P654-L657 PolarHBondContact O-N 3.25Å; L657-E659 VanDerWaalsContact C-N 3.26Å; L657-E659 PolarHBondContact O-N 2.84Å; L657-F694 HydrophobicContact CD1-CB 3.86Å; L657-F694 HydrophobicContact CD1-CD1 4.04Å; L657-F694 HydrophobicContact CD1-CG 4.04Å; L657-F694 HydrophobicContact CD2-CB 4.15Å; L657-F694 HydrophobicContact CD2-CD1 3.73Å; L657-F694 HydrophobicContact CD2-CD2 3.75Å; L657-F694 HydrophobicContact CD2-CE1 4.02Å; L657-F694 HydrophobicContact CD2-CE2 4.04Å; L657-F694 HydrophobicContact CD2-CG 3.59Å; L657-F694 HydrophobicContact CD2-CZ 4.18Å; L657-F694 HydrophobicContact CG-CG 4.48Å; L657-I697 HydrophobicContact CD1-CB 3.84Å; L657-I697 HydrophobicContact CD1-CG2 3.48Å; L657-I697 VanDerWaalsContact CD1-CG2 3.48Å
658A89.5Confident93.1Very high58 Ų5829 Ų2948%0.47916%0.164SC..THydrogen-bonded Turntrans-85.112.6175.600000114.2P654 I656 L660P654-A658 WeakPolarHBondContact O-CB 3.47Å; P654-A658 PolarHBondContact O-N 2.99Å; I656-A658 VanDerWaalsContact C-N 3.26Å; I656-A658 PolarHBondContact O-N 2.95Å; A658-L660 HydrophobicContact CB-CD1 4.16Å; A658-L660 HydrophobicContact CB-CG 3.94Å; A658-L660 PolarHBondContact O-N 3.35Å
659E88.3Confident93.9Very high93 Ų9328.5 Ų28.544%0.43516%0.16SC..THydrogen-bonded Turntrans54.330.1-178.1-59.4-179.2-173.600114A162 L163 I656 L657A162-E659 WeakPolarHBondContact CB-OE2 3.46Å; L163-E659 WeakPolarHBondContact CD1-OE1 3.31Å; I656-E659 PolarHBondContact O-N 2.97Å; I656-E659 VanDerWaalsContact O-N 3.15Å; L657-E659 VanDerWaalsContact C-N 3.26Å; L657-E659 PolarHBondContact O-N 2.84Å
660L90.2Very high94.4Very high93 Ų9327.4 Ų27.449%0.48715%0.154SC..  trans-88.5145.3-178.7-56.8179.7000112.1E655 A658 Y662E655-L660 HydrophobicContact CB-CB 4.27Å; E655-L660 HydrophobicContact CB-CD1 4.27Å; E655-L660 WeakPolarHBondContact O-CB 3.4Å; E655-L660 PolarHBondContact O-N 3.17Å; A658-L660 HydrophobicContact CB-CD1 4.16Å; A658-L660 HydrophobicContact CB-CG 3.94Å; A658-L660 PolarHBondContact O-N 3.35Å; L660-Y662 PolarHBondContact O-N 3.35Å
661D91.5Very high94.9Very high94 Ų9424.5 Ų24.550%0.50314%0.138SC..  trans-58.7120.8165.9-75.5-22.9000110
662Y94Very high95Very high8 Ų823.9 Ų23.93%0.03114%0.136CC..BIsolated β-bridgetrans-123.3172.1-173.468.2-98.3000113.7R609 S641 T642 T644 I656 L660 V666R609-Y662 VanDerWaalsContact CD-OH 3.32Å; R609-Y662 WeakPolarHBondContact CD-OH 3.4Å; R609-Y662 HydrophobicContact CG-CE2 4.34Å; R609-Y662 PolarHBondContact NH1-OH 3.27Å; S641-Y662 CarbonylContact C-O 3.46Å; S641-Y662 VanDerWaalsContact CA-O 3.26Å; S641-Y662 WeakPolarHBondContact CA-O 3.42Å; S641-Y662 WeakPolarHBondContact CB-O 3.46Å; T642-Y662 HydrophobicContact CG2-CD2 4.07Å; T642-Y662 HydrophobicContact CG2-CE1 4.17Å; T642-Y662 HydrophobicContact CG2-CE2 3.46Å; T642-Y662 VanDerWaalsContact CG2-CE2 3.46Å; T642-Y662 PolarHBondContact N-O 2.79Å; T642-Y662 WeakPolarHBondContact O-CD1 3.44Å; T642-Y662 WeakPolarHBondContact O-CE1 3.4Å; T642-Y662 PolarHBondContact O-N 2.88Å; T644-Y662 WeakPolarHBondContact O-CE1 3.41Å; T644-Y662 PolarHBondContact O-OH 2.94Å; I656-Y662 HydrophobicContact CD1-CE1 4.37Å; I656-Y662 HydrophobicContact CG1-CD1 3.83Å; I656-Y662 HydrophobicContact CG1-CE1 3.93Å; I656-Y662 HydrophobicContact CG1-CG 4.25Å; I656-Y662 HydrophobicContact CG2-CE1 4.43Å; L660-Y662 PolarHBondContact O-N 3.35Å; Y662-V666 HydrophobicContact CD2-CB 4.39Å; Y662-V666 HydrophobicContact CD2-CG1 3.46Å; Y662-V666 VanDerWaalsContact CD2-CG1 3.46Å; Y662-V666 HydrophobicContact CD2-CG2 4Å; Y662-V666 HydrophobicContact CE2-CG1 4.2Å; Y662-V666 HydrophobicContact CE2-CG2 4.12Å; Y662-V666 HydrophobicContact CG-CG1 3.74Å
663G94.6Very high95.2Very high17 Ų1723.7 Ų23.718%0.17514%0.135CC..  trans-147.3-145.9176.300000111.4S665 V666G663-S665 PolarHBondContact O-N 3.04Å; G663-V666 PolarHBondContact O-N 3.49Å
664F95.8Very high95.3Very high50 Ų5023.7 Ų23.722%0.21914%0.135CC..THydrogen-bonded Turntrans-55.3-14.8-179.3-52.9-46.8000115.5H602 I606 V607 M636 V666 D667 W668H602-F664 HydrophobicContact CB-CD1 4.04Å; H602-F664 HydrophobicContact CB-CD2 4.25Å; H602-F664 HydrophobicContact CB-CE1 4.07Å; H602-F664 HydrophobicContact CB-CE2 4.27Å; H602-F664 HydrophobicContact CB-CG 4.16Å; H602-F664 HydrophobicContact CB-CZ 4.19Å; H602-F664 AromaticContact CD2-CD1 3.52Å; H602-F664 AromaticContact CG-CD1 3.6Å; H602-F664 AromaticContact CG-CG 3.75Å; H602-F664 AromaticContact ND1-CG 3.8Å; H602-F664 AromaticContact NE2-CD1 3.95Å; I606-F664 WeakPolarHBondContact O-CE1 3.33Å; V607-F664 HydrophobicContact CB-CD1 3.9Å; V607-F664 HydrophobicContact CB-CE1 4.16Å; V607-F664 HydrophobicContact CG2-CD1 4.2Å; M636-F664 HydrophobicContact CB-CE1 3.76Å; M636-F664 HydrophobicContact CB-CZ 3.78Å; M636-F664 VanDerWaalsContact O-CZ 3.26Å; M636-F664 WeakPolarHBondContact O-CZ 3.49Å; F664-V666 PolarHBondContact O-N 2.92Å; F664-D667 PolarHBondContact O-N 3.43Å; F664-W668 PolarHBondContact O-N 3.36Å
665S96.5Very high95.4Very high17 Ų1723.2 Ų23.212%0.11913%0.132CC..Hα-helixtrans-57.7-27.817759.60000114E655 G663 W669 R727 C730E655-S665 WeakPolarHBondContact OE1-CB 3.37Å; E655-S665 PolarHBondContact OE1-OG 2.99Å; G663-S665 PolarHBondContact O-N 3.04Å; S665-W669 PolarHBondContact O-N 3.27Å; S665-W669 VanDerWaalsContact O-N 3.09Å; S665-R727 PolarHBondContact O-NH1 3.33Å; S665-C730 VanDerWaalsContact CA-SG 3.58Å; S665-C730 VanDerWaalsContact CB-SG 3.57Å
666V97.7Very high95.5Very high6 Ų624.1 Ų24.14%0.03614%0.135CC..Hα-helixtrans-73.2-35.4-177.7-52.10000112.2V607 R609 A653 E655 I656 Y662 G663 F664 W669 A670V607-V666 HydrophobicContact CG2-CG2 3.98Å; R609-V666 HydrophobicContact CG-CG2 4.26Å; A653-V666 HydrophobicContact CB-CB 3.86Å; A653-V666 HydrophobicContact CB-CG1 3.82Å; E655-V666 HydrophobicContact CG-CG1 4.02Å; I656-V666 HydrophobicContact CD1-CB 4.14Å; I656-V666 HydrophobicContact CD1-CG1 3.88Å; I656-V666 HydrophobicContact CG1-CG1 3.94Å; Y662-V666 HydrophobicContact CD2-CB 4.39Å; Y662-V666 HydrophobicContact CD2-CG1 3.46Å; Y662-V666 VanDerWaalsContact CD2-CG1 3.46Å; Y662-V666 HydrophobicContact CD2-CG2 4Å; Y662-V666 HydrophobicContact CE2-CG1 4.2Å; Y662-V666 HydrophobicContact CE2-CG2 4.12Å; Y662-V666 HydrophobicContact CG-CG1 3.74Å; G663-V666 PolarHBondContact O-N 3.49Å; F664-V666 PolarHBondContact O-N 2.92Å; V666-W669 WeakPolarHBondContact O-CB 3.5Å; V666-W669 PolarHBondContact O-N 3.09Å; V666-A670 PolarHBondContact O-N 3.1Å
667D98.3Very high95.6Very high1 Ų124.9 Ų24.91%0.00514%0.138CC..Hα-helixtrans-71.2-35.9176.7-67.2-30000110.9L598 H602 V607 Y608 R609 F664 W669 A670 L671L598-D667 HydrophobicContact CD1-CB 4.4Å; L598-D667 HydrophobicContact CD2-CB 4.03Å; H602-D667 IonicContact NE2-OD2 2.9Å; H602-D667 PolarHBondContact NE2-OD2 3.31Å; V607-D667 WeakPolarHBondContact CG2-OD2 3.34Å; Y608-D667 PolarHBondContact N-OD2 2.88Å; R609-D667 WeakPolarHBondContact CA-OD1 3.47Å; R609-D667 PolarHBondContact N-OD1 2.62Å; F664-D667 PolarHBondContact O-N 3.43Å; D667-W669 VanDerWaalsContact C-N 3.33Å; D667-W669 PolarHBondContact O-N 3.48Å; D667-A670 PolarHBondContact O-N 2.72Å; D667-L671 WeakPolarHBondContact O-CB 3.36Å; D667-L671 PolarHBondContact O-N 2.77Å
668W98.4Very high95.9Very high1 Ų123.4 Ų23.40%0.00413%0.131CC..Hα-helixtrans-69.2-26.9172.1-60.7130.4000113.6I595 L598 M599 H602 F664 L671 G672 F719 E737 I740I595-W668 HydrophobicContact CG1-CZ3 4.07Å; I595-W668 HydrophobicContact CG2-CH2 4.43Å; L598-W668 HydrophobicContact CB-CH2 3.73Å; L598-W668 HydrophobicContact CB-CZ2 4.39Å; L598-W668 HydrophobicContact CB-CZ3 4.08Å; L598-W668 HydrophobicContact CD1-CE3 4.07Å; L598-W668 HydrophobicContact CD1-CH2 4.16Å; L598-W668 HydrophobicContact CD1-CZ3 3.63Å; M599-W668 HydrophobicContact CG-CH2 3.9Å; M599-W668 HydrophobicContact CG-CZ2 4.08Å; H602-W668 AromaticContact CE1-CE2 3.54Å; H602-W668 AromaticContact CE1-CZ2 3.54Å; H602-W668 AromaticContact CE1-NE1 3.59Å; H602-W668 AromaticContact ND1-CE2 3.8Å; H602-W668 AromaticContact ND1-CZ2 3.56Å; H602-W668 AromaticContact ND1-NE1 3.71Å; F664-W668 PolarHBondContact O-N 3.36Å; W668-L671 HydrophobicContact CE3-CD2 3.76Å; W668-L671 HydrophobicContact CZ3-CD2 3.76Å; W668-G672 PolarHBondContact O-N 2.92Å; W668-F719 HydrophobicContact CB-CD1 4.22Å; W668-F719 HydrophobicContact CB-CE1 4.22Å; W668-F719 HydrophobicContact CE3-CE1 4.12Å; W668-F719 WeakPolarHBondContact O-CD1 3.47Å; W668-E737 HydrophobicContact CZ2-CB 4.29Å; W668-E737 HydrophobicContact CZ2-CG 4.05Å; W668-E737 WeakPolarHBondContact CZ2-OE1 3.35Å; W668-E737 PolarHBondContact NE1-OE1 2.94Å; W668-I740 HydrophobicContact CD2-CD1 3.56Å; W668-I740 HydrophobicContact CE3-CD1 3.48Å; W668-I740 VanDerWaalsContact CE3-CD1 3.48Å; W668-I740 HydrophobicContact CG-CD1 4.34Å; W668-I740 HydrophobicContact CH2-CD1 3.71Å; W668-I740 HydrophobicContact CZ2-CD1 3.74Å; W668-I740 HydrophobicContact CZ3-CD1 3.57Å
669W98.6Very high96.2Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-71.1-50168.1170.2-86.6000111.5I652 A653 P654 S665 V666 D667 L671 G672 V673 F685 I697 L720 K722I652-W669 PolarHBondContact O-NE1 2.76Å; A653-W669 VanDerWaalsContact CA-CD1 3.47Å; A653-W669 HydrophobicContact CB-CB 3.95Å; A653-W669 HydrophobicContact CB-CG 3.82Å; P654-W669 HydrophobicContact CG-CD2 4.43Å; P654-W669 HydrophobicContact CG-CE3 4.11Å; P654-W669 HydrophobicContact CG-CH2 4Å; P654-W669 HydrophobicContact CG-CZ2 4.32Å; P654-W669 HydrophobicContact CG-CZ3 3.87Å; S665-W669 PolarHBondContact O-N 3.27Å; S665-W669 VanDerWaalsContact O-N 3.09Å; V666-W669 WeakPolarHBondContact O-CB 3.5Å; V666-W669 PolarHBondContact O-N 3.09Å; D667-W669 VanDerWaalsContact C-N 3.33Å; D667-W669 PolarHBondContact O-N 3.48Å; W669-L671 VanDerWaalsContact C-N 3.25Å; W669-L671 PolarHBondContact O-N 2.65Å; W669-G672 WeakPolarHBondContact O-CA 3.47Å; W669-G672 PolarHBondContact O-N 3.28Å; W669-V673 PolarHBondContact O-N 3.3Å; W669-F685 AromaticContact CH2-CE2 3.74Å; W669-F685 HydrophobicContact CH2-CE2 3.74Å; W669-F685 AromaticContact CH2-CZ 3.9Å; W669-F685 HydrophobicContact CH2-CZ 3.9Å; W669-F685 HydrophobicContact CZ2-CD2 4.36Å; W669-F685 AromaticContact CZ2-CE2 3.51Å; W669-F685 HydrophobicContact CZ2-CE2 3.51Å; W669-F685 HydrophobicContact CZ2-CZ 4.15Å; W669-I697 HydrophobicContact CZ2-CG2 3.94Å; W669-L720 HydrophobicContact CD2-CD2 4.29Å; W669-L720 HydrophobicContact CE3-CD2 4.28Å; W669-L720 HydrophobicContact CH2-CD2 4.28Å; W669-L720 HydrophobicContact CZ2-CD2 4.28Å; W669-L720 HydrophobicContact CZ3-CB 4.3Å; W669-L720 HydrophobicContact CZ3-CD2 4.29Å; W669-L720 WeakPolarHBondContact CZ3-O 3.37Å; W669-K722 HydrophobicContact CH2-CD 3.93Å; W669-K722 HydrophobicContact CZ3-CD 4.19Å
670A98.6Very high96.3Very high5 Ų517.3 Ų17.34%0.04110%0.096CC..Hα-helixtrans-61.1-34.5-179.500000112L611 Y651 V666 D667 G672 V673 L674L611-A670 HydrophobicContact CB-CB 3.91Å; L611-A670 HydrophobicContact CD2-CB 4.32Å; Y651-A670 HydrophobicContact CD1-CB 4.41Å; V666-A670 PolarHBondContact O-N 3.1Å; D667-A670 PolarHBondContact O-N 2.72Å; A670-G672 VanDerWaalsContact C-N 3.34Å; A670-G672 PolarHBondContact O-N 3.17Å; A670-V673 WeakPolarHBondContact O-CB 3.31Å; A670-V673 PolarHBondContact O-N 2.98Å; A670-L674 WeakPolarHBondContact O-CB 3.4Å; A670-L674 PolarHBondContact O-N 2.8Å
671L98.6Very high96.1Very high0 Ų014.6 Ų14.60%09%0.091CC..Hα-helixtrans-62.5-39.3170.8179.463.9000112A591 V594 I595 L611 D667 W668 W669 L674 M675 F719A591-L671 HydrophobicContact CB-CD1 4.47Å; V594-L671 HydrophobicContact CB-CD1 4.45Å; V594-L671 HydrophobicContact CG1-CD1 3.96Å; I595-L671 HydrophobicContact CD1-CD2 4.01Å; I595-L671 HydrophobicContact CG1-CD2 3.49Å; I595-L671 VanDerWaalsContact CG1-CD2 3.49Å; L611-L671 HydrophobicContact CD2-CB 4Å; D667-L671 WeakPolarHBondContact O-CB 3.36Å; D667-L671 PolarHBondContact O-N 2.77Å; W668-L671 HydrophobicContact CE3-CD2 3.76Å; W668-L671 HydrophobicContact CZ3-CD2 3.76Å; W669-L671 VanDerWaalsContact C-N 3.25Å; W669-L671 PolarHBondContact O-N 2.65Å; L671-L674 PolarHBondContact O-N 2.81Å; L671-M675 HydrophobicContact CD1-CG 4.14Å; L671-M675 HydrophobicContact CD1-SD 4.36Å; L671-M675 HydrophobicContact CG-CG 4.36Å; L671-M675 HydrophobicContact CG-SD 4.15Å; L671-M675 VanDerWaalsContact O-CB 3.31Å; L671-M675 WeakPolarHBondContact O-CB 3.03Å; L671-M675 VanDerWaalsContact O-CG 3.27Å; L671-M675 WeakPolarHBondContact O-CG 3.02Å; L671-M675 PolarHBondContact O-N 2.76Å; L671-F719 HydrophobicContact CD2-CE1 4.18Å; L671-F719 HydrophobicContact CD2-CE2 4.17Å; L671-F719 HydrophobicContact CD2-CZ 3.68Å; L671-F719 HydrophobicContact CG-CE2 4.5Å; L671-F719 HydrophobicContact CG-CZ 4.39Å
672G98.5Very high96Very high0 Ų011.9 Ų11.90%08%0.081CC..Hα-helixtrans-61.4-42173.400000112.8W668 W669 A670 Y676 L716W668-G672 PolarHBondContact O-N 2.92Å; W669-G672 WeakPolarHBondContact O-CA 3.47Å; W669-G672 PolarHBondContact O-N 3.28Å; A670-G672 VanDerWaalsContact C-N 3.34Å; A670-G672 PolarHBondContact O-N 3.17Å; G672-Y676 WeakPolarHBondContact O-CB 3.18Å; G672-Y676 PolarHBondContact O-N 2.86Å; G672-L716 WeakPolarHBondContact O-CD2 3.34Å
673V98.4Very high95.9Very high0 Ų012.9 Ų12.90%09%0.088CC..Hα-helixtrans-62.4-49173.71750000110.5Y651 W669 A670 M675 Y676 E677 P684 L720Y651-V673 HydrophobicContact CD1-CB 3.87Å; Y651-V673 HydrophobicContact CD1-CG1 3.57Å; Y651-V673 HydrophobicContact CD2-CG1 4.38Å; Y651-V673 HydrophobicContact CE1-CB 4.26Å; Y651-V673 HydrophobicContact CE1-CG1 3.77Å; Y651-V673 HydrophobicContact CG-CB 4.49Å; Y651-V673 HydrophobicContact CG-CG1 3.93Å; W669-V673 PolarHBondContact O-N 3.3Å; A670-V673 WeakPolarHBondContact O-CB 3.31Å; A670-V673 PolarHBondContact O-N 2.98Å; V673-M675 PolarHBondContact O-N 3.08Å; V673-Y676 WeakPolarHBondContact O-CB 3.39Å; V673-Y676 PolarHBondContact O-N 2.88Å; V673-Y676 VanDerWaalsContact O-N 3.17Å; V673-E677 PolarHBondContact O-N 2.91Å; V673-P684 HydrophobicContact CB-CG 4.35Å; V673-P684 HydrophobicContact CG1-CG 4.15Å; V673-P684 HydrophobicContact CG2-CG 4.06Å; V673-L720 HydrophobicContact CG2-CD2 3.87Å
674L98Very high95.9Very high1 Ų112.7 Ų12.71%0.0058%0.084CC..Hα-helixtrans-62.4-42.8-179.1-157.5149.9000112.2L611 L613 I616 Y651 A670 L671 E677 M678L611-L674 HydrophobicContact CD1-CD1 4Å; L611-L674 HydrophobicContact CD2-CD1 4.44Å; L611-L674 HydrophobicContact CG-CD1 3.79Å; L613-L674 HydrophobicContact CD2-CD1 4.46Å; L613-L674 HydrophobicContact CD2-CD2 3.66Å; L613-L674 HydrophobicContact CD2-CG 3.83Å; L613-L674 HydrophobicContact CG-CG 4.2Å; I616-L674 HydrophobicContact CD1-CD1 3.51Å; I616-L674 HydrophobicContact CD1-CD2 4.02Å; I616-L674 HydrophobicContact CD1-CG 4.41Å; Y651-L674 HydrophobicContact CE1-CB 3.85Å; Y651-L674 HydrophobicContact CE1-CD1 4.19Å; Y651-L674 HydrophobicContact CE1-CG 4.15Å; A670-L674 WeakPolarHBondContact O-CB 3.4Å; A670-L674 PolarHBondContact O-N 2.8Å; L671-L674 PolarHBondContact O-N 2.81Å; L674-E677 PolarHBondContact O-N 2.76Å; L674-M678 HydrophobicContact CD2-CE 3.77Å; L674-M678 HydrophobicContact CD2-CG 4.15Å; L674-M678 HydrophobicContact CD2-SD 4.01Å; L674-M678 WeakPolarHBondContact O-CB 3.1Å; L674-M678 WeakPolarHBondContact O-CG 3.45Å; L674-M678 PolarHBondContact O-N 3.25Å
675M98.3Very high95.9Very high0 Ų010.7 Ų10.70%08%0.075CC..Hα-helixtrans-64.5-39.6174.2-76.4-176.562.900112.2A591 L671 V673 M678 M679 I715 L716 F719 F745 F746A591-M675 HydrophobicContact CB-CE 4.37Å; A591-M675 HydrophobicContact CB-CG 3.8Å; A591-M675 HydrophobicContact CB-SD 3.82Å; L671-M675 HydrophobicContact CD1-CG 4.14Å; L671-M675 HydrophobicContact CD1-SD 4.36Å; L671-M675 HydrophobicContact CG-CG 4.36Å; L671-M675 HydrophobicContact CG-SD 4.15Å; L671-M675 VanDerWaalsContact O-CB 3.31Å; L671-M675 WeakPolarHBondContact O-CB 3.03Å; L671-M675 VanDerWaalsContact O-CG 3.27Å; L671-M675 WeakPolarHBondContact O-CG 3.02Å; L671-M675 PolarHBondContact O-N 2.76Å; V673-M675 PolarHBondContact O-N 3.08Å; M675-M678 HydrophobicContact CG-CE 4.29Å; M675-M679 HydrophobicContact CB-CE 4.12Å; M675-M679 HydrophobicContact CE-CE 4.16Å; M675-M679 WeakPolarHBondContact O-CE 3.46Å; M675-M679 WeakPolarHBondContact O-CG 3.44Å; M675-M679 PolarHBondContact O-N 3.4Å; M675-I715 HydrophobicContact CE-CD1 4.32Å; M675-I715 HydrophobicContact CE-CG2 3.69Å; M675-L716 HydrophobicContact CB-CD2 3.64Å; M675-F719 HydrophobicContact SD-CD2 4.22Å; M675-F719 HydrophobicContact SD-CE2 3.81Å; M675-F745 HydrophobicContact CE-CD1 3.82Å; M675-F745 HydrophobicContact CE-CE1 3.42Å; M675-F745 VanDerWaalsContact CE-CE1 3.42Å; M675-F745 HydrophobicContact CE-CZ 4.07Å; M675-F746 HydrophobicContact CE-CZ 4.29Å; M675-F746 HydrophobicContact SD-CZ 4.4Å
676Y97.9Very high95.2Very high23 Ų2315.6 Ų15.69%0.0910%0.096CC..Hα-helixtrans-62.8-50.9174.1-177.6-78.5000110.1G672 V673 M678 M679 A680 A682 P683 P684 V702 T703 Y704 L716G672-Y676 WeakPolarHBondContact O-CB 3.18Å; G672-Y676 PolarHBondContact O-N 2.86Å; V673-Y676 WeakPolarHBondContact O-CB 3.39Å; V673-Y676 PolarHBondContact O-N 2.88Å; V673-Y676 VanDerWaalsContact O-N 3.17Å; Y676-M678 VanDerWaalsContact C-N 3.35Å; Y676-M678 PolarHBondContact O-N 3.47Å; Y676-M679 PolarHBondContact O-N 2.95Å; Y676-M679 VanDerWaalsContact O-N 3.09Å; Y676-A680 HydrophobicContact CD1-CB 3.83Å; Y676-A680 HydrophobicContact CE1-CB 3.45Å; Y676-A680 VanDerWaalsContact CE1-CB 3.45Å; Y676-A680 VanDerWaalsContact O-CB 3.25Å; Y676-A680 WeakPolarHBondContact O-CB 3.38Å; Y676-A680 PolarHBondContact O-N 2.89Å; Y676-A682 WeakPolarHBondContact CD1-O 3.38Å; Y676-A682 WeakPolarHBondContact CE1-O 3.48Å; Y676-P683 VanDerWaalsContact CE1-C 3.42Å; Y676-P683 VanDerWaalsContact CE1-O 3.31Å; Y676-P683 WeakPolarHBondContact CE1-O 3.29Å; Y676-P684 HydrophobicContact CD1-CB 3.72Å; Y676-P684 HydrophobicContact CD1-CG 4.19Å; Y676-P684 VanDerWaalsContact CD1-N 3.34Å; Y676-P684 HydrophobicContact CD2-CB 3.93Å; Y676-P684 VanDerWaalsContact CE1-CA 3.44Å; Y676-P684 HydrophobicContact CE1-CB 4Å; Y676-P684 HydrophobicContact CE2-CB 4.19Å; Y676-P684 HydrophobicContact CG-CB 3.7Å; Y676-P684 HydrophobicContact CG-CG 4.23Å; Y676-V702 HydrophobicContact CD2-CG1 3.93Å; Y676-V702 HydrophobicContact CE2-CG1 3.66Å; Y676-T703 PolarHBondContact OH-O 2.85Å; Y676-Y704 HydrophobicContact CD2-CD1 4.26Å; Y676-Y704 HydrophobicContact CD2-CE1 4.3Å; Y676-Y704 HydrophobicContact CE2-CD1 4.11Å; Y676-Y704 HydrophobicContact CE2-CE1 4.45Å; Y676-L716 HydrophobicContact CD2-CD1 4.14Å
677E95.7Very high94.2Very high24 Ų2417.2 Ų17.211%0.11212%0.115CC..Hα-helixtrans-59.6-44.3-178.4-166.2179.3168.300111.6I576 L613 Y651 V673 L674 M679 G681 A682I576-E677 HydrophobicContact CD1-CG 4.48Å; I576-E677 VanDerWaalsContact CD1-O 3.31Å; I576-E677 WeakPolarHBondContact CD1-O 3.4Å; L613-E677 HydrophobicContact CD1-CB 4.45Å; L613-E677 VanDerWaalsContact CD1-CD 3.49Å; L613-E677 HydrophobicContact CD1-CG 3.98Å; Y651-E677 PolarHBondContact OH-OE2 3.39Å; V673-E677 PolarHBondContact O-N 2.91Å; L674-E677 PolarHBondContact O-N 2.76Å; E677-M679 VanDerWaalsContact C-N 3.32Å; E677-M679 PolarHBondContact O-N 3.01Å; E677-G681 WeakPolarHBondContact O-CA 3.38Å; E677-G681 PolarHBondContact O-N 2.99Å; E677-A682 WeakPolarHBondContact CA-O 3.48Å
678M95.8Very high93.1Very high0 Ų023.3 Ų23.30%015%0.147CC..Hα-helixtrans-55.5-41.1174.1-76.8-164.2-61.600113.6L572 F582 A587 Y590 A591 L613 L674 M675 Y676L572-M678 HydrophobicContact CD1-SD 4.46Å; F582-M678 HydrophobicContact CD2-CB 4.03Å; F582-M678 HydrophobicContact CD2-CG 3.75Å; F582-M678 HydrophobicContact CD2-SD 3.72Å; F582-M678 HydrophobicContact CE2-CG 3.98Å; F582-M678 HydrophobicContact CE2-SD 3.93Å; F582-M678 PolarHBondContact N-O 2.97Å; A587-M678 HydrophobicContact CB-CB 4.02Å; A587-M678 HydrophobicContact CB-CE 4.03Å; A587-M678 HydrophobicContact CB-SD 4.43Å; A587-M678 WeakPolarHBondContact O-CE 3.26Å; Y590-M678 HydrophobicContact CD2-SD 4.08Å; A591-M678 HydrophobicContact CB-CE 4.3Å; L613-M678 HydrophobicContact CD2-CG 3.87Å; L674-M678 HydrophobicContact CD2-CE 3.77Å; L674-M678 HydrophobicContact CD2-CG 4.15Å; L674-M678 HydrophobicContact CD2-SD 4.01Å; L674-M678 WeakPolarHBondContact O-CB 3.1Å; L674-M678 WeakPolarHBondContact O-CG 3.45Å; L674-M678 PolarHBondContact O-N 3.25Å; M675-M678 HydrophobicContact CG-CE 4.29Å; Y676-M678 VanDerWaalsContact C-N 3.35Å; Y676-M678 PolarHBondContact O-N 3.47Å
679M95.7Very high92.1Very high3 Ų325.3 Ų25.32%0.01516%0.159CC..Hα-helixtrans-95.6-25.6-172.4-65.4-174.1-77.400114R581 E584 A587 M675 Y676 E677 L708 A712 L716 F745R581-M679 WeakPolarHBondContact CD-O 3.25Å; E584-M679 HydrophobicContact CB-SD 4.36Å; E584-M679 HydrophobicContact CG-SD 3.92Å; A587-M679 HydrophobicContact CB-CG 3.41Å; A587-M679 VanDerWaalsContact CB-CG 3.41Å; A587-M679 HydrophobicContact CB-SD 3.97Å; M675-M679 HydrophobicContact CB-CE 4.12Å; M675-M679 HydrophobicContact CE-CE 4.16Å; M675-M679 WeakPolarHBondContact O-CE 3.46Å; M675-M679 WeakPolarHBondContact O-CG 3.44Å; M675-M679 PolarHBondContact O-N 3.4Å; Y676-M679 PolarHBondContact O-N 2.95Å; Y676-M679 VanDerWaalsContact O-N 3.09Å; E677-M679 VanDerWaalsContact C-N 3.32Å; E677-M679 PolarHBondContact O-N 3.01Å; M679-L708 HydrophobicContact CB-CD2 3.8Å; M679-A712 HydrophobicContact CE-CB 4.47Å; M679-A712 HydrophobicContact SD-CB 4.2Å; M679-L716 HydrophobicContact CE-CD1 3.95Å; M679-L716 HydrophobicContact CE-CD2 4.1Å; M679-L716 HydrophobicContact CE-CG 4.15Å; M679-F745 HydrophobicContact CE-CZ 4.23Å; M679-F745 HydrophobicContact SD-CE2 4.07Å; M679-F745 HydrophobicContact SD-CZ 3.89Å
680A92Very high91.1Very high21 Ų2126.6 Ų26.617%0.17417%0.166CC..Hα-helixtrans-88.7-42.2176.200000112.1Y676 P705Y676-A680 HydrophobicContact CD1-CB 3.83Å; Y676-A680 HydrophobicContact CE1-CB 3.45Å; Y676-A680 VanDerWaalsContact CE1-CB 3.45Å; Y676-A680 VanDerWaalsContact O-CB 3.25Å; Y676-A680 WeakPolarHBondContact O-CB 3.38Å; Y676-A680 PolarHBondContact O-N 2.89Å; A680-P705 HydrophobicContact CB-CG 3.98Å
681G85.5Confident90.1Very high36 Ų3628 Ų2837%0.37117%0.171SC..SBendtrans90.215.3-169.600000114.6R580 E677R580-G681 VanDerWaalsContact O-CA 3.25Å; R580-G681 WeakPolarHBondContact O-CA 3.41Å; E677-G681 WeakPolarHBondContact O-CA 3.38Å; E677-G681 PolarHBondContact O-N 2.99Å
682A88.9Confident89.5Confident36 Ų3631.3 Ų31.330%0.29819%0.189SC..SBendtrans-159.8158.4178.800000108.8Y676 E677Y676-A682 WeakPolarHBondContact CD1-O 3.38Å; Y676-A682 WeakPolarHBondContact CE1-O 3.48Å; E677-A682 WeakPolarHBondContact CA-O 3.48Å
683P92.1Very high89Confident29 Ų2931.8 Ų31.819%0.18819%0.192CC..  trans-67.6160.8176.929-36.1000112.9Y676 F685 E686Y676-P683 VanDerWaalsContact CE1-C 3.42Å; Y676-P683 VanDerWaalsContact CE1-O 3.31Å; Y676-P683 WeakPolarHBondContact CE1-O 3.29Å; P683-F685 VanDerWaalsContact C-N 3.28Å; P683-F685 PolarHBondContact O-N 3.17Å; P683-E686 HydrophobicContact CG-CG 4.14Å
684P94.7Very high88.6Confident14 Ų1432.7 Ų32.79%0.09120%0.196CC..SBendtrans-75.4-13.7179.228.5-32.5000114.4V673 Y676 V702 L720V673-P684 HydrophobicContact CB-CG 4.35Å; V673-P684 HydrophobicContact CG1-CG 4.15Å; V673-P684 HydrophobicContact CG2-CG 4.06Å; Y676-P684 HydrophobicContact CD1-CB 3.72Å; Y676-P684 HydrophobicContact CD1-CG 4.19Å; Y676-P684 VanDerWaalsContact CD1-N 3.34Å; Y676-P684 HydrophobicContact CD2-CB 3.93Å; Y676-P684 VanDerWaalsContact CE1-CA 3.44Å; Y676-P684 HydrophobicContact CE1-CB 4Å; Y676-P684 HydrophobicContact CE2-CB 4.19Å; Y676-P684 HydrophobicContact CG-CB 3.7Å; Y676-P684 HydrophobicContact CG-CG 4.23Å; P684-V702 HydrophobicContact CB-CG1 3.93Å; P684-V702 HydrophobicContact CB-CG2 4.35Å; P684-L720 HydrophobicContact CB-CD1 4.12Å; P684-L720 HydrophobicContact CG-CD1 4.36Å
685F95Very high88.3Confident8 Ų834.7 Ų34.74%0.03521%0.206CC..  trans-136.5140.4176.9-51.4-73.3000108.1W669 P683 L693 A696 I697 V702 K722W669-F685 AromaticContact CH2-CE2 3.74Å; W669-F685 HydrophobicContact CH2-CE2 3.74Å; W669-F685 AromaticContact CH2-CZ 3.9Å; W669-F685 HydrophobicContact CH2-CZ 3.9Å; W669-F685 HydrophobicContact CZ2-CD2 4.36Å; W669-F685 AromaticContact CZ2-CE2 3.51Å; W669-F685 HydrophobicContact CZ2-CE2 3.51Å; W669-F685 HydrophobicContact CZ2-CZ 4.15Å; P683-F685 VanDerWaalsContact C-N 3.28Å; P683-F685 PolarHBondContact O-N 3.17Å; F685-L693 HydrophobicContact CB-CD1 4.02Å; F685-A696 HydrophobicContact CB-CB 4.07Å; F685-A696 HydrophobicContact CD1-CB 4.22Å; F685-A696 WeakPolarHBondContact CD1-O 3.21Å; F685-I697 HydrophobicContact CB-CG1 3.86Å; F685-I697 HydrophobicContact CD2-CB 4.42Å; F685-I697 HydrophobicContact CD2-CG1 3.62Å; F685-I697 HydrophobicContact CE2-CG1 4.42Å; F685-I697 HydrophobicContact CG-CG1 3.82Å; F685-V702 HydrophobicContact CE1-CG2 3.74Å; F685-V702 HydrophobicContact CE2-CG2 4.23Å; F685-V702 HydrophobicContact CZ-CG2 3.37Å; F685-K722 VanDerWaalsContact CE1-NZ 3.27Å; F685-K722 VanDerWaalsContact CZ-NZ 3.33Å
686E82.5Confident88Confident119 Ų11934.7 Ų34.756%0.55621%0.206SC*.  trans-130.6160.2176.7-69.1-174.4174.700109.4P683P683-E686 HydrophobicContact CG-CG 4.14Å
687G77.3Confident87.8Confident41 Ų4133.6 Ų33.642%0.42320%0.202SC..  trans-163.7139.817100000112.3T689G687-T689 PolarHBondContact O-N 2.81Å; G687-T689 VanDerWaalsContact O-N 3.08Å
688D75.1Confident87.7Confident129 Ų12934 Ų3469%0.6921%0.207SC*.SBendtrans-57.2-21.6171.4-84.3-38.9000111.9
689T77.3Confident87.5Confident42 Ų4243 Ų4326%0.25824%0.242SC..SBendtrans-141.2153.3173.792.50000111.9R181 G687 Q691 D692 L693R181-T689 VanDerWaalsContact NH1-CB 3.26Å; R181-T689 PolarHBondContact NH1-OG1 3.33Å; G687-T689 PolarHBondContact O-N 2.81Å; G687-T689 VanDerWaalsContact O-N 3.08Å; T689-Q691 PolarHBondContact O-N 3.21Å; T689-Q691 PolarHBondContact OG1-N 3.46Å; T689-D692 WeakPolarHBondContact CB-OD2 3.34Å; T689-D692 VanDerWaalsContact CG2-OD2 3.25Å; T689-D692 WeakPolarHBondContact CG2-OD2 3.35Å; T689-D692 PolarHBondContact N-OD2 2.84Å; T689-D692 WeakPolarHBondContact O-CA 3.23Å; T689-D692 PolarHBondContact O-N 2.85Å; T689-D692 PolarHBondContact OG1-N 2.86Å; T689-D692 PolarHBondContact OG1-OD2 3.18Å; T689-L693 PolarHBondContact O-N 3.22Å
690E76.7Confident87.5Confident28 Ų2848.4 Ų48.413%0.13127%0.268CS..Hα-helixtrans-46.9-31.4170.7165-156.2-145.300113.4S179 R181 F694S179-E690 WeakPolarHBondContact CB-OE1 3.32Å; S179-E690 WeakPolarHBondContact CB-OE2 3.12Å; S179-E690 PolarHBondContact OG-OE1 3.22Å; R181-E690 HydrophobicContact CG-CB 4.3Å; R181-E690 IonicContact CZ-OE2 2.69Å; R181-E690 IonicContact NE-OE2 2.69Å; R181-E690 PolarHBondContact NE-OE2 3.49Å; R181-E690 IonicContact NH2-OE2 2.71Å; R181-E690 PolarHBondContact NH2-OE2 2.91Å; E690-F694 HydrophobicContact CG-CD2 4.19Å; E690-F694 HydrophobicContact CG-CE1 4.22Å; E690-F694 HydrophobicContact CG-CE2 3.57Å; E690-F694 HydrophobicContact CG-CZ 3.58Å; E690-F694 WeakPolarHBondContact O-CB 3.46Å; E690-F694 WeakPolarHBondContact O-CD1 3.36Å; E690-F694 WeakPolarHBondContact O-CD2 3.4Å; E690-F694 WeakPolarHBondContact O-CG 3.31Å; E690-F694 PolarHBondContact O-N 3.38Å
691Q78.5Confident87.6Confident33 Ų3356 Ų5615%0.15430%0.3CS..Hα-helixtrans-73.8-39.2175.8-172.157.361.500112.2I90 T689 F694 N695I90-Q691 HydrophobicContact CD1-CG 4.3Å; T689-Q691 PolarHBondContact O-N 3.21Å; T689-Q691 PolarHBondContact OG1-N 3.46Å; Q691-F694 PolarHBondContact O-N 3.21Å; Q691-N695 PolarHBondContact NE2-OD1 2.92Å; Q691-N695 WeakPolarHBondContact O-CB 3.37Å; Q691-N695 PolarHBondContact O-N 3.44Å; Q691-N695 PolarHBondContact O-ND2 3.19Å; Q691-N695 PolarHBondContact O-OD1 3.13Å
692D86.4Confident88Confident71 Ų7155.2 Ų55.238%0.3829%0.288SS..Hα-helixtrans-70.7-38.9179.1-49.8-58.9000109.7T689 N695 A696T689-D692 WeakPolarHBondContact CB-OD2 3.34Å; T689-D692 VanDerWaalsContact CG2-OD2 3.25Å; T689-D692 WeakPolarHBondContact CG2-OD2 3.35Å; T689-D692 PolarHBondContact N-OD2 2.84Å; T689-D692 WeakPolarHBondContact O-CA 3.23Å; T689-D692 PolarHBondContact O-N 2.85Å; T689-D692 PolarHBondContact OG1-N 2.86Å; T689-D692 PolarHBondContact OG1-OD2 3.18Å; D692-N695 WeakPolarHBondContact O-CB 3.38Å; D692-N695 PolarHBondContact O-N 3.19Å; D692-A696 WeakPolarHBondContact O-CB 3.47Å; D692-A696 PolarHBondContact O-N 3.47Å
693L87.2Confident88.3Confident10 Ų1058.9 Ų58.95%0.05231%0.306CS..Hα-helixtrans-58.1-47.4169.1178.163.1000111.8P649 F685 T689 N695 A696 I697P649-L693 HydrophobicContact CB-CD2 4.03Å; F685-L693 HydrophobicContact CB-CD1 4.02Å; T689-L693 PolarHBondContact O-N 3.22Å; L693-N695 VanDerWaalsContact C-N 3.32Å; L693-N695 PolarHBondContact O-N 2.92Å; L693-A696 PolarHBondContact O-N 2.91Å; L693-I697 HydrophobicContact CD1-CD1 3.95Å; L693-I697 HydrophobicContact CD1-CG1 4.25Å; L693-I697 HydrophobicContact CG-CD1 3.89Å; L693-I697 WeakPolarHBondContact O-CB 3.48Å; L693-I697 VanDerWaalsContact O-CG1 3.29Å; L693-I697 WeakPolarHBondContact O-CG1 3.5Å; L693-I697 PolarHBondContact O-N 3.45Å
694F90.8Very high88.5Confident19 Ų1960.4 Ų60.48%0.08331%0.309CS..Hα-helixtrans-66.8-32.8177.3-67.8-7.9000112.9W197 F645 P649 I652 L657 E690 Q691 I697 S698W197-F694 HydrophobicContact CH2-CE1 4.43Å; W197-F694 AromaticContact CH2-CZ 3.81Å; W197-F694 HydrophobicContact CH2-CZ 3.81Å; W197-F694 AromaticContact CZ3-CZ 3.81Å; W197-F694 HydrophobicContact CZ3-CZ 3.81Å; F645-F694 HydrophobicContact CZ-CE2 4.2Å; F645-F694 HydrophobicContact CZ-CZ 4.42Å; P649-F694 HydrophobicContact CB-CE1 4.11Å; I652-F694 HydrophobicContact CG2-CD1 4.27Å; I652-F694 HydrophobicContact CG2-CE1 3.98Å; L657-F694 HydrophobicContact CD1-CB 3.86Å; L657-F694 HydrophobicContact CD1-CD1 4.04Å; L657-F694 HydrophobicContact CD1-CG 4.04Å; L657-F694 HydrophobicContact CD2-CB 4.15Å; L657-F694 HydrophobicContact CD2-CD1 3.73Å; L657-F694 HydrophobicContact CD2-CD2 3.75Å; L657-F694 HydrophobicContact CD2-CE1 4.02Å; L657-F694 HydrophobicContact CD2-CE2 4.04Å; L657-F694 HydrophobicContact CD2-CG 3.59Å; L657-F694 HydrophobicContact CD2-CZ 4.18Å; L657-F694 HydrophobicContact CG-CG 4.48Å; E690-F694 HydrophobicContact CG-CD2 4.19Å; E690-F694 HydrophobicContact CG-CE1 4.22Å; E690-F694 HydrophobicContact CG-CE2 3.57Å; E690-F694 HydrophobicContact CG-CZ 3.58Å; E690-F694 WeakPolarHBondContact O-CB 3.46Å; E690-F694 WeakPolarHBondContact O-CD1 3.36Å; E690-F694 WeakPolarHBondContact O-CD2 3.4Å; E690-F694 WeakPolarHBondContact O-CG 3.31Å; E690-F694 PolarHBondContact O-N 3.38Å; Q691-F694 PolarHBondContact O-N 3.21Å; F694-I697 HydrophobicContact CD1-CD1 4.47Å; F694-S698 VanDerWaalsContact O-CB 3.25Å; F694-S698 WeakPolarHBondContact O-CB 3.17Å; F694-S698 PolarHBondContact O-N 3.26Å; F694-S698 PolarHBondContact O-OG 3.27Å
695N89.9Confident88.3Confident43 Ų4361 Ų6123%0.2331%0.313CS..Hα-helixtrans-66.3-42.9171.8-65.6-15.3000110.9Q691 D692 L693 S698 Y699Q691-N695 PolarHBondContact NE2-OD1 2.92Å; Q691-N695 WeakPolarHBondContact O-CB 3.37Å; Q691-N695 PolarHBondContact O-N 3.44Å; Q691-N695 PolarHBondContact O-ND2 3.19Å; Q691-N695 PolarHBondContact O-OD1 3.13Å; D692-N695 WeakPolarHBondContact O-CB 3.38Å; D692-N695 PolarHBondContact O-N 3.19Å; L693-N695 VanDerWaalsContact C-N 3.32Å; L693-N695 PolarHBondContact O-N 2.92Å; N695-S698 PolarHBondContact O-N 3.46Å; N695-Y699 WeakPolarHBondContact O-CB 3.22Å; N695-Y699 WeakPolarHBondContact O-CD2 3.4Å; N695-Y699 PolarHBondContact O-N 3.34Å
696A92.1Very high88.2Confident0 Ų067.4 Ų67.40%036%0.355CS..Hα-helixtrans-64.9-48.317600000112.1F685 D692 L693 S698 Y699 E700 K722F685-A696 HydrophobicContact CB-CB 4.07Å; F685-A696 HydrophobicContact CD1-CB 4.22Å; F685-A696 WeakPolarHBondContact CD1-O 3.21Å; D692-A696 WeakPolarHBondContact O-CB 3.47Å; D692-A696 PolarHBondContact O-N 3.47Å; L693-A696 PolarHBondContact O-N 2.91Å; A696-S698 PolarHBondContact O-N 3.44Å; A696-Y699 PolarHBondContact O-N 3.42Å; A696-E700 HydrophobicContact CB-CB 4.23Å; A696-E700 HydrophobicContact CB-CG 4.18Å; A696-E700 PolarHBondContact O-N 3.45Å; A696-K722 PolarHBondContact O-NZ 3.05Å; A696-K722 VanDerWaalsContact O-NZ 3.07Å
697I93.8Very high88.6Confident0 Ų065.6 Ų65.60%035%0.349CS..Hα-helixtrans-56.5-36.1173.4-69.8172.4000111.1P649 I652 P654 L657 W669 F685 L693 F694 K722P649-I697 VanDerWaalsContact O-CD1 3.28Å; P649-I697 WeakPolarHBondContact O-CD1 3.31Å; I652-I697 HydrophobicContact CG2-CD1 4Å; I652-I697 WeakPolarHBondContact O-CG2 3.19Å; P654-I697 HydrophobicContact CB-CG2 4.39Å; L657-I697 HydrophobicContact CD1-CB 3.84Å; L657-I697 HydrophobicContact CD1-CG2 3.48Å; L657-I697 VanDerWaalsContact CD1-CG2 3.48Å; W669-I697 HydrophobicContact CZ2-CG2 3.94Å; F685-I697 HydrophobicContact CB-CG1 3.86Å; F685-I697 HydrophobicContact CD2-CB 4.42Å; F685-I697 HydrophobicContact CD2-CG1 3.62Å; F685-I697 HydrophobicContact CE2-CG1 4.42Å; F685-I697 HydrophobicContact CG-CG1 3.82Å; L693-I697 HydrophobicContact CD1-CD1 3.95Å; L693-I697 HydrophobicContact CD1-CG1 4.25Å; L693-I697 HydrophobicContact CG-CD1 3.89Å; L693-I697 WeakPolarHBondContact O-CB 3.48Å; L693-I697 VanDerWaalsContact O-CG1 3.29Å; L693-I697 WeakPolarHBondContact O-CG1 3.5Å; L693-I697 PolarHBondContact O-N 3.45Å; F694-I697 HydrophobicContact CD1-CD1 4.47Å; I697-K722 VanDerWaalsContact O-CD 3.29Å; I697-K722 WeakPolarHBondContact O-CD 3.17Å; I697-K722 WeakPolarHBondContact O-CE 3.4Å; I697-K722 PolarHBondContact O-NZ 2.84Å
698S94Very high89.4Confident31 Ų3164.6 Ų64.622%0.21733%0.334CS..Hα-helixtrans-78.1-44.6178.4-59.50000113.8F694 N695 A696F694-S698 VanDerWaalsContact O-CB 3.25Å; F694-S698 WeakPolarHBondContact O-CB 3.17Å; F694-S698 PolarHBondContact O-N 3.26Å; F694-S698 PolarHBondContact O-OG 3.27Å; N695-S698 PolarHBondContact O-N 3.46Å; A696-S698 PolarHBondContact O-N 3.44Å
699Y92.8Very high90.4Very high190 Ų19063.1 Ų63.175%0.74533%0.326SS*.Hα-helixtrans-124.5-23.4-161.1-55.8-61.4000116.1N695 A696N695-Y699 WeakPolarHBondContact O-CB 3.22Å; N695-Y699 WeakPolarHBondContact O-CD2 3.4Å; N695-Y699 PolarHBondContact O-N 3.34Å; A696-Y699 PolarHBondContact O-N 3.42Å
700E93.9Very high91.3Very high117 Ų11765.3 Ų65.355%0.54734%0.343SS..PPolyproline II helixtrans-83.1148.6-177.8-70-178.6-168.500112.3A696 K722A696-E700 HydrophobicContact CB-CB 4.23Å; A696-E700 HydrophobicContact CB-CG 4.18Å; A696-E700 PolarHBondContact O-N 3.45Å; E700-K722 WeakPolarHBondContact O-CE 3.46Å; E700-K722 PolarHBondContact O-NZ 3.15Å
701E94.2Very high92.3Very high181 Ų18165.6 Ų65.685%0.84635%0.345SS*.PPolyproline II helixtrans-87.1138.9174.6-64.2-166.4154.300111T703E701-T703 PolarHBondContact O-N 2.91Å
702V95.6Very high93.3Very high19 Ų1964 Ų6412%0.11534%0.338CS..PPolyproline II helixtrans-68.7123.8-178.7-177.60000110Y676 P684 F685 Y704 L720Y676-V702 HydrophobicContact CD2-CG1 3.93Å; Y676-V702 HydrophobicContact CE2-CG1 3.66Å; P684-V702 HydrophobicContact CB-CG1 3.93Å; P684-V702 HydrophobicContact CB-CG2 4.35Å; F685-V702 HydrophobicContact CE1-CG2 3.74Å; F685-V702 HydrophobicContact CE2-CG2 4.23Å; F685-V702 HydrophobicContact CZ-CG2 3.37Å; V702-Y704 HydrophobicContact CB-CE1 4.19Å; V702-Y704 HydrophobicContact CB-CE2 4.13Å; V702-Y704 HydrophobicContact CG1-CD1 4.08Å; V702-Y704 HydrophobicContact CG1-CE1 3.51Å; V702-Y704 HydrophobicContact CG1-CE2 4.2Å; V702-Y704 WeakPolarHBondContact O-CD2 3.41Å; V702-Y704 VanDerWaalsContact O-CE2 3.29Å; V702-Y704 WeakPolarHBondContact O-CE2 3.19Å; V702-L720 HydrophobicContact CG1-CD1 4.09Å; V702-L720 HydrophobicContact CG2-CB 4.06Å; V702-L720 HydrophobicContact CG2-CD1 3.85Å
703T95Very high93.8Very high113 Ų11362.7 Ų62.769%0.69333%0.333SS*.PPolyproline II helixtrans-88.8121.2172.7-65.50000109.9Y676 E701Y676-T703 PolarHBondContact OH-O 2.85Å; E701-T703 PolarHBondContact O-N 2.91Å
704Y95.6Very high94.4Very high60 Ų6064.9 Ų64.924%0.23535%0.345CS..PPolyproline II helixtrans-94.4132.9-178.9-58.3-78000112.1Y676 V702 V713 L716 S717Y676-Y704 HydrophobicContact CD2-CD1 4.26Å; Y676-Y704 HydrophobicContact CD2-CE1 4.3Å; Y676-Y704 HydrophobicContact CE2-CD1 4.11Å; Y676-Y704 HydrophobicContact CE2-CE1 4.45Å; V702-Y704 HydrophobicContact CB-CE1 4.19Å; V702-Y704 HydrophobicContact CB-CE2 4.13Å; V702-Y704 HydrophobicContact CG1-CD1 4.08Å; V702-Y704 HydrophobicContact CG1-CE1 3.51Å; V702-Y704 HydrophobicContact CG1-CE2 4.2Å; V702-Y704 WeakPolarHBondContact O-CD2 3.41Å; V702-Y704 VanDerWaalsContact O-CE2 3.29Å; V702-Y704 WeakPolarHBondContact O-CE2 3.19Å; Y704-V713 HydrophobicContact CD1-CG1 4.35Å; Y704-V713 HydrophobicContact CD2-CG1 3.84Å; Y704-V713 HydrophobicContact CE2-CG1 4.33Å; Y704-V713 HydrophobicContact CG-CG1 3.86Å; Y704-V713 HydrophobicContact CG-CG2 4.41Å; Y704-L716 HydrophobicContact CD1-CB 4.38Å; Y704-L716 HydrophobicContact CD1-CD1 4.13Å; Y704-L716 HydrophobicContact CE1-CB 3.63Å; Y704-L716 HydrophobicContact CE1-CD1 4.14Å; Y704-S717 WeakPolarHBondContact OH-CA 3.27Å
705P91.3Very high94.7Very high28 Ų2864 Ų6418%0.18234%0.341CS..PPolyproline II helixtrans-58.7134.4173.3-25.633.9000112.1A680 N707 L708A680-P705 HydrophobicContact CB-CG 3.98Å; P705-N707 PolarHBondContact O-N 3.28Å; P705-L708 HydrophobicContact CB-CG 4.39Å; P705-L708 PolarHBondContact O-N 3.2Å; P705-L708 VanDerWaalsContact O-N 3.13Å
706P92.2Very high95.1Very high142 Ų14262 Ų6292%0.92233%0.33SS*.THydrogen-bonded Turntrans-70.64.2-175.430.6-37.6000114.3
707N90.1Very high95.4Very high81 Ų8164.2 Ų64.243%0.43335%0.346SS..THydrogen-bonded Turntrans-98.82.6174.676-115.6000113.6R581 P705R581-N707 PolarHBondContact NH1-ND2 2.91Å; R581-N707 PolarHBondContact NH1-OD1 2.94Å; R581-N707 PolarHBondContact NH2-ND2 3.06Å; R581-N707 VanDerWaalsContact NH2-ND2 3.19Å; R581-N707 PolarHBondContact NH2-OD1 2.88Å; P705-N707 PolarHBondContact O-N 3.28Å
708L94.4Very high95.6Very high19 Ų1967.6 Ų67.610%0.09936%0.36CS..SBendtrans-86.6140.8174.9-60.8-175.4000110M679 P705 A712 V713 L716M679-L708 HydrophobicContact CB-CD2 3.8Å; P705-L708 HydrophobicContact CB-CG 4.39Å; P705-L708 PolarHBondContact O-N 3.2Å; P705-L708 VanDerWaalsContact O-N 3.13Å; L708-A712 HydrophobicContact CB-CB 4.38Å; L708-V713 HydrophobicContact CB-CG2 3.77Å; L708-L716 HydrophobicContact CD1-CD1 4.03Å
709N96.1Very high95.8Very high98 Ų9866.1 Ų66.152%0.52435%0.35SS..  trans-67.5158.3175.1-71.2-48.2000111.6E584 D711 A712 V713E584-N709 WeakPolarHBondContact OE1-CB 3.2Å; E584-N709 PolarHBondContact OE1-N 3.07Å; E584-N709 PolarHBondContact OE1-ND2 3.06Å; E584-N709 PolarHBondContact OE2-ND2 3.39Å; N709-D711 VanDerWaalsContact C-N 3.25Å; N709-D711 PolarHBondContact O-N 3.16Å; N709-A712 WeakPolarHBondContact O-CB 3.41Å; N709-A712 PolarHBondContact O-N 3.08Å; N709-V713 PolarHBondContact O-N 3.19Å
710S97.2Very high96.1Very high88 Ų8857.6 Ų57.662%0.61532%0.317SS*.Hα-helixtrans-48-47.7176.4480000112.7A712 V713 D714S710-A712 VanDerWaalsContact C-N 3.28Å; S710-A712 PolarHBondContact O-N 3.3Å; S710-V713 PolarHBondContact O-N 3.45Å; S710-D714 WeakPolarHBondContact O-CB 3.35Å; S710-D714 PolarHBondContact O-N 3.23Å
711D97.8Very high96.2Very high34 Ų3453.1 Ų53.118%0.18230%0.298CS..Hα-helixtrans-68.9-29.3-174.7-57.418.2000111.7N709 I715 F745 K747N709-D711 VanDerWaalsContact C-N 3.25Å; N709-D711 PolarHBondContact O-N 3.16Å; D711-I715 PolarHBondContact O-N 2.91Å; D711-I715 VanDerWaalsContact O-N 3.1Å; D711-F745 HydrophobicContact CB-CB 4.3Å; D711-F745 HydrophobicContact CB-CD2 4.48Å; D711-K747 IonicContact OD2-NZ 2.69Å; D711-K747 PolarHBondContact OD2-NZ 3.39Å
712A98.2Very high96.4Very high0 Ų047.4 Ų47.40%027%0.27CS..Hα-helixtrans-75.7-45.1176.500000111.3M679 L708 N709 S710 D714 I715 L716 F745M679-A712 HydrophobicContact CE-CB 4.47Å; M679-A712 HydrophobicContact SD-CB 4.2Å; L708-A712 HydrophobicContact CB-CB 4.38Å; N709-A712 WeakPolarHBondContact O-CB 3.41Å; N709-A712 PolarHBondContact O-N 3.08Å; S710-A712 VanDerWaalsContact C-N 3.28Å; S710-A712 PolarHBondContact O-N 3.3Å; A712-D714 VanDerWaalsContact C-N 3.34Å; A712-I715 WeakPolarHBondContact O-CG2 3.11Å; A712-L716 WeakPolarHBondContact O-CB 3.29Å; A712-L716 WeakPolarHBondContact O-CG 3.43Å; A712-L716 PolarHBondContact O-N 3.08Å; A712-L716 VanDerWaalsContact O-N 3.12Å; A712-F745 HydrophobicContact CB-CD2 3.95Å; A712-F745 HydrophobicContact CB-CE2 3.75Å
713V98.2Very high96.4Very high44 Ų4448.6 Ų48.627%0.26728%0.279SS..Hα-helixtrans-62.9-43.2173.6178.20000110.8Y704 L708 N709 S710 L716 S717Y704-V713 HydrophobicContact CD1-CG1 4.35Å; Y704-V713 HydrophobicContact CD2-CG1 3.84Å; Y704-V713 HydrophobicContact CE2-CG1 4.33Å; Y704-V713 HydrophobicContact CG-CG1 3.86Å; Y704-V713 HydrophobicContact CG-CG2 4.41Å; L708-V713 HydrophobicContact CB-CG2 3.77Å; N709-V713 PolarHBondContact O-N 3.19Å; S710-V713 PolarHBondContact O-N 3.45Å; V713-L716 PolarHBondContact O-N 2.93Å; V713-S717 VanDerWaalsContact O-CB 3.31Å; V713-S717 WeakPolarHBondContact O-CB 3.08Å; V713-S717 PolarHBondContact O-N 2.84Å; V713-S717 PolarHBondContact O-OG 3.43Å
714D98.3Very high96.4Very high56 Ų5644.9 Ų44.930%0.29926%0.257SS..Hα-helixtrans-60.7-46.9178.9-177.650.1000111.8S710 A712 S717 K718 H743S710-D714 WeakPolarHBondContact O-CB 3.35Å; S710-D714 PolarHBondContact O-N 3.23Å; A712-D714 VanDerWaalsContact C-N 3.34Å; D714-S717 PolarHBondContact O-N 3.2Å; D714-S717 PolarHBondContact O-OG 3.07Å; D714-K718 WeakPolarHBondContact O-CG 3.48Å; D714-K718 PolarHBondContact O-N 3.05Å; D714-K718 WeakPolarHBondContact OD1-CE 3.45Å; D714-K718 IonicContact OD1-NZ 3.54Å; D714-K718 PolarHBondContact OD1-NZ 3.41Å; D714-K718 IonicContact OD2-NZ 2.86Å; D714-K718 PolarHBondContact OD2-NZ 3.36Å; D714-H743 IonicContact OD2-CE1 3.89Å; D714-H743 PolarHBondContact OD2-CE1 3.42Å; D714-H743 IonicContact OD2-NE2 3.82Å; D714-H743 PolarHBondContact OD2-NE2 3.04Å
715I98.5Very high96.3Very high0 Ų046.4 Ų46.40%028%0.276CS..Hα-helixtrans-68-42.4178.5-158.4170.7000112.7M675 D711 A712 S717 K718 F719 L728 H743 F745 F746M675-I715 HydrophobicContact CE-CD1 4.32Å; M675-I715 HydrophobicContact CE-CG2 3.69Å; D711-I715 PolarHBondContact O-N 2.91Å; D711-I715 VanDerWaalsContact O-N 3.1Å; A712-I715 WeakPolarHBondContact O-CG2 3.11Å; I715-S717 VanDerWaalsContact C-N 3.31Å; I715-S717 PolarHBondContact O-N 2.9Å; I715-K718 PolarHBondContact O-N 2.81Å; I715-K718 VanDerWaalsContact O-N 3.16Å; I715-F719 HydrophobicContact CD1-CD2 4.46Å; I715-F719 HydrophobicContact CD1-CE2 3.79Å; I715-F719 HydrophobicContact CG1-CD2 3.91Å; I715-F719 HydrophobicContact CG1-CE2 3.73Å; I715-F719 PolarHBondContact O-N 3.47Å; I715-L728 HydrophobicContact CD1-CD2 4.28Å; I715-L728 HydrophobicContact CG1-CD2 3.81Å; I715-H743 VanDerWaalsContact CB-CE1 3.46Å; I715-H743 WeakPolarHBondContact CB-CE1 3.46Å; I715-H743 WeakPolarHBondContact CB-ND1 3.49Å; I715-H743 HydrophobicContact CD1-CB 3.9Å; I715-H743 HydrophobicContact CG1-CB 4.46Å; I715-H743 PolarHBondContact N-CE1 3.39Å; I715-F745 HydrophobicContact CB-CB 4.13Å; I715-F745 HydrophobicContact CD1-CB 4.06Å; I715-F745 HydrophobicContact CD1-CD1 4.14Å; I715-F745 HydrophobicContact CD1-CG 4.43Å; I715-F745 HydrophobicContact CG2-CB 4Å; I715-F745 HydrophobicContact CG2-CD1 4.06Å; I715-F745 HydrophobicContact CG2-CD2 4.27Å; I715-F745 HydrophobicContact CG2-CG 3.84Å; I715-F746 HydrophobicContact CD1-CD2 3.84Å; I715-F746 HydrophobicContact CD1-CE2 3.34Å; I715-F746 HydrophobicContact CD1-CZ 4.17Å
716L98.5Very high96.6Very high0 Ų053.5 Ų53.50%030%0.3CS..Hα-helixtrans-61.5-41.8177.3-67.8172000110.9G672 M675 Y676 M679 Y704 L708 A712 V713 K718 F719 L720G672-L716 WeakPolarHBondContact O-CD2 3.34Å; M675-L716 HydrophobicContact CB-CD2 3.64Å; Y676-L716 HydrophobicContact CD2-CD1 4.14Å; M679-L716 HydrophobicContact CE-CD1 3.95Å; M679-L716 HydrophobicContact CE-CD2 4.1Å; M679-L716 HydrophobicContact CE-CG 4.15Å; Y704-L716 HydrophobicContact CD1-CB 4.38Å; Y704-L716 HydrophobicContact CD1-CD1 4.13Å; Y704-L716 HydrophobicContact CE1-CB 3.63Å; Y704-L716 HydrophobicContact CE1-CD1 4.14Å; L708-L716 HydrophobicContact CD1-CD1 4.03Å; A712-L716 WeakPolarHBondContact O-CB 3.29Å; A712-L716 WeakPolarHBondContact O-CG 3.43Å; A712-L716 PolarHBondContact O-N 3.08Å; A712-L716 VanDerWaalsContact O-N 3.12Å; V713-L716 PolarHBondContact O-N 2.93Å; L716-K718 PolarHBondContact O-N 2.92Å; L716-F719 PolarHBondContact O-N 2.77Å; L716-L720 WeakPolarHBondContact O-CB 3.37Å; L716-L720 WeakPolarHBondContact O-CG 3.01Å; L716-L720 PolarHBondContact O-N 2.9Å
717S97.8Very high96.8Very high48 Ų4846.7 Ų46.734%0.33626%0.256SS..Hα-helixtrans-62.6-24.6178.1790000114Y704 V713 D714 I715 V721Y704-S717 WeakPolarHBondContact OH-CA 3.27Å; V713-S717 VanDerWaalsContact O-CB 3.31Å; V713-S717 WeakPolarHBondContact O-CB 3.08Å; V713-S717 PolarHBondContact O-N 2.84Å; V713-S717 PolarHBondContact O-OG 3.43Å; D714-S717 PolarHBondContact O-N 3.2Å; D714-S717 PolarHBondContact O-OG 3.07Å; I715-S717 VanDerWaalsContact C-N 3.31Å; I715-S717 PolarHBondContact O-N 2.9Å; S717-V721 WeakPolarHBondContact O-CG2 3.42Å
718K98Very high97.2Very high71 Ų7143.7 Ų43.731%0.30924%0.239SC..Hα-helixtrans-91.7-28.3178.9-65.3167.4-174.2162.50113.2D714 I715 L716 V721 L728 H743D714-K718 WeakPolarHBondContact O-CG 3.48Å; D714-K718 PolarHBondContact O-N 3.05Å; D714-K718 WeakPolarHBondContact OD1-CE 3.45Å; D714-K718 IonicContact OD1-NZ 3.54Å; D714-K718 PolarHBondContact OD1-NZ 3.41Å; D714-K718 IonicContact OD2-NZ 2.86Å; D714-K718 PolarHBondContact OD2-NZ 3.36Å; I715-K718 PolarHBondContact O-N 2.81Å; I715-K718 VanDerWaalsContact O-N 3.16Å; L716-K718 PolarHBondContact O-N 2.92Å; K718-V721 WeakPolarHBondContact O-CG2 3.46Å; K718-L728 HydrophobicContact CB-CB 3.95Å; K718-L728 HydrophobicContact CB-CD2 4.32Å; K718-L728 PolarHBondContact O-N 3.06Å; K718-H743 WeakPolarHBondContact CD-NE2 3.45Å; K718-H743 PolarHBondContact NZ-NE2 3.2Å
719F98.4Very high97.3Very high0 Ų043.1 Ų43.10%024%0.238CC..Hα-helixtrans-76.8-42168.9-77.8-55.8000112.1W668 L671 M675 I715 L716 V721 R727 L728 I740W668-F719 HydrophobicContact CB-CD1 4.22Å; W668-F719 HydrophobicContact CB-CE1 4.22Å; W668-F719 HydrophobicContact CE3-CE1 4.12Å; W668-F719 WeakPolarHBondContact O-CD1 3.47Å; L671-F719 HydrophobicContact CD2-CE1 4.18Å; L671-F719 HydrophobicContact CD2-CE2 4.17Å; L671-F719 HydrophobicContact CD2-CZ 3.68Å; L671-F719 HydrophobicContact CG-CE2 4.5Å; L671-F719 HydrophobicContact CG-CZ 4.39Å; M675-F719 HydrophobicContact SD-CD2 4.22Å; M675-F719 HydrophobicContact SD-CE2 3.81Å; I715-F719 HydrophobicContact CD1-CD2 4.46Å; I715-F719 HydrophobicContact CD1-CE2 3.79Å; I715-F719 HydrophobicContact CG1-CD2 3.91Å; I715-F719 HydrophobicContact CG1-CE2 3.73Å; I715-F719 PolarHBondContact O-N 3.47Å; L716-F719 PolarHBondContact O-N 2.77Å; F719-V721 PolarHBondContact O-N 3.25Å; F719-R727 WeakPolarHBondContact O-CD 3.41Å; F719-R727 WeakPolarHBondContact O-CG 3.36Å; F719-R727 PolarHBondContact O-NE 3.12Å; F719-L728 HydrophobicContact CD1-CB 3.9Å; F719-L728 HydrophobicContact CD1-CD2 4.33Å; F719-L728 HydrophobicContact CD2-CD2 4.36Å; F719-L728 HydrophobicContact CE1-CB 4.08Å; F719-L728 HydrophobicContact CE1-CD2 4.04Å; F719-L728 HydrophobicContact CE1-CG 4.25Å; F719-L728 HydrophobicContact CE2-CD2 4.08Å; F719-L728 HydrophobicContact CG-CB 4.44Å; F719-L728 HydrophobicContact CG-CD2 4.49Å; F719-L728 HydrophobicContact CZ-CD2 3.92Å; F719-I740 HydrophobicContact CE1-CD1 4.02Å; F719-I740 HydrophobicContact CE1-CG1 4.02Å; F719-I740 HydrophobicContact CZ-CD1 4.28Å; F719-I740 HydrophobicContact CZ-CG1 4.05Å; F719-I740 HydrophobicContact CZ-CG2 3.79Å
720L98.1Very high97.2Very high10 Ų1040.1 Ų40.15%0.05222%0.224CC..SBendtrans-8325.3-177.9-60.4172.9000113.1W669 V673 P684 V702 L716 K722W669-L720 HydrophobicContact CD2-CD2 4.29Å; W669-L720 HydrophobicContact CE3-CD2 4.28Å; W669-L720 HydrophobicContact CH2-CD2 4.28Å; W669-L720 HydrophobicContact CZ2-CD2 4.28Å; W669-L720 HydrophobicContact CZ3-CB 4.3Å; W669-L720 HydrophobicContact CZ3-CD2 4.29Å; W669-L720 WeakPolarHBondContact CZ3-O 3.37Å; V673-L720 HydrophobicContact CG2-CD2 3.87Å; P684-L720 HydrophobicContact CB-CD1 4.12Å; P684-L720 HydrophobicContact CG-CD1 4.36Å; V702-L720 HydrophobicContact CG1-CD1 4.09Å; V702-L720 HydrophobicContact CG2-CB 4.06Å; V702-L720 HydrophobicContact CG2-CD1 3.85Å; L716-L720 WeakPolarHBondContact O-CB 3.37Å; L716-L720 WeakPolarHBondContact O-CG 3.01Å; L716-L720 PolarHBondContact O-N 2.9Å; L720-K722 PolarHBondContact O-N 3.06Å
721V97.7Very high97.1Very high23 Ų2337.3 Ų37.314%0.13920%0.203CC..  trans-72.2118.8169.5-179.30000109.1S717 K718 F719 S723 R726 R727S717-V721 WeakPolarHBondContact O-CG2 3.42Å; K718-V721 WeakPolarHBondContact O-CG2 3.46Å; F719-V721 PolarHBondContact O-N 3.25Å; V721-S723 PolarHBondContact O-N 3.39Å; V721-R726 HydrophobicContact CG1-CB 3.8Å; V721-R727 HydrophobicContact CB-CB 4.45Å; V721-R727 PolarHBondContact O-NE 3.47Å; V721-R727 PolarHBondContact O-NH2 2.89Å
722K97.1Very high96.8Very high61 Ų6141.2 Ų41.227%0.26523%0.23SC..SBendtrans-57.4-33.8-178.9-49.6-70.1-171.41740113.1P654 W669 F685 A696 I697 E700 L720 P724 R727P654-K722 HydrophobicContact CG-CB 4.28Å; P654-K722 HydrophobicContact CG-CD 4.37Å; P654-K722 WeakPolarHBondContact CG-O 3.25Å; W669-K722 HydrophobicContact CH2-CD 3.93Å; W669-K722 HydrophobicContact CZ3-CD 4.19Å; F685-K722 VanDerWaalsContact CE1-NZ 3.27Å; F685-K722 VanDerWaalsContact CZ-NZ 3.33Å; A696-K722 PolarHBondContact O-NZ 3.05Å; A696-K722 VanDerWaalsContact O-NZ 3.07Å; I697-K722 VanDerWaalsContact O-CD 3.29Å; I697-K722 WeakPolarHBondContact O-CD 3.17Å; I697-K722 WeakPolarHBondContact O-CE 3.4Å; I697-K722 PolarHBondContact O-NZ 2.84Å; E700-K722 WeakPolarHBondContact O-CE 3.46Å; E700-K722 PolarHBondContact O-NZ 3.15Å; L720-K722 PolarHBondContact O-N 3.06Å; K722-P724 WeakPolarHBondContact O-CD 3.14Å; K722-R727 PolarHBondContact O-NH2 3.32Å
723S95.7Very high96.5Very high45 Ų4545.9 Ų45.932%0.31527%0.269SS..SBendtrans-89.1114.9179.5-1760000111.4V721 S725 R726 R727V721-S723 PolarHBondContact O-N 3.39Å; S723-S725 VanDerWaalsContact C-N 3.31Å; S723-S725 PolarHBondContact O-N 3.45Å; S723-S725 PolarHBondContact OG-OG 2.7Å; S723-R726 PolarHBondContact O-N 2.76Å; S723-R726 VanDerWaalsContact O-N 3.08Å; S723-R727 PolarHBondContact O-N 3.41Å
724P95.3Very high96.2Very high35 Ų3548.7 Ų48.723%0.22728%0.283CS..G310 helixtrans-63.4-33.2-174.722.6-33.1000113.4E655 K722 R726 R727 C730E655-P724 HydrophobicContact CB-CG 4.3Å; E655-P724 HydrophobicContact CG-CG 4.49Å; K722-P724 WeakPolarHBondContact O-CD 3.14Å; P724-R726 PolarHBondContact O-N 2.74Å; P724-R727 WeakPolarHBondContact O-CB 3.38Å; P724-R727 PolarHBondContact O-N 2.76Å; P724-R727 VanDerWaalsContact O-N 3.07Å; P724-C730 WeakPolarHBondContact O-CB 3.45Å
725S94.2Very high95.9Very high91 Ų9147.5 Ų47.564%0.63628%0.284SS*.G310 helixtrans-67.8-3.7176.656.10000114.8S723S723-S725 VanDerWaalsContact C-N 3.31Å; S723-S725 PolarHBondContact O-N 3.45Å; S723-S725 PolarHBondContact OG-OG 2.7Å
726R96.3Very high95.6Very high177 Ų17748.1 Ų48.167%0.66829%0.29SS*.G310 helixtrans-120.62.2174.1-74.9172.947.4-162.1-11113.2V721 S723 P724V721-R726 HydrophobicContact CG1-CB 3.8Å; S723-R726 PolarHBondContact O-N 2.76Å; S723-R726 VanDerWaalsContact O-N 3.08Å; P724-R726 PolarHBondContact O-N 2.74Å
727R97.7Very high95.4Very high0 Ų050.2 Ų50.20%030%0.3CS..SBendtrans-81.4146.6-174.6-167.5175-61.7142.45.5110.9E655 S665 F719 V721 K722 S723 P724 C730E655-R727 VanDerWaalsContact CD-NH1 3.3Å; E655-R727 IonicContact OE1-CZ 2.74Å; E655-R727 IonicContact OE1-NH1 3.51Å; E655-R727 PolarHBondContact OE1-NH1 2.89Å; E655-R727 IonicContact OE1-NH2 2.88Å; E655-R727 IonicContact OE2-CZ 3.41Å; E655-R727 IonicContact OE2-NH1 2.99Å; E655-R727 PolarHBondContact OE2-NH1 2.73Å; E655-R727 VanDerWaalsContact OE2-NH1 3.1Å; E655-R727 IonicContact OE2-NH2 3.4Å; E655-R727 PolarHBondContact OE2-NH2 3.13Å; S665-R727 PolarHBondContact O-NH1 3.33Å; F719-R727 WeakPolarHBondContact O-CD 3.41Å; F719-R727 WeakPolarHBondContact O-CG 3.36Å; F719-R727 PolarHBondContact O-NE 3.12Å; V721-R727 HydrophobicContact CB-CB 4.45Å; V721-R727 PolarHBondContact O-NE 3.47Å; V721-R727 PolarHBondContact O-NH2 2.89Å; K722-R727 PolarHBondContact O-NH2 3.32Å; S723-R727 PolarHBondContact O-N 3.41Å; P724-R727 WeakPolarHBondContact O-CB 3.38Å; P724-R727 PolarHBondContact O-N 2.76Å; P724-R727 VanDerWaalsContact O-N 3.07Å; R727-C730 HydrophobicContact CB-CB 4.29Å; R727-C730 VanDerWaalsContact O-CB 3.31Å; R727-C730 WeakPolarHBondContact O-CB 3.43Å; R727-C730 PolarHBondContact O-N 3.44Å
728L97.8Very high95.3Very high18 Ų1851.6 Ų51.69%0.09430%0.303CS..THydrogen-bonded Turntrans-54.3142.9172.1-164.961.7000110.3I715 K718 F719 C730 A739 I740I715-L728 HydrophobicContact CD1-CD2 4.28Å; I715-L728 HydrophobicContact CG1-CD2 3.81Å; K718-L728 HydrophobicContact CB-CB 3.95Å; K718-L728 HydrophobicContact CB-CD2 4.32Å; K718-L728 PolarHBondContact O-N 3.06Å; F719-L728 HydrophobicContact CD1-CB 3.9Å; F719-L728 HydrophobicContact CD1-CD2 4.33Å; F719-L728 HydrophobicContact CD2-CD2 4.36Å; F719-L728 HydrophobicContact CE1-CB 4.08Å; F719-L728 HydrophobicContact CE1-CD2 4.04Å; F719-L728 HydrophobicContact CE1-CG 4.25Å; F719-L728 HydrophobicContact CE2-CD2 4.08Å; F719-L728 HydrophobicContact CG-CB 4.44Å; F719-L728 HydrophobicContact CG-CD2 4.49Å; F719-L728 HydrophobicContact CZ-CD2 3.92Å; L728-C730 PolarHBondContact O-N 3.37Å; L728-A739 HydrophobicContact CD1-CB 3.98Å; L728-I740 HydrophobicContact CD2-CG1 4.22Å; L728-I740 HydrophobicContact CG-CG1 3.86Å
729G96.1Very high95.3Very high7 Ų749 Ų497%0.07230%0.295CS..THydrogen-bonded Turntrans81-24.8-170.800000114.8G736 E737G729-G736 WeakPolarHBondContact CA-O 3.26Å; G729-G736 CarbonylContact O-C 3.56Å; G729-G736 VanDerWaalsContact O-CA 3.25Å; G729-G736 WeakPolarHBondContact O-CA 3.42Å; G729-E737 PolarHBondContact O-N 3.17Å; G729-E737 VanDerWaalsContact O-N 3.13Å
730C95.2Very high95.3Very high35 Ų3549 Ų4924%0.23630%0.295CS..THydrogen-bonded Turntrans-100.7-17.5-170.2-55.30000114.4S665 P724 R727 L728 P732S665-C730 VanDerWaalsContact CA-SG 3.58Å; S665-C730 VanDerWaalsContact CB-SG 3.57Å; P724-C730 WeakPolarHBondContact O-CB 3.45Å; R727-C730 HydrophobicContact CB-CB 4.29Å; R727-C730 VanDerWaalsContact O-CB 3.31Å; R727-C730 WeakPolarHBondContact O-CB 3.43Å; R727-C730 PolarHBondContact O-N 3.44Å; L728-C730 PolarHBondContact O-N 3.37Å; C730-P732 VanDerWaalsContact O-CD 3.32Å; C730-P732 WeakPolarHBondContact O-CD 3.44Å
731V94.2Very high95.2Very high28 Ų2850.7 Ų50.717%0.1730%0.302CS..  trans-85.4113.6-176.5-1760000110.9A733 D734 G736V731-A733 VanDerWaalsContact C-N 3.31Å; V731-A733 HydrophobicContact CG1-CB 4.18Å; V731-A733 PolarHBondContact O-N 3.21Å; V731-D734 HydrophobicContact CB-CB 4.32Å; V731-D734 WeakPolarHBondContact CB-OD2 3.35Å; V731-D734 HydrophobicContact CG1-CB 4.34Å; V731-D734 WeakPolarHBondContact CG1-OD2 3.43Å; V731-D734 PolarHBondContact O-N 2.9Å; V731-G736 WeakPolarHBondContact O-CA 3.36Å; V731-G736 PolarHBondContact O-N 3.46Å
732P91.5Very high95.2Very high116 Ų11657.7 Ų57.775%0.75333%0.326SS*.G310 helixtrans-67.2-31.1-177-21.734.9000113.4C730 D734 G735C730-P732 VanDerWaalsContact O-CD 3.32Å; C730-P732 WeakPolarHBondContact O-CD 3.44Å; P732-D734 VanDerWaalsContact C-N 3.28Å; P732-D734 PolarHBondContact O-N 3.48Å; P732-G735 PolarHBondContact O-N 2.92Å; P732-G735 VanDerWaalsContact O-N 3.14Å
733A92Very high95.3Very high98 Ų9855.2 Ų55.281%0.8132%0.316SS*.G310 helixtrans-64.6-30.6179.400000113.2V731 G735V731-A733 VanDerWaalsContact C-N 3.31Å; V731-A733 HydrophobicContact CG1-CB 4.18Å; V731-A733 PolarHBondContact O-N 3.21Å; A733-G735 VanDerWaalsContact C-N 3.3Å
734D91.1Very high95.4Very high103 Ų10356.1 Ų56.155%0.55132%0.32SS*.G310 helixtrans-86.4-5.6178.3-57.6-29.1000112.2V731 P732 A739V731-D734 HydrophobicContact CB-CB 4.32Å; V731-D734 WeakPolarHBondContact CB-OD2 3.35Å; V731-D734 HydrophobicContact CG1-CB 4.34Å; V731-D734 WeakPolarHBondContact CG1-OD2 3.43Å; V731-D734 PolarHBondContact O-N 2.9Å; P732-D734 VanDerWaalsContact C-N 3.28Å; P732-D734 PolarHBondContact O-N 3.48Å; D734-A739 HydrophobicContact CB-CB 4.17Å
735G92.9Very high95.5Very high32 Ų3254.5 Ų54.533%0.3331%0.31SS..THydrogen-bonded Turntrans100.313-176.100000114.9P732 A733 E737 L738P732-G735 PolarHBondContact O-N 2.92Å; P732-G735 VanDerWaalsContact O-N 3.14Å; A733-G735 VanDerWaalsContact C-N 3.3Å; G735-E737 PolarHBondContact O-N 3.41Å; G735-L738 PolarHBondContact O-N 3.41Å
736G93Very high95.7Very high13 Ų1350.2 Ų50.213%0.13428%0.28CS..THydrogen-bonded Turntrans59.9-130.3179.500000112.1G729 V731 L738 A739G729-G736 WeakPolarHBondContact CA-O 3.26Å; G729-G736 CarbonylContact O-C 3.56Å; G729-G736 VanDerWaalsContact O-CA 3.25Å; G729-G736 WeakPolarHBondContact O-CA 3.42Å; V731-G736 WeakPolarHBondContact O-CA 3.36Å; V731-G736 PolarHBondContact O-N 3.46Å; G736-L738 PolarHBondContact O-N 3.42Å; G736-A739 WeakPolarHBondContact O-CB 3.37Å; G736-A739 PolarHBondContact O-N 3.06Å
737E94.2Very high95.7Very high44 Ų4448.6 Ų48.621%0.20628%0.277CS..THydrogen-bonded Turntrans-62.7-28.1-176.8-52.6-167.1147.700112.6M599 H602 W668 G729 G735 A739 I740M599-E737 HydrophobicContact CE-CB 4.22Å; H602-E737 IonicContact CE1-OE1 2.6Å; H602-E737 IonicContact CG-OE1 3.91Å; H602-E737 IonicContact ND1-OE1 2.75Å; H602-E737 PolarHBondContact ND1-OE1 3.27Å; H602-E737 IonicContact ND1-OE2 2.86Å; W668-E737 HydrophobicContact CZ2-CB 4.29Å; W668-E737 HydrophobicContact CZ2-CG 4.05Å; W668-E737 WeakPolarHBondContact CZ2-OE1 3.35Å; W668-E737 PolarHBondContact NE1-OE1 2.94Å; G729-E737 PolarHBondContact O-N 3.17Å; G729-E737 VanDerWaalsContact O-N 3.13Å; G735-E737 PolarHBondContact O-N 3.41Å; E737-A739 PolarHBondContact O-N 2.81Å; E737-I740 VanDerWaalsContact O-CB 3.3Å; E737-I740 WeakPolarHBondContact O-CB 3.14Å; E737-I740 PolarHBondContact O-N 2.84Å
738L95.7Very high95.6Very high77 Ų7754.7 Ų54.740%0.40331%0.306SS..Hα-helixtrans-65.9-17.2173.5-59.9176.2000113.2M599 G735 G736 I740 R742M599-L738 HydrophobicContact CE-CD2 4.17Å; G735-L738 PolarHBondContact O-N 3.41Å; G736-L738 PolarHBondContact O-N 3.42Å; L738-I740 VanDerWaalsContact C-N 3.28Å; L738-R742 VanDerWaalsContact O-CD 3.27Å; L738-R742 WeakPolarHBondContact O-CD 3.19Å; L738-R742 VanDerWaalsContact O-CG 3.22Å; L738-R742 WeakPolarHBondContact O-CG 3.43Å; L738-R742 PolarHBondContact O-N 3.1Å
739A97.4Very high95.6Very high15 Ų1555.1 Ų55.112%0.12431%0.308CS..Hα-helixtrans-69.2-27.3171.800000112.3L728 D734 G736 E737 H743L728-A739 HydrophobicContact CD1-CB 3.98Å; D734-A739 HydrophobicContact CB-CB 4.17Å; G736-A739 WeakPolarHBondContact O-CB 3.37Å; G736-A739 PolarHBondContact O-N 3.06Å; E737-A739 PolarHBondContact O-N 2.81Å; A739-H743 PolarHBondContact O-N 3.18Å
740I98Very high95.6Very high0 Ų058.9 Ų58.90%033%0.326CS..Hα-helixtrans-65.4-53176-59.1164.3000109.3I595 W668 F719 L728 E737 L738 R742 H743 F746I595-I740 HydrophobicContact CD1-CG2 3.5Å; I595-I740 HydrophobicContact CG1-CG2 4.02Å; I595-I740 HydrophobicContact CG2-CG2 4.23Å; W668-I740 HydrophobicContact CD2-CD1 3.56Å; W668-I740 HydrophobicContact CE3-CD1 3.48Å; W668-I740 VanDerWaalsContact CE3-CD1 3.48Å; W668-I740 HydrophobicContact CG-CD1 4.34Å; W668-I740 HydrophobicContact CH2-CD1 3.71Å; W668-I740 HydrophobicContact CZ2-CD1 3.74Å; W668-I740 HydrophobicContact CZ3-CD1 3.57Å; F719-I740 HydrophobicContact CE1-CD1 4.02Å; F719-I740 HydrophobicContact CE1-CG1 4.02Å; F719-I740 HydrophobicContact CZ-CD1 4.28Å; F719-I740 HydrophobicContact CZ-CG1 4.05Å; F719-I740 HydrophobicContact CZ-CG2 3.79Å; L728-I740 HydrophobicContact CD2-CG1 4.22Å; L728-I740 HydrophobicContact CG-CG1 3.86Å; E737-I740 VanDerWaalsContact O-CB 3.3Å; E737-I740 WeakPolarHBondContact O-CB 3.14Å; E737-I740 PolarHBondContact O-N 2.84Å; L738-I740 VanDerWaalsContact C-N 3.28Å; I740-R742 PolarHBondContact O-N 3.13Å; I740-R742 VanDerWaalsContact O-N 3.14Å; I740-H743 VanDerWaalsContact O-CB 3.28Å; I740-H743 WeakPolarHBondContact O-CB 2.99Å; I740-H743 PolarHBondContact O-N 3.15Å; I740-F746 HydrophobicContact CG2-CE2 4.03Å; I740-F746 WeakPolarHBondContact O-CD2 3.44Å
741Q97.4Very high95.8Very high46 Ų4658.8 Ų58.822%0.21532%0.321CS..Hα-helixtrans-62-24-177.8-68.1-171.8-19.900113.7I595 M599 W751I595-Q741 HydrophobicContact CG2-CG 4.48Å; M599-Q741 HydrophobicContact SD-CG 4.17Å; M599-Q741 PolarHBondContact SD-NE2 3.13Å; Q741-W751 HydrophobicContact CB-CD2 4.24Å; Q741-W751 HydrophobicContact CB-CZ2 3.95Å; Q741-W751 HydrophobicContact CG-CD2 3.84Å; Q741-W751 HydrophobicContact CG-CE3 4.09Å; Q741-W751 HydrophobicContact CG-CG 4.42Å; Q741-W751 HydrophobicContact CG-CH2 4.15Å; Q741-W751 HydrophobicContact CG-CZ2 3.89Å; Q741-W751 HydrophobicContact CG-CZ3 4.23Å; Q741-W751 PolarHBondContact O-NE1 3.22Å
742R96.9Very high95.9Very high171 Ų17163.3 Ų63.365%0.64534%0.341SS*.THydrogen-bonded Turntrans-90.2-3178.7-65.8168.2-172.8164.92.3113.9L738 I740L738-R742 VanDerWaalsContact O-CD 3.27Å; L738-R742 WeakPolarHBondContact O-CD 3.19Å; L738-R742 VanDerWaalsContact O-CG 3.22Å; L738-R742 WeakPolarHBondContact O-CG 3.43Å; L738-R742 PolarHBondContact O-N 3.1Å; I740-R742 PolarHBondContact O-N 3.13Å; I740-R742 VanDerWaalsContact O-N 3.14Å
743H98.2Very high96.1Very high9 Ų960.9 Ų60.94%0.04232%0.321CS..SBendtrans-67.3138.9-174.7-157.4-89.7000111.6D714 I715 K718 A739 I740 F745 F746D714-H743 IonicContact OD2-CE1 3.89Å; D714-H743 PolarHBondContact OD2-CE1 3.42Å; D714-H743 IonicContact OD2-NE2 3.82Å; D714-H743 PolarHBondContact OD2-NE2 3.04Å; I715-H743 VanDerWaalsContact CB-CE1 3.46Å; I715-H743 WeakPolarHBondContact CB-CE1 3.46Å; I715-H743 WeakPolarHBondContact CB-ND1 3.49Å; I715-H743 HydrophobicContact CD1-CB 3.9Å; I715-H743 HydrophobicContact CG1-CB 4.46Å; I715-H743 PolarHBondContact N-CE1 3.39Å; K718-H743 WeakPolarHBondContact CD-NE2 3.45Å; K718-H743 PolarHBondContact NZ-NE2 3.2Å; A739-H743 PolarHBondContact O-N 3.18Å; I740-H743 VanDerWaalsContact O-CB 3.28Å; I740-H743 WeakPolarHBondContact O-CB 2.99Å; I740-H743 PolarHBondContact O-N 3.15Å; H743-F745 PolarHBondContact O-N 3.35Å; H743-F746 HydrophobicContact CB-CD2 4.35Å; H743-F746 PolarHBondContact O-N 2.8Å
744P98Very high96.4Very high63 Ų6356.2 Ų56.241%0.40928%0.282SS..G310 helixtrans-52.6-30.4179.9-3136.5000115F746 K747P744-F746 PolarHBondContact O-N 3.37Å; P744-K747 VanDerWaalsContact O-CB 3.3Å; P744-K747 WeakPolarHBondContact O-CB 3.42Å; P744-K747 WeakPolarHBondContact O-CD 3.46Å; P744-K747 WeakPolarHBondContact O-CG 3.05Å; P744-K747 PolarHBondContact O-N 3.15Å; P744-K747 VanDerWaalsContact O-N 3.15Å
745F98.4Very high96.6Very high1 Ų155.4 Ų55.40%0.00428%0.275CS..G310 helixtrans-58.1-28.3173.6-175.5-102.8000113.9E584 R588 M675 M679 D711 A712 I715 H743E584-F745 HydrophobicContact CB-CE2 4.46Å; R588-F745 HydrophobicContact CB-CE1 3.77Å; R588-F745 HydrophobicContact CB-CZ 3.86Å; R588-F745 WeakPolarHBondContact CD-O 3.45Å; R588-F745 HydrophobicContact CG-CE1 4.11Å; R588-F745 PolarHBondContact NE-O 3.45Å; M675-F745 HydrophobicContact CE-CD1 3.82Å; M675-F745 HydrophobicContact CE-CE1 3.42Å; M675-F745 VanDerWaalsContact CE-CE1 3.42Å; M675-F745 HydrophobicContact CE-CZ 4.07Å; M679-F745 HydrophobicContact CE-CZ 4.23Å; M679-F745 HydrophobicContact SD-CE2 4.07Å; M679-F745 HydrophobicContact SD-CZ 3.89Å; D711-F745 HydrophobicContact CB-CB 4.3Å; D711-F745 HydrophobicContact CB-CD2 4.48Å; A712-F745 HydrophobicContact CB-CD2 3.95Å; A712-F745 HydrophobicContact CB-CE2 3.75Å; I715-F745 HydrophobicContact CB-CB 4.13Å; I715-F745 HydrophobicContact CD1-CB 4.06Å; I715-F745 HydrophobicContact CD1-CD1 4.14Å; I715-F745 HydrophobicContact CD1-CG 4.43Å; I715-F745 HydrophobicContact CG2-CB 4Å; I715-F745 HydrophobicContact CG2-CD1 4.06Å; I715-F745 HydrophobicContact CG2-CD2 4.27Å; I715-F745 HydrophobicContact CG2-CG 3.84Å; H743-F745 PolarHBondContact O-N 3.35Å
746F98.2Very high96.7Very high2 Ų256.6 Ų56.61%0.00927%0.272CS..G310 helixtrans-103.812.4178.8-64.1-64.5000113.8R588 A591 A592 I595 M675 I715 I740 H743 P744 E748 I749 W751R588-F746 HydrophobicContact CG-CD1 3.82Å; R588-F746 HydrophobicContact CG-CE1 4.15Å; A591-F746 HydrophobicContact CB-CE1 4.12Å; A591-F746 HydrophobicContact CB-CZ 4.04Å; A592-F746 HydrophobicContact CB-CD1 4.3Å; A592-F746 HydrophobicContact CB-CE1 4.16Å; I595-F746 HydrophobicContact CD1-CD2 4.43Å; I595-F746 HydrophobicContact CD1-CE1 4.12Å; I595-F746 HydrophobicContact CD1-CE2 3.47Å; I595-F746 VanDerWaalsContact CD1-CE2 3.47Å; I595-F746 HydrophobicContact CD1-CZ 3.3Å; M675-F746 HydrophobicContact CE-CZ 4.29Å; M675-F746 HydrophobicContact SD-CZ 4.4Å; I715-F746 HydrophobicContact CD1-CD2 3.84Å; I715-F746 HydrophobicContact CD1-CE2 3.34Å; I715-F746 HydrophobicContact CD1-CZ 4.17Å; I740-F746 HydrophobicContact CG2-CE2 4.03Å; I740-F746 WeakPolarHBondContact O-CD2 3.44Å; H743-F746 HydrophobicContact CB-CD2 4.35Å; H743-F746 PolarHBondContact O-N 2.8Å; P744-F746 PolarHBondContact O-N 3.37Å; F746-E748 PolarHBondContact O-N 3.48Å; F746-I749 HydrophobicContact CB-CG1 4.35Å; F746-I749 HydrophobicContact CD1-CG1 4.09Å; F746-I749 WeakPolarHBondContact O-CB 3.45Å; F746-I749 PolarHBondContact O-N 3.26Å; F746-W751 HydrophobicContact CB-CZ2 3.72Å; F746-W751 HydrophobicContact CD1-CH2 4.2Å; F746-W751 HydrophobicContact CD1-CZ2 4.21Å; F746-W751 HydrophobicContact CD2-CH2 4.31Å; F746-W751 HydrophobicContact CD2-CZ2 4.12Å; F746-W751 HydrophobicContact CG-CH2 4.11Å; F746-W751 AromaticContact CG-CZ2 3.78Å; F746-W751 HydrophobicContact CG-CZ2 3.78Å
747K96.7Very high96.8Very high142 Ų14257.1 Ų57.162%0.61727%0.27SS*.THydrogen-bonded Turntrans-56.3-13.7-179.671-163.4163.3-158.60116.1D711 P744D711-K747 IonicContact OD2-NZ 2.69Å; D711-K747 PolarHBondContact OD2-NZ 3.39Å; P744-K747 VanDerWaalsContact O-CB 3.3Å; P744-K747 WeakPolarHBondContact O-CB 3.42Å; P744-K747 WeakPolarHBondContact O-CD 3.46Å; P744-K747 WeakPolarHBondContact O-CG 3.05Å; P744-K747 PolarHBondContact O-N 3.15Å; P744-K747 VanDerWaalsContact O-N 3.15Å
748E94.8Very high96.8Very high128 Ų12863.5 Ų63.560%0.59829%0.292SS*.THydrogen-bonded Turntrans-97.7-6.4178.8-65.2168-175.900113R588 F746R588-E748 IonicContact CZ-OE2 3.3Å; R588-E748 IonicContact NE-OE2 3.37Å; R588-E748 IonicContact NH1-OE1 2.71Å; R588-E748 IonicContact NH1-OE2 2.63Å; R588-E748 PolarHBondContact NH1-OE2 3.43Å; F746-E748 PolarHBondContact O-N 3.48Å
749I97.4Very high96.7Very high28 Ų2861.8 Ų61.814%0.14428%0.284CS..  trans-96.1115.6-178.6-56.6-58.1000109.8R588 A592 F746 W751 L754R588-I749 HydrophobicContact CG-CD1 4.17Å; R588-I749 HydrophobicContact CG-CG1 4.13Å; A592-I749 HydrophobicContact CB-CD1 4.44Å; A592-I749 HydrophobicContact CB-CG1 4.2Å; A592-I749 HydrophobicContact CB-CG2 4.16Å; F746-I749 HydrophobicContact CB-CG1 4.35Å; F746-I749 HydrophobicContact CD1-CG1 4.09Å; F746-I749 WeakPolarHBondContact O-CB 3.45Å; F746-I749 PolarHBondContact O-N 3.26Å; I749-W751 HydrophobicContact CB-CZ2 4.44Å; I749-W751 HydrophobicContact CG2-CD2 3.83Å; I749-W751 HydrophobicContact CG2-CE3 4.19Å; I749-W751 HydrophobicContact CG2-CG 4.15Å; I749-W751 HydrophobicContact CG2-CZ2 4.21Å; I749-L754 HydrophobicContact CG2-CD2 3.93Å
750D97.3Very high96.6Very high85 Ų8571.7 Ų71.746%0.45532%0.319SS..  trans-85.2112.9155.6172.8-23.8000107.4Q752 I753 L754D750-Q752 PolarHBondContact OD1-N 3.35Å; D750-I753 HydrophobicContact CB-CD1 3.77Å; D750-I753 HydrophobicContact CB-CG1 3.65Å; D750-I753 WeakPolarHBondContact O-CG1 3.36Å; D750-I753 PolarHBondContact OD1-N 2.77Å; D750-I753 VanDerWaalsContact OD1-N 3.14Å; D750-L754 WeakPolarHBondContact O-CB 3.41Å; D750-L754 PolarHBondContact O-N 3.17Å
751W97.6Very high96.5Very high34 Ų3472.4 Ų72.413%0.12932%0.323CS..Hα-helixtrans-69.3-33-172.2-6490.5000112.8A592 I595 L596 Q741 F746 I749 L754 E755A592-W751 HydrophobicContact CB-CH2 3.79Å; A592-W751 HydrophobicContact CB-CZ3 3.72Å; A592-W751 WeakPolarHBondContact O-CZ3 3.44Å; I595-W751 HydrophobicContact CB-CH2 4.27Å; I595-W751 HydrophobicContact CB-CZ3 4Å; I595-W751 HydrophobicContact CD1-CH2 3.97Å; I595-W751 HydrophobicContact CG2-CH2 4Å; I595-W751 HydrophobicContact CG2-CZ3 3.74Å; L596-W751 HydrophobicContact CD1-CE3 4.28Å; L596-W751 HydrophobicContact CD2-CE3 4.05Å; L596-W751 HydrophobicContact CG-CE3 3.97Å; L596-W751 HydrophobicContact CG-CZ3 4.32Å; Q741-W751 HydrophobicContact CB-CD2 4.24Å; Q741-W751 HydrophobicContact CB-CZ2 3.95Å; Q741-W751 HydrophobicContact CG-CD2 3.84Å; Q741-W751 HydrophobicContact CG-CE3 4.09Å; Q741-W751 HydrophobicContact CG-CG 4.42Å; Q741-W751 HydrophobicContact CG-CH2 4.15Å; Q741-W751 HydrophobicContact CG-CZ2 3.89Å; Q741-W751 HydrophobicContact CG-CZ3 4.23Å; Q741-W751 PolarHBondContact O-NE1 3.22Å; F746-W751 HydrophobicContact CB-CZ2 3.72Å; F746-W751 HydrophobicContact CD1-CH2 4.2Å; F746-W751 HydrophobicContact CD1-CZ2 4.21Å; F746-W751 HydrophobicContact CD2-CH2 4.31Å; F746-W751 HydrophobicContact CD2-CZ2 4.12Å; F746-W751 HydrophobicContact CG-CH2 4.11Å; F746-W751 AromaticContact CG-CZ2 3.78Å; F746-W751 HydrophobicContact CG-CZ2 3.78Å; I749-W751 HydrophobicContact CB-CZ2 4.44Å; I749-W751 HydrophobicContact CG2-CD2 3.83Å; I749-W751 HydrophobicContact CG2-CE3 4.19Å; I749-W751 HydrophobicContact CG2-CG 4.15Å; I749-W751 HydrophobicContact CG2-CZ2 4.21Å; W751-L754 PolarHBondContact O-N 3.23Å; W751-E755 WeakPolarHBondContact O-CB 3.31Å; W751-E755 PolarHBondContact O-N 3.37Å
752Q96.5Very high96.5Very high123 Ų12373.5 Ų73.558%0.57533%0.334SS*.Hα-helixtrans-71.2-47.2179.8-176.8-177.3-20.600110.4D750 L754 E755 E756D750-Q752 PolarHBondContact OD1-N 3.35Å; Q752-L754 PolarHBondContact O-N 3.03Å; Q752-E755 PolarHBondContact O-N 3.21Å; Q752-E756 HydrophobicContact CG-CG 4.38Å; Q752-E756 PolarHBondContact NE2-OE1 3.33Å; Q752-E756 WeakPolarHBondContact O-CB 3.32Å; Q752-E756 VanDerWaalsContact O-CG 3.29Å; Q752-E756 WeakPolarHBondContact O-CG 3.5Å; Q752-E756 PolarHBondContact O-N 2.79Å
753I96.5Very high96.3Very high65 Ų6568.2 Ų68.233%0.33332%0.316SS..Hα-helixtrans-71.1-19.8179.371.4176.3000112.4D750 R758 V759D750-I753 HydrophobicContact CB-CD1 3.77Å; D750-I753 HydrophobicContact CB-CG1 3.65Å; D750-I753 WeakPolarHBondContact O-CG1 3.36Å; D750-I753 PolarHBondContact OD1-N 2.77Å; D750-I753 VanDerWaalsContact OD1-N 3.14Å; I753-R758 HydrophobicContact CB-CB 4.29Å; I753-R758 WeakPolarHBondContact O-CA 3.44Å; I753-R758 WeakPolarHBondContact O-CB 3.47Å; I753-R758 PolarHBondContact O-N 3.12Å; I753-V759 HydrophobicContact CD1-CG2 4.13Å; I753-V759 HydrophobicContact CG1-CG2 3.75Å; I753-V759 PolarHBondContact O-N 2.83Å
754L97.2Very high96.1Very high0 Ų075 Ų750%034%0.342CS..Hα-helixtrans-71.7-51.6169.6-17564.1000110.7F546 F589 A592 E593 L596 I749 D750 W751 Q752 E756 R757 V759F546-L754 HydrophobicContact CE2-CG 4.49Å; F546-L754 HydrophobicContact CZ-CG 4.39Å; F546-L754 WeakPolarHBondContact CZ-O 3.18Å; F589-L754 HydrophobicContact CD2-CD1 4.25Å; F589-L754 HydrophobicContact CE2-CD1 3.69Å; F589-L754 HydrophobicContact CZ-CD1 4.18Å; A592-L754 HydrophobicContact CB-CD2 3.45Å; A592-L754 VanDerWaalsContact CB-CD2 3.45Å; E593-L754 HydrophobicContact CG-CD1 3.85Å; E593-L754 HydrophobicContact CG-CD2 4.09Å; E593-L754 HydrophobicContact CG-CG 4.11Å; L596-L754 HydrophobicContact CD1-CB 4.36Å; L596-L754 HydrophobicContact CD1-CD2 3.96Å; L596-L754 HydrophobicContact CD1-CG 4.09Å; I749-L754 HydrophobicContact CG2-CD2 3.93Å; D750-L754 WeakPolarHBondContact O-CB 3.41Å; D750-L754 PolarHBondContact O-N 3.17Å; W751-L754 PolarHBondContact O-N 3.23Å; Q752-L754 PolarHBondContact O-N 3.03Å; L754-E756 VanDerWaalsContact C-N 3.32Å; L754-E756 PolarHBondContact O-N 3.37Å; L754-R757 VanDerWaalsContact O-CA 3.31Å; L754-R757 WeakPolarHBondContact O-CA 3.38Å; L754-R757 PolarHBondContact O-N 3.04Å; L754-V759 HydrophobicContact CB-CG2 4.11Å; L754-V759 HydrophobicContact CD1-CB 3.95Å; L754-V759 HydrophobicContact CD1-CG2 4.06Å
755E95.8Very high95.8Very high86 Ų8672.3 Ų72.340%0.40232%0.324SS..Hα-helixtrans-59.6-40.1176.3-167.6174.1-158.400112P545 L596 W751 Q752 R757P545-E755 HydrophobicContact CG-CG 4.29Å; P545-E755 WeakPolarHBondContact CG-O 3.25Å; L596-E755 HydrophobicContact CD1-CB 4.05Å; W751-E755 WeakPolarHBondContact O-CB 3.31Å; W751-E755 PolarHBondContact O-N 3.37Å; Q752-E755 PolarHBondContact O-N 3.21Å; E755-R757 PolarHBondContact O-N 2.78Å
756E95Very high95.5Very high57 Ų5780.7 Ų80.727%0.26636%0.36SS..THydrogen-bonded Turntrans-68.73.1171.8-67.1175.4173.200114Q752 L754 R758Q752-E756 HydrophobicContact CG-CG 4.38Å; Q752-E756 PolarHBondContact NE2-OE1 3.33Å; Q752-E756 WeakPolarHBondContact O-CB 3.32Å; Q752-E756 VanDerWaalsContact O-CG 3.29Å; Q752-E756 WeakPolarHBondContact O-CG 3.5Å; Q752-E756 PolarHBondContact O-N 2.79Å; L754-E756 VanDerWaalsContact C-N 3.32Å; L754-E756 PolarHBondContact O-N 3.37Å; E756-R758 VanDerWaalsContact C-N 3.27Å; E756-R758 HydrophobicContact CB-CG 4.09Å; E756-R758 PolarHBondContact O-N 3.1Å; E756-R758 IonicContact OE2-CZ 3.36Å; E756-R758 IonicContact OE2-NE 2.84Å; E756-R758 PolarHBondContact OE2-NE 2.79Å; E756-R758 IonicContact OE2-NH1 3.51Å; E756-R758 PolarHBondContact OE2-NH1 2.85Å; E756-R758 IonicContact OE2-NH2 3.61Å; E756-R758 PolarHBondContact OE2-NH2 3.07Å
757R94.6Very high95.2Very high23 Ų2382.7 Ų82.79%0.08737%0.373CS..THydrogen-bonded Turntrans51.238.3-176.6-73.1-176.451.6148.3-6.1114.5P545 F546 D619 E621 H623 L754 E755 Y819P545-R757 HydrophobicContact CB-CG 4.22Å; F546-R757 HydrophobicContact CE1-CG 3.76Å; F546-R757 HydrophobicContact CZ-CG 3.94Å; D619-R757 IonicContact OD1-NH2 3.4Å; D619-R757 IonicContact OD2-CZ 3.18Å; D619-R757 IonicContact OD2-NH1 3.07Å; D619-R757 PolarHBondContact OD2-NH1 2.89Å; D619-R757 IonicContact OD2-NH2 2.66Å; D619-R757 PolarHBondContact OD2-NH2 2.87Å; E621-R757 IonicContact OE2-NH2 2.69Å; E621-R757 PolarHBondContact OE2-NH2 2.85Å; H623-R757 PolarHBondContact CD2-NE 3.25Å; H623-R757 PolarHBondContact CD2-NH2 2.86Å; L754-R757 VanDerWaalsContact O-CA 3.31Å; L754-R757 WeakPolarHBondContact O-CA 3.38Å; L754-R757 PolarHBondContact O-N 3.04Å; E755-R757 PolarHBondContact O-N 2.78Å; R757-Y819 HydrophobicContact CB-CD1 3.99Å; R757-Y819 HydrophobicContact CB-CE1 3.84Å; R757-Y819 HydrophobicContact CG-CD1 4.36Å; R757-Y819 HydrophobicContact CG-CE1 4.3Å; R757-Y819 PolarHBondContact NH2-O 3.28Å; R757-Y819 VanDerWaalsContact NH2-O 3.13Å
758R95.3Very high94.8Very high179 Ų17986.1 Ų86.168%0.67538%0.382SS*.  trans-95.1-16.6177-61.7-177.8-178.8153.715.2113.3I753 E756I753-R758 HydrophobicContact CB-CB 4.29Å; I753-R758 WeakPolarHBondContact O-CA 3.44Å; I753-R758 WeakPolarHBondContact O-CB 3.47Å; I753-R758 PolarHBondContact O-N 3.12Å; E756-R758 VanDerWaalsContact C-N 3.27Å; E756-R758 HydrophobicContact CB-CG 4.09Å; E756-R758 PolarHBondContact O-N 3.1Å; E756-R758 IonicContact OE2-CZ 3.36Å; E756-R758 IonicContact OE2-NE 2.84Å; E756-R758 PolarHBondContact OE2-NE 2.79Å; E756-R758 IonicContact OE2-NH1 3.51Å; E756-R758 PolarHBondContact OE2-NH1 2.85Å; E756-R758 IonicContact OE2-NH2 3.61Å; E756-R758 PolarHBondContact OE2-NH2 3.07Å
759V94.1Very high94.6Very high40 Ų4082.7 Ų82.724%0.24237%0.372CS..SBendtrans-75.2124.6169.4-171.40000109.4F589 H623 I753 L754 P761F589-V759 HydrophobicContact CD2-CG1 4.1Å; F589-V759 HydrophobicContact CE2-CB 4.09Å; F589-V759 HydrophobicContact CE2-CG1 3.71Å; H623-V759 PolarHBondContact CE1-O 2.8Å; H623-V759 VanDerWaalsContact CE1-O 3.3Å; I753-V759 HydrophobicContact CD1-CG2 4.13Å; I753-V759 HydrophobicContact CG1-CG2 3.75Å; I753-V759 PolarHBondContact O-N 2.83Å; L754-V759 HydrophobicContact CB-CG2 4.11Å; L754-V759 HydrophobicContact CD1-CB 3.95Å; L754-V759 HydrophobicContact CD1-CG2 4.06Å; V759-P761 WeakPolarHBondContact O-CD 3.39Å
760R95.3Very high94.2Very high223 Ų22389.7 Ų89.784%0.84240%0.397SS*.PPolyproline II helixtrans-71.1128.5177.5174.1-178.8166.8-176.4-4.3110.9
761P96.2Very high93.9Very high15 Ų1589.4 Ų89.410%0.09739%0.394CS..PPolyproline II helixtrans-58.7142.6175.6-28.536.4000114.2F589 G622 H623 V759 F763F589-P761 HydrophobicContact CE1-CB 3.99Å; F589-P761 HydrophobicContact CE1-CG 4.22Å; F589-P761 HydrophobicContact CZ-CB 4Å; F589-P761 HydrophobicContact CZ-CG 3.89Å; G622-P761 WeakPolarHBondContact O-CB 3.48Å; H623-P761 VanDerWaalsContact CD2-CG 3.44Å; H623-P761 WeakPolarHBondContact CD2-CG 3.12Å; H623-P761 WeakPolarHBondContact NE2-CD 3.31Å; H623-P761 WeakPolarHBondContact NE2-CG 3.39Å; V759-P761 WeakPolarHBondContact O-CD 3.39Å; P761-F763 VanDerWaalsContact C-N 3.32Å; P761-F763 PolarHBondContact O-N 3.47Å
762P95.4Very high93.6Very high69 Ų6988.5 Ų88.545%0.44839%0.392SS..SBendtrans-71.8-26.6-179.628.1-34000112.7R586 F589R586-P762 HydrophobicContact CB-CB 4.36Å; R586-P762 HydrophobicContact CB-CG 4.11Å; R586-P762 HydrophobicContact CG-CG 4.02Å; F589-P762 HydrophobicContact CB-CG 3.93Å; F589-P762 HydrophobicContact CD1-CG 3.97Å; F589-P762 VanDerWaalsContact CG-CD 3.45Å; F589-P762 HydrophobicContact CG-CG 3.93Å
763F94.2Very high93.4Very high60 Ų6083.4 Ų83.426%0.26337%0.369SS..  trans-129.8136.4173.3167.3-91000109.4Q575 L618 G622 P761 P765Q575-F763 HydrophobicContact CG-CE1 4.31Å; L618-F763 HydrophobicContact CD1-CD1 3.98Å; L618-F763 HydrophobicContact CD1-CE1 4.09Å; G622-F763 WeakPolarHBondContact CA-O 3.31Å; P761-F763 VanDerWaalsContact C-N 3.32Å; P761-F763 PolarHBondContact O-N 3.47Å; F763-P765 HydrophobicContact CE1-CB 3.94Å; F763-P765 HydrophobicContact CZ-CB 4.41Å
764R94.4Very high93.1Very high153 Ų15382.9 Ų82.958%0.57737%0.372SS*.  trans-117.1122.8173.3-178.6171.1-173.6-178.18.7109.5A620 E621A620-R764 VanDerWaalsContact O-CZ 3.27Å; A620-R764 PolarHBondContact O-NE 3.48Å; A620-R764 PolarHBondContact O-NH2 3.3Å; E621-R764 WeakPolarHBondContact O-CG 3.47Å
765P91.1Very high92.6Very high6 Ų683.5 Ų83.54%0.03938%0.375CS..  trans-66.6158.417926-31.7000111.6L618 D619 F763 V767L618-P765 HydrophobicContact CB-CG 4.45Å; D619-P765 WeakPolarHBondContact O-CD 3.18Å; D619-P765 WeakPolarHBondContact O-CG 3.49Å; F763-P765 HydrophobicContact CE1-CB 3.94Å; F763-P765 HydrophobicContact CZ-CB 4.41Å; P765-V767 HydrophobicContact CG-CG2 4.47Å; P765-V767 PolarHBondContact O-N 3.03Å
766K92.2Very high92.2Very high176 Ų17680.6 Ų80.677%0.76536%0.361SS*.  trans-88.4105.8178.1-68.7-177.3-179.1179.10108.6N775K766-N775 PolarHBondContact O-ND2 3.14Å
767V90.7Very high91.6Very high45 Ų4581.7 Ų81.727%0.27337%0.368SS..  trans-118.3124.6178.8179.20000108.8A620 P765 S769 D772A620-V767 HydrophobicContact CB-CB 4.33Å; A620-V767 HydrophobicContact CB-CG1 4.35Å; A620-V767 HydrophobicContact CB-CG2 4.14Å; P765-V767 HydrophobicContact CG-CG2 4.47Å; P765-V767 PolarHBondContact O-N 3.03Å; V767-S769 WeakPolarHBondContact CG1-O 3.3Å; V767-D772 HydrophobicContact CG1-CB 4.35Å
768R89.4Confident91.1Very high213 Ų21388.1 Ų88.180%0.80440%0.397SS*.  trans-96.8-28.3-174-58.6169.5-171.4-151.21.5113.5D772R768-D772 HydrophobicContact CB-CB 4.3Å; R768-D772 VanDerWaalsContact CB-OD2 3.25Å; R768-D772 WeakPolarHBondContact CB-OD2 3.32Å; R768-D772 WeakPolarHBondContact CG-OD2 3.38Å; R768-D772 PolarHBondContact N-OD2 3.32Å
769S90.3Very high90.3Very high57 Ų5784.3 Ų84.340%0.39939%0.39SS..SBendtrans-160172.6-175.477.90000110.8V767 I771 D772V767-S769 WeakPolarHBondContact CG1-O 3.3Å; S769-I771 PolarHBondContact O-N 3Å; S769-I771 WeakPolarHBondContact OG-CG1 3.4Å; S769-I771 PolarHBondContact OG-N 2.97Å; S769-D772 WeakPolarHBondContact O-CB 3.25Å; S769-D772 PolarHBondContact O-N 3.18Å; S769-D772 PolarHBondContact OG-N 2.8Å
770R88.9Confident89.9Confident174 Ų17485.6 Ų85.666%0.65739%0.392SS*.THydrogen-bonded Turntrans-63.3-21.7175.5-66.3177.1179.1-103.6-4.9113.7V511 Y566V511-R770 HydrophobicContact CG2-CB 4.3Å; Y566-R770 VanDerWaalsContact CD1-O 3.28Å; Y566-R770 WeakPolarHBondContact CD1-O 3.45Å; Y566-R770 VanDerWaalsContact CE1-O 3.28Å; Y566-R770 WeakPolarHBondContact CE1-O 3.24Å
771I90.8Very high89.6Confident80 Ų8075.5 Ų75.541%0.4136%0.356SS..THydrogen-bonded Turntrans-110.918.6-178.860.7169.4000112.5L489 L502 V511 S769 T773L489-I771 HydrophobicContact CD1-CB 4.41Å; L489-I771 HydrophobicContact CD1-CG2 3.74Å; L502-I771 HydrophobicContact CD2-CB 4.08Å; L502-I771 HydrophobicContact CD2-CG2 4.42Å; V511-I771 HydrophobicContact CG1-CG2 4.08Å; V511-I771 HydrophobicContact CG2-CG2 3.72Å; S769-I771 PolarHBondContact O-N 3Å; S769-I771 WeakPolarHBondContact OG-CG1 3.4Å; S769-I771 PolarHBondContact OG-N 2.97Å; I771-T773 PolarHBondContact O-N 3.15Å; I771-T773 VanDerWaalsContact O-N 3.13Å
772D91.6Very high89.1Confident15 Ų1580 Ų808%0.0838%0.383CS..  trans-77.2100.3-174.4-176.912.4000112.9Y566 V767 R768 S769 S774Y566-D772 PolarHBondContact OH-O 3.2Å; V767-D772 HydrophobicContact CG1-CB 4.35Å; R768-D772 HydrophobicContact CB-CB 4.3Å; R768-D772 VanDerWaalsContact CB-OD2 3.25Å; R768-D772 WeakPolarHBondContact CB-OD2 3.32Å; R768-D772 WeakPolarHBondContact CG-OD2 3.38Å; R768-D772 PolarHBondContact N-OD2 3.32Å; S769-D772 WeakPolarHBondContact O-CB 3.25Å; S769-D772 PolarHBondContact O-N 3.18Å; S769-D772 PolarHBondContact OG-N 2.8Å; D772-S774 VanDerWaalsContact C-N 3.29Å; D772-S774 VanDerWaalsContact CG-OG 3.28Å; D772-S774 PolarHBondContact O-N 3.3Å; D772-S774 WeakPolarHBondContact OD1-CB 3.35Å; D772-S774 PolarHBondContact OD1-N 2.71Å; D772-S774 PolarHBondContact OD1-OG 3.49Å; D772-S774 PolarHBondContact OD2-OG 2.86Å
773T91.6Very high88.8Confident15 Ų1579.5 Ų79.59%0.09238%0.375CS..  trans-86.115.2175.870.50000114.1K490 L492 L502 I771 N775 F776 T781K490-T773 HydrophobicContact CB-CG2 4.36Å; K490-T773 HydrophobicContact CD-CG2 3.55Å; K490-T773 VanDerWaalsContact CD-OG1 3.25Å; K490-T773 WeakPolarHBondContact CD-OG1 3.14Å; K490-T773 HydrophobicContact CG-CG2 4.49Å; L492-T773 HydrophobicContact CD2-CG2 3.69Å; L502-T773 HydrophobicContact CD2-CG2 3.8Å; I771-T773 PolarHBondContact O-N 3.15Å; I771-T773 VanDerWaalsContact O-N 3.13Å; T773-N775 PolarHBondContact O-N 3.42Å; T773-F776 PolarHBondContact O-N 3.13Å; T773-F776 VanDerWaalsContact O-N 3.13Å; T773-T781 HydrophobicContact CG2-CG2 4.32Å
774S90.6Very high88.4Confident55 Ų5583.5 Ų83.539%0.38540%0.395SS..THydrogen-bonded Turntrans-73.6-3.4-174.766.40000115.7D772D772-S774 VanDerWaalsContact C-N 3.29Å; D772-S774 VanDerWaalsContact CG-OG 3.28Å; D772-S774 PolarHBondContact O-N 3.3Å; D772-S774 WeakPolarHBondContact OD1-CB 3.35Å; D772-S774 PolarHBondContact OD1-N 2.71Å; D772-S774 PolarHBondContact OD1-OG 3.49Å; D772-S774 PolarHBondContact OD2-OG 2.86Å
775N88.2Confident88.2Confident13 Ų1378 Ų787%0.0738%0.378CS..THydrogen-bonded Turntrans-10210.8169.9-54.1-66.7000113.7N568 G569 G570 F574 K766 T773N568-N775 PolarHBondContact O-ND2 3.13Å; N568-N775 VanDerWaalsContact O-ND2 3.08Å; G569-N775 VanDerWaalsContact C-CB 3.42Å; G569-N775 VanDerWaalsContact O-CB 3.31Å; G569-N775 WeakPolarHBondContact O-CB 3.27Å; G570-N775 VanDerWaalsContact CA-O 3.31Å; G570-N775 WeakPolarHBondContact CA-O 3.46Å; F574-N775 WeakPolarHBondContact CD1-O 3.29Å; F574-N775 HydrophobicContact CE1-CB 4.12Å; K766-N775 PolarHBondContact O-ND2 3.14Å; T773-N775 PolarHBondContact O-N 3.42Å
776F85.9Confident88Confident25 Ų2581.5 Ų81.511%0.1140%0.4CS..SBendtrans-111.3166.5176.8-65.7-103.7000110.5L492 Y566 V567 T773 T781L492-F776 HydrophobicContact CB-CD1 4.23Å; L492-F776 HydrophobicContact CB-CE1 4.23Å; L492-F776 HydrophobicContact CD2-CD1 3.98Å; L492-F776 HydrophobicContact CD2-CD2 4.37Å; L492-F776 HydrophobicContact CD2-CE1 3.94Å; L492-F776 HydrophobicContact CD2-CE2 4.34Å; L492-F776 HydrophobicContact CD2-CG 4.2Å; L492-F776 HydrophobicContact CD2-CZ 4.12Å; L492-F776 HydrophobicContact CG-CE1 4.46Å; Y566-F776 HydrophobicContact CE2-CE1 4.48Å; Y566-F776 AromaticContact CE2-CE2 3.91Å; Y566-F776 HydrophobicContact CE2-CE2 3.91Å; Y566-F776 AromaticContact CE2-CZ 3.57Å; Y566-F776 HydrophobicContact CE2-CZ 3.57Å; Y566-F776 AromaticContact CZ-CE2 3.92Å; Y566-F776 WeakPolarHBondContact OH-CE2 3.42Å; V567-F776 WeakPolarHBondContact O-CZ 3.41Å; T773-F776 PolarHBondContact O-N 3.13Å; T773-F776 VanDerWaalsContact O-N 3.13Å; F776-T781 HydrophobicContact CB-CG2 3.79Å
777D82.7Confident87.6Confident79 Ų7975.2 Ų75.242%0.42237%0.374SS..  trans-61.8140.7175.1-155.2-34000111.9D779 F780 T781D777-D779 PolarHBondContact OD1-N 3.39Å; D777-F780 HydrophobicContact CB-CD2 3.74Å; D777-F780 HydrophobicContact CB-CE2 4.13Å; D777-F780 HydrophobicContact CB-CG 4.5Å; D777-T781 WeakPolarHBondContact O-CB 3.45Å; D777-T781 VanDerWaalsContact O-CG2 3.28Å; D777-T781 WeakPolarHBondContact O-CG2 3.21Å; D777-T781 PolarHBondContact O-N 3.48Å; D777-T781 PolarHBondContact O-OG1 2.91Å
778K84.5Confident87Confident158 Ų15877.1 Ų77.169%0.68739%0.386SS*.Hα-helixtrans-72.5-31.4174.3-67.4178.6-177.21730111.8F780 T781 T782K778-F780 PolarHBondContact O-N 3.35Å; K778-T781 WeakPolarHBondContact CA-OG1 3.46Å; K778-T781 PolarHBondContact O-N 2.96Å; K778-T782 WeakPolarHBondContact O-CB 3.15Å; K778-T782 WeakPolarHBondContact O-CG2 3.14Å; K778-T782 PolarHBondContact O-N 2.81Å; K778-T782 PolarHBondContact O-OG1 2.9Å
779D78.9Confident86.2Confident99 Ų9970.9 Ų70.953%0.52937%0.373SS..Hα-helixtrans-67.5-27.8-179.6-78.116.2000111.4D777D777-D779 PolarHBondContact OD1-N 3.39Å
780F86.1Confident84.9Confident67 Ų6770 Ų7029%0.29437%0.367SS..Hα-helixtrans-84.7-49.6166.7-54.4-45.5000112.3V491 K494 D777 K778 T782 E783V491-F780 HydrophobicContact CG1-CB 4.41Å; V491-F780 CarbonylContact O-C 3.59Å; K494-F780 HydrophobicContact CB-CD1 4.04Å; K494-F780 HydrophobicContact CB-CE1 3.85Å; D777-F780 HydrophobicContact CB-CD2 3.74Å; D777-F780 HydrophobicContact CB-CE2 4.13Å; D777-F780 HydrophobicContact CB-CG 4.5Å; K778-F780 PolarHBondContact O-N 3.35Å; F780-T782 PolarHBondContact O-N 3.13Å; F780-E783 WeakPolarHBondContact O-CB 3.3Å; F780-E783 PolarHBondContact O-N 2.79Å
781T87.5Confident83.2Confident11 Ų1168.3 Ų68.37%0.06737%0.371CS..Hα-helixtrans-73.40.8-171.658.60000115K490 V491 T773 F776 D777 K778K490-T781 PolarHBondContact NZ-O 3.47Å; V491-T781 WeakPolarHBondContact O-CA 3.48Å; V491-T781 WeakPolarHBondContact O-CG2 3.37Å; T773-T781 HydrophobicContact CG2-CG2 4.32Å; F776-T781 HydrophobicContact CB-CG2 3.79Å; D777-T781 WeakPolarHBondContact O-CB 3.45Å; D777-T781 VanDerWaalsContact O-CG2 3.28Å; D777-T781 WeakPolarHBondContact O-CG2 3.21Å; D777-T781 PolarHBondContact O-N 3.48Å; D777-T781 PolarHBondContact O-OG1 2.91Å; K778-T781 WeakPolarHBondContact CA-OG1 3.46Å; K778-T781 PolarHBondContact O-N 2.96Å
782T87Confident81.8Confident111 Ų11167.9 Ų67.968%0.68137%0.369SS*.THydrogen-bonded Turntrans-105.5-816759.40000114.2K778 F780K778-T782 WeakPolarHBondContact O-CB 3.15Å; K778-T782 WeakPolarHBondContact O-CG2 3.14Å; K778-T782 PolarHBondContact O-N 2.81Å; K778-T782 PolarHBondContact O-OG1 2.9Å; F780-T782 PolarHBondContact O-N 3.13Å
783E87.5Confident80.2Confident57 Ų5772 Ų7227%0.26640%0.399SS..SBendtrans-70.2137.8168.9-173.5175.6144.300109.9V491 K494 K499 F780V491-E783 HydrophobicContact CB-CB 4.29Å; V491-E783 HydrophobicContact CG2-CB 4.06Å; V491-E783 HydrophobicContact CG2-CG 4.15Å; K494-E783 IonicContact NZ-OE1 2.74Å; K494-E783 PolarHBondContact NZ-OE1 3.23Å; K494-E783 IonicContact NZ-OE2 3.18Å; K494-E783 PolarHBondContact NZ-OE2 3.45Å; K499-E783 WeakPolarHBondContact CE-OE1 3.28Å; K499-E783 IonicContact NZ-OE1 2.89Å; K499-E783 PolarHBondContact NZ-OE1 2.98Å; F780-E783 WeakPolarHBondContact O-CB 3.3Å; F780-E783 PolarHBondContact O-N 2.79Å
784E87.7Confident78.5Confident145 Ų14575.3 Ų75.368%0.67842%0.423SS*.  trans-61.6137.4177.2-65.1-170.815300110.9V786E784-V786 HydrophobicContact CB-CG2 4.04Å; E784-V786 PolarHBondContact O-N 2.9Å
785P88.8Confident77Confident37 Ų3776.6 Ų76.624%0.2442%0.423CS..  trans-77.142.5-175.435.4-39.4000112.8F488F488-P785 HydrophobicContact CB-CB 3.92Å
786V87.4Confident75.9Confident80 Ų8077.9 Ų77.949%0.48543%0.43SS..PPolyproline II helixtrans-101.4134.6-172.4178.70000110.3K499 E784 T788K499-V786 PolarHBondContact NZ-O 2.83Å; E784-V786 HydrophobicContact CB-CG2 4.04Å; E784-V786 PolarHBondContact O-N 2.9Å; V786-T788 PolarHBondContact O-N 2.81Å
787L84Confident74.8Confident43 Ų4381 Ų8123%0.22546%0.46CS..PPolyproline II helixtrans-70119.6166.8-65.5-179.9000109L483 M501 V516 F561L483-L787 HydrophobicContact CD1-CD1 4.12Å; L483-L787 HydrophobicContact CD2-CD1 4.12Å; M501-L787 HydrophobicContact CE-CD2 3.54Å; M501-L787 HydrophobicContact CE-CG 4.29Å; V516-L787 HydrophobicContact CB-CD2 4.42Å; V516-L787 HydrophobicContact CG1-CD2 3.87Å; V516-L787 HydrophobicContact CG2-CD2 4.39Å; F561-L787 HydrophobicContact CE1-CD1 4.12Å; F561-L787 HydrophobicContact CE1-CD2 4.44Å; F561-L787 HydrophobicContact CZ-CD1 4.03Å
788T78.3Confident74.1Confident85 Ų8581.1 Ų81.152%0.52147%0.472SS..PPolyproline II helixtrans-55.4130.1170.9-50.80000109.4R559 V786R559-T788 PolarHBondContact NH1-O 2.78Å; R559-T788 PolarHBondContact NH2-O 3.4Å; V786-T788 PolarHBondContact O-N 2.81Å
789P72.3Confident73.5Confident83 Ų8374.5 Ų74.554%0.53944%0.444SS..PPolyproline II helixtrans-52.1164.6176.1-31.238000115D791P789-D791 VanDerWaalsContact CB-OD1 3.24Å; P789-D791 WeakPolarHBondContact CB-OD1 3.46Å
790S62.7Low73.6Confident38 Ų3871.8 Ų71.827%0.26644%0.435SS..  trans-125.790.3175.6-72.90000108.1K518 D558 R559 N792K518-S790 PolarHBondContact NZ-OG 3.15Å; D558-S790 WeakPolarHBondContact OD2-CB 3.46Å; D558-S790 PolarHBondContact OD2-OG 2.66Å; R559-S790 PolarHBondContact NH2-OG 3.18Å; S790-N792 VanDerWaalsContact C-N 3.33Å; S790-N792 PolarHBondContact O-N 3.07Å
791D53.4Low73.6Confident139 Ų13971.7 Ų71.774%0.74344%0.436SS*.  trans-81.8-0.3-156.6-61.2-39.2000115.6P789P789-D791 VanDerWaalsContact CB-OD1 3.24Å; P789-D791 WeakPolarHBondContact CB-OD1 3.46Å
792N60.4Low73.7Confident70 Ų7077 Ų7737%0.37446%0.464SS..  trans-128.2104.2-172.5-63.9-53.1000112.9S790 S794 E795 L796S790-N792 VanDerWaalsContact C-N 3.33Å; S790-N792 PolarHBondContact O-N 3.07Å; N792-S794 PolarHBondContact O-N 2.68Å; N792-E795 HydrophobicContact CB-CB 3.94Å; N792-E795 HydrophobicContact CB-CG 3.76Å; N792-E795 VanDerWaalsContact CB-OE2 3.3Å; N792-E795 WeakPolarHBondContact CB-OE2 3.4Å; N792-E795 PolarHBondContact ND2-OE1 3.15Å; N792-E795 PolarHBondContact ND2-OE2 2.92Å; N792-E795 PolarHBondContact O-N 3.21Å; N792-L796 PolarHBondContact O-N 2.69Å
793S58.9Low73.8Confident102 Ų10274.3 Ų74.371%0.71345%0.447SS*.Hα-helixtrans-60.3-27.6173.753.50000113.7A797S793-A797 WeakPolarHBondContact O-CB 3.18Å; S793-A797 PolarHBondContact O-N 2.75Å; S793-A797 VanDerWaalsContact O-N 3.12Å
794S56.9Low74.1Confident85 Ų8571.6 Ų71.659%0.59443%0.434SS*.Hα-helixtrans-70.9-28.2174.555.80000113.9N792N792-S794 PolarHBondContact O-N 2.68Å
795E58.4Low74.2Confident81 Ų8168 Ų6838%0.37943%0.43SS..Hα-helixtrans-78.6-39.1176-68.1173.5167.700109.6N792 A797 A798 I799N792-E795 HydrophobicContact CB-CB 3.94Å; N792-E795 HydrophobicContact CB-CG 3.76Å; N792-E795 VanDerWaalsContact CB-OE2 3.3Å; N792-E795 WeakPolarHBondContact CB-OE2 3.4Å; N792-E795 PolarHBondContact ND2-OE1 3.15Å; N792-E795 PolarHBondContact ND2-OE2 2.92Å; N792-E795 PolarHBondContact O-N 3.21Å; E795-A797 PolarHBondContact O-N 2.84Å; E795-A798 PolarHBondContact O-N 3.02Å; E795-A798 VanDerWaalsContact O-N 3.11Å; E795-I799 PolarHBondContact O-N 3.04Å
796L64Low74.2Confident40 Ų4072.4 Ų72.421%0.20945%0.451CS..Hα-helixtrans-60-42173.4-60.3-177.3000112.9D558 N792 A798 I799D558-L796 HydrophobicContact CB-CD2 3.43Å; D558-L796 VanDerWaalsContact CB-CD2 3.43Å; N792-L796 PolarHBondContact O-N 2.69Å; L796-A798 PolarHBondContact O-N 2.88Å; L796-I799 HydrophobicContact CD2-CD1 4Å; L796-I799 WeakPolarHBondContact O-CB 3.47Å; L796-I799 PolarHBondContact O-N 3.4Å
797A63.1Low74.6Confident91 Ų9168.6 Ų68.675%0.75243%0.428SS*.THydrogen-bonded Turntrans-68.6-10.8177.200000114.3S793 E795S793-A797 WeakPolarHBondContact O-CB 3.18Å; S793-A797 PolarHBondContact O-N 2.75Å; S793-A797 VanDerWaalsContact O-N 3.12Å; E795-A797 PolarHBondContact O-N 2.84Å
798A67.4Low75.2Confident82 Ų8269.7 Ų69.768%0.67843%0.434SS*.THydrogen-bonded Turntrans-99.7-5.9176.600000113.5E795 L796 A800E795-A798 PolarHBondContact O-N 3.02Å; E795-A798 VanDerWaalsContact O-N 3.11Å; L796-A798 PolarHBondContact O-N 2.88Å; A798-A800 PolarHBondContact O-N 2.9Å
799I73.7Confident75.9Confident19 Ų1966.6 Ų66.610%0.09742%0.416CS..SBendtrans-71.8122.1174.6-65.1173.3000108.7K519 L523 E795 L796 Q801 F804K519-I799 HydrophobicContact CB-CD1 4.2Å; K519-I799 HydrophobicContact CB-CG2 3.95Å; K519-I799 HydrophobicContact CD-CG2 4.1Å; L523-I799 HydrophobicContact CD1-CB 4.31Å; L523-I799 HydrophobicContact CD1-CG2 3.8Å; E795-I799 PolarHBondContact O-N 3.04Å; L796-I799 HydrophobicContact CD2-CD1 4Å; L796-I799 WeakPolarHBondContact O-CB 3.47Å; L796-I799 PolarHBondContact O-N 3.4Å; I799-Q801 PolarHBondContact O-N 3.14Å; I799-Q801 VanDerWaalsContact O-N 3.08Å; I799-F804 HydrophobicContact CG2-CE2 4.47Å
800A81.1Confident76.9Confident41 Ų4166.3 Ų66.334%0.33941%0.406SS..  trans-65.7105.916600000108.6A798 V803A798-A800 PolarHBondContact O-N 2.9Å; A800-V803 HydrophobicContact CB-CG1 4.25Å
801Q86.1Confident78.3Confident66 Ų6664.7 Ų64.731%0.30839%0.394SS..  trans-83.4-28-175.7-60.4-65.9-13.200112E557 I799 V803 F804E557-Q801 PolarHBondContact O-NE2 3.04Å; I799-Q801 PolarHBondContact O-N 3.14Å; I799-Q801 VanDerWaalsContact O-N 3.08Å; Q801-V803 VanDerWaalsContact C-N 3.32Å; Q801-V803 PolarHBondContact O-N 3.17Å; Q801-F804 PolarHBondContact O-N 3.02Å; Q801-F804 VanDerWaalsContact O-N 3.13Å
802D89.4Confident80Confident123 Ų12363.3 Ų63.366%0.65839%0.391SS*.G310 helixtrans-62.4-34-177.456.4-54000113.1F804 A805D802-F804 PolarHBondContact O-N 3.33Å; D802-F804 VanDerWaalsContact O-N 3.08Å; D802-A805 WeakPolarHBondContact O-CB 3.31Å; D802-A805 PolarHBondContact O-N 3.43Å; D802-A805 VanDerWaalsContact O-N 3.09Å
803V89Confident81.3Confident53 Ų5363.6 Ų63.632%0.32139%0.393SS..G310 helixtrans-66.9-9.3176.6-46.20000113.6L523 V528 A800 Q801L523-V803 HydrophobicContact CD2-CG2 3.99Å; V528-V803 HydrophobicContact CG1-CB 4.14Å; V528-V803 HydrophobicContact CG1-CG2 3.97Å; V528-V803 HydrophobicContact CG2-CG2 4.12Å; A800-V803 HydrophobicContact CB-CG1 4.25Å; Q801-V803 VanDerWaalsContact C-N 3.32Å; Q801-V803 PolarHBondContact O-N 3.17Å
804F92.6Very high82.5Confident0 Ų062.2 Ų62.20%037%0.372CS..G310 helixtrans-110.111.4176.4-56.2-68.5000113.1K519 I522 L523 V528 Q555 L560 I799 Q801 D802 D806 F807K519-F804 HydrophobicContact CB-CE2 3.95Å; K519-F804 HydrophobicContact CB-CZ 4.25Å; K519-F804 HydrophobicContact CD-CD2 3.87Å; K519-F804 HydrophobicContact CD-CE2 4.02Å; K519-F804 HydrophobicContact CG-CD2 4.04Å; K519-F804 HydrophobicContact CG-CE2 3.78Å; K519-F804 HydrophobicContact CG-CZ 4.12Å; I522-F804 HydrophobicContact CB-CZ 4.41Å; I522-F804 HydrophobicContact CD1-CE1 4.47Å; I522-F804 HydrophobicContact CG2-CE1 4.11Å; I522-F804 HydrophobicContact CG2-CZ 4.26Å; L523-F804 HydrophobicContact CD1-CE2 4.36Å; L523-F804 HydrophobicContact CD2-CE2 4.25Å; L523-F804 HydrophobicContact CD2-CZ 4.18Å; L523-F804 HydrophobicContact CG-CE2 4.2Å; L523-F804 HydrophobicContact CG-CZ 4.14Å; V528-F804 HydrophobicContact CG1-CE1 4.2Å; V528-F804 HydrophobicContact CG2-CE1 4.21Å; V528-F804 HydrophobicContact CG2-CZ 4.17Å; Q555-F804 PolarHBondContact NE2-O 3.39Å; L560-F804 HydrophobicContact CD1-CD1 3.74Å; L560-F804 HydrophobicContact CD1-CE1 3.83Å; L560-F804 HydrophobicContact CD2-CB 4.29Å; L560-F804 HydrophobicContact CD2-CD1 4.12Å; L560-F804 HydrophobicContact CD2-CG 4.23Å; L560-F804 HydrophobicContact CG-CD1 4.45Å; I799-F804 HydrophobicContact CG2-CE2 4.47Å; Q801-F804 PolarHBondContact O-N 3.02Å; Q801-F804 VanDerWaalsContact O-N 3.13Å; D802-F804 PolarHBondContact O-N 3.33Å; D802-F804 VanDerWaalsContact O-N 3.08Å; F804-D806 PolarHBondContact O-N 2.93Å; F804-F807 WeakPolarHBondContact O-CB 3.46Å; F804-F807 PolarHBondContact O-N 2.95Å; F804-F807 VanDerWaalsContact O-N 3.13Å
805A90.4Very high82.6Confident70 Ų7062 Ų6258%0.57937%0.371SS*.G310 helixtrans-56.8-44.1-177.100000113.2D802 F807D802-A805 WeakPolarHBondContact O-CB 3.31Å; D802-A805 PolarHBondContact O-N 3.43Å; D802-A805 VanDerWaalsContact O-N 3.09Å; A805-F807 PolarHBondContact O-N 3.25Å
806D89.7Confident82.1Confident130 Ų13064.2 Ų64.270%0.69539%0.39SS*.G310 helixtrans-84.521.7-179.9-62.7-35.5000113.8R535 F804R535-D806 VanDerWaalsContact CZ-O 3.3Å; R535-D806 PolarHBondContact NE-O 3.35Å; R535-D806 PolarHBondContact NH2-O 3.19Å; F804-D806 PolarHBondContact O-N 2.93Å
807F95.2Very high80.8Confident0 Ų069.3 Ų69.30%041%0.414CS..G310 helixtrans-85.2-34.5178.1-172-93.4000113.6T531 L532 R535 A553 F554 Q555 L560 F562 F804 A805 C809T531-F807 HydrophobicContact CG2-CE2 4.24Å; L532-F807 HydrophobicContact CD2-CB 4.33Å; L532-F807 HydrophobicContact CD2-CD2 4.24Å; R535-F807 WeakPolarHBondContact CD-O 3.49Å; A553-F807 HydrophobicContact CB-CD1 4.23Å; A553-F807 HydrophobicContact CB-CE1 3.67Å; A553-F807 HydrophobicContact CB-CZ 3.87Å; A553-F807 WeakPolarHBondContact CB-O 3.27Å; F554-F807 WeakPolarHBondContact O-CE1 3.29Å; Q555-F807 HydrophobicContact CB-CD1 4.26Å; L560-F807 HydrophobicContact CB-CD1 4.36Å; L560-F807 HydrophobicContact CB-CE1 3.79Å; L560-F807 HydrophobicContact CB-CE2 4.07Å; L560-F807 HydrophobicContact CB-CZ 3.65Å; L560-F807 HydrophobicContact CD1-CD2 3.95Å; L560-F807 HydrophobicContact CD1-CE2 3.91Å; L560-F807 HydrophobicContact CD1-CG 4.43Å; L560-F807 HydrophobicContact CD1-CZ 4.36Å; L560-F807 HydrophobicContact CD2-CB 4.47Å; L560-F807 HydrophobicContact CD2-CD1 3.8Å; L560-F807 HydrophobicContact CD2-CD2 4.23Å; L560-F807 HydrophobicContact CD2-CE1 4.12Å; L560-F807 HydrophobicContact CD2-CG 3.87Å; L560-F807 HydrophobicContact CD2-CZ 4.5Å; L560-F807 HydrophobicContact CG-CD2 4.49Å; L560-F807 HydrophobicContact CG-CE1 4.43Å; L560-F807 HydrophobicContact CG-CE2 4.4Å; L560-F807 HydrophobicContact CG-CZ 4.39Å; F562-F807 HydrophobicContact CD1-CE2 4.46Å; F562-F807 HydrophobicContact CD1-CZ 4.24Å; F562-F807 HydrophobicContact CD2-CE2 4.43Å; F562-F807 AromaticContact CD2-CZ 3.93Å; F562-F807 HydrophobicContact CD2-CZ 3.93Å; F562-F807 AromaticContact CE1-CE2 3.86Å; F562-F807 HydrophobicContact CE1-CE2 3.86Å; F562-F807 HydrophobicContact CE1-CZ 4.07Å; F562-F807 AromaticContact CE2-CE2 3.8Å; F562-F807 HydrophobicContact CE2-CE2 3.8Å; F562-F807 AromaticContact CE2-CZ 3.73Å; F562-F807 HydrophobicContact CE2-CZ 3.73Å; F562-F807 HydrophobicContact CG-CZ 4.19Å; F562-F807 AromaticContact CZ-CE2 3.5Å; F562-F807 HydrophobicContact CZ-CE2 3.5Å; F562-F807 AromaticContact CZ-CZ 3.83Å; F562-F807 HydrophobicContact CZ-CZ 3.83Å; F804-F807 WeakPolarHBondContact O-CB 3.46Å; F804-F807 PolarHBondContact O-N 2.95Å; F804-F807 VanDerWaalsContact O-N 3.13Å; A805-F807 PolarHBondContact O-N 3.25Å; F807-C809 PolarHBondContact O-N 3.14Å
808D95.4Very high79.9Confident65 Ų6572.5 Ų72.535%0.34841%0.407SS..  trans-80.6122.6-172.6-76.532.2000110.7I480 A553 Q555I480-D808 HydrophobicContact CD1-CB 4.12Å; A553-D808 WeakPolarHBondContact O-CA 3.28Å; Q555-D808 VanDerWaalsContact CG-OD1 3.22Å; Q555-D808 WeakPolarHBondContact CG-OD1 3.5Å; Q555-D808 PolarHBondContact N-OD1 2.72Å; Q555-D808 VanDerWaalsContact N-OD1 3.11Å; Q555-D808 PolarHBondContact N-OD2 2.96Å; Q555-D808 PolarHBondContact NE2-OD1 3.33Å
809C94.2Very high78.5Confident21 Ų2171.7 Ų71.714%0.14239%0.386CS..EExtended strand (participates in β ladder)trans-153.2145.917968.80000113.3R535 C552 A553 F807R535-C809 PolarHBondContact NH1-SG 2.84Å; R535-C809 VanDerWaalsContact NH1-SG 3.37Å; C552-C809 CarbonylContact C-O 3.51Å; C552-C809 WeakPolarHBondContact CA-O 3.22Å; C552-C809 VanDerWaalsContact CB-O 3.3Å; C552-C809 WeakPolarHBondContact CB-O 3.47Å; A553-C809 PolarHBondContact N-O 3.36Å; A553-C809 PolarHBondContact O-N 3.45Å; F807-C809 PolarHBondContact O-N 3.14Å
810F93.1Very high76.8Confident77 Ų7774.1 Ų74.134%0.33840%0.397SS..EExtended strand (participates in β ladder)trans-103.5130.4164-176.5-88.5000108.9I480 Y551 C552 V812I480-F810 HydrophobicContact CG1-CB 4.4Å; Y551-F810 HydrophobicContact CD2-CE2 4.28Å; Y551-F810 HydrophobicContact CD2-CZ 4.49Å; Y551-F810 AromaticContact CE2-CE2 3.55Å; Y551-F810 HydrophobicContact CE2-CE2 3.55Å; Y551-F810 AromaticContact CE2-CZ 3.76Å; Y551-F810 HydrophobicContact CE2-CZ 3.76Å; Y551-F810 AromaticContact CZ-CE2 3.72Å; C552-F810 HydrophobicContact CB-CD2 4.33Å; F810-V812 HydrophobicContact CD1-CG1 4.26Å; F810-V812 PolarHBondContact O-N 3.26Å
811N92.6Very high74.6Confident3 Ų375.4 Ų75.42%0.01640%0.401CS..  trans-86.6104.4-178.9-170.61.2000110.6V539 L550 Y551 D813 Y814V539-N811 PolarHBondContact O-ND2 3.02Å; L550-N811 VanDerWaalsContact O-CB 3.23Å; L550-N811 WeakPolarHBondContact O-CB 3.33Å; L550-N811 PolarHBondContact O-ND2 2.83Å; Y551-N811 WeakPolarHBondContact O-CB 3.45Å; Y551-N811 PolarHBondContact O-N 3.29Å; N811-D813 VanDerWaalsContact C-N 3.27Å; N811-D813 PolarHBondContact O-N 3.41Å; N811-D813 PolarHBondContact OD1-N 2.88Å; N811-Y814 WeakPolarHBondContact O-CB 3.29Å; N811-Y814 PolarHBondContact O-N 3.31Å
812V88.7Confident71.8Confident110 Ų11076.5 Ų76.567%0.66741%0.412SS*.THydrogen-bonded Turntrans-68.8-26.4178.8-63.90000112.9F810 Y814F810-V812 HydrophobicContact CD1-CG1 4.26Å; F810-V812 PolarHBondContact O-N 3.26Å; V812-Y814 VanDerWaalsContact C-N 3.27Å; V812-Y814 PolarHBondContact O-N 3.48Å
813D87.2Confident68.9Low77 Ų7779.6 Ų79.641%0.41242%0.415SS..THydrogen-bonded Turntrans-80.4-7.9177.5-61.7-79000112.8A542 H543 N811 S815A542-D813 HydrophobicContact CB-CB 4.3Å; H543-D813 IonicContact CE1-OD1 3.42Å; H543-D813 PolarHBondContact CE1-OD1 3.48Å; N811-D813 VanDerWaalsContact C-N 3.27Å; N811-D813 PolarHBondContact O-N 3.41Å; N811-D813 PolarHBondContact OD1-N 2.88Å; D813-S815 PolarHBondContact O-N 3.03Å
814Y83.3Confident66.1Low72 Ų7282.9 Ų82.928%0.28244%0.437SS..  trans-71.970.2168.1-165.9-89.7000110.2F512 A549 L550 Y551 E565 N811 V812F512-Y814 HydrophobicContact CE1-CE1 4.15Å; A549-Y814 HydrophobicContact CB-CD2 4Å; A549-Y814 HydrophobicContact CB-CE2 4.16Å; L550-Y814 WeakPolarHBondContact O-CD2 3.34Å; Y551-Y814 AromaticContact CD2-CD1 3.42Å; Y551-Y814 HydrophobicContact CD2-CD1 3.42Å; Y551-Y814 VanDerWaalsContact CD2-CD1 3.42Å; Y551-Y814 AromaticContact CD2-CE1 3.68Å; Y551-Y814 HydrophobicContact CD2-CE1 3.68Å; Y551-Y814 HydrophobicContact CD2-CG 4.09Å; Y551-Y814 HydrophobicContact CE2-CD1 4.26Å; Y551-Y814 HydrophobicContact CG-CD1 4.17Å; Y551-Y814 HydrophobicContact CG-CE1 4.08Å; E565-Y814 HydrophobicContact CB-CE2 4.33Å; N811-Y814 WeakPolarHBondContact O-CB 3.29Å; N811-Y814 PolarHBondContact O-N 3.31Å; V812-Y814 VanDerWaalsContact C-N 3.27Å; V812-Y814 PolarHBondContact O-N 3.48Å
815S59.6Low63.2Low82 Ų8287.4 Ų87.457%0.57347%0.469SS*.  trans-131.4106.4-174.968.60000113.5D813 M817D813-S815 PolarHBondContact O-N 3.03Å; S815-M817 VanDerWaalsContact C-N 3.25Å; S815-M817 PolarHBondContact O-N 3.5Å
816V47.5Very low60.5Low127 Ų12791.3 Ų91.377%0.7748%0.475SS*.  trans4818.6150-142.20000119.5R818V816-R818 HydrophobicContact CG1-CG 4.23Å; V816-R818 PolarHBondContact O-N 3.37Å
817M37.3Very low57.7Low146 Ų14691.7 Ų91.772%0.71947%0.473SS*.  trans-6975.9150.4-86.5-155169.800109.4S815 Y819S815-M817 VanDerWaalsContact C-N 3.25Å; S815-M817 PolarHBondContact O-N 3.5Å; M817-Y819 HydrophobicContact CB-CD2 4.13Å; M817-Y819 HydrophobicContact CB-CE2 4.04Å; M817-Y819 HydrophobicContact CG-CE2 4.29Å; M817-Y819 PolarHBondContact O-N 2.98Å; M817-Y819 HydrophobicContact SD-CD2 4.45Å; M817-Y819 HydrophobicContact SD-CE2 3.46Å; M817-Y819 WeakPolarHBondContact SD-CE2 3.41Å
818R44.8Very low54.4Low158 Ų158100.2 Ų100.260%0.59651%0.513SS*.  trans-68.575.3169-75-175.1176.1165.70.1109.9V816 H820V816-R818 HydrophobicContact CG1-CG 4.23Å; V816-R818 PolarHBondContact O-N 3.37Å; R818-H820 PolarHBondContact O-N 3.49Å
819Y38.6Very low51.1Low65 Ų65102.1 Ų102.126%0.25553%0.528SS..  trans-71.939.1157.7-68.7-63.7000111.5P545 R757 M817P545-Y819 HydrophobicContact CB-CE2 4.06Å; R757-Y819 HydrophobicContact CB-CD1 3.99Å; R757-Y819 HydrophobicContact CB-CE1 3.84Å; R757-Y819 HydrophobicContact CG-CD1 4.36Å; R757-Y819 HydrophobicContact CG-CE1 4.3Å; R757-Y819 PolarHBondContact NH2-O 3.28Å; R757-Y819 VanDerWaalsContact NH2-O 3.13Å; M817-Y819 HydrophobicContact CB-CD2 4.13Å; M817-Y819 HydrophobicContact CB-CE2 4.04Å; M817-Y819 HydrophobicContact CG-CE2 4.29Å; M817-Y819 PolarHBondContact O-N 2.98Å; M817-Y819 HydrophobicContact SD-CD2 4.45Å; M817-Y819 HydrophobicContact SD-CE2 3.46Å; M817-Y819 WeakPolarHBondContact SD-CE2 3.41Å
820H36.2Very low48.1Very low71 Ų71108.7 Ų108.733%0.32956%0.562SS.*SBendtrans-142.794.6-168-75.7-6.6000111.3R818 T822R818-H820 PolarHBondContact O-N 3.49Å; H820-T822 PolarHBondContact O-N 2.96Å
821T35.1Very low45Very low67 Ų67113.7 Ų113.741%0.41159%0.586SS.*SBendtrans69.638.4136.565.60000119.1A620 E621A620-T821 HydrophobicContact CB-CG2 3.6Å; E621-T821 HydrophobicContact CG-CG2 4.45Å; E621-T821 PolarHBondContact OE1-N 3.12Å
822T28.9Very low41.9Very low90 Ų90117.7 Ų117.755%0.55261%0.614SS**  trans-143.1156.6155.523.90000112.3H820H820-T822 PolarHBondContact O-N 2.96Å
823R28.1Very low39.2Very low187 Ų187118.8 Ų118.871%0.70662%0.621SS**  trans-65.4145.9179.3-70.2-178.7177.6174.1-0.4111S825 Q826R823-S825 PolarHBondContact O-N 3.18Å; R823-Q826 PolarHBondContact O-N 3.14Å
824P30.4Very low36.6Very low122 Ų122123.1 Ų123.179%0.79264%0.642SS**G310 helixtrans-56.9-17.3172.6-26.935.3000115.1Q826P824-Q826 VanDerWaalsContact C-N 3.34Å; P824-Q826 PolarHBondContact O-N 2.89Å
825S31.9Very low33.9Very low95 Ų95123.8 Ų123.866%0.66467%0.671SS**G310 helixtrans-86.414-173.768.80000115.6R823R823-S825 PolarHBondContact O-N 3.18Å
826Q33.3Very low32.5Very low153 Ų153123 Ų12372%0.71568%0.676SS**G310 helixtrans-135.610.6-177.1-72.9-173.6-49.500114.4R823 P824 Q828R823-Q826 PolarHBondContact O-N 3.14Å; P824-Q826 VanDerWaalsContact C-N 3.34Å; P824-Q826 PolarHBondContact O-N 2.89Å; Q826-Q828 PolarHBondContact O-N 3.05Å
827Q29.6Very low31.6Very low138 Ų138124 Ų12465%0.64568%0.676SS**  trans-86.494.7178.6-66.1-177.6-4.600111.2
828Q26Very low31.4Very low178 Ų178127.4 Ų127.483%0.83268%0.683SS**  trans-81.6140.4152.2-76.7-175.3-25.400108.8Q826 L830Q826-Q828 PolarHBondContact O-N 3.05Å; Q828-L830 PolarHBondContact O-N 3.3Å
829P27.6Very low30.7Very low105 Ų105126.5 Ų126.568%0.68270%0.695SS**  trans-67.9130.9173.2-15.829.8000110.8Q831P829-Q831 HydrophobicContact CB-CG 4.19Å; P829-Q831 PolarHBondContact O-N 2.63Å
830L29.6Very low30.6Very low160 Ų160129.3 Ų129.384%0.83872%0.724SS**  trans-79.358.1166.9-92.3167000111Q828 S832Q828-L830 PolarHBondContact O-N 3.3Å; L830-S832 PolarHBondContact O-N 3.37Å; L830-S832 VanDerWaalsContact O-N 3.12Å
831Q28.4Very low30.5Very low182 Ų182131.3 Ų131.385%0.8575%0.746SS**  trans-80.472.6165.1-74.4-176.3-4500109.2P829P829-Q831 HydrophobicContact CB-CG 4.19Å; P829-Q831 PolarHBondContact O-N 2.63Å
832S27.9Very low30.7Very low87 Ų87134.3 Ų134.361%0.60877%0.766SS**  trans-144.625.3-175.271.50000116.1L830L830-S832 PolarHBondContact O-N 3.37Å; L830-S832 VanDerWaalsContact O-N 3.12Å
833V32.3Very low30.8Very low132 Ų132135 Ų13580%0.877%0.771SS**SBendtrans-138.4151.7153.9-168.90000106.7
834I32.3Very low31.2Very low168 Ų168135.7 Ų135.786%0.86278%0.775SS**  trans64.262.8-170.6-39.6178.2000112.5
835G27.4Very low31.4Very low86 Ų86136.9 Ų136.989%0.88777%0.774SS**  trans-107.4111.6161.400000110.3
836G28.6Very low31.3Very low67 Ų67139 Ų13969%0.69178%0.778SS**  trans169.192.9176.600000115.6
837L29.7Very low31.3Very low147 Ų147136.9 Ų136.977%0.7778%0.78SS**  trans68.8145.2170.6-45.9169.8000113.5
838Y32.9Very low31.6Very low218 Ų218133.7 Ų133.786%0.85578%0.784SS**  cis-128.5162.916.3-66.4-98.3000112.4
839T29.2Very low31.8Very low138 Ų138130.4 Ų130.485%0.84778%0.781SS**  trans-121.4118.4-174.852.50000113.5
840S37.7Very low32.2Very low124 Ų124135.9 Ų135.987%0.86779%0.794SS**  trans-163.4113.3155.641.50000112
841S33.7Very low32.4Very low113 Ų113132.3 Ų132.379%0.7979%0.788SS**  trans-86.4172.9166.1-49.70000110.6
842P38.6Very low33Very low130 Ų130129.9 Ų129.984%0.84479%0.788SS**  -138.7163.194.937.4-25.4000115.7
843T32.7Very low33.4Very low105 Ų105131.6 Ų131.664%0.64480%0.8SS**  trans-85.7174.9178.146.90000113.7
844Y36.5Very low33.5Very low202 Ų202130.5 Ų130.579%0.79280%0.798SS**  trans137.2102.1140.4-77.1-73.7000110.3
845L33.8Very low34.3Very low147 Ų147128.4 Ų128.477%0.7780%0.795SS**  98.382.267.9-103165.1000114.6
846N30.7Very low34.8Very low139 Ų139130.3 Ų130.374%0.74379%0.792SS**  50144.9129.5-15824.2000123.6
847S33.4Very low35Very low109 Ų109132.7 Ų132.776%0.76280%0.798SS**  trans83.6141.1149.571.40000121
848G33.9Very low35.2Very low70 Ų70132.6 Ų132.672%0.72280%0.804SS**  trans108.178-177.700000112.7
849S31.8Very low35.1Very low110 Ų110128.4 Ų128.477%0.76980%0.8SS**  6499.161.4-500000114.5
850F35.3Very low35.2Very low220 Ų220129.8 Ų129.897%0.96580%0.802SS**  -169.6177.5125-112.1-76.3000111.9
851A34Very low34.8Very low85 Ų85127.9 Ų127.970%0.70279%0.788SS**  trans-107.3169.1-153.700000114.8
852P41.6Very low34.9Very low131 Ų131130.3 Ų130.385%0.85179%0.793SS**  trans-94.7171.7-165.538.3-36.5000115.2
853S36.3Very low34.6Very low123 Ų123129.5 Ų129.586%0.8679%0.79SS**  trans-144.3167.9170.560.40000112.8
854S33Very low35Very low109 Ų109129 Ų12976%0.76279%0.789SS**  trans-106163.2-157.640.60000115.6
855P49.4Very low34.9Very low124 Ų124129.1 Ų129.181%0.80579%0.793SS**  trans-84.3164.7178.835.7-37.7000113.5
856P38.2Very low35Very low126 Ų126126.2 Ų126.282%0.81879%0.791SS**  trans-135.5163.7142.437.9-25.8000114.1
857S32.8Very low35.3Very low117 Ų117128.1 Ų128.182%0.81880%0.797SS**  trans-100.5142.3-177.6-38.50000112.7
858T34.3Very low35.4Very low145 Ų145127.4 Ų127.489%0.8980%0.798SS**  trans-148.7131.8150.8-11.20000115.4
859V29.5Very low35.6Very low129 Ų129128.1 Ų128.178%0.78280%0.797SS**  trans-47.7139.5169.4175.60000115.1
860L32.1Very low35.7Very low168 Ų168128.5 Ų128.588%0.8880%0.795SS**  -168.9161.1128-107.4151.3000113.2
861S30Very low35.8Very low84 Ų84123.8 Ų123.859%0.58778%0.784SS**  trans-111151.2-167.255.70000113.6
862N34.3Very low35.8Very low164 Ų164124.5 Ų124.588%0.87778%0.783SS**  -179.5165.3123.6-87.7-20.1000113.5
863S32.6Very low35.6Very low113 Ų113126 Ų12679%0.7978%0.778SS**  trans-114.5-167.7-180-149.30000108.9
864P41.9Very low35.8Very low95 Ų95123.9 Ų123.962%0.61776%0.764SS**  cis-144.8-170-2.145.5-26.6000117.1
865K34.3Very low36.1Very low203 Ų203123.9 Ų123.988%0.88376%0.764SS**  trans68.7158.6156.2-74.6173.1-178.1178.20117.4
866A35Very low35.6Very low87 Ų87123.3 Ų123.372%0.71976%0.763SS**  cis-158.1-174.6-17.800000106.8
867M37.3Very low35.6Very low179 Ų179122 Ų12288%0.88276%0.757SS**  cis-141.216417.5-81.9-172.2-177.700108.9
868A36Very low35.9Very low94 Ų94123.2 Ų123.278%0.77775%0.752SS**  cis87.4142.146.500000114.4
869A37.1Very low36.1Very low85 Ų85124.2 Ų124.270%0.70275%0.747SS**  cis-136.8-149.65.500000110.6
870T35.5Very low36.5Very low118 Ų118124 Ų12472%0.72475%0.746SS**  cis-166147.211.4-8.80000111.5
871T36.9Very low37.1Very low121 Ų121121 Ų12174%0.74274%0.736SS**  trans42.5139.1144.856.50000122.7
872C34.4Very low37.4Very low100 Ų100121.8 Ų121.868%0.67674%0.741SS**  cis-173.51764.6-98.80000106.6
873E37.1Very low37.6Very low161 Ų161120.7 Ų120.775%0.75274%0.741SS**  cis-177.3177.1-20.5-103.2-163.971.800107.5
874S39.8Very low38.2Very low79 Ų79120.7 Ų120.755%0.55274%0.738SS**  cis-168.6178-30.5610000109.7
875S39.8Very low38.1Very low109 Ų109122.9 Ų122.976%0.76275%0.745SS**  trans71.3142.3166.4-51.20000118
876S39.1Very low38.3Very low112 Ų112119.2 Ų119.278%0.78374%0.735SS**  cis-178168.9-9.849.90000108.7
877S37.5Very low38.2Very low100 Ų100120.1 Ų120.170%0.69973%0.734SS**  cis-172.3-169.8-29.557.80000110.4
878I39.9Very low38.2Very low141 Ų141118.8 Ų118.872%0.72373%0.731SS**  trans93105.6156.8-67.4166.3000122.6
879H38.5Very low38.4Very low167 Ų167119.2 Ų119.277%0.77373%0.726SS**  trans59.8150.9134.6-75.7-101.9000124.1
880V38.1Very low38.2Very low125 Ų125124.1 Ų124.176%0.75873%0.731SS**  cis-166170.4-19105.80000110.5
881P43.4Very low38Very low104 Ų104123.8 Ų123.868%0.67573%0.729SS**  trans-130-167.8-152.747.8-38.7000119.6
882S36.8Very low37.9Very low100 Ų100125.6 Ų125.670%0.69973%0.734SS**  trans90.2128.1141.771.50000123.3
883T39.7Very low37.8Very low142 Ų142126.1 Ų126.187%0.87174%0.739SS**  178.1157.7117.127.20000112.7
884P45.1Very low37.9Very low112 Ų112123.6 Ų123.673%0.72774%0.736SS**  trans-117.2173179.742.3-32.8000114.5
885D38.9Very low37.5Very low141 Ų141127.4 Ų127.475%0.75475%0.75SS**  -179.4147.3128.7-113.71000119.8
886N39Very low37.2Very low127 Ų127127.2 Ų127.268%0.67975%0.749SS**  trans63.6126.4139.5-82.1-45.4000128.3
887C32.9Very low36.8Very low105 Ų105131.4 Ų131.471%0.70975%0.753SS**  94.294124.3-80.40000126
888N36Very low36.9Very low152 Ų152131.4 Ų131.481%0.81375%0.751SS**  85.6141.1113.1-122.48.4000122.1
889P40.8Very low36.7Very low102 Ų102131.5 Ų131.566%0.66275%0.753SS**  trans-113174.9-177.242.8-34.3000115
890K33.8Very low36.5Very low189 Ų189129.3 Ų129.382%0.82276%0.756SS**  trans-173.1120.3146.8-106.5153.3-172.3176.30117
891T31.3Very low36.3Very low110 Ų110126.7 Ų126.768%0.67575%0.754SS**  39118.612962.90000122.2
892N34.5Very low35.9Very low159 Ų159128.7 Ų128.785%0.8577%0.765SS**  171.1145.9104.3-88.8-22.6000114.7
893S31.2Very low35.6Very low111 Ų111128.6 Ų128.678%0.77676%0.764SS**  trans-110.5-163.3167.5-35.40000108.8
894P40.1Very low35.2Very low108 Ų108127.7 Ų127.770%0.70176%0.762SS**  cis-133.5-153.8-17.127.1-0.9000112.3
895L31.8Very low34.5Very low160 Ų160130.2 Ų130.284%0.83877%0.769SS**  trans79.9146.6161.9-51.8175.6000117.1
896S33.7Very low34.2Very low105 Ų105128.6 Ų128.673%0.73477%0.768SS**  cis-161.9166.2-10.443.70000113.1
897F29.6Very low34.1Very low200 Ų200130.9 Ų130.988%0.87778%0.775SS**  trans-63.3-177.4169.7-68.1-89.9000113.7
898P40.7Very low34.1Very low100 Ų100130.6 Ų130.665%0.64977%0.774SS**  cis-146.4-176.711.445.4-25.1000119.8
899D34.3Very low34Very low142 Ų142128.4 Ų128.476%0.75977%0.771SS**  trans83.4126.9136-79.3-35000127.4
900S35Very low33.5Very low122 Ų122129.3 Ų129.385%0.85378%0.778SS**  trans76.2148.7138.776.50000120.6
901G34.8Very low33.5Very low69 Ų69128.1 Ų128.171%0.71178%0.781SS**  trans173.5-13177.200000122.1
902T34.6Very low33.4Very low146 Ų146129 Ų12990%0.89679%0.786SS**  trans65.9154.3167.3-48.90000118.2
903S29.6Very low33.5Very low99 Ų99127 Ų12769%0.69278%0.784SS**  trans-83.7155.8-179.253.40000114.3
904C31.6Very low33.5Very low123 Ų123131.7 Ų131.783%0.83179%0.785SS**  -172.7126.6123.2-97.30000115.6
905L30.8Very low33.2Very low164 Ų164134.9 Ų134.986%0.85980%0.795SS**  trans-5.2138158.5-65.9162.3000122.2
906S33Very low33.4Very low107 Ų107132.2 Ų132.275%0.74879%0.786SS**  116.2126.7124.173.70000121.7
907H35.5Very low33.4Very low175 Ų175133.8 Ų133.881%0.8179%0.785SS**  trans69.792143-79.2-121000122.8
908S33.7Very low34Very low100 Ų100130 Ų13070%0.69978%0.78SS**  98.315311483.20000121.7
909S34.6Very low33.7Very low106 Ų106130.3 Ų130.374%0.74178%0.784SS**  trans84.294.9151.3-50.60000120
910C29.5Very low33.9Very low121 Ų121126.7 Ų126.782%0.81878%0.781SS**  trans21126.6143-54.70000121.3
911N33.1Very low33.9Very low164 Ų164129.8 Ų129.888%0.87778%0.782SS**  -166.3162.7104.7-107.3-35.9000115
912T30.9Very low34.1Very low128 Ų128132.5 Ų132.579%0.78579%0.785SS**  trans-99.8145.1-171.1-18.70000113.4
913S36Very low34.3Very low116 Ų116130.5 Ų130.581%0.81177%0.772SS**  trans-171.1163.5157.5-84.80000112.8
914R31.9Very low34.6Very low210 Ų210132.8 Ų132.879%0.79278%0.777SS**  cis-177.1113.7-36-173-178.7-155.1-110.39.2110
915L33.4Very low34.9Very low175 Ų175131.9 Ų131.992%0.91677%0.772SS**  trans-148.4113164.6-79.9171.3000106.6
916T35.1Very low35.3Very low104 Ų104129.8 Ų129.864%0.63877%0.771SS**  cis123.7133.320.7-72.30000107.5
917I34.1Very low35.5Very low139 Ų139132.1 Ų132.171%0.71377%0.773SS**  trans-117.4168.9-165.3-21.5175.7000110.6
918P41.7Very low35.8Very low120 Ų120129.8 Ų129.878%0.77977%0.774SS**  -143.6159.8100.838.1-24.4000114
919S34.4Very low36.4Very low106 Ų106130.5 Ų130.574%0.74178%0.776SS**  cis106.5110.56.8-590000117.5
920G38.6Very low36.7Very low66 Ų66131.9 Ų131.968%0.6878%0.78SS**  trans-160.1126.6158.600000107.7
921Q35.6Very low37.2Very low188 Ų188134.8 Ų134.888%0.87978%0.781SS**  63.6130.273.1-63.5-168.522.500113
922T37.9Very low37.4Very low126 Ų126132.8 Ų132.877%0.77378%0.78SS**  cis-119-129.222.651.30000117.6
923T39Very low37.6Very low103 Ų103131.1 Ų131.163%0.63278%0.779SS**  -156148.6-129.454.60000119.8
924N35.5Very low37.7Very low148 Ų148130.6 Ų130.679%0.79177%0.773SS**  trans69.4153.1154.1-52.7-17.8000117.4
925S39Very low38Very low103 Ų103126.5 Ų126.572%0.7277%0.772SS**  cis-160.6160.634.1-51.70000116.2
926S38.1Very low38.2Very low120 Ų120123.2 Ų123.284%0.83976%0.763SS**  trans72.1138.8147.247.10000123.1
927I37.9Very low38.4Very low156 Ų156123.6 Ų123.680%0.877%0.768SS**  trans-137.2142.2-175.5-69156.5000106.1
928P42.5Very low38.4Very low127 Ų127124.2 Ų124.283%0.82578%0.778SS**  -151.1161.9106.335.6-15.7000117.4
929P46.3Very low37.8Very low114 Ų114128.6 Ų128.674%0.7478%0.779SS**  trans-115.3178.2-173.743.2-34.3000115.1
930T39.7Very low37.8Very low136 Ų136129.4 Ų129.483%0.83478%0.784SS**  trans-134.6143.1167.1460000114.6
931H39.9Very low37.4Very low182 Ų182133.5 Ų133.584%0.84379%0.786SS**  trans-46.5150.4179.6-58-98.9000115.2
932S38.5Very low37.2Very low122 Ų122129.8 Ų129.885%0.85378%0.781SS**  -174.8157.970.541.80000115.2
933A34.3Very low36.7Very low92 Ų92131.6 Ų131.676%0.7679%0.786SS**  trans-147.8174.2167.600000106.7
934P39.2Very low36.3Very low105 Ų105134.7 Ų134.768%0.68280%0.796SS**  -159.2-171.665.740.1-16.3000117.4
935T37.8Very low36.2Very low125 Ų125133.3 Ų133.377%0.76779%0.793SS**  trans68.2147.5146.251.30000121.3
936S37.5Very low35.7Very low106 Ų106133.1 Ų133.174%0.74180%0.798SS**  cis-164.7-162.8-17.1660000109.9
937P39.1Very low35.3Very low112 Ų112138.4 Ų138.473%0.72780%0.801SS**  -128.2170-124.935-12.2000116.9
938T33.9Very low35Very low152 Ų152134 Ų13493%0.93380%0.795SS**  trans-131.9154152.239.40000111.1
939R30.1Very low34.5Very low212 Ų212134.9 Ų134.980%0.879%0.792SS**  trans-143.1119.4-158.5170.3-172.5173.7-173.11.1110.3
940S32.9Very low33.8Very low122 Ų122138.9 Ų138.985%0.85380%0.798SS**  trans-145.5138.5166.653.90000111
941H30.3Very low33.5Very low152 Ų152136.1 Ų136.170%0.70479%0.789SS**  trans-90.3146.9-171.1-68-134000111.4
942S31.5Very low33Very low111 Ų111134.4 Ų134.478%0.77678%0.783SS**  -170.2128.6126.646.40000110.6
943N27.8Very low32.8Very low164 Ų164134.7 Ų134.788%0.87778%0.78SS**  trans-79.7137.3169.6-63.5-21.6000108.9
944I30.8Very low32.8Very low167 Ų167138.4 Ų138.486%0.85678%0.779SS**  trans-127.8124.7151.7-66.5-176.2000107.1
945T32.3Very low32.4Very low119 Ų119144.7 Ų144.773%0.7379%0.789SS**  trans-75.4157.2179.438.30000112.1
946A29Very low32.3Very low99 Ų99147.3 Ų147.382%0.81880%0.798SS**  trans-63.2139.1169.900000111.6
947Y29.6Very low32.1Very low231 Ų231145.1 Ų145.191%0.90679%0.786SS**  trans-163.3129.2165.6-123-80.1000110.1
948G30.9Very low31.6Very low64 Ų64151.1 Ų151.166%0.6680%0.804SS**  trans76.2122.4177.500000114.2
949D31.8Very low31.5Very low145 Ų145151.1 Ų151.178%0.77580%0.798SS**  cis67.3123.63.5-134.63.2000115.7
950K33Very low31.5Very low198 Ų198147.8 Ų147.886%0.86180%0.797SS**  trans59.845.3169.1-53.5-172.9180-175.20118.7
951A32.6Very low31.4Very low79 Ų79149.3 Ų149.365%0.65379%0.794SS**  trans-121.1-13.3176.200000116.7
952M30.9Very low31.5Very low146 Ų146149.1 Ų149.172%0.71980%0.8SS**SBendtrans-76.7-38.3-173.1-157.98916300112.8K954M952-K954 PolarHBondContact O-N 2.82Å
953T33.8Very low31.5Very low128 Ų128151.5 Ų151.579%0.78580%0.801SS**THydrogen-bonded Turntrans-81.629.5-169.5-17.60000114.9
954K33Very low31.8Very low170 Ų170150.7 Ų150.774%0.73980%0.796SS**THydrogen-bonded Turntrans-145.514.2-173.3-135177.5-175.3-179.20117M952M952-K954 PolarHBondContact O-N 2.82Å
955W32.1Very low31.8Very low236 Ų236149.5 Ų149.589%0.89479%0.792SS**SBendtrans-110.66.9178-103.478.4000114.8
956L36Very low31.8Very low180 Ų180151.8 Ų151.894%0.94280%0.796SS**SBendtrans-116.921.5171.4-70.5169.3000112.1
957A32.9Very low32Very low61 Ų61156.3 Ų156.350%0.50480%0.795SS.*  trans-12019.4-174.700000113.4
958H27.5Very low32.2Very low237 Ų237149.5 Ų149.5100%1.09779%0.785SS**  trans-144.10-178.7-102-72.9000110.2

Retrieved 958 of 958 residues in 1091.8 ms (Link to these results)

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