A0A077Z9U1_TRITR Loading...

Major sperm protein

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

AlphaFold DB , UniProt , Accession A0A077Z9U1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 270 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
1M83.3Confident91.4Very high166 Ų16684.4 Ų84.482%0.81842%0.42SS*.  0121.60-178.7-180-178.600107.2K3 E90M1-K3 PolarHBondContact O-N 2.94Å; M1-E90 WeakPolarHBondContact CA-OE1 3.25Å; M1-E90 PolarHBondContact N-OE1 2.93Å; M1-E90 PolarHBondContact N-OE2 3.27Å; M1-E90 VanDerWaalsContact N-OE2 3.08Å
2V90.2Very high91.3Very high18 Ų1877.4 Ų77.411%0.10939%0.385CS..  trans-60.8126.8-177.31800000108.7L4 L36 A88 E90 E111 F113V2-L4 HydrophobicContact CG1-CB 4.14Å; V2-L36 HydrophobicContact CB-CD2 4.38Å; V2-L36 HydrophobicContact CG1-CD1 3.87Å; V2-L36 HydrophobicContact CG1-CD2 3.95Å; V2-L36 HydrophobicContact CG2-CD2 4.07Å; V2-A88 HydrophobicContact CG1-CB 4.1Å; V2-E90 HydrophobicContact CG2-CG 3.98Å; V2-E90 PolarHBondContact N-OE1 3.16Å; V2-E111 HydrophobicContact CB-CB 4.44Å; V2-F113 HydrophobicContact CG1-CE2 3.97Å; V2-F113 HydrophobicContact CG1-CZ 3.87Å
3K94.1Very high91.1Very high122 Ų12280.9 Ų80.953%0.5340%0.4SS..  trans-12384.4172.5-66.4-174.2178.1-174.70107.9M1 A31M1-K3 PolarHBondContact O-N 2.94Å; K3-A31 HydrophobicContact CB-CB 4Å; K3-A31 PolarHBondContact O-N 3.39Å
4L95.9Very high90.9Very high13 Ų1375.5 Ų75.57%0.06837%0.373CS..EExtended strand (participates in β ladder)trans-104.8120.6178.7-171.473.7000109.2V2 L28 Y29 L36 I57 I86 A88 F113V2-L4 HydrophobicContact CG1-CB 4.14Å; L4-L28 HydrophobicContact CD1-CB 4.19Å; L4-Y29 WeakPolarHBondContact CA-O 3.45Å; L4-L36 HydrophobicContact CB-CD1 4.32Å; L4-L36 HydrophobicContact CD1-CD1 3.97Å; L4-I57 HydrophobicContact CD1-CD1 3.92Å; L4-I86 HydrophobicContact CD2-CB 4.44Å; L4-I86 HydrophobicContact CD2-CG2 3.84Å; L4-A88 HydrophobicContact CD2-CB 4.03Å; L4-F113 HydrophobicContact CB-CD1 4.5Å; L4-F113 HydrophobicContact CB-CD2 4.45Å; L4-F113 HydrophobicContact CB-CE1 4.03Å; L4-F113 HydrophobicContact CB-CE2 3.99Å; L4-F113 HydrophobicContact CB-CZ 3.77Å; L4-F113 HydrophobicContact CD2-CD2 3.87Å; L4-F113 HydrophobicContact CD2-CE2 4.11Å; L4-F113 HydrophobicContact CD2-CG 4.23Å
5E95.9Very high90.2Very high101 Ų10172.4 Ų72.447%0.47236%0.36SS..EExtended strand (participates in β ladder)trans-100.5135.3173.3-65.4173-174.100109.3L28 Y29E5-L28 CarbonylContact O-C 3.56Å; E5-L28 WeakPolarHBondContact O-CA 3.47Å; E5-Y29 PolarHBondContact N-O 3.38Å; E5-Y29 PolarHBondContact O-N 3.18Å; E5-Y29 WeakPolarHBondContact OE2-CD1 3.48Å
6V95.4Very high89.1Confident27 Ų2769.9 Ų69.916%0.16435%0.348CS..EExtended strand (participates in β ladder)trans-115.8122-178.3-175.50000108.4P8 E9 I26 L28 I86 L115V6-P8 CarbonylContact O-C 3.59Å; V6-E9 WeakPolarHBondContact O-CA 3.46Å; V6-E9 PolarHBondContact O-N 2.96Å; V6-I26 HydrophobicContact CG1-CB 4.49Å; V6-I26 HydrophobicContact CG1-CD1 4.36Å; V6-L28 HydrophobicContact CB-CD2 4.46Å; V6-L28 HydrophobicContact CG1-CD2 4.16Å; V6-L28 HydrophobicContact CG2-CD2 3.92Å; V6-I86 HydrophobicContact CG1-CD1 4.21Å; V6-I86 HydrophobicContact CG2-CD1 3.85Å; V6-L115 HydrophobicContact CG1-CD1 4.08Å
7N93.3Very high88.2Confident78 Ų7867.6 Ų67.642%0.41734%0.341SS..EExtended strand (participates in β ladder)trans-118.7131.5178-77.7-58.8000110.6I26 F27N7-I26 CarbonylContact O-C 3.59Å; N7-I26 WeakPolarHBondContact O-CA 3.46Å; N7-F27 HydrophobicContact CB-CB 4.3Å; N7-F27 PolarHBondContact N-O 2.92Å; N7-F27 PolarHBondContact O-N 3.14Å
8P92.7Very high87.1Confident60 Ų6070.7 Ų70.739%0.3935%0.348SS..SBendcis-67140-5.528.8-37.2000113V6 E10 G11V6-P8 CarbonylContact O-C 3.59Å; P8-E10 VanDerWaalsContact C-N 3.25Å; P8-E10 PolarHBondContact O-N 2.94Å; P8-G11 WeakPolarHBondContact CG-O 3.47Å; P8-G11 PolarHBondContact O-N 3.08Å; P8-G11 VanDerWaalsContact O-N 3.11Å
9E89.3Confident86Confident181 Ų18172.6 Ų72.685%0.84636%0.357SS*.THydrogen-bonded Turntrans-62.9-34.3177.8-175.2-179.4-179.700111.8V6 G11V6-E9 WeakPolarHBondContact O-CA 3.46Å; V6-E9 PolarHBondContact O-N 2.96Å; E9-G11 PolarHBondContact O-N 3.38Å; E9-G11 VanDerWaalsContact O-N 3.09Å
10E87.1Confident85Confident154 Ų15472.6 Ų72.672%0.7235%0.354SS*.THydrogen-bonded Turntrans-66.7-10177.5-60.6-176.9-179.600113.5P8 K116P8-E10 VanDerWaalsContact C-N 3.25Å; P8-E10 PolarHBondContact O-N 2.94Å; E10-K116 WeakPolarHBondContact O-CD 3.39Å
11G88.5Confident84.7Confident8 Ų872 Ų728%0.08235%0.35CS..  trans86-168.2-175.400000113.4P8 E9 K116P8-G11 WeakPolarHBondContact CG-O 3.47Å; P8-G11 PolarHBondContact O-N 3.08Å; P8-G11 VanDerWaalsContact O-N 3.11Å; E9-G11 PolarHBondContact O-N 3.38Å; E9-G11 VanDerWaalsContact O-N 3.09Å; G11-K116 CarbonylContact C-O 3.46Å; G11-K116 WeakPolarHBondContact CA-O 3.42Å
12V90.2Very high84.9Confident1 Ų165.2 Ų65.21%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-109.2144.7-173.1-630000111.9F14 S24 I26 I67 L115 K116 I117 T118V12-F14 HydrophobicContact CB-CE2 4.48Å; V12-F14 HydrophobicContact CG2-CD2 4.37Å; V12-F14 HydrophobicContact CG2-CE2 3.66Å; V12-F14 HydrophobicContact CG2-CZ 4.27Å; V12-S24 WeakPolarHBondContact CB-OG 3.46Å; V12-S24 VanDerWaalsContact CG1-OG 3.31Å; V12-S24 WeakPolarHBondContact CG1-OG 3.46Å; V12-I26 HydrophobicContact CG1-CG2 3.36Å; V12-I67 HydrophobicContact CG1-CD1 4.16Å; V12-I67 HydrophobicContact CG2-CD1 3.97Å; V12-L115 HydrophobicContact CG2-CD2 4.29Å; V12-K116 PolarHBondContact N-O 3.09Å; V12-I117 HydrophobicContact CG2-CD1 3.19Å; V12-I117 WeakPolarHBondContact O-CA 3.49Å; V12-T118 PolarHBondContact O-N 2.75Å
13Q88.3Confident85Confident123 Ų12368 Ų6858%0.57534%0.336SS*.EExtended strand (participates in β ladder)trans-106.5132.3177-45.2-162.5-10.300109.7T118Q13-T118 WeakPolarHBondContact CA-O 3.3Å; Q13-T118 VanDerWaalsContact CG-OG1 3.3Å; Q13-T118 WeakPolarHBondContact CG-OG1 3.38Å
14F88Confident84.9Confident5 Ų563.5 Ų63.52%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-117.4162.9166.5-66-73.9000109V12 Q22 F48 I67 F69 I117 T118 F119 V120V12-F14 HydrophobicContact CB-CE2 4.48Å; V12-F14 HydrophobicContact CG2-CD2 4.37Å; V12-F14 HydrophobicContact CG2-CE2 3.66Å; V12-F14 HydrophobicContact CG2-CZ 4.27Å; F14-Q22 HydrophobicContact CD1-CB 3.76Å; F14-Q22 HydrophobicContact CE1-CB 4.24Å; F14-F48 HydrophobicContact CD2-CE1 4.16Å; F14-F48 AromaticContact CE2-CE1 3.83Å; F14-F48 HydrophobicContact CE2-CE1 3.83Å; F14-I67 HydrophobicContact CE2-CG2 4.17Å; F14-I67 HydrophobicContact CZ-CB 4.13Å; F14-I67 HydrophobicContact CZ-CG2 3.81Å; F14-F69 HydrophobicContact CB-CD1 3.95Å; F14-F69 HydrophobicContact CB-CG 4.39Å; F14-F69 HydrophobicContact CD1-CB 3.58Å; F14-F69 HydrophobicContact CD1-CD1 4.25Å; F14-F69 HydrophobicContact CD1-CG 4.23Å; F14-F69 HydrophobicContact CD2-CB 4.14Å; F14-F69 HydrophobicContact CD2-CG 4.44Å; F14-F69 HydrophobicContact CE1-CB 3.6Å; F14-F69 HydrophobicContact CE2-CB 4.17Å; F14-F69 HydrophobicContact CG-CB 3.85Å; F14-F69 HydrophobicContact CG-CD1 4.11Å; F14-F69 HydrophobicContact CG-CG 4.1Å; F14-F69 HydrophobicContact CZ-CB 3.91Å; F14-I117 HydrophobicContact CD2-CG2 3.79Å; F14-I117 HydrophobicContact CE2-CD1 4.46Å; F14-I117 HydrophobicContact CE2-CG2 4.21Å; F14-T118 PolarHBondContact N-O 3.09Å; F14-F119 HydrophobicContact CB-CD1 3.93Å; F14-F119 HydrophobicContact CB-CE1 3.89Å; F14-F119 CarbonylContact O-C 3.52Å; F14-F119 VanDerWaalsContact O-CA 3.26Å; F14-F119 WeakPolarHBondContact O-CA 3.4Å; F14-V120 PolarHBondContact O-N 3.41Å
15T81Confident84.8Confident29 Ų2971.3 Ų71.318%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-96.9149.6170.469.40000110S17 Q22 V120 P123T15-S17 PolarHBondContact O-N 2.79Å; T15-S17 VanDerWaalsContact O-N 3.1Å; T15-S17 WeakPolarHBondContact OG1-CB 3.41Å; T15-Q22 PolarHBondContact O-NE2 3.3Å; T15-Q22 PolarHBondContact O-OE1 3.46Å; T15-Q22 PolarHBondContact OG1-NE2 3.11Å; T15-Q22 PolarHBondContact OG1-OE1 3.46Å; T15-V120 WeakPolarHBondContact CA-O 3.36Å; T15-V120 WeakPolarHBondContact CB-O 3.17Å; T15-P123 HydrophobicContact CG2-CB 4.19Å
16N73.1Confident84.8Confident32 Ų3266.6 Ų66.617%0.17133%0.327CS..  trans-74.311.7170.3-83.6-37000112.9Y18 M77 V120 D121N16-Y18 PolarHBondContact O-N 3.5Å; N16-M77 PolarHBondContact OD1-N 2.82Å; N16-V120 PolarHBondContact N-O 2.83Å; N16-V120 VanDerWaalsContact N-O 3.13Å; N16-D121 WeakPolarHBondContact CB-OD1 3.25Å; N16-D121 PolarHBondContact ND2-OD1 3.38Å
17S72.8Confident84.9Confident32 Ų3269 Ų6922%0.22434%0.336CS..  trans-71.4112.9179-170.90000110.6T15 Q19 Q22T15-S17 PolarHBondContact O-N 2.79Å; T15-S17 VanDerWaalsContact O-N 3.1Å; T15-S17 WeakPolarHBondContact OG1-CB 3.41Å; S17-Q19 PolarHBondContact O-N 2.95Å; S17-Q22 PolarHBondContact O-NE2 3.45Å
18Y69.4Low85.1Confident122 Ų12265.3 Ų65.348%0.47832%0.316SS..THydrogen-bonded Turntrans-73.1-8.3173.868.8-89.9000113.4N16 F20 K73N16-Y18 PolarHBondContact O-N 3.5Å; Y18-F20 VanDerWaalsContact C-N 3.27Å; Y18-F20 PolarHBondContact O-N 3.25Å; Y18-K73 HydrophobicContact CD2-CB 4.24Å; Y18-K73 HydrophobicContact CD2-CG 4.17Å; Y18-K73 HydrophobicContact CE2-CG 4.27Å; Y18-K73 HydrophobicContact CG-CB 4.46Å
19Q64.7Low85.3Confident108 Ų10865.3 Ų65.351%0.50531%0.308SS..THydrogen-bonded Turntrans-78.8-13-175.4-66.9-178.4-1300112.8S17S17-Q19 PolarHBondContact O-N 2.95Å
20F67.8Low85.7Confident71 Ų7156.7 Ų56.731%0.31127%0.268SS..SBendtrans-135.5137.4-173.8-54.4-81.8000111.3Y18 Q22 P200 C205Y18-F20 VanDerWaalsContact C-N 3.27Å; Y18-F20 PolarHBondContact O-N 3.25Å; F20-Q22 HydrophobicContact CB-CG 4.45Å; F20-P200 HydrophobicContact CE1-CB 4.44Å; F20-P200 HydrophobicContact CE1-CG 3.9Å; F20-P200 HydrophobicContact CZ-CG 3.9Å; F20-C205 WeakPolarHBondContact CE1-SG 3.3Å
21F77.8Confident86.1Confident60 Ų6050.4 Ų50.426%0.26324%0.242SC..  trans-69.1130.2158.7-178.8-105.4000108.3F68 Y212F21-F68 HydrophobicContact CD1-CD1 4.33Å; F21-F68 HydrophobicContact CE1-CB 4.2Å; F21-F68 AromaticContact CE1-CD1 3.15Å; F21-F68 HydrophobicContact CE1-CD1 3.15Å; F21-F68 AromaticContact CE1-CE1 3.7Å; F21-F68 HydrophobicContact CE1-CE1 3.7Å; F21-F68 AromaticContact CE1-CG 3.94Å; F21-F68 HydrophobicContact CE1-CG 3.94Å; F21-F68 HydrophobicContact CE2-CB 3.98Å; F21-F68 HydrophobicContact CE2-CD1 4.44Å; F21-F68 HydrophobicContact CZ-CB 3.39Å; F21-F68 AromaticContact CZ-CD1 3.22Å; F21-F68 HydrophobicContact CZ-CD1 3.22Å; F21-F68 HydrophobicContact CZ-CE1 4.1Å; F21-F68 AromaticContact CZ-CG 3.5Å; F21-F68 HydrophobicContact CZ-CG 3.5Å; F21-F68 VanDerWaalsContact CZ-CG 3.5Å; F21-Y212 HydrophobicContact CD1-CD2 4.14Å; F21-Y212 HydrophobicContact CD1-CG 4.46Å; F21-Y212 HydrophobicContact CD2-CD2 4.45Å; F21-Y212 HydrophobicContact CD2-CE1 4.27Å; F21-Y212 HydrophobicContact CD2-CE2 4.26Å; F21-Y212 AromaticContact CE1-CD2 3.52Å; F21-Y212 HydrophobicContact CE1-CD2 3.52Å; F21-Y212 AromaticContact CE1-CE2 3.65Å; F21-Y212 HydrophobicContact CE1-CE2 3.65Å; F21-Y212 HydrophobicContact CE1-CG 4.26Å; F21-Y212 HydrophobicContact CE2-CD1 4.43Å; F21-Y212 AromaticContact CE2-CD2 3.91Å; F21-Y212 HydrophobicContact CE2-CD2 3.91Å; F21-Y212 AromaticContact CE2-CE1 3.92Å; F21-Y212 HydrophobicContact CE2-CE1 3.92Å; F21-Y212 AromaticContact CE2-CE2 3.37Å; F21-Y212 HydrophobicContact CE2-CE2 3.37Å; F21-Y212 HydrophobicContact CE2-CG 4.39Å; F21-Y212 AromaticContact CE2-CZ 3.31Å; F21-Y212 AromaticContact CZ-CD2 3.38Å; F21-Y212 HydrophobicContact CZ-CD2 3.38Å; F21-Y212 HydrophobicContact CZ-CE1 4.35Å; F21-Y212 AromaticContact CZ-CE2 2.97Å; F21-Y212 HydrophobicContact CZ-CE2 2.97Å; F21-Y212 HydrophobicContact CZ-CG 4.21Å; F21-Y212 AromaticContact CZ-CZ 3.49Å; F21-Y212 VanDerWaalsContact CZ-CZ 3.49Å
22Q88.1Confident86.4Confident25 Ų2550.2 Ų50.212%0.11724%0.24CC..EExtended strand (participates in β ladder)trans-117.4145-172.8-64.6174.965.900110.5F14 T15 S17 F20 F68 F69F14-Q22 HydrophobicContact CD1-CB 3.76Å; F14-Q22 HydrophobicContact CE1-CB 4.24Å; T15-Q22 PolarHBondContact O-NE2 3.3Å; T15-Q22 PolarHBondContact O-OE1 3.46Å; T15-Q22 PolarHBondContact OG1-NE2 3.11Å; T15-Q22 PolarHBondContact OG1-OE1 3.46Å; S17-Q22 PolarHBondContact O-NE2 3.45Å; F20-Q22 HydrophobicContact CB-CG 4.45Å; Q22-F68 CarbonylContact O-C 3.48Å; Q22-F68 WeakPolarHBondContact O-CA 3.44Å; Q22-F69 HydrophobicContact CB-CB 4.46Å; Q22-F69 HydrophobicContact CB-CD1 4.48Å; Q22-F69 PolarHBondContact N-O 3.41Å; Q22-F69 PolarHBondContact O-N 2.74Å
23S91.6Very high86.5Confident75 Ų7557.5 Ų57.552%0.52428%0.279SS..EExtended strand (participates in β ladder)trans-133.6138.8174.966.60000110I67S23-I67 CarbonylContact C-O 3.55Å; S23-I67 VanDerWaalsContact CA-O 3.25Å; S23-I67 WeakPolarHBondContact CA-O 3.08Å
24S92.4Very high86.6Confident28 Ų2853 Ų5320%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-125.4159.3168.3-170.40000109.6V12 T66 I67V12-S24 WeakPolarHBondContact CB-OG 3.46Å; V12-S24 VanDerWaalsContact CG1-OG 3.31Å; V12-S24 WeakPolarHBondContact CG1-OG 3.46Å; S24-T66 CarbonylContact O-C 3.58Å; S24-T66 WeakPolarHBondContact O-CA 3.43Å; S24-I67 PolarHBondContact N-O 3.14Å; S24-I67 PolarHBondContact O-N 3.28Å
25R94.2Very high86.8Confident178 Ų17856.5 Ų56.567%0.67228%0.276SS*.EExtended strand (participates in β ladder)trans-121133.4-179.8-68.4-179.3178.2173.82.3109.6T64 V65 T66R25-T64 HydrophobicContact CB-CG2 4.16Å; R25-T64 HydrophobicContact CG-CG2 4.31Å; R25-V65 WeakPolarHBondContact CA-O 3.28Å; R25-T66 HydrophobicContact CG-CG2 4.33Å
26I95.9Very high87.3Confident2 Ų255.1 Ų55.11%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-112.1152.8165.764.6172.5000109.5V6 N7 V12 L28 M40 T64 V65 I67 I86 L115V6-I26 HydrophobicContact CG1-CB 4.49Å; V6-I26 HydrophobicContact CG1-CD1 4.36Å; N7-I26 CarbonylContact O-C 3.59Å; N7-I26 WeakPolarHBondContact O-CA 3.46Å; V12-I26 HydrophobicContact CG1-CG2 3.36Å; I26-L28 HydrophobicContact CD1-CD2 3.86Å; I26-L28 HydrophobicContact CD1-CG 4.45Å; I26-L28 HydrophobicContact CG1-CD2 4.44Å; I26-M40 HydrophobicContact CD1-CE 3.95Å; I26-M40 HydrophobicContact CD1-SD 4.39Å; I26-T64 CarbonylContact O-C 3.36Å; I26-T64 WeakPolarHBondContact O-CA 3.49Å; I26-V65 HydrophobicContact CD1-CB 4.23Å; I26-V65 HydrophobicContact CG1-CB 3.77Å; I26-V65 HydrophobicContact CG1-CG1 4.48Å; I26-V65 PolarHBondContact N-O 3.3Å; I26-V65 PolarHBondContact O-N 2.87Å; I26-I67 HydrophobicContact CD1-CD1 4.18Å; I26-I67 HydrophobicContact CG1-CD1 4.27Å; I26-I67 HydrophobicContact CG2-CD1 3.84Å; I26-I86 HydrophobicContact CD1-CD1 4.22Å; I26-L115 HydrophobicContact CD1-CD2 4.16Å; I26-L115 HydrophobicContact CG2-CD1 4.13Å; I26-L115 HydrophobicContact CG2-CD2 4.28Å
27F96.4Very high88.2Confident78 Ų7853.6 Ų53.634%0.34226%0.259SS..EExtended strand (participates in β ladder)trans-114.9120.5172.2-176.5-105.7000109.1N7 Y29 G62N7-F27 HydrophobicContact CB-CB 4.3Å; N7-F27 PolarHBondContact N-O 2.92Å; N7-F27 PolarHBondContact O-N 3.14Å; F27-Y29 HydrophobicContact CE1-CD2 4.16Å; F27-Y29 HydrophobicContact CE1-CG 4.44Å; F27-G62 VanDerWaalsContact CZ-CA 3.5Å
28L97.3Very high89.2Confident0 Ų052.1 Ų52.10%025%0.249CC..EExtended strand (participates in β ladder)trans-96117.6176.1-57.8-176.9000108.2L4 E5 V6 I26 F38 I57 G62 K63 V65 I86L4-L28 HydrophobicContact CD1-CB 4.19Å; E5-L28 CarbonylContact O-C 3.56Å; E5-L28 WeakPolarHBondContact O-CA 3.47Å; V6-L28 HydrophobicContact CB-CD2 4.46Å; V6-L28 HydrophobicContact CG1-CD2 4.16Å; V6-L28 HydrophobicContact CG2-CD2 3.92Å; I26-L28 HydrophobicContact CD1-CD2 3.86Å; I26-L28 HydrophobicContact CD1-CG 4.45Å; I26-L28 HydrophobicContact CG1-CD2 4.44Å; L28-F38 HydrophobicContact CD1-CD1 4.5Å; L28-F38 HydrophobicContact CD1-CD2 3.57Å; L28-F38 HydrophobicContact CD1-CE2 3.72Å; L28-F38 HydrophobicContact CD1-CG 3.99Å; L28-F38 HydrophobicContact CD1-CZ 4.22Å; L28-I57 HydrophobicContact CB-CD1 3.62Å; L28-I57 HydrophobicContact CD1-CD1 4.2Å; L28-G62 CarbonylContact O-C 3.44Å; L28-G62 WeakPolarHBondContact O-CA 3.38Å; L28-K63 PolarHBondContact N-O 2.84Å; L28-K63 PolarHBondContact O-N 3.31Å; L28-V65 HydrophobicContact CD1-CG2 3.75Å; L28-V65 HydrophobicContact CG-CG2 4.22Å; L28-I86 HydrophobicContact CD1-CG2 4.34Å; L28-I86 HydrophobicContact CD2-CD1 3.98Å; L28-I86 HydrophobicContact CD2-CG1 4.14Å
29Y97.5Very high90.3Very high59 Ų5948 Ų4823%0.23123%0.233CC..EExtended strand (participates in β ladder)trans-110.8127.9177.5-179.5-107.1000110.9L4 E5 F27 A31 Q60 R61L4-Y29 WeakPolarHBondContact CA-O 3.45Å; E5-Y29 PolarHBondContact N-O 3.38Å; E5-Y29 PolarHBondContact O-N 3.18Å; E5-Y29 WeakPolarHBondContact OE2-CD1 3.48Å; F27-Y29 HydrophobicContact CE1-CD2 4.16Å; F27-Y29 HydrophobicContact CE1-CG 4.44Å; Y29-A31 HydrophobicContact CD1-CB 4.04Å; Y29-A31 HydrophobicContact CE1-CB 3.86Å; Y29-A31 PolarHBondContact O-N 3.27Å; Y29-Q60 PolarHBondContact OH-OE1 3.04Å; Y29-R61 WeakPolarHBondContact CD2-O 3.43Å
30N97.4Very high91.7Very high0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-91.895.7176.6178.612.5000110.2S32 A34 L36 I57 D58 Q60 R61N30-S32 PolarHBondContact O-N 2.98Å; N30-S32 WeakPolarHBondContact OD1-CA 3.28Å; N30-S32 VanDerWaalsContact OD1-CB 3.26Å; N30-S32 WeakPolarHBondContact OD1-CB 3.2Å; N30-S32 PolarHBondContact OD1-N 3.47Å; N30-S32 PolarHBondContact OD1-OG 2.98Å; N30-A34 PolarHBondContact ND2-O 3.03Å; N30-L36 HydrophobicContact CB-CD1 4.01Å; N30-L36 HydrophobicContact CB-CG 4.45Å; N30-L36 VanDerWaalsContact OD1-CD1 3.3Å; N30-L36 WeakPolarHBondContact OD1-CD1 3.45Å; N30-I57 HydrophobicContact CB-CB 4.01Å; N30-I57 HydrophobicContact CB-CG2 3.46Å; N30-I57 VanDerWaalsContact CB-CG2 3.46Å; N30-I57 PolarHBondContact ND2-O 3.19Å; N30-D58 PolarHBondContact ND2-O 3.49Å; N30-D58 VanDerWaalsContact ND2-O 3.17Å; N30-Q60 WeakPolarHBondContact O-CA 3.17Å; N30-Q60 PolarHBondContact O-N 2.78Å; N30-R61 PolarHBondContact N-O 3.01Å
31A96.3Very high92.9Very high22 Ų2240.6 Ų40.618%0.18220%0.201CC..  trans-80.80.3175.100000113.1K3 Y29 Q60K3-A31 HydrophobicContact CB-CB 4Å; K3-A31 PolarHBondContact O-N 3.39Å; Y29-A31 HydrophobicContact CD1-CB 4.04Å; Y29-A31 HydrophobicContact CE1-CB 3.86Å; Y29-A31 PolarHBondContact O-N 3.27Å; A31-Q60 PolarHBondContact O-NE2 3.1Å
32S93.7Very high93.6Very high5 Ų538.8 Ų38.84%0.03520%0.195CC..SBendtrans-81.7169.1176.384.10000111.8N30 A34 Q60N30-S32 PolarHBondContact O-N 2.98Å; N30-S32 WeakPolarHBondContact OD1-CA 3.28Å; N30-S32 VanDerWaalsContact OD1-CB 3.26Å; N30-S32 WeakPolarHBondContact OD1-CB 3.2Å; N30-S32 PolarHBondContact OD1-N 3.47Å; N30-S32 PolarHBondContact OD1-OG 2.98Å; S32-A34 VanDerWaalsContact C-N 3.33Å; S32-A34 PolarHBondContact OG-N 3.38Å; S32-A34 PolarHBondContact OG-O 3.44Å; S32-Q60 PolarHBondContact O-NE2 3.23Å
33N92.7Very high93.6Very high154 Ų15442.4 Ų42.482%0.82422%0.22SC*.SBendtrans-91.11.5174-65.2-26.6000112.5P59N33-P59 WeakPolarHBondContact O-CG 3.02Å
34A91.3Very high93.4Very high28 Ų2841.7 Ų41.723%0.23121%0.205CC..SBendtrans-114.9152.8-177.900000110.6N30 S32 L36 E90N30-A34 PolarHBondContact ND2-O 3.03Å; S32-A34 VanDerWaalsContact C-N 3.33Å; S32-A34 PolarHBondContact OG-N 3.38Å; S32-A34 PolarHBondContact OG-O 3.44Å; A34-L36 PolarHBondContact O-N 3.32Å; A34-E90 HydrophobicContact CB-CB 4.27Å; A34-E90 HydrophobicContact CB-CG 3.94Å
35R91.7Very high93.2Very high79 Ų7946.4 Ų46.430%0.29823%0.228SC..PPolyproline II helixtrans-68.4132.2172.2-171.2177.4-153.6-161.82.4108.5D58 L91R35-D58 WeakPolarHBondContact CD-OD1 3.26Å; R35-D58 IonicContact CZ-OD1 3.88Å; R35-D58 IonicContact NE-OD1 2.82Å; R35-D58 PolarHBondContact NE-OD1 3.12Å; R35-D58 IonicContact NH2-OD1 2.86Å; R35-L91 HydrophobicContact CB-CB 4.35Å; R35-L91 HydrophobicContact CB-CD1 4.44Å; R35-L91 HydrophobicContact CG-CD1 3.99Å; R35-L91 WeakPolarHBondContact O-CB 3.4Å; R35-L91 PolarHBondContact O-N 2.86Å
36L92.1Very high92.8Very high0 Ų041.8 Ų41.80%022%0.217CC..EExtended strand (participates in β ladder)trans-99.7143.4174.6-61.2-179.5000110.2V2 L4 N30 A34 F56 I57 K89 E90V2-L36 HydrophobicContact CB-CD2 4.38Å; V2-L36 HydrophobicContact CG1-CD1 3.87Å; V2-L36 HydrophobicContact CG1-CD2 3.95Å; V2-L36 HydrophobicContact CG2-CD2 4.07Å; L4-L36 HydrophobicContact CB-CD1 4.32Å; L4-L36 HydrophobicContact CD1-CD1 3.97Å; N30-L36 HydrophobicContact CB-CD1 4.01Å; N30-L36 HydrophobicContact CB-CG 4.45Å; N30-L36 VanDerWaalsContact OD1-CD1 3.3Å; N30-L36 WeakPolarHBondContact OD1-CD1 3.45Å; A34-L36 PolarHBondContact O-N 3.32Å; L36-F56 CarbonylContact O-C 3.44Å; L36-F56 VanDerWaalsContact O-CA 3.25Å; L36-F56 WeakPolarHBondContact O-CA 2.88Å; L36-I57 PolarHBondContact N-O 3.26Å; L36-I57 PolarHBondContact O-N 3.48Å; L36-K89 WeakPolarHBondContact CA-O 3.37Å; L36-E90 HydrophobicContact CD2-CB 4.34Å; L36-E90 HydrophobicContact CD2-CG 3.61Å
37V91.8Very high92.4Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-100.9138.2157.649.70000107.4G55 F56 A88 K89 L91 F100 W101 L104V37-G55 WeakPolarHBondContact CA-O 3.3Å; V37-F56 HydrophobicContact CB-CD1 3.9Å; V37-F56 HydrophobicContact CB-CE1 3.9Å; V37-F56 HydrophobicContact CG2-CD1 4.18Å; V37-F56 HydrophobicContact CG2-CE1 3.86Å; V37-A88 CarbonylContact O-C 3.56Å; V37-A88 VanDerWaalsContact O-CA 3.25Å; V37-A88 WeakPolarHBondContact O-CA 3.39Å; V37-K89 HydrophobicContact CG1-CB 4.09Å; V37-K89 VanDerWaalsContact CG1-O 3.3Å; V37-K89 WeakPolarHBondContact CG1-O 3.09Å; V37-K89 PolarHBondContact N-O 3.05Å; V37-K89 PolarHBondContact O-N 3.06Å; V37-L91 HydrophobicContact CB-CD1 3.81Å; V37-L91 HydrophobicContact CB-CG 4.25Å; V37-L91 HydrophobicContact CG1-CD1 4.13Å; V37-L91 HydrophobicContact CG1-CG 4.04Å; V37-F100 HydrophobicContact CG1-CB 4.45Å; V37-F100 HydrophobicContact CG1-CD1 4.36Å; V37-W101 HydrophobicContact CG2-CD2 4.33Å; V37-W101 HydrophobicContact CG2-CH2 4.04Å; V37-W101 HydrophobicContact CG2-CZ2 3.71Å; V37-W101 HydrophobicContact CG2-CZ3 4.49Å; V37-L104 HydrophobicContact CB-CD1 3.98Å; V37-L104 HydrophobicContact CG1-CD1 3.23Å; V37-L104 HydrophobicContact CG2-CD1 3.55Å
38F92.8Very high92.1Very high0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-133.8144.817976.5-83.4000111.1L28 M40 P52 G54 G55 I57 K63 V65 I86 L87 A88 W101L28-F38 HydrophobicContact CD1-CD1 4.5Å; L28-F38 HydrophobicContact CD1-CD2 3.57Å; L28-F38 HydrophobicContact CD1-CE2 3.72Å; L28-F38 HydrophobicContact CD1-CG 3.99Å; L28-F38 HydrophobicContact CD1-CZ 4.22Å; F38-M40 HydrophobicContact CE2-CG 4.49Å; F38-P52 HydrophobicContact CZ-CG 3.92Å; F38-G54 VanDerWaalsContact O-CA 3.24Å; F38-G54 WeakPolarHBondContact O-CA 3.21Å; F38-G55 WeakPolarHBondContact CD1-O 3.16Å; F38-G55 VanDerWaalsContact CE1-C 3.42Å; F38-G55 VanDerWaalsContact CE1-CA 3.5Å; F38-G55 PolarHBondContact N-O 3.23Å; F38-G55 PolarHBondContact O-N 3.3Å; F38-I57 HydrophobicContact CD1-CD1 3.71Å; F38-I57 HydrophobicContact CD1-CG1 3.59Å; F38-I57 HydrophobicContact CE1-CD1 4.04Å; F38-I57 HydrophobicContact CE1-CG1 3.76Å; F38-I57 HydrophobicContact CG-CD1 4.31Å; F38-K63 HydrophobicContact CE1-CB 4.47Å; F38-K63 HydrophobicContact CE1-CG 4.2Å; F38-K63 HydrophobicContact CZ-CG 4.09Å; F38-V65 HydrophobicContact CE2-CG2 3.84Å; F38-V65 HydrophobicContact CZ-CG2 4.19Å; F38-I86 HydrophobicContact CB-CG2 3.98Å; F38-I86 HydrophobicContact CD2-CG2 4.32Å; F38-L87 CarbonylContact C-O 3.59Å; F38-L87 WeakPolarHBondContact CA-O 3.41Å; F38-A88 HydrophobicContact CB-CB 4.31Å; F38-W101 WeakPolarHBondContact O-CH2 3.5Å
39K93.1Very high91.9Very high37 Ų3742 Ų4216%0.16122%0.222CC..EExtended strand (participates in β ladder)trans-126.5134.1172.5-173.9-177.9174.6-173.10109.4I86 L87 W101 I105K39-I86 CarbonylContact O-C 3.53Å; K39-I86 WeakPolarHBondContact O-CA 3.43Å; K39-L87 PolarHBondContact N-O 2.78Å; K39-L87 PolarHBondContact O-N 2.86Å; K39-W101 HydrophobicContact CB-CH2 4.44Å; K39-W101 HydrophobicContact CB-CZ3 3.91Å; K39-W101 HydrophobicContact CG-CZ3 4.17Å; K39-I105 HydrophobicContact CD-CG1 4.07Å
40M94.1Very high91.7Very high3 Ų340.2 Ų40.22%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-80.6130.7168.4-60.3-59.2-59.500108.9I26 F38 F50 E53 V65 I86I26-M40 HydrophobicContact CD1-CE 3.95Å; I26-M40 HydrophobicContact CD1-SD 4.39Å; F38-M40 HydrophobicContact CE2-CG 4.49Å; M40-F50 HydrophobicContact CB-CB 3.88Å; M40-F50 HydrophobicContact CB-CD1 3.9Å; M40-F50 HydrophobicContact CB-CD2 3.41Å; M40-F50 VanDerWaalsContact CB-CD2 3.41Å; M40-F50 HydrophobicContact CB-CE1 4.25Å; M40-F50 HydrophobicContact CB-CE2 3.81Å; M40-F50 HydrophobicContact CB-CG 3.44Å; M40-F50 VanDerWaalsContact CB-CG 3.44Å; M40-F50 HydrophobicContact CB-CZ 4.2Å; M40-F50 HydrophobicContact CE-CD1 3.79Å; M40-F50 HydrophobicContact CE-CE1 3.74Å; M40-F50 HydrophobicContact CE-CG 4.49Å; M40-F50 HydrophobicContact CE-CZ 4.4Å; M40-F50 HydrophobicContact CG-CB 3.95Å; M40-F50 HydrophobicContact CG-CD1 4.1Å; M40-F50 HydrophobicContact CG-CD2 4.35Å; M40-F50 HydrophobicContact CG-CG 3.88Å; M40-E53 WeakPolarHBondContact CB-O 3.4Å; M40-E53 WeakPolarHBondContact CG-O 3.43Å; M40-E53 PolarHBondContact N-O 3.21Å; M40-V65 HydrophobicContact CE-CG1 4.3Å; M40-V65 HydrophobicContact CG-CG1 3.97Å; M40-V65 HydrophobicContact SD-CG1 4.05Å; M40-V65 HydrophobicContact SD-CG2 4.33Å; M40-I86 HydrophobicContact CE-CG1 3.85Å; M40-I86 HydrophobicContact SD-CB 4.4Å; M40-I86 HydrophobicContact SD-CG1 3.49Å; M40-I86 WeakPolarHBondContact SD-CG1 3.25Å; M40-I86 HydrophobicContact SD-CG2 4.43Å
41C91.9Very high91.6Very high19 Ų1943.2 Ų43.213%0.12823%0.231CC..EExtended strand (participates in β ladder)trans-122.8141.6178.9-58.10000109.3C84 S85C41-C84 CarbonylContact O-C 3.58Å; C41-C84 VanDerWaalsContact O-CA 3.28Å; C41-C84 WeakPolarHBondContact O-CA 3.26Å; C41-S85 PolarHBondContact N-O 2.77Å; C41-S85 PolarHBondContact O-N 3.28Å
42T92.1Very high91.5Very high22 Ų2243.2 Ų43.214%0.13523%0.229CC..EExtended strand (participates in β ladder)trans-135.2156.2171.9-176.80000112.2R44 D45 F48 F50 Y83T42-R44 PolarHBondContact OG1-N 3.46Å; T42-R44 VanDerWaalsContact OG1-N 3.08Å; T42-D45 HydrophobicContact CG2-CB 4.37Å; T42-D45 WeakPolarHBondContact CG2-OD1 3.48Å; T42-F48 HydrophobicContact CG2-CB 4.2Å; T42-F50 HydrophobicContact CG2-CE2 3.81Å; T42-F50 HydrophobicContact CG2-CZ 4.21Å; T42-Y83 CarbonylContact C-O 3.52Å; T42-Y83 WeakPolarHBondContact CA-O 3.38Å; T42-Y83 WeakPolarHBondContact CB-O 3.31Å; T42-Y83 PolarHBondContact OG1-O 3.02Å
43T88.6Confident91.4Very high102 Ų10248.7 Ų48.763%0.62625%0.254SS*.SBendtrans-91.5-3169.355.60000112.6Y83T43-Y83 PolarHBondContact N-O 3.47Å
44R87.5Confident91.4Very high60 Ų6041.6 Ų41.623%0.22622%0.218CC..  trans-135.265.4-177.6-63-73.8-83.2141.7-5.6110T42 D46 R47 F48 E75 M77 Y83T42-R44 PolarHBondContact OG1-N 3.46Å; T42-R44 VanDerWaalsContact OG1-N 3.08Å; R44-D46 WeakPolarHBondContact CA-OD1 3.5Å; R44-D46 IonicContact CZ-OD1 3.45Å; R44-D46 IonicContact CZ-OD2 2.76Å; R44-D46 IonicContact NE-OD1 3.51Å; R44-D46 IonicContact NH1-OD1 2.71Å; R44-D46 PolarHBondContact NH1-OD1 3.48Å; R44-D46 IonicContact NH1-OD2 3.89Å; R44-D46 PolarHBondContact NH1-OD2 3.16Å; R44-D46 IonicContact NH2-OD2 2.94Å; R44-D46 PolarHBondContact O-N 3.16Å; R44-R47 HydrophobicContact CB-CB 4.02Å; R44-R47 HydrophobicContact CB-CG 4.02Å; R44-R47 WeakPolarHBondContact O-CA 3.31Å; R44-R47 PolarHBondContact O-N 3.36Å; R44-F48 HydrophobicContact CB-CD2 4Å; R44-F48 HydrophobicContact CB-CE2 4.29Å; R44-F48 PolarHBondContact O-N 3.29Å; R44-E75 IonicContact CZ-OE1 3.84Å; R44-E75 IonicContact NH2-OE1 3.5Å; R44-E75 PolarHBondContact NH2-OE1 3.33Å; R44-E75 IonicContact NH2-OE2 2.69Å; R44-M77 HydrophobicContact CG-CE 4.49Å; R44-Y83 HydrophobicContact CB-CD1 4.33Å; R44-Y83 HydrophobicContact CG-CD1 3.42Å; R44-Y83 VanDerWaalsContact CG-CD1 3.42Å; R44-Y83 HydrophobicContact CG-CE1 3.78Å; R44-Y83 HydrophobicContact CG-CG 4.42Å
45D88.5Confident91.4Very high126 Ų12640.6 Ų40.667%0.67421%0.21SC*.THydrogen-bonded Turntrans-58.8-25.1176.5-67.4-44.6000112.2T42 R47T42-D45 HydrophobicContact CG2-CB 4.37Å; T42-D45 WeakPolarHBondContact CG2-OD1 3.48Å; D45-R47 PolarHBondContact O-N 3.24Å
46D86Confident91.4Very high81 Ų8139.1 Ų39.143%0.43321%0.206SC..THydrogen-bonded Turntrans-68.4-14.1173.168-53.4000113.5R44R44-D46 WeakPolarHBondContact CA-OD1 3.5Å; R44-D46 IonicContact CZ-OD1 3.45Å; R44-D46 IonicContact CZ-OD2 2.76Å; R44-D46 IonicContact NE-OD1 3.51Å; R44-D46 IonicContact NH1-OD1 2.71Å; R44-D46 PolarHBondContact NH1-OD1 3.48Å; R44-D46 IonicContact NH1-OD2 3.89Å; R44-D46 PolarHBondContact NH1-OD2 3.16Å; R44-D46 IonicContact NH2-OD2 2.94Å; R44-D46 PolarHBondContact O-N 3.16Å
47R86.6Confident91.5Very high22 Ų2239.3 Ų39.38%0.08321%0.207CC..THydrogen-bonded Turntrans-119.2-35.8-175.7-55.8-58.6161124.2-5.8114.3R44 D45 F69 K70 E75R44-R47 HydrophobicContact CB-CB 4.02Å; R44-R47 HydrophobicContact CB-CG 4.02Å; R44-R47 WeakPolarHBondContact O-CA 3.31Å; R44-R47 PolarHBondContact O-N 3.36Å; D45-R47 PolarHBondContact O-N 3.24Å; R47-F69 HydrophobicContact CB-CD2 4.36Å; R47-F69 HydrophobicContact CB-CE2 4.23Å; R47-F69 WeakPolarHBondContact O-CA 3.47Å; R47-K70 VanDerWaalsContact CD-O 3.26Å; R47-K70 WeakPolarHBondContact CD-O 2.93Å; R47-K70 PolarHBondContact O-N 3.1Å; R47-E75 IonicContact CZ-OE1 3.79Å; R47-E75 IonicContact CZ-OE2 3.04Å; R47-E75 VanDerWaalsContact NH1-CD 3.27Å; R47-E75 IonicContact NH1-OE1 3.54Å; R47-E75 IonicContact NH1-OE2 2.76Å; R47-E75 PolarHBondContact NH1-OE2 3.02Å; R47-E75 IonicContact NH2-OE1 3.76Å; R47-E75 IonicContact NH2-OE2 2.61Å; R47-E75 PolarHBondContact NH2-OE2 3.24Å
48F90.9Very high91.6Very high3 Ų342.8 Ų42.81%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-111.7134.1-174.6-65.9-79.8000111.1F14 T42 R44 F50 I67 F68 F69 M77 Y83 I117 F119F14-F48 HydrophobicContact CD2-CE1 4.16Å; F14-F48 AromaticContact CE2-CE1 3.83Å; F14-F48 HydrophobicContact CE2-CE1 3.83Å; T42-F48 HydrophobicContact CG2-CB 4.2Å; R44-F48 HydrophobicContact CB-CD2 4Å; R44-F48 HydrophobicContact CB-CE2 4.29Å; R44-F48 PolarHBondContact O-N 3.29Å; F48-F50 HydrophobicContact CB-CZ 4.21Å; F48-I67 HydrophobicContact CD1-CG2 3.95Å; F48-F68 VanDerWaalsContact CA-O 3.31Å; F48-F68 WeakPolarHBondContact CA-O 3.45Å; F48-F69 HydrophobicContact CD1-CB 4.33Å; F48-F69 HydrophobicContact CD1-CD2 4.19Å; F48-F69 HydrophobicContact CE1-CB 4.08Å; F48-F69 AromaticContact CE1-CD2 3.65Å; F48-F69 HydrophobicContact CE1-CD2 3.65Å; F48-F69 HydrophobicContact CE1-CG 4.2Å; F48-F69 HydrophobicContact CE2-CD2 4.38Å; F48-F69 AromaticContact CZ-CD2 3.78Å; F48-F69 HydrophobicContact CZ-CD2 3.78Å; F48-F69 HydrophobicContact CZ-CE2 4.25Å; F48-M77 HydrophobicContact CE2-CE 4.21Å; F48-Y83 VanDerWaalsContact CE2-CB 3.49Å; F48-Y83 HydrophobicContact CE2-CD2 4.29Å; F48-Y83 AromaticContact CE2-CG 3.86Å; F48-Y83 HydrophobicContact CE2-CG 3.86Å; F48-Y83 HydrophobicContact CZ-CD2 4.44Å; F48-Y83 HydrophobicContact CZ-CG 4.41Å; F48-I117 HydrophobicContact CE1-CG2 4.32Å; F48-I117 HydrophobicContact CZ-CG2 4.06Å; F48-F119 AromaticContact CZ-CZ 3.89Å; F48-F119 HydrophobicContact CZ-CZ 3.89Å
49T92.5Very high91.6Very high59 Ų5945.2 Ų45.236%0.36224%0.241SC..EExtended strand (participates in β ladder)trans-129.2148.5167.2580000109.6F68T49-F68 PolarHBondContact N-O 3.35Å; T49-F68 PolarHBondContact O-N 3.34Å; T49-F68 VanDerWaalsContact OG1-CB 3.28Å; T49-F68 WeakPolarHBondContact OG1-CB 3.42Å
50F94.5Very high91.7Very high23 Ų2348.1 Ų48.110%0.10126%0.255CS..EExtended strand (participates in β ladder)trans-120.3143.9-172-56.2-68.9000111.1M40 T42 F48 E53 V65 T66 I67 C84M40-F50 HydrophobicContact CB-CB 3.88Å; M40-F50 HydrophobicContact CB-CD1 3.9Å; M40-F50 HydrophobicContact CB-CD2 3.41Å; M40-F50 VanDerWaalsContact CB-CD2 3.41Å; M40-F50 HydrophobicContact CB-CE1 4.25Å; M40-F50 HydrophobicContact CB-CE2 3.81Å; M40-F50 HydrophobicContact CB-CG 3.44Å; M40-F50 VanDerWaalsContact CB-CG 3.44Å; M40-F50 HydrophobicContact CB-CZ 4.2Å; M40-F50 HydrophobicContact CE-CD1 3.79Å; M40-F50 HydrophobicContact CE-CE1 3.74Å; M40-F50 HydrophobicContact CE-CG 4.49Å; M40-F50 HydrophobicContact CE-CZ 4.4Å; M40-F50 HydrophobicContact CG-CB 3.95Å; M40-F50 HydrophobicContact CG-CD1 4.1Å; M40-F50 HydrophobicContact CG-CD2 4.35Å; M40-F50 HydrophobicContact CG-CG 3.88Å; T42-F50 HydrophobicContact CG2-CE2 3.81Å; T42-F50 HydrophobicContact CG2-CZ 4.21Å; F48-F50 HydrophobicContact CB-CZ 4.21Å; F50-E53 HydrophobicContact CB-CB 4.38Å; F50-E53 PolarHBondContact O-N 3.03Å; F50-V65 HydrophobicContact CB-CG1 4.43Å; F50-T66 CarbonylContact C-O 3.57Å; F50-T66 WeakPolarHBondContact CA-O 3.29Å; F50-I67 HydrophobicContact CD1-CB 4.38Å; F50-I67 HydrophobicContact CD1-CG1 3.99Å; F50-I67 HydrophobicContact CD1-CG2 4.09Å; F50-I67 HydrophobicContact CE1-CG1 4.16Å; F50-I67 HydrophobicContact CE1-CG2 3.84Å; F50-C84 HydrophobicContact CE1-CB 4.36Å; F50-C84 HydrophobicContact CZ-CB 4.19Å
51L94.3Very high91.8Very high63 Ų6356 Ų5633%0.3329%0.285SS..EExtended strand (participates in β ladder)trans-140.7110.5174.4-175.268.2000112V65 T66 F68L51-V65 CarbonylContact O-C 3.52Å; L51-V65 WeakPolarHBondContact O-CA 3.42Å; L51-T66 PolarHBondContact N-O 3.26Å; L51-T66 PolarHBondContact O-N 3.16Å; L51-F68 HydrophobicContact CB-CE2 3.84Å; L51-F68 HydrophobicContact CD2-CE2 4.31Å
52P94.9Very high92Very high21 Ų2156.6 Ų56.614%0.13629%0.294CS..SBendcis-68.8152.2-10.533.4-38.1000111.6F38 G54 K63 T64 V65F38-P52 HydrophobicContact CZ-CG 3.92Å; P52-G54 WeakPolarHBondContact CB-O 3.49Å; P52-K63 HydrophobicContact CG-CG 4.41Å; P52-T64 WeakPolarHBondContact CD-O 3.35Å; P52-V65 HydrophobicContact CG-CG2 4.42Å
53E91.9Very high92.2Very high120 Ų12059.8 Ų59.856%0.56131%0.306SS*.SBendtrans-68.1-28.4169.1-172.7-174.915900111.6M40 F50M40-E53 WeakPolarHBondContact CB-O 3.4Å; M40-E53 WeakPolarHBondContact CG-O 3.43Å; M40-E53 PolarHBondContact N-O 3.21Å; F50-E53 HydrophobicContact CB-CB 4.38Å; F50-E53 PolarHBondContact O-N 3.03Å
54G91.9Very high92.6Very high6 Ų658.3 Ų58.36%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-159.5160.4-17700000112.1F38 P52F38-G54 VanDerWaalsContact O-CA 3.24Å; F38-G54 WeakPolarHBondContact O-CA 3.21Å; P52-G54 WeakPolarHBondContact CB-O 3.49Å
55G91.4Very high93Very high6 Ų655.4 Ų55.46%0.06229%0.286CS..EExtended strand (participates in β ladder)trans177.6-161.6174.100000113.8V37 F38 W101V37-G55 WeakPolarHBondContact CA-O 3.3Å; F38-G55 WeakPolarHBondContact CD1-O 3.16Å; F38-G55 VanDerWaalsContact CE1-C 3.42Å; F38-G55 VanDerWaalsContact CE1-CA 3.5Å; F38-G55 PolarHBondContact N-O 3.23Å; F38-G55 PolarHBondContact O-N 3.3Å; G55-W101 VanDerWaalsContact N-CZ2 3.31Å
56F91.2Very high93.3Very high49 Ų4950.3 Ų50.322%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-116.4145.5177.5-53.7-69.8000110.5L36 V37 L91 A97 W101L36-F56 CarbonylContact O-C 3.44Å; L36-F56 VanDerWaalsContact O-CA 3.25Å; L36-F56 WeakPolarHBondContact O-CA 2.88Å; V37-F56 HydrophobicContact CB-CD1 3.9Å; V37-F56 HydrophobicContact CB-CE1 3.9Å; V37-F56 HydrophobicContact CG2-CD1 4.18Å; V37-F56 HydrophobicContact CG2-CE1 3.86Å; F56-L91 HydrophobicContact CD1-CD1 3.37Å; F56-L91 HydrophobicContact CE1-CD1 3.66Å; F56-L91 HydrophobicContact CE1-CD2 4.49Å; F56-L91 HydrophobicContact CG-CD1 4.49Å; F56-A97 HydrophobicContact CE1-CB 3.98Å; F56-A97 HydrophobicContact CE2-CB 4.22Å; F56-A97 HydrophobicContact CZ-CB 3.55Å; F56-W101 AromaticContact CE1-NE1 3.83Å; F56-W101 AromaticContact CE2-NE1 3.88Å; F56-W101 AromaticContact CZ-CD1 3.9Å; F56-W101 AromaticContact CZ-NE1 3.22Å
57I94Very high93.7Very high3 Ų346.5 Ų46.52%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-128.2113.2174.3-45.2178.8000107.8L4 L28 N30 L36 F38 R61 K63L4-I57 HydrophobicContact CD1-CD1 3.92Å; L28-I57 HydrophobicContact CB-CD1 3.62Å; L28-I57 HydrophobicContact CD1-CD1 4.2Å; N30-I57 HydrophobicContact CB-CB 4.01Å; N30-I57 HydrophobicContact CB-CG2 3.46Å; N30-I57 VanDerWaalsContact CB-CG2 3.46Å; N30-I57 PolarHBondContact ND2-O 3.19Å; L36-I57 PolarHBondContact N-O 3.26Å; L36-I57 PolarHBondContact O-N 3.48Å; F38-I57 HydrophobicContact CD1-CD1 3.71Å; F38-I57 HydrophobicContact CD1-CG1 3.59Å; F38-I57 HydrophobicContact CE1-CD1 4.04Å; F38-I57 HydrophobicContact CE1-CG1 3.76Å; F38-I57 HydrophobicContact CG-CD1 4.31Å; I57-R61 HydrophobicContact CG2-CB 4.47Å; I57-R61 WeakPolarHBondContact CG2-O 3.15Å; I57-K63 HydrophobicContact CD1-CB 4.15Å; I57-K63 HydrophobicContact CG1-CB 4.08Å
58D93.7Very high94Very high73 Ų7346.7 Ų46.739%0.3924%0.241SC..  trans-67.9158.6177.1-62.3-32.1000111.1N30 R35 Q60 R61N30-D58 PolarHBondContact ND2-O 3.49Å; N30-D58 VanDerWaalsContact ND2-O 3.17Å; R35-D58 WeakPolarHBondContact CD-OD1 3.26Å; R35-D58 IonicContact CZ-OD1 3.88Å; R35-D58 IonicContact NE-OD1 2.82Å; R35-D58 PolarHBondContact NE-OD1 3.12Å; R35-D58 IonicContact NH2-OD1 2.86Å; D58-Q60 PolarHBondContact O-N 3.06Å; D58-R61 HydrophobicContact CB-CB 4.26Å; D58-R61 HydrophobicContact CB-CG 3.91Å; D58-R61 WeakPolarHBondContact O-CB 3.24Å; D58-R61 PolarHBondContact O-N 3.13Å; D58-R61 VanDerWaalsContact O-N 3.13Å
59P94.8Very high94Very high52 Ų5246.7 Ų46.734%0.33824%0.241SC..THydrogen-bonded Turntrans-52.2134.8175.8-25.733.8000111.9N33 R61N33-P59 WeakPolarHBondContact O-CG 3.02Å; P59-R61 PolarHBondContact O-N 2.83Å; P59-R61 VanDerWaalsContact O-N 3.15Å
60Q94.9Very high93.6Very high97 Ų9749.4 Ų49.445%0.45325%0.247SC..THydrogen-bonded Turntrans58.423.9179.2-48.5-59.6-47.400114Y29 N30 A31 S32 D58Y29-Q60 PolarHBondContact OH-OE1 3.04Å; N30-Q60 WeakPolarHBondContact O-CA 3.17Å; N30-Q60 PolarHBondContact O-N 2.78Å; A31-Q60 PolarHBondContact O-NE2 3.1Å; S32-Q60 PolarHBondContact O-NE2 3.23Å; D58-Q60 PolarHBondContact O-N 3.06Å
61R96Very high93Very high169 Ų16949.3 Ų49.364%0.63825%0.25SS*.  trans-115.8164.8172.4-62.1-62.3-170.6165.30.1109.8Y29 N30 I57 D58 P59Y29-R61 WeakPolarHBondContact CD2-O 3.43Å; N30-R61 PolarHBondContact N-O 3.01Å; I57-R61 HydrophobicContact CG2-CB 4.47Å; I57-R61 WeakPolarHBondContact CG2-O 3.15Å; D58-R61 HydrophobicContact CB-CB 4.26Å; D58-R61 HydrophobicContact CB-CG 3.91Å; D58-R61 WeakPolarHBondContact O-CB 3.24Å; D58-R61 PolarHBondContact O-N 3.13Å; D58-R61 VanDerWaalsContact O-N 3.13Å; P59-R61 PolarHBondContact O-N 2.83Å; P59-R61 VanDerWaalsContact O-N 3.15Å
62G95.3Very high92.1Very high31 Ų3148.9 Ų48.932%0.3225%0.25SS..EExtended strand (participates in β ladder)trans-134165.8171.600000113.7F27 L28F27-G62 VanDerWaalsContact CZ-CA 3.5Å; L28-G62 CarbonylContact O-C 3.44Å; L28-G62 WeakPolarHBondContact O-CA 3.38Å
63K96.1Very high91.2Very high90 Ų9055.8 Ų55.839%0.39128%0.278SS..EExtended strand (participates in β ladder)trans-134.1128.2-176.5-164.977.8175.1-171.60109.1L28 F38 P52 I57L28-K63 PolarHBondContact N-O 2.84Å; L28-K63 PolarHBondContact O-N 3.31Å; F38-K63 HydrophobicContact CE1-CB 4.47Å; F38-K63 HydrophobicContact CE1-CG 4.2Å; F38-K63 HydrophobicContact CZ-CG 4.09Å; P52-K63 HydrophobicContact CG-CG 4.41Å; I57-K63 HydrophobicContact CD1-CB 4.15Å; I57-K63 HydrophobicContact CG1-CB 4.08Å
64T96.7Very high90.1Very high70 Ų7054 Ų5443%0.42929%0.292SS..EExtended strand (participates in β ladder)trans-82.3129.3171-55.30000109.7R25 I26 P52R25-T64 HydrophobicContact CB-CG2 4.16Å; R25-T64 HydrophobicContact CG-CG2 4.31Å; I26-T64 CarbonylContact O-C 3.36Å; I26-T64 WeakPolarHBondContact O-CA 3.49Å; P52-T64 WeakPolarHBondContact CD-O 3.35Å
65V96.6Very high89.3Confident0 Ų057.2 Ų57.20%031%0.306CS..EExtended strand (participates in β ladder)trans-112.5125.4170.2178.70000108.1R25 I26 L28 F38 M40 F50 L51 P52 I67R25-V65 WeakPolarHBondContact CA-O 3.28Å; I26-V65 HydrophobicContact CD1-CB 4.23Å; I26-V65 HydrophobicContact CG1-CB 3.77Å; I26-V65 HydrophobicContact CG1-CG1 4.48Å; I26-V65 PolarHBondContact N-O 3.3Å; I26-V65 PolarHBondContact O-N 2.87Å; L28-V65 HydrophobicContact CD1-CG2 3.75Å; L28-V65 HydrophobicContact CG-CG2 4.22Å; F38-V65 HydrophobicContact CE2-CG2 3.84Å; F38-V65 HydrophobicContact CZ-CG2 4.19Å; M40-V65 HydrophobicContact CE-CG1 4.3Å; M40-V65 HydrophobicContact CG-CG1 3.97Å; M40-V65 HydrophobicContact SD-CG1 4.05Å; M40-V65 HydrophobicContact SD-CG2 4.33Å; F50-V65 HydrophobicContact CB-CG1 4.43Å; L51-V65 CarbonylContact O-C 3.52Å; L51-V65 WeakPolarHBondContact O-CA 3.42Å; P52-V65 HydrophobicContact CG-CG2 4.42Å; V65-I67 HydrophobicContact CG1-CG1 4.48Å
66T95.8Very high88.3Confident19 Ų1964.4 Ų64.412%0.11734%0.335CS..EExtended strand (participates in β ladder)trans-91.4124.4170.4-53.40000108.5S24 R25 F50 L51 F68S24-T66 CarbonylContact O-C 3.58Å; S24-T66 WeakPolarHBondContact O-CA 3.43Å; R25-T66 HydrophobicContact CG-CG2 4.33Å; F50-T66 CarbonylContact C-O 3.57Å; F50-T66 WeakPolarHBondContact CA-O 3.29Å; L51-T66 PolarHBondContact N-O 3.26Å; L51-T66 PolarHBondContact O-N 3.16Å; T66-F68 HydrophobicContact CG2-CD1 4.23Å; T66-F68 HydrophobicContact CG2-CD2 4.36Å; T66-F68 HydrophobicContact CG2-CE1 3.73Å; T66-F68 HydrophobicContact CG2-CE2 3.83Å; T66-F68 HydrophobicContact CG2-CZ 3.51Å
67I94.7Very high87.3Confident0 Ų062.6 Ų62.60%033%0.328CS..EExtended strand (participates in β ladder)trans-103.3120.6177-53.4167.7000106.7V12 F14 S23 S24 I26 F48 F50 V65 L115V12-I67 HydrophobicContact CG1-CD1 4.16Å; V12-I67 HydrophobicContact CG2-CD1 3.97Å; F14-I67 HydrophobicContact CE2-CG2 4.17Å; F14-I67 HydrophobicContact CZ-CB 4.13Å; F14-I67 HydrophobicContact CZ-CG2 3.81Å; S23-I67 CarbonylContact C-O 3.55Å; S23-I67 VanDerWaalsContact CA-O 3.25Å; S23-I67 WeakPolarHBondContact CA-O 3.08Å; S24-I67 PolarHBondContact N-O 3.14Å; S24-I67 PolarHBondContact O-N 3.28Å; I26-I67 HydrophobicContact CD1-CD1 4.18Å; I26-I67 HydrophobicContact CG1-CD1 4.27Å; I26-I67 HydrophobicContact CG2-CD1 3.84Å; F48-I67 HydrophobicContact CD1-CG2 3.95Å; F50-I67 HydrophobicContact CD1-CB 4.38Å; F50-I67 HydrophobicContact CD1-CG1 3.99Å; F50-I67 HydrophobicContact CD1-CG2 4.09Å; F50-I67 HydrophobicContact CE1-CG1 4.16Å; F50-I67 HydrophobicContact CE1-CG2 3.84Å; V65-I67 HydrophobicContact CG1-CG1 4.48Å; I67-L115 HydrophobicContact CD1-CD2 3.26Å
68F92.1Very high85.8Confident27 Ų2764.5 Ų64.512%0.11835%0.347CS..EExtended strand (participates in β ladder)trans-101.6136.7177.2-66.1-70.3000109.7F21 Q22 F48 T49 L51 T66F21-F68 HydrophobicContact CD1-CD1 4.33Å; F21-F68 HydrophobicContact CE1-CB 4.2Å; F21-F68 AromaticContact CE1-CD1 3.15Å; F21-F68 HydrophobicContact CE1-CD1 3.15Å; F21-F68 AromaticContact CE1-CE1 3.7Å; F21-F68 HydrophobicContact CE1-CE1 3.7Å; F21-F68 AromaticContact CE1-CG 3.94Å; F21-F68 HydrophobicContact CE1-CG 3.94Å; F21-F68 HydrophobicContact CE2-CB 3.98Å; F21-F68 HydrophobicContact CE2-CD1 4.44Å; F21-F68 HydrophobicContact CZ-CB 3.39Å; F21-F68 AromaticContact CZ-CD1 3.22Å; F21-F68 HydrophobicContact CZ-CD1 3.22Å; F21-F68 HydrophobicContact CZ-CE1 4.1Å; F21-F68 AromaticContact CZ-CG 3.5Å; F21-F68 HydrophobicContact CZ-CG 3.5Å; F21-F68 VanDerWaalsContact CZ-CG 3.5Å; Q22-F68 CarbonylContact O-C 3.48Å; Q22-F68 WeakPolarHBondContact O-CA 3.44Å; F48-F68 VanDerWaalsContact CA-O 3.31Å; F48-F68 WeakPolarHBondContact CA-O 3.45Å; T49-F68 PolarHBondContact N-O 3.35Å; T49-F68 PolarHBondContact O-N 3.34Å; T49-F68 VanDerWaalsContact OG1-CB 3.28Å; T49-F68 WeakPolarHBondContact OG1-CB 3.42Å; L51-F68 HydrophobicContact CB-CE2 3.84Å; L51-F68 HydrophobicContact CD2-CE2 4.31Å; T66-F68 HydrophobicContact CG2-CD1 4.23Å; T66-F68 HydrophobicContact CG2-CD2 4.36Å; T66-F68 HydrophobicContact CG2-CE1 3.73Å; T66-F68 HydrophobicContact CG2-CE2 3.83Å; T66-F68 HydrophobicContact CG2-CZ 3.51Å
69F90Very high84.1Confident3 Ų365.8 Ų65.81%0.01336%0.362CS..EExtended strand (participates in β ladder)trans-120.4123.8178172.6-114.9000110.2F14 Q22 R47 F48 A71 M77 F119F14-F69 HydrophobicContact CB-CD1 3.95Å; F14-F69 HydrophobicContact CB-CG 4.39Å; F14-F69 HydrophobicContact CD1-CB 3.58Å; F14-F69 HydrophobicContact CD1-CD1 4.25Å; F14-F69 HydrophobicContact CD1-CG 4.23Å; F14-F69 HydrophobicContact CD2-CB 4.14Å; F14-F69 HydrophobicContact CD2-CG 4.44Å; F14-F69 HydrophobicContact CE1-CB 3.6Å; F14-F69 HydrophobicContact CE2-CB 4.17Å; F14-F69 HydrophobicContact CG-CB 3.85Å; F14-F69 HydrophobicContact CG-CD1 4.11Å; F14-F69 HydrophobicContact CG-CG 4.1Å; F14-F69 HydrophobicContact CZ-CB 3.91Å; Q22-F69 HydrophobicContact CB-CB 4.46Å; Q22-F69 HydrophobicContact CB-CD1 4.48Å; Q22-F69 PolarHBondContact N-O 3.41Å; Q22-F69 PolarHBondContact O-N 2.74Å; R47-F69 HydrophobicContact CB-CD2 4.36Å; R47-F69 HydrophobicContact CB-CE2 4.23Å; R47-F69 WeakPolarHBondContact O-CA 3.47Å; F48-F69 HydrophobicContact CD1-CB 4.33Å; F48-F69 HydrophobicContact CD1-CD2 4.19Å; F48-F69 HydrophobicContact CE1-CB 4.08Å; F48-F69 AromaticContact CE1-CD2 3.65Å; F48-F69 HydrophobicContact CE1-CD2 3.65Å; F48-F69 HydrophobicContact CE1-CG 4.2Å; F48-F69 HydrophobicContact CE2-CD2 4.38Å; F48-F69 AromaticContact CZ-CD2 3.78Å; F48-F69 HydrophobicContact CZ-CD2 3.78Å; F48-F69 HydrophobicContact CZ-CE2 4.25Å; F69-A71 HydrophobicContact CD1-CB 4.44Å; F69-A71 HydrophobicContact CE1-CB 3.7Å; F69-A71 HydrophobicContact CZ-CB 4.08Å; F69-M77 HydrophobicContact CE2-CE 4.4Å; F69-M77 HydrophobicContact CE2-CG 4.19Å; F69-M77 HydrophobicContact CZ-CG 3.96Å; F69-F119 HydrophobicContact CD1-CE1 4.12Å; F69-F119 HydrophobicContact CD2-CE1 4.1Å; F69-F119 HydrophobicContact CD2-CZ 4.37Å; F69-F119 HydrophobicContact CE1-CD1 4.25Å; F69-F119 AromaticContact CE1-CE1 3.63Å; F69-F119 HydrophobicContact CE1-CE1 3.63Å; F69-F119 AromaticContact CE2-CE1 3.64Å; F69-F119 HydrophobicContact CE2-CE1 3.64Å; F69-F119 AromaticContact CE2-CZ 3.9Å; F69-F119 HydrophobicContact CE2-CZ 3.9Å; F69-F119 HydrophobicContact CG-CE1 4.33Å; F69-F119 HydrophobicContact CZ-CD1 4.24Å; F69-F119 AromaticContact CZ-CE1 3.38Å; F69-F119 HydrophobicContact CZ-CE1 3.38Å; F69-F119 HydrophobicContact CZ-CZ 4.07Å
70K85.8Confident82Confident116 Ų11667.2 Ų67.250%0.50438%0.378SS..  trans-99103.2173.1-174.8-177.3179.2-175.80109.4R47R47-K70 VanDerWaalsContact CD-O 3.26Å; R47-K70 WeakPolarHBondContact CD-O 2.93Å; R47-K70 PolarHBondContact O-N 3.1Å
71A80.4Confident80.3Confident20 Ų2067.5 Ų67.517%0.16538%0.383CS..  trans-72.6145.3170.200000110.8F69F69-A71 HydrophobicContact CD1-CB 4.44Å; F69-A71 HydrophobicContact CE1-CB 3.7Å; F69-A71 HydrophobicContact CZ-CB 4.08Å
72V76.4Confident78.5Confident54 Ų5463.5 Ų63.533%0.32738%0.38SS..  trans-117135.7175.1175.70000109.6G74 E75V72-G74 PolarHBondContact O-N 2.83Å; V72-E75 PolarHBondContact O-N 2.61Å
73K74.6Confident77.7Confident166 Ų16663 Ų6372%0.72237%0.368SS*.THydrogen-bonded Turntrans-59.2126.5179.9-172.6-180-179.9-1770110.1Y18Y18-K73 HydrophobicContact CD2-CB 4.24Å; Y18-K73 HydrophobicContact CD2-CG 4.17Å; Y18-K73 HydrophobicContact CE2-CG 4.27Å; Y18-K73 HydrophobicContact CG-CB 4.46Å
74G70.7Confident77.5Confident83 Ų8358.7 Ų58.786%0.85635%0.35SS*.THydrogen-bonded Turntrans90.1-8.7177.400000115.1V72V72-G74 PolarHBondContact O-N 2.83Å
75E73.3Confident77.3Confident74 Ų7456.1 Ų56.135%0.34634%0.335SS..  trans-107.1114.6177.6-168.4-179.7157.100110.5R44 R47 V72R44-E75 IonicContact CZ-OE1 3.84Å; R44-E75 IonicContact NH2-OE1 3.5Å; R44-E75 PolarHBondContact NH2-OE1 3.33Å; R44-E75 IonicContact NH2-OE2 2.69Å; R47-E75 IonicContact CZ-OE1 3.79Å; R47-E75 IonicContact CZ-OE2 3.04Å; R47-E75 VanDerWaalsContact NH1-CD 3.27Å; R47-E75 IonicContact NH1-OE1 3.54Å; R47-E75 IonicContact NH1-OE2 2.76Å; R47-E75 PolarHBondContact NH1-OE2 3.02Å; R47-E75 IonicContact NH2-OE1 3.76Å; R47-E75 IonicContact NH2-OE2 2.61Å; R47-E75 PolarHBondContact NH2-OE2 3.24Å; V72-E75 PolarHBondContact O-N 2.61Å
76K70.6Confident77.2Confident157 Ų15756.1 Ų56.168%0.68334%0.335SS*.PPolyproline II helixtrans-88122.2170-70.1-168.1174.7-162.80108.8G78 D121K76-G78 PolarHBondContact O-N 2.76Å; K76-D121 IonicContact NZ-OD2 3.74Å
77M70.7Confident77.1Confident11 Ų1155.3 Ų55.35%0.05433%0.33CS..PPolyproline II helixtrans-74.1119172.5-68.5-70.2-88.600108.4N16 R44 F48 F69 Y83 F119N16-M77 PolarHBondContact OD1-N 2.82Å; R44-M77 HydrophobicContact CG-CE 4.49Å; F48-M77 HydrophobicContact CE2-CE 4.21Å; F69-M77 HydrophobicContact CE2-CE 4.4Å; F69-M77 HydrophobicContact CE2-CG 4.19Å; F69-M77 HydrophobicContact CZ-CG 3.96Å; M77-Y83 HydrophobicContact CE-CD1 4.19Å; M77-Y83 HydrophobicContact CE-CD2 4.18Å; M77-Y83 HydrophobicContact CE-CE1 3.81Å; M77-Y83 HydrophobicContact CE-CE2 3.85Å; M77-Y83 HydrophobicContact CE-CG 4.35Å; M77-F119 HydrophobicContact CB-CD1 3.92Å; M77-F119 HydrophobicContact CB-CD2 3.56Å; M77-F119 HydrophobicContact CB-CE1 3.87Å; M77-F119 HydrophobicContact CB-CE2 3.49Å; M77-F119 VanDerWaalsContact CB-CE2 3.49Å; M77-F119 HydrophobicContact CB-CG 3.76Å; M77-F119 HydrophobicContact CB-CZ 3.62Å; M77-F119 HydrophobicContact CE-CE2 4.2Å; M77-F119 HydrophobicContact CE-CZ 3.9Å; M77-F119 HydrophobicContact CG-CD1 4.5Å; M77-F119 HydrophobicContact CG-CE1 4.04Å; M77-F119 HydrophobicContact CG-CE2 4.15Å; M77-F119 HydrophobicContact CG-CZ 3.81Å
78G63.2Low77Confident42 Ų4255.3 Ų55.343%0.43333%0.33SS..PPolyproline II helixtrans-68.1149169.700000110.8K76 A80 Y83K76-G78 PolarHBondContact O-N 2.76Å; G78-A80 PolarHBondContact O-N 2.82Å; G78-A80 VanDerWaalsContact O-N 3.1Å; G78-Y83 PolarHBondContact O-OH 3.31Å
79S58.4Low77Confident100 Ų10056.4 Ų56.470%0.69933%0.334SS*.SBendtrans-73.610.7179.350.60000114.7
80A49.7Very low77.1Confident82 Ų8259.3 Ų59.368%0.67835%0.348SS*.  trans-108.79.2-157.900000117G78G78-A80 PolarHBondContact O-N 2.82Å; G78-A80 VanDerWaalsContact O-N 3.1Å
81N59.7Low77.1Confident104 Ų10454.4 Ų54.456%0.55633%0.327SS*.SBendtrans-137.3132.5177.8-68.2-46.5000111.1Y83N81-Y83 VanDerWaalsContact C-N 3.3Å; N81-Y83 HydrophobicContact CB-CD1 4.33Å; N81-Y83 HydrophobicContact CB-CE1 3.86Å; N81-Y83 HydrophobicContact CB-CE2 4.33Å; N81-Y83 WeakPolarHBondContact O-CD2 3.47Å; N81-Y83 VanDerWaalsContact O-CE2 3.29Å; N81-Y83 WeakPolarHBondContact O-CE2 3.19Å; N81-Y83 PolarHBondContact O-N 3.31Å
82C58.6Low76.8Confident84 Ų8458 Ų5857%0.56835%0.349SS*.  trans-64.493.5168.8-69.50000108.5C84C82-C84 VanDerWaalsContact C-N 3.3Å
83Y77.5Confident76.7Confident20 Ų2058.8 Ų58.88%0.07835%0.352CS..  trans-75-22.8-179-62.9-68.6000112.4T42 T43 R44 F48 M77 G78 N81 I117 F119T42-Y83 CarbonylContact C-O 3.52Å; T42-Y83 WeakPolarHBondContact CA-O 3.38Å; T42-Y83 WeakPolarHBondContact CB-O 3.31Å; T42-Y83 PolarHBondContact OG1-O 3.02Å; T43-Y83 PolarHBondContact N-O 3.47Å; R44-Y83 HydrophobicContact CB-CD1 4.33Å; R44-Y83 HydrophobicContact CG-CD1 3.42Å; R44-Y83 VanDerWaalsContact CG-CD1 3.42Å; R44-Y83 HydrophobicContact CG-CE1 3.78Å; R44-Y83 HydrophobicContact CG-CG 4.42Å; F48-Y83 VanDerWaalsContact CE2-CB 3.49Å; F48-Y83 HydrophobicContact CE2-CD2 4.29Å; F48-Y83 AromaticContact CE2-CG 3.86Å; F48-Y83 HydrophobicContact CE2-CG 3.86Å; F48-Y83 HydrophobicContact CZ-CD2 4.44Å; F48-Y83 HydrophobicContact CZ-CG 4.41Å; M77-Y83 HydrophobicContact CE-CD1 4.19Å; M77-Y83 HydrophobicContact CE-CD2 4.18Å; M77-Y83 HydrophobicContact CE-CE1 3.81Å; M77-Y83 HydrophobicContact CE-CE2 3.85Å; M77-Y83 HydrophobicContact CE-CG 4.35Å; G78-Y83 PolarHBondContact O-OH 3.31Å; N81-Y83 VanDerWaalsContact C-N 3.3Å; N81-Y83 HydrophobicContact CB-CD1 4.33Å; N81-Y83 HydrophobicContact CB-CE1 3.86Å; N81-Y83 HydrophobicContact CB-CE2 4.33Å; N81-Y83 WeakPolarHBondContact O-CD2 3.47Å; N81-Y83 VanDerWaalsContact O-CE2 3.29Å; N81-Y83 WeakPolarHBondContact O-CE2 3.19Å; N81-Y83 PolarHBondContact O-N 3.31Å; Y83-I117 HydrophobicContact CD2-CB 4.38Å; Y83-F119 AromaticContact CD2-CE2 3.93Å; Y83-F119 HydrophobicContact CD2-CE2 3.93Å; Y83-F119 HydrophobicContact CD2-CZ 4.5Å; Y83-F119 AromaticContact CE2-CE2 3.68Å; Y83-F119 HydrophobicContact CE2-CE2 3.68Å; Y83-F119 HydrophobicContact CE2-CZ 4.49Å
84C91.5Very high76.2Confident1 Ų154.9 Ų54.91%0.00735%0.345CS..EExtended strand (participates in β ladder)trans-129.7147.6-174-60.70000111.1C41 F50 C82 L115 I117C41-C84 CarbonylContact O-C 3.58Å; C41-C84 VanDerWaalsContact O-CA 3.28Å; C41-C84 WeakPolarHBondContact O-CA 3.26Å; F50-C84 HydrophobicContact CE1-CB 4.36Å; F50-C84 HydrophobicContact CZ-CB 4.19Å; C82-C84 VanDerWaalsContact C-N 3.3Å; C84-L115 HydrophobicContact CB-CB 4.09Å; C84-L115 HydrophobicContact CB-CD2 4.08Å; C84-L115 PolarHBondContact O-N 2.8Å; C84-I117 HydrophobicContact CB-CD1 4.06Å; C84-I117 HydrophobicContact CB-CG1 4.17Å
85S93.7Very high76.1Confident16 Ų1661.6 Ų61.611%0.11234%0.344CS..EExtended strand (participates in β ladder)trans-148.116017158.20000110.5C41 F113C41-S85 PolarHBondContact N-O 2.77Å; C41-S85 PolarHBondContact O-N 3.28Å; S85-F113 CarbonylContact C-O 3.59Å; S85-F113 VanDerWaalsContact CA-O 3.3Å; S85-F113 WeakPolarHBondContact CA-O 3.48Å; S85-F113 WeakPolarHBondContact CB-O 3.35Å
86I94.1Very high75.9Confident0 Ų061.2 Ų61.20%034%0.344CS..EExtended strand (participates in β ladder)trans-108.9124.1171-53.4109.9000107.8L4 V6 I26 L28 F38 K39 M40 R112 F113L4-I86 HydrophobicContact CD2-CB 4.44Å; L4-I86 HydrophobicContact CD2-CG2 3.84Å; V6-I86 HydrophobicContact CG1-CD1 4.21Å; V6-I86 HydrophobicContact CG2-CD1 3.85Å; I26-I86 HydrophobicContact CD1-CD1 4.22Å; L28-I86 HydrophobicContact CD1-CG2 4.34Å; L28-I86 HydrophobicContact CD2-CD1 3.98Å; L28-I86 HydrophobicContact CD2-CG1 4.14Å; F38-I86 HydrophobicContact CB-CG2 3.98Å; F38-I86 HydrophobicContact CD2-CG2 4.32Å; K39-I86 CarbonylContact O-C 3.53Å; K39-I86 WeakPolarHBondContact O-CA 3.43Å; M40-I86 HydrophobicContact CE-CG1 3.85Å; M40-I86 HydrophobicContact SD-CB 4.4Å; M40-I86 HydrophobicContact SD-CG1 3.49Å; M40-I86 WeakPolarHBondContact SD-CG1 3.25Å; M40-I86 HydrophobicContact SD-CG2 4.43Å; I86-R112 CarbonylContact O-C 3.46Å; I86-R112 WeakPolarHBondContact O-CA 3.38Å; I86-F113 HydrophobicContact CB-CB 4.28Å; I86-F113 HydrophobicContact CD1-CB 4.37Å; I86-F113 PolarHBondContact N-O 2.84Å; I86-F113 PolarHBondContact O-N 2.85Å
87L93.4Very high75.8Confident1 Ų154.8 Ų54.81%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-96.2124169.2-174.467.1000108.2F38 K39 L104 D108 R112F38-L87 CarbonylContact C-O 3.59Å; F38-L87 WeakPolarHBondContact CA-O 3.41Å; K39-L87 PolarHBondContact N-O 2.78Å; K39-L87 PolarHBondContact O-N 2.86Å; L87-L104 HydrophobicContact CB-CD2 4.44Å; L87-L104 HydrophobicContact CD2-CD2 3.45Å; L87-L104 VanDerWaalsContact CD2-CD2 3.45Å; L87-L104 HydrophobicContact CG-CD2 3.56Å; L87-D108 WeakPolarHBondContact CD2-OD1 3.14Å; L87-R112 HydrophobicContact CD1-CB 4.3Å
88A93.1Very high75.7Confident0 Ų057.1 Ų57.10%034%0.337CS..EExtended strand (participates in β ladder)trans-132.7145.2-179.300000112.9V2 L4 V37 F38 G110 E111 F113V2-A88 HydrophobicContact CG1-CB 4.1Å; L4-A88 HydrophobicContact CD2-CB 4.03Å; V37-A88 CarbonylContact O-C 3.56Å; V37-A88 VanDerWaalsContact O-CA 3.25Å; V37-A88 WeakPolarHBondContact O-CA 3.39Å; F38-A88 HydrophobicContact CB-CB 4.31Å; A88-G110 CarbonylContact O-C 3.51Å; A88-G110 WeakPolarHBondContact O-CA 3.26Å; A88-E111 PolarHBondContact N-O 2.85Å; A88-E111 PolarHBondContact O-N 3.47Å; A88-F113 HydrophobicContact CB-CD2 4.42Å; A88-F113 HydrophobicContact CB-CE2 4.06Å
89K92Very high76.1Confident50 Ų5060.9 Ų60.922%0.21735%0.345CS..EExtended strand (participates in β ladder)trans-142.2145.4179.4-166.3175.3-175.7178.20110.5L36 V37 F100 L104 E109L36-K89 WeakPolarHBondContact CA-O 3.37Å; V37-K89 HydrophobicContact CG1-CB 4.09Å; V37-K89 VanDerWaalsContact CG1-O 3.3Å; V37-K89 WeakPolarHBondContact CG1-O 3.09Å; V37-K89 PolarHBondContact N-O 3.05Å; V37-K89 PolarHBondContact O-N 3.06Å; K89-F100 HydrophobicContact CD-CD1 4.16Å; K89-F100 HydrophobicContact CD-CE1 4Å; K89-L104 HydrophobicContact CB-CD1 4.24Å; K89-L104 HydrophobicContact CB-CD2 4.35Å; K89-E109 WeakPolarHBondContact CD-O 3.46Å; K89-E109 IonicContact NZ-OE2 2.66Å; K89-E109 PolarHBondContact NZ-OE2 2.82Å
90E91.2Very high76.7Confident65 Ų6557.3 Ų57.330%0.30432%0.317SS..EExtended strand (participates in β ladder)trans-69.1132.3170.9-71.5177.9166.400110.3M1 V2 A34 L36 P92M1-E90 WeakPolarHBondContact CA-OE1 3.25Å; M1-E90 PolarHBondContact N-OE1 2.93Å; M1-E90 PolarHBondContact N-OE2 3.27Å; M1-E90 VanDerWaalsContact N-OE2 3.08Å; V2-E90 HydrophobicContact CG2-CG 3.98Å; V2-E90 PolarHBondContact N-OE1 3.16Å; A34-E90 HydrophobicContact CB-CB 4.27Å; A34-E90 HydrophobicContact CB-CG 3.94Å; L36-E90 HydrophobicContact CD2-CB 4.34Å; L36-E90 HydrophobicContact CD2-CG 3.61Å; E90-P92 WeakPolarHBondContact O-CD 3.22Å
91L85.9Confident77.8Confident12 Ų1254.7 Ų54.76%0.06329%0.289CS..  trans-83.4116.6168.8-86.3142.8000109.2R35 V37 F56 N93 F100R35-L91 HydrophobicContact CB-CB 4.35Å; R35-L91 HydrophobicContact CB-CD1 4.44Å; R35-L91 HydrophobicContact CG-CD1 3.99Å; R35-L91 WeakPolarHBondContact O-CB 3.4Å; R35-L91 PolarHBondContact O-N 2.86Å; V37-L91 HydrophobicContact CB-CD1 3.81Å; V37-L91 HydrophobicContact CB-CG 4.25Å; V37-L91 HydrophobicContact CG1-CD1 4.13Å; V37-L91 HydrophobicContact CG1-CG 4.04Å; F56-L91 HydrophobicContact CD1-CD1 3.37Å; F56-L91 HydrophobicContact CE1-CD1 3.66Å; F56-L91 HydrophobicContact CE1-CD2 4.49Å; F56-L91 HydrophobicContact CG-CD1 4.49Å; L91-N93 VanDerWaalsContact C-N 3.3Å; L91-N93 PolarHBondContact O-N 3.17Å; L91-F100 HydrophobicContact CD2-CB 4.11Å; L91-F100 HydrophobicContact CD2-CD1 4.45Å; L91-F100 HydrophobicContact CD2-CD2 3.96Å; L91-F100 HydrophobicContact CD2-CG 3.89Å
92P74.9Confident78.3Confident95 Ų9554.3 Ų54.362%0.61729%0.287SS*.SBendtrans-72.5-25.4178.327.8-32.2000112.4E90 M96 F100E90-P92 WeakPolarHBondContact O-CD 3.22Å; P92-M96 HydrophobicContact CG-CE 3.76Å; P92-F100 HydrophobicContact CG-CE1 4.37Å; P92-F100 HydrophobicContact CG-CE2 3.81Å; P92-F100 HydrophobicContact CG-CZ 3.41Å; P92-F100 VanDerWaalsContact CG-CZ 3.41Å
93N73Confident78.8Confident72 Ų7252.3 Ų52.339%0.38527%0.272SS..  trans-148.9133.7178.5-170-26.6000110.3L91 R95 M96L91-N93 VanDerWaalsContact C-N 3.3Å; L91-N93 PolarHBondContact O-N 3.17Å; N93-R95 PolarHBondContact O-N 2.82Å; N93-R95 VanDerWaalsContact O-N 3.15Å; N93-R95 PolarHBondContact OD1-N 2.83Å; N93-M96 HydrophobicContact CB-CE 3.63Å; N93-M96 HydrophobicContact CB-CG 4.49Å; N93-M96 PolarHBondContact O-N 3.1Å; N93-M96 VanDerWaalsContact O-N 3.16Å
94S66Low78.5Confident83 Ų8351.3 Ų51.358%0.5827%0.269SS*.G310 helixtrans-59-25178.756.60000113.6
95R67.8Low77.3Confident224 Ų22455.1 Ų55.185%0.84529%0.288SS*.G310 helixtrans-76-16179.5-63.6-173.9-180-172.40114.6N93N93-R95 PolarHBondContact O-N 2.82Å; N93-R95 VanDerWaalsContact O-N 3.15Å; N93-R95 PolarHBondContact OD1-N 2.83Å
96M68.1Low76.3Confident67 Ų6760 Ų6033%0.3331%0.313SS..G310 helixtrans-97.813.1-175.6-66.6-167.8-74.900113.9P92 N93 S98 M99 F100P92-M96 HydrophobicContact CG-CE 3.76Å; N93-M96 HydrophobicContact CB-CE 3.63Å; N93-M96 HydrophobicContact CB-CG 4.49Å; N93-M96 PolarHBondContact O-N 3.1Å; N93-M96 VanDerWaalsContact O-N 3.16Å; M96-S98 VanDerWaalsContact C-N 3.26Å; M96-S98 PolarHBondContact O-N 3.29Å; M96-S98 VanDerWaalsContact O-N 3.09Å; M96-M99 PolarHBondContact O-N 3.48Å; M96-M99 VanDerWaalsContact O-N 3.15Å; M96-F100 HydrophobicContact CB-CD2 3.92Å; M96-F100 HydrophobicContact CB-CE2 3.96Å; M96-F100 HydrophobicContact CE-CE2 4.32Å; M96-F100 WeakPolarHBondContact O-CD2 3.19Å; M96-F100 PolarHBondContact O-N 2.69Å
97A68.7Low75.4Confident21 Ų2164.6 Ų64.617%0.17434%0.337CS..Hα-helixtrans-49.4-39.9-173.800000114.7F56 W101F56-A97 HydrophobicContact CE1-CB 3.98Å; F56-A97 HydrophobicContact CE2-CB 4.22Å; F56-A97 HydrophobicContact CZ-CB 3.55Å; A97-W101 VanDerWaalsContact O-CD1 3.24Å
98S70.1Confident74.6Confident61 Ų6168.5 Ų68.543%0.42736%0.358SS..Hα-helixtrans-70-47.3179.452.80000113M96 F100 W101 D102M96-S98 VanDerWaalsContact C-N 3.26Å; M96-S98 PolarHBondContact O-N 3.29Å; M96-S98 VanDerWaalsContact O-N 3.09Å; S98-F100 PolarHBondContact O-N 2.78Å; S98-W101 WeakPolarHBondContact O-CB 3.45Å; S98-W101 PolarHBondContact O-N 3.38Å; S98-D102 PolarHBondContact O-N 3.35Å
99M69.9Low73.9Confident120 Ų12072.3 Ų72.359%0.59138%0.376SS*.Hα-helixtrans-61.2-31.5-180-62.2179.6-172.800112.2M96 W101 D102 T103M96-M99 PolarHBondContact O-N 3.48Å; M96-M99 VanDerWaalsContact O-N 3.15Å; M99-W101 VanDerWaalsContact C-N 3.31Å; M99-D102 PolarHBondContact O-N 3.06Å; M99-T103 WeakPolarHBondContact O-CB 3.41Å; M99-T103 PolarHBondContact O-N 2.92Å; M99-T103 PolarHBondContact O-OG1 2.87Å
100F72.4Confident73.6Confident26 Ų2671.8 Ų71.811%0.11439%0.385CS..Hα-helixtrans-68.6-30.6177.2-89.7-97.7000112.4V37 K89 L91 P92 M96 S98 T103 L104V37-F100 HydrophobicContact CG1-CB 4.45Å; V37-F100 HydrophobicContact CG1-CD1 4.36Å; K89-F100 HydrophobicContact CD-CD1 4.16Å; K89-F100 HydrophobicContact CD-CE1 4Å; L91-F100 HydrophobicContact CD2-CB 4.11Å; L91-F100 HydrophobicContact CD2-CD1 4.45Å; L91-F100 HydrophobicContact CD2-CD2 3.96Å; L91-F100 HydrophobicContact CD2-CG 3.89Å; P92-F100 HydrophobicContact CG-CE1 4.37Å; P92-F100 HydrophobicContact CG-CE2 3.81Å; P92-F100 HydrophobicContact CG-CZ 3.41Å; P92-F100 VanDerWaalsContact CG-CZ 3.41Å; M96-F100 HydrophobicContact CB-CD2 3.92Å; M96-F100 HydrophobicContact CB-CE2 3.96Å; M96-F100 HydrophobicContact CE-CE2 4.32Å; M96-F100 WeakPolarHBondContact O-CD2 3.19Å; M96-F100 PolarHBondContact O-N 2.69Å; S98-F100 PolarHBondContact O-N 2.78Å; F100-T103 PolarHBondContact O-N 2.98Å; F100-L104 VanDerWaalsContact O-CB 3.26Å; F100-L104 WeakPolarHBondContact O-CB 3.16Å; F100-L104 WeakPolarHBondContact O-CD1 3.5Å; F100-L104 PolarHBondContact O-N 2.9Å
101W71.2Confident73.6Confident26 Ų2672.6 Ų72.610%0.09839%0.389CS..Hα-helixtrans-64.6-49.6173.4-81.4111.1000111.7V37 F38 K39 G55 F56 A97 S98 M99 T103 L104 I105V37-W101 HydrophobicContact CG2-CD2 4.33Å; V37-W101 HydrophobicContact CG2-CH2 4.04Å; V37-W101 HydrophobicContact CG2-CZ2 3.71Å; V37-W101 HydrophobicContact CG2-CZ3 4.49Å; F38-W101 WeakPolarHBondContact O-CH2 3.5Å; K39-W101 HydrophobicContact CB-CH2 4.44Å; K39-W101 HydrophobicContact CB-CZ3 3.91Å; K39-W101 HydrophobicContact CG-CZ3 4.17Å; G55-W101 VanDerWaalsContact N-CZ2 3.31Å; F56-W101 AromaticContact CE1-NE1 3.83Å; F56-W101 AromaticContact CE2-NE1 3.88Å; F56-W101 AromaticContact CZ-CD1 3.9Å; F56-W101 AromaticContact CZ-NE1 3.22Å; A97-W101 VanDerWaalsContact O-CD1 3.24Å; S98-W101 WeakPolarHBondContact O-CB 3.45Å; S98-W101 PolarHBondContact O-N 3.38Å; M99-W101 VanDerWaalsContact C-N 3.31Å; W101-T103 PolarHBondContact O-N 3.1Å; W101-L104 PolarHBondContact O-N 2.84Å; W101-I105 HydrophobicContact CB-CD1 4.4Å; W101-I105 HydrophobicContact CE3-CD1 4.1Å; W101-I105 HydrophobicContact CE3-CG1 4.29Å; W101-I105 VanDerWaalsContact O-CB 3.26Å; W101-I105 WeakPolarHBondContact O-CB 3.47Å; W101-I105 WeakPolarHBondContact O-CD1 3.13Å; W101-I105 WeakPolarHBondContact O-CG1 3.49Å; W101-I105 PolarHBondContact O-N 2.87Å
102D71.6Confident73.9Confident97 Ų9778 Ų7852%0.51941%0.408SS..Hα-helixtrans-59.4-41.2177.5-59.3-29.8000110.5S98 M99 N106S98-D102 PolarHBondContact O-N 3.35Å; M99-D102 PolarHBondContact O-N 3.06Å; D102-N106 WeakPolarHBondContact O-CB 3.48Å; D102-N106 PolarHBondContact O-N 2.9Å; D102-N106 PolarHBondContact O-ND2 2.96Å
103T69.4Low74.7Confident41 Ų4175.1 Ų75.125%0.25239%0.386SS..Hα-helixtrans-67.5-45.8178.3-49.90000112.3M99 F100 W101 N107 E109M99-T103 WeakPolarHBondContact O-CB 3.41Å; M99-T103 PolarHBondContact O-N 2.92Å; M99-T103 PolarHBondContact O-OG1 2.87Å; F100-T103 PolarHBondContact O-N 2.98Å; W101-T103 PolarHBondContact O-N 3.1Å; T103-N107 VanDerWaalsContact O-CB 3.27Å; T103-N107 WeakPolarHBondContact O-CB 3.34Å; T103-N107 PolarHBondContact O-N 3.08Å; T103-E109 WeakPolarHBondContact CG2-OE2 3.3Å
104L70.5Confident75.6Confident0 Ų076.3 Ų76.30%040%0.398CS..Hα-helixtrans-65.4-40.6178.3-95147.1000112.2V37 L87 K89 F100 W101 D108 E109V37-L104 HydrophobicContact CB-CD1 3.98Å; V37-L104 HydrophobicContact CG1-CD1 3.23Å; V37-L104 HydrophobicContact CG2-CD1 3.55Å; L87-L104 HydrophobicContact CB-CD2 4.44Å; L87-L104 HydrophobicContact CD2-CD2 3.45Å; L87-L104 VanDerWaalsContact CD2-CD2 3.45Å; L87-L104 HydrophobicContact CG-CD2 3.56Å; K89-L104 HydrophobicContact CB-CD1 4.24Å; K89-L104 HydrophobicContact CB-CD2 4.35Å; F100-L104 VanDerWaalsContact O-CB 3.26Å; F100-L104 WeakPolarHBondContact O-CB 3.16Å; F100-L104 WeakPolarHBondContact O-CD1 3.5Å; F100-L104 PolarHBondContact O-N 2.9Å; W101-L104 PolarHBondContact O-N 2.84Å; L104-D108 WeakPolarHBondContact O-CA 3.26Å; L104-D108 PolarHBondContact O-N 2.59Å; L104-E109 WeakPolarHBondContact CD2-O 3.43Å
105I66.7Low76.8Confident80 Ų8072.5 Ų72.541%0.4137%0.371SS..Hα-helixtrans-70.6-45.7-179.3-67.7166.9000110.2K39 W101K39-I105 HydrophobicContact CD-CG1 4.07Å; W101-I105 HydrophobicContact CB-CD1 4.4Å; W101-I105 HydrophobicContact CE3-CD1 4.1Å; W101-I105 HydrophobicContact CE3-CG1 4.29Å; W101-I105 VanDerWaalsContact O-CB 3.26Å; W101-I105 WeakPolarHBondContact O-CB 3.47Å; W101-I105 WeakPolarHBondContact O-CD1 3.13Å; W101-I105 WeakPolarHBondContact O-CG1 3.49Å; W101-I105 PolarHBondContact O-N 2.87Å
106N71.5Confident77.9Confident120 Ų12068 Ų6864%0.64236%0.357SS*.Hα-helixtrans-84.4-32.7-171.5-63.4-29.1000113.1D102D102-N106 WeakPolarHBondContact O-CB 3.48Å; D102-N106 PolarHBondContact O-N 2.9Å; D102-N106 PolarHBondContact O-ND2 2.96Å
107N76.5Confident78.8Confident96 Ų9665 Ų6551%0.51334%0.343SS..Hα-helixtrans-109.2-2.5-172.6-57.2-12.8000113.6T103 E109T103-N107 VanDerWaalsContact O-CB 3.27Å; T103-N107 WeakPolarHBondContact O-CB 3.34Å; T103-N107 PolarHBondContact O-N 3.08Å; N107-E109 HydrophobicContact CB-CB 4.3Å; N107-E109 HydrophobicContact CB-CG 3.63Å; N107-E109 WeakPolarHBondContact CB-OE1 3.47Å; N107-E109 PolarHBondContact ND2-OE1 3.02Å; N107-E109 PolarHBondContact O-N 2.76Å
108D76.1Confident79.7Confident83 Ų8365.9 Ų65.944%0.44435%0.346SS..  trans51.928-175.1-115.1-11.9000112L87 L104 G110 R112L87-D108 WeakPolarHBondContact CD2-OD1 3.14Å; L104-D108 WeakPolarHBondContact O-CA 3.26Å; L104-D108 PolarHBondContact O-N 2.59Å; D108-G110 PolarHBondContact O-N 3.03Å; D108-R112 IonicContact OD1-NH2 3.89Å; D108-R112 PolarHBondContact OD1-NH2 3.28Å; D108-R112 IonicContact OD2-CZ 3.39Å; D108-R112 IonicContact OD2-NH2 3.52Å; D108-R112 PolarHBondContact OD2-NH2 2.86Å
109E77.7Confident80.5Confident79 Ų7964 Ų6437%0.36933%0.33SS..  trans-78.1111.2-175.2-82.2177.6-145.500110.7K89 T103 L104 N107K89-E109 WeakPolarHBondContact CD-O 3.46Å; K89-E109 IonicContact NZ-OE2 2.66Å; K89-E109 PolarHBondContact NZ-OE2 2.82Å; T103-E109 WeakPolarHBondContact CG2-OE2 3.3Å; L104-E109 WeakPolarHBondContact CD2-O 3.43Å; N107-E109 HydrophobicContact CB-CB 4.3Å; N107-E109 HydrophobicContact CB-CG 3.63Å; N107-E109 WeakPolarHBondContact CB-OE1 3.47Å; N107-E109 PolarHBondContact ND2-OE1 3.02Å; N107-E109 PolarHBondContact O-N 2.76Å
110G85.7Confident81Confident40 Ų4060.7 Ų60.741%0.41232%0.316SS..SBendtrans165.4178176.600000111.6A88 D108A88-G110 CarbonylContact O-C 3.51Å; A88-G110 WeakPolarHBondContact O-CA 3.26Å; D108-G110 PolarHBondContact O-N 3.03Å
111E91.5Very high81Confident81 Ų8164.2 Ų64.238%0.37934%0.336SS..EExtended strand (participates in β ladder)trans-86.3128.5169-169.2169.7166.500108.8V2 A88 F113V2-E111 HydrophobicContact CB-CB 4.44Å; A88-E111 PolarHBondContact N-O 2.85Å; A88-E111 PolarHBondContact O-N 3.47Å; E111-F113 HydrophobicContact CB-CE2 3.79Å; E111-F113 HydrophobicContact CB-CZ 4.13Å; E111-F113 HydrophobicContact CG-CE2 3.77Å; E111-F113 HydrophobicContact CG-CZ 3.72Å; E111-F113 WeakPolarHBondContact O-CD2 3.13Å; E111-F113 WeakPolarHBondContact O-CE2 3.44Å
112R91.8Very high80.7Confident125 Ų12570.9 Ų70.947%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-100.2121.5-177.1-172.7171.7-77.5-172.3-1.5110.4I86 L87 D108I86-R112 CarbonylContact O-C 3.46Å; I86-R112 WeakPolarHBondContact O-CA 3.38Å; L87-R112 HydrophobicContact CD1-CB 4.3Å; D108-R112 IonicContact OD1-NH2 3.89Å; D108-R112 PolarHBondContact OD1-NH2 3.28Å; D108-R112 IonicContact OD2-CZ 3.39Å; D108-R112 IonicContact OD2-NH2 3.52Å; D108-R112 PolarHBondContact OD2-NH2 2.86Å
113F92.7Very high79.9Confident35 Ų3569.6 Ų69.615%0.15436%0.363CS..EExtended strand (participates in β ladder)trans-104.5105.2178.5-60.1-95000108.6V2 L4 S85 I86 A88 E111 L115V2-F113 HydrophobicContact CG1-CE2 3.97Å; V2-F113 HydrophobicContact CG1-CZ 3.87Å; L4-F113 HydrophobicContact CB-CD1 4.5Å; L4-F113 HydrophobicContact CB-CD2 4.45Å; L4-F113 HydrophobicContact CB-CE1 4.03Å; L4-F113 HydrophobicContact CB-CE2 3.99Å; L4-F113 HydrophobicContact CB-CZ 3.77Å; L4-F113 HydrophobicContact CD2-CD2 3.87Å; L4-F113 HydrophobicContact CD2-CE2 4.11Å; L4-F113 HydrophobicContact CD2-CG 4.23Å; S85-F113 CarbonylContact C-O 3.59Å; S85-F113 VanDerWaalsContact CA-O 3.3Å; S85-F113 WeakPolarHBondContact CA-O 3.48Å; S85-F113 WeakPolarHBondContact CB-O 3.35Å; I86-F113 HydrophobicContact CB-CB 4.28Å; I86-F113 HydrophobicContact CD1-CB 4.37Å; I86-F113 PolarHBondContact N-O 2.84Å; I86-F113 PolarHBondContact O-N 2.85Å; A88-F113 HydrophobicContact CB-CD2 4.42Å; A88-F113 HydrophobicContact CB-CE2 4.06Å; E111-F113 HydrophobicContact CB-CE2 3.79Å; E111-F113 HydrophobicContact CB-CZ 4.13Å; E111-F113 HydrophobicContact CG-CE2 3.77Å; E111-F113 HydrophobicContact CG-CZ 3.72Å; E111-F113 WeakPolarHBondContact O-CD2 3.13Å; E111-F113 WeakPolarHBondContact O-CE2 3.44Å; F113-L115 PolarHBondContact O-N 3.34Å
114P92Very high79.1Confident97 Ų9773.2 Ų73.263%0.6339%0.385SS*.EExtended strand (participates in β ladder)trans-66.9133.8179.627.6-33.2000110.3
115L91.4Very high78.1Confident3 Ų382.5 Ų82.52%0.01642%0.42CS..EExtended strand (participates in β ladder)trans-102.9115.9174.4-177.268.6000109.4V6 V12 I26 I67 C84 F113 I117V6-L115 HydrophobicContact CG1-CD1 4.08Å; V12-L115 HydrophobicContact CG2-CD2 4.29Å; I26-L115 HydrophobicContact CD1-CD2 4.16Å; I26-L115 HydrophobicContact CG2-CD1 4.13Å; I26-L115 HydrophobicContact CG2-CD2 4.28Å; I67-L115 HydrophobicContact CD1-CD2 3.26Å; C84-L115 HydrophobicContact CB-CB 4.09Å; C84-L115 HydrophobicContact CB-CD2 4.08Å; C84-L115 PolarHBondContact O-N 2.8Å; F113-L115 PolarHBondContact O-N 3.34Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CG-CD1 4.04Å; L115-I117 PolarHBondContact O-N 2.89Å
116K89.6Confident77.1Confident129 Ų12989.7 Ų89.756%0.56144%0.443SS*.  trans-68.2124.9176.6-173.2173.4177.7-174.60109.6E10 G11 V12 T118E10-K116 WeakPolarHBondContact O-CD 3.39Å; G11-K116 CarbonylContact C-O 3.46Å; G11-K116 WeakPolarHBondContact CA-O 3.42Å; V12-K116 PolarHBondContact N-O 3.09Å; K116-T118 HydrophobicContact CG-CG2 4.24Å
117I88.5Confident75.6Confident6 Ų691.8 Ų91.83%0.03144%0.442CS..EExtended strand (participates in β ladder)trans-113.7123.5174-51.6-60.1000107.7V12 F14 F48 Y83 C84 L115 F119V12-I117 HydrophobicContact CG2-CD1 3.19Å; V12-I117 WeakPolarHBondContact O-CA 3.49Å; F14-I117 HydrophobicContact CD2-CG2 3.79Å; F14-I117 HydrophobicContact CE2-CD1 4.46Å; F14-I117 HydrophobicContact CE2-CG2 4.21Å; F48-I117 HydrophobicContact CE1-CG2 4.32Å; F48-I117 HydrophobicContact CZ-CG2 4.06Å; Y83-I117 HydrophobicContact CD2-CB 4.38Å; C84-I117 HydrophobicContact CB-CD1 4.06Å; C84-I117 HydrophobicContact CB-CG1 4.17Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CG-CD1 4.04Å; L115-I117 PolarHBondContact O-N 2.89Å; I117-F119 HydrophobicContact CG2-CE2 3.82Å; I117-F119 HydrophobicContact CG2-CZ 3.89Å
118T87.2Confident73.8Confident38 Ų3895.5 Ų95.523%0.23346%0.46CS..EExtended strand (participates in β ladder)trans-115.5145.4174.261.60000110.8V12 Q13 F14 K116V12-T118 PolarHBondContact O-N 2.75Å; Q13-T118 WeakPolarHBondContact CA-O 3.3Å; Q13-T118 VanDerWaalsContact CG-OG1 3.3Å; Q13-T118 WeakPolarHBondContact CG-OG1 3.38Å; F14-T118 PolarHBondContact N-O 3.09Å; K116-T118 HydrophobicContact CG-CG2 4.24Å
119F86.1Confident72Confident23 Ų2396.3 Ų96.310%0.10147%0.473CS..EExtended strand (participates in β ladder)trans-114.1126.1176.8-66.3-81.7000109.6F14 F48 F69 M77 Y83 I117F14-F119 HydrophobicContact CB-CD1 3.93Å; F14-F119 HydrophobicContact CB-CE1 3.89Å; F14-F119 CarbonylContact O-C 3.52Å; F14-F119 VanDerWaalsContact O-CA 3.26Å; F14-F119 WeakPolarHBondContact O-CA 3.4Å; F48-F119 AromaticContact CZ-CZ 3.89Å; F48-F119 HydrophobicContact CZ-CZ 3.89Å; F69-F119 HydrophobicContact CD1-CE1 4.12Å; F69-F119 HydrophobicContact CD2-CE1 4.1Å; F69-F119 HydrophobicContact CD2-CZ 4.37Å; F69-F119 HydrophobicContact CE1-CD1 4.25Å; F69-F119 AromaticContact CE1-CE1 3.63Å; F69-F119 HydrophobicContact CE1-CE1 3.63Å; F69-F119 AromaticContact CE2-CE1 3.64Å; F69-F119 HydrophobicContact CE2-CE1 3.64Å; F69-F119 AromaticContact CE2-CZ 3.9Å; F69-F119 HydrophobicContact CE2-CZ 3.9Å; F69-F119 HydrophobicContact CG-CE1 4.33Å; F69-F119 HydrophobicContact CZ-CD1 4.24Å; F69-F119 AromaticContact CZ-CE1 3.38Å; F69-F119 HydrophobicContact CZ-CE1 3.38Å; F69-F119 HydrophobicContact CZ-CZ 4.07Å; M77-F119 HydrophobicContact CB-CD1 3.92Å; M77-F119 HydrophobicContact CB-CD2 3.56Å; M77-F119 HydrophobicContact CB-CE1 3.87Å; M77-F119 HydrophobicContact CB-CE2 3.49Å; M77-F119 VanDerWaalsContact CB-CE2 3.49Å; M77-F119 HydrophobicContact CB-CG 3.76Å; M77-F119 HydrophobicContact CB-CZ 3.62Å; M77-F119 HydrophobicContact CE-CE2 4.2Å; M77-F119 HydrophobicContact CE-CZ 3.9Å; M77-F119 HydrophobicContact CG-CD1 4.5Å; M77-F119 HydrophobicContact CG-CE1 4.04Å; M77-F119 HydrophobicContact CG-CE2 4.15Å; M77-F119 HydrophobicContact CG-CZ 3.81Å; Y83-F119 AromaticContact CD2-CE2 3.93Å; Y83-F119 HydrophobicContact CD2-CE2 3.93Å; Y83-F119 HydrophobicContact CD2-CZ 4.5Å; Y83-F119 AromaticContact CE2-CE2 3.68Å; Y83-F119 HydrophobicContact CE2-CE2 3.68Å; Y83-F119 HydrophobicContact CE2-CZ 4.49Å; I117-F119 HydrophobicContact CG2-CE2 3.82Å; I117-F119 HydrophobicContact CG2-CZ 3.89Å
120V81Confident70.2Confident49 Ų4998.4 Ų98.430%0.29749%0.493SS..EExtended strand (participates in β ladder)trans-113.2127.2179.5-167.10000109.2F14 T15 N16 K122F14-V120 PolarHBondContact O-N 3.41Å; T15-V120 WeakPolarHBondContact CA-O 3.36Å; T15-V120 WeakPolarHBondContact CB-O 3.17Å; N16-V120 PolarHBondContact N-O 2.83Å; N16-V120 VanDerWaalsContact N-O 3.13Å; V120-K122 WeakPolarHBondContact CG1-O 3.42Å; V120-K122 PolarHBondContact O-N 3.11Å
121D71.4Confident67.9Low100 Ų100103.2 Ų103.254%0.53552%0.515SS..SBendtrans-72.5-14.9-177.2-83.1-3.4000113.4N16 K76N16-D121 WeakPolarHBondContact CB-OD1 3.25Å; N16-D121 PolarHBondContact ND2-OD1 3.38Å; K76-D121 IonicContact NZ-OD2 3.74Å
122K65.1Low65.6Low167 Ų167103.6 Ų103.673%0.72653%0.532SS*.SBendtrans-136.5125177.4-65.5-178.4-178.8179.70109.4V120 T124V120-K122 WeakPolarHBondContact CG1-O 3.42Å; V120-K122 PolarHBondContact O-N 3.11Å; K122-T124 PolarHBondContact O-N 3.09Å
123P56.4Low63.2Low69 Ų69103.1 Ų103.145%0.44855%0.547SS..  trans-61.9112.7167.525.3-30.7000107.9T15 W125T15-P123 HydrophobicContact CG2-CB 4.19Å; P123-W125 PolarHBondContact O-N 3.42Å
124T52.3Low60.9Low118 Ų118111.1 Ų111.172%0.72458%0.582SS**  trans-70.882.8166.3-2.80000106.7K122 R126K122-T124 PolarHBondContact O-N 3.09Å; T124-R126 PolarHBondContact O-N 3.27Å
125W48Very low58.8Low194 Ų194116.2 Ų116.274%0.73560%0.598SS**  trans-65.490.4165.5-63.7100.1000107P123 W127P123-W125 PolarHBondContact O-N 3.42Å; W125-W127 VanDerWaalsContact C-N 3.34Å; W125-W127 PolarHBondContact O-N 3.04Å; W125-W127 VanDerWaalsContact O-N 3.16Å
126R45.7Very low56.2Low232 Ų232124.3 Ų124.388%0.87564%0.635SS**  trans-75.396.8161.9-80.8-166.2179.3-171.61.5106.4T124 L128T124-R126 PolarHBondContact O-N 3.27Å; R126-L128 PolarHBondContact O-N 3.19Å
127W41.1Very low53.9Low164 Ų164126.7 Ų126.762%0.62165%0.648SS**  trans-59.3118.6174.5-61.179.3000108.9W125 S129 A197W125-W127 VanDerWaalsContact C-N 3.34Å; W125-W127 PolarHBondContact O-N 3.04Å; W125-W127 VanDerWaalsContact O-N 3.16Å; W127-S129 PolarHBondContact O-N 3.07Å; W127-S129 VanDerWaalsContact O-N 3.16Å; W127-A197 HydrophobicContact CH2-CB 3.35Å; W127-A197 HydrophobicContact CZ3-CB 3.46Å; W127-A197 VanDerWaalsContact CZ3-CB 3.46Å
128L38.8Very low51.6Low173 Ų173132.3 Ų132.391%0.90668%0.679SS**  trans-75.696.4166.3-70.8169.4000107R126R126-L128 PolarHBondContact O-N 3.19Å
129S38.3Very low49.4Very low101 Ų101135.8 Ų135.871%0.70670%0.704SS**  trans-67.8131.1175.6-58.60000110.2W127 T131W127-S129 PolarHBondContact O-N 3.07Å; W127-S129 VanDerWaalsContact O-N 3.16Å; S129-T131 PolarHBondContact O-N 2.71Å
130P39.1Very low47.6Very low123 Ų123139.8 Ų139.880%0.79974%0.735SS**  trans-72.9124.3173-9.324.8000110.3A132P130-A132 PolarHBondContact O-N 2.97Å; P130-A132 VanDerWaalsContact O-N 3.14Å
131T39Very low45.9Very low140 Ų140143.3 Ų143.386%0.85976%0.762SS**  trans-71103.7173.8-38.50000109.7S129S129-T131 PolarHBondContact O-N 2.71Å
132A42.2Very low44.5Very low90 Ų90147.3 Ų147.374%0.74478%0.777SS**  trans-119104.6167.900000109P130 K134P130-A132 PolarHBondContact O-N 2.97Å; P130-A132 VanDerWaalsContact O-N 3.14Å; A132-K134 PolarHBondContact O-N 2.84Å
133S40.4Very low43.4Very low114 Ų114145.3 Ų145.380%0.79779%0.785SS**  trans-62.3125.6175.8-41.10000111
134K45.7Very low42.6Very low203 Ų203150.7 Ų150.788%0.88381%0.806SS**  trans-134.5113.1161.4-91.5-170.2174.7-177.30109.7A132A132-K134 PolarHBondContact O-N 2.84Å
135E47.8Very low42.2Very low204 Ų204150.2 Ų150.295%0.95381%0.807SS**  trans-71.3143.8163.1-69.5-179.7155.800110.1
136Q37.8Very low42Very low173 Ų173145.5 Ų145.581%0.80880%0.804SS**  trans-109.2130.8-173.5167.9-176.1-600108.3
137E40.9Very low42.1Very low179 Ų179142.1 Ų142.184%0.83680%0.798SS**  trans-143.6115.8150.2-78.4-161.7143.900111.3
138N39.6Very low42.1Very low125 Ų125142.8 Ų142.867%0.66881%0.808SS**  trans42.2117.5135-57.6-22.4000119.6
139S41Very low41.8Very low110 Ų110139.8 Ų139.877%0.76980%0.801SS**  175.1123.7100.3-73.20000111.7
140S47.6Very low41.6Very low107 Ų107142.2 Ų142.275%0.74881%0.805SS**  trans23.2124.6144.460.10000120.1
141S45.9Very low41.9Very low123 Ų123141.9 Ų141.986%0.8681%0.806SS**  175150.7104.440.20000111.7
142E42.3Very low41.9Very low184 Ų184142.5 Ų142.586%0.8680%0.804SS**  trans-65.4148.4-169.1-56.9158.5121.400113.5
143S42.3Very low42.1Very low125 Ų125146.1 Ų146.187%0.87481%0.806SS**  173.3147.2119.639.10000112.5
144M39.7Very low41.9Very low183 Ų183146.2 Ų146.290%0.90180%0.804SS**  trans-83.5164.3-172.5-71.6-160.1153.900113.7
145S42.1Very low41.9Very low107 Ų107143.8 Ų143.875%0.74880%0.8SS**  trans112.4124.2139.377.60000116.7
146S45.1Very low41.7Very low95 Ų95141.9 Ų141.966%0.66480%0.795SS**  trans45.2142.5134.957.70000118.6
147E46.8Very low41.7Very low162 Ų162145 Ų14576%0.75780%0.799SS**  cis-176.81657.2-113.4168.4156.300104.3
148E41.9Very low42.1Very low178 Ų178143.1 Ų143.183%0.83280%0.795SS**  trans70.5101.2148.7-71.3178.5157.100121
149C31.8Very low42.5Very low110 Ų110142.5 Ų142.574%0.74381%0.808SS**  trans-55132151-1640000112.1
150N34.8Very low43Very low151 Ų151145.7 Ų145.781%0.80781%0.81SS**  trans150.7115.9131.2-77.5-28.5000110.6
151S44.2Very low42.6Very low117 Ų117144.4 Ų144.482%0.81881%0.814SS**  trans-150.4121.3144.971.40000110.3
152D39.3Very low42.8Very low153 Ų153144.4 Ų144.482%0.81881%0.808SS**  trans-44.3145.4169.1-59.9-66.3000114.3
153Q46.6Very low42.9Very low165 Ų165145.5 Ų145.577%0.77181%0.811SS**  trans-158.3120.3134.4-113.4-177.629.200111
154P37Very low42.6Very low116 Ų116148.3 Ų148.375%0.75381%0.807SS**  trans-87126.716332.9-25.3000108.4
155L45.7Very low42.6Very low153 Ų153146.5 Ų146.580%0.80180%0.802SS**  trans-117.5130.5169.5-78.1169.8000110.9
156L43.7Very low42.2Very low163 Ų163147.9 Ų147.985%0.85380%0.8SS**  trans-72.6157.1-161.8-69.6153.4000114.1
157R37Very low42.2Very low238 Ų238153.6 Ų153.690%0.89881%0.813SS**  trans-77.4141.5170.5-102.2-178.8171.5-177-1.9111.6
158N50.2Low41.8Very low141 Ų141153.2 Ų153.275%0.75481%0.811SS**  trans-118.6147.7161.3-45.513000108E160N158-E160 PolarHBondContact O-N 2.79Å
159A47.7Very low41.8Very low112 Ų112154.7 Ų154.793%0.92681%0.814SS**THydrogen-bonded Turntrans-71.916.2-163.900000117.4
160E51.6Low42.1Very low177 Ų177155.3 Ų155.383%0.82782%0.815SS**THydrogen-bonded Turntrans-133.34.6-171-68.1-179163.400116.2N158 V162N158-E160 PolarHBondContact O-N 2.79Å; E160-V162 PolarHBondContact O-N 2.82Å
161G39.3Very low42.4Very low80 Ų80153.3 Ų153.383%0.82582%0.819SS**  trans5719.2151.900000121.5
162V50.2Low42.3Very low123 Ų123152.3 Ų152.375%0.74582%0.818SS**  trans-110.4122.3174.7-179.20000111.1E160 F164E160-V162 PolarHBondContact O-N 2.82Å; V162-F164 HydrophobicContact CG1-CD2 4.27Å
163F44.8Very low42.1Very low207 Ų207149.9 Ų149.991%0.90882%0.82SS**  trans-105.1120.4169.2-93.3-88.7000111.1
164F35.9Very low41.9Very low183 Ų183147.3 Ų147.380%0.80383%0.826SS**  trans-127.9123152.1-89.6-84.2000107.9V162V162-F164 HydrophobicContact CG1-CD2 4.27Å
165N39.8Very low42.2Very low146 Ų146151.5 Ų151.578%0.78183%0.833SS**  trans-179116.9131.7-98.9-32000109.8
166L33.4Very low42Very low135 Ų135149.6 Ų149.671%0.70783%0.832SS**  85.997.668.9-156.9105000112.1
167K44.6Very low41.7Very low215 Ų215152.5 Ų152.594%0.93583%0.832SS**  trans-139.496.8139.6-86.1-165.6179.1174.40109.5
168E38.6Very low42Very low154 Ų154148.2 Ų148.272%0.7283%0.827SS**  trans-66.6137.8168-172.3178.5-153.100111
169K41.8Very low41.5Very low209 Ų209148.1 Ų148.191%0.90983%0.826SS**  trans-164.8108140.2-113.5177.8-179-177.70111.6
170T37.2Very low41.7Very low124 Ų124147.9 Ų147.976%0.76182%0.818SS**  trans-57.4148.9166.438.60000114.9
171A41.7Very low41.4Very low108 Ų108146.1 Ų146.189%0.89381%0.814SS**  178.1156.4113.200000113.7
172A41.1Very low41.5Very low96 Ų96150.8 Ų150.879%0.79381%0.814SS**  trans-88.9151-158.700000117.6
173A36.8Very low41.2Very low103 Ų103154.1 Ų154.185%0.85182%0.822SS**  49.1131.7129.200000123.3
174A41.7Very low40.9Very low110 Ų110153.5 Ų153.591%0.90982%0.824SS**  -169.5157.2128.300000112.6
175K42.9Very low41.7Very low204 Ų204152 Ų15289%0.88782%0.824SS**  trans-92.5172.6-159.9-72.7171.1170.1173.30116.4
176S41.9Very low41.6Very low113 Ų113150.7 Ų150.779%0.7982%0.823SS**  trans104.5109.3145.192.80000115.4
177R37.8Very low41.9Very low224 Ų224152.3 Ų152.385%0.84583%0.832SS**  76.2102.467.9-160.5-174.2-167.8172.94.6112.5
178N42.6Very low41.8Very low149 Ų149148.2 Ų148.280%0.79782%0.824SS**  -174151.9123.7-98.3-3.2000113.2
179D40.3Very low42Very low139 Ų139147.2 Ų147.274%0.74383%0.828SS**  trans-67.7157.7-169.5-66.5-62.9000116.6
180S51.1Low42.1Very low107 Ų107145.8 Ų145.875%0.74883%0.825SS**  123.6128.5121.868.20000118.1
181N45.4Very low42.3Very low139 Ų139148.9 Ų148.974%0.74383%0.831SS**  trans66.8107.2149.4-70.611.1000119
182E41.9Very low42.4Very low179 Ų179149.9 Ų149.984%0.83683%0.828SS**  74.792.491-84.6-158.9148.800112.7
183E44.3Very low42.3Very low192 Ų192151.2 Ų151.290%0.89783%0.832SS**  trans-158.7120.8138.5-124.6179.8156.400109.9
184M38.8Very low42.5Very low194 Ų194153.5 Ų153.596%0.95684%0.835SS**  trans-78123174.3-85.1-174.2162.300110
185L52.2Low42.7Very low153 Ų153153.5 Ų153.580%0.80183%0.829SS**  trans-124.9148.5161.7-73.9175.3000110.3
186P37.2Very low42.8Very low117 Ų117149.2 Ų149.276%0.7682%0.824SS**  trans-80.2133.3-166.131.8-32.7000112.2V188P186-V188 PolarHBondContact O-N 2.77Å
187L40.9Very low43.4Very low170 Ų170146.7 Ų146.789%0.8981%0.81SS**  trans-75.3112.9-179.9-84.8158.5000111.8
188V41.5Very low44.6Very low128 Ų128143.1 Ų143.178%0.77681%0.806SS**  trans-71.5130.7162.7176.90000108.5P186P186-V188 PolarHBondContact O-N 2.77Å
189V42.9Very low45.4Very low133 Ų133140.9 Ų140.981%0.80680%0.8SS**  trans-87.9106.2179.9178.20000108.8
190E43.7Very low46.5Very low179 Ų179137.9 Ų137.984%0.83679%0.788SS**  trans-104.4131.7163.3-73.2-160151.100110.4
191E42.2Very low47.5Very low190 Ų190136.4 Ų136.489%0.88877%0.774SS**  trans-75.9136.8-179.8-62.6-174.7145.900112
192P43.4Very low48.8Very low129 Ų129133.3 Ų133.384%0.83877%0.769SS**  trans-114.9149.5169.435.6-24.9000114.6
193S39.6Very low50.3Low124 Ų124128.2 Ų128.287%0.86775%0.753SS**  trans-73.1154.8-164.3-41.60000116.4
194T40.1Very low51.4Low150 Ų150122.9 Ų122.992%0.9273%0.73SS**  trans-64.4128.4-173.347.10000115.7
195S45.2Very low52.7Low111 Ų111114.8 Ų114.878%0.77669%0.692SS**  trans-113.9129.5161.1-174.50000110.3
196S45Very low53.7Low113 Ų113113.5 Ų113.579%0.7969%0.686SS**PPolyproline II helixtrans-79.3123.7-170.2177.70000112.1
197A55.5Low55.5Low60 Ų60113.1 Ų113.150%0.49668%0.677SS.*PPolyproline II helixtrans-102.4140.5159.700000111.5W127W127-A197 HydrophobicContact CH2-CB 3.35Å; W127-A197 HydrophobicContact CZ3-CB 3.46Å; W127-A197 VanDerWaalsContact CZ3-CB 3.46Å
198I61.9Low56.7Low150 Ų150107.6 Ų107.677%0.76966%0.656SS**PPolyproline II helixtrans-73.1130.3-168.5-57.5167.5000109.3
199P61.3Low58.1Low102 Ų102104.1 Ų104.166%0.66264%0.637SS**PPolyproline II helixtrans-64.1147.3175.126.2-33.1000111T201P199-T201 PolarHBondContact O-N 2.83Å
200P62.3Low59.6Low76 Ų76101 Ų10149%0.49462%0.621SS.*PPolyproline II helixtrans-56.5139.3176.223.2-32.4000110.6F20 D204F20-P200 HydrophobicContact CE1-CB 4.44Å; F20-P200 HydrophobicContact CE1-CG 3.9Å; F20-P200 HydrophobicContact CZ-CG 3.9Å; P200-D204 HydrophobicContact CB-CB 4.09Å
201T72.6Confident61.1Low75 Ų7596.8 Ų96.846%0.4660%0.603SS.*PPolyproline II helixtrans-79.7162.5-178.963.80000110.7P199 S203 D204 C205P199-T201 PolarHBondContact O-N 2.83Å; T201-S203 PolarHBondContact O-N 2.92Å; T201-S203 VanDerWaalsContact O-N 3.09Å; T201-D204 PolarHBondContact N-OD2 2.9Å; T201-D204 WeakPolarHBondContact O-CB 3.41Å; T201-D204 PolarHBondContact O-N 3.15Å; T201-D204 PolarHBondContact OG1-OD2 3.13Å; T201-C205 PolarHBondContact O-N 3.39Å
202A73.4Confident62.5Low75 Ų7590.3 Ų90.362%0.6257%0.571SS**Hα-helixtrans-56.2-26.817300000113D204 C205 L206A202-D204 VanDerWaalsContact C-N 3.35Å; A202-C205 WeakPolarHBondContact O-CB 3.36Å; A202-C205 PolarHBondContact O-N 2.82Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 2.88Å; A202-L206 VanDerWaalsContact O-N 3.09Å
203S71.9Confident64Low72 Ų7288.9 Ų88.950%0.50355%0.553SS.*Hα-helixtrans-64.8-39.3174.1-170.90000111.9T201 C205 L206 L207T201-S203 PolarHBondContact O-N 2.92Å; T201-S203 VanDerWaalsContact O-N 3.09Å; S203-C205 VanDerWaalsContact C-N 3.33Å; S203-L206 PolarHBondContact O-N 3.47Å; S203-L207 PolarHBondContact O-N 2.92Å; S203-L207 VanDerWaalsContact O-N 3.08Å
204D68.2Low65.6Low79 Ų7988.4 Ų88.442%0.42254%0.537SS..Hα-helixtrans-67.3-38.5178.4-55.5-43.7000110.4P200 T201 A202 L207 A208P200-D204 HydrophobicContact CB-CB 4.09Å; T201-D204 PolarHBondContact N-OD2 2.9Å; T201-D204 WeakPolarHBondContact O-CB 3.41Å; T201-D204 PolarHBondContact O-N 3.15Å; T201-D204 PolarHBondContact OG1-OD2 3.13Å; A202-D204 VanDerWaalsContact C-N 3.35Å; D204-L207 PolarHBondContact O-N 3.17Å; D204-A208 PolarHBondContact O-N 2.88Å; D204-A208 VanDerWaalsContact O-N 3.11Å
205C66.8Low67.1Low24 Ų2485.4 Ų85.416%0.16251%0.513CS..Hα-helixtrans-60.8-47.6174.1-55.60000111.9F20 T201 A202 S203 L207 A208 S209F20-C205 WeakPolarHBondContact CE1-SG 3.3Å; T201-C205 PolarHBondContact O-N 3.39Å; A202-C205 WeakPolarHBondContact O-CB 3.36Å; A202-C205 PolarHBondContact O-N 2.82Å; S203-C205 VanDerWaalsContact C-N 3.33Å; C205-L207 VanDerWaalsContact C-N 3.34Å; C205-L207 PolarHBondContact O-N 3.43Å; C205-A208 PolarHBondContact O-N 2.84Å; C205-S209 PolarHBondContact O-N 2.77Å; C205-S209 PolarHBondContact O-OG 3.46Å
206L72Confident68.1Low126 Ų12682.8 Ų82.866%0.6649%0.49SS*.Hα-helixtrans-65-37.7-179-70.7173.7000112.2A202 S203 S209 S210A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 2.88Å; A202-L206 VanDerWaalsContact O-N 3.09Å; S203-L206 PolarHBondContact O-N 3.47Å; L206-S209 PolarHBondContact O-N 2.89Å; L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 3.09Å
207L74.3Confident69.3Low110 Ų11085 Ų8558%0.57648%0.48SS*.Hα-helixtrans-63.3-45.2175.7-172.468.6000111.2S203 D204 C205 S209 S210 I211S203-L207 PolarHBondContact O-N 2.92Å; S203-L207 VanDerWaalsContact O-N 3.08Å; D204-L207 PolarHBondContact O-N 3.17Å; C205-L207 VanDerWaalsContact C-N 3.34Å; C205-L207 PolarHBondContact O-N 3.43Å; L207-S209 PolarHBondContact O-N 3.01Å; L207-S210 PolarHBondContact O-N 3.21Å; L207-I211 HydrophobicContact CG-CD1 4.23Å; L207-I211 WeakPolarHBondContact O-CG1 3.26Å; L207-I211 PolarHBondContact O-N 3.25Å
208A67.7Low69.8Low54 Ų5488.9 Ų88.945%0.44649%0.486SS..Hα-helixtrans-61.3-42.6176.800000112.1D204 C205 I211 Y212D204-A208 PolarHBondContact O-N 2.88Å; D204-A208 VanDerWaalsContact O-N 3.11Å; C205-A208 PolarHBondContact O-N 2.84Å; A208-I211 PolarHBondContact O-N 2.76Å; A208-Y212 PolarHBondContact O-N 3.03Å; A208-Y212 VanDerWaalsContact O-N 3.12Å
209S69.3Low69.5Low54 Ų5486.5 Ų86.538%0.37847%0.468SS..Hα-helixtrans-63-40.5174.7-64.30000112.8C205 L206 L207 Y212 E213C205-S209 PolarHBondContact O-N 2.77Å; C205-S209 PolarHBondContact O-OG 3.46Å; L206-S209 PolarHBondContact O-N 2.89Å; L207-S209 PolarHBondContact O-N 3.01Å; S209-Y212 WeakPolarHBondContact O-CB 3.32Å; S209-Y212 PolarHBondContact O-N 3.47Å; S209-E213 PolarHBondContact O-N 3.02Å
210S74.6Confident69.3Low67 Ų6789.5 Ų89.547%0.46947%0.472SS..Hα-helixtrans-64.2-43.5178.4-174.90000112.3L206 L207 Y212 E213 Q214L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 3.09Å; L207-S210 PolarHBondContact O-N 3.21Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.15Å; S210-E213 PolarHBondContact O-N 3.48Å; S210-Q214 WeakPolarHBondContact O-CB 3.43Å; S210-Q214 PolarHBondContact O-N 3.28Å
211I75.7Confident68.6Low92 Ų9296.8 Ų96.847%0.47249%0.49SS..Hα-helixtrans-60.1-44.1175.7-67.2166.6000110.3L207 A208 Q214 E215L207-I211 HydrophobicContact CG-CD1 4.23Å; L207-I211 WeakPolarHBondContact O-CG1 3.26Å; L207-I211 PolarHBondContact O-N 3.25Å; A208-I211 PolarHBondContact O-N 2.76Å; I211-Q214 PolarHBondContact O-N 2.84Å; I211-E215 PolarHBondContact O-N 3.15Å
212Y72Confident67.3Low53 Ų5397.5 Ų97.521%0.20849%0.494CS..Hα-helixtrans-60.2-48.4177.9175.5-109.6000112.9F21 A208 S209 S210 Q214 E215 I216F21-Y212 HydrophobicContact CD1-CD2 4.14Å; F21-Y212 HydrophobicContact CD1-CG 4.46Å; F21-Y212 HydrophobicContact CD2-CD2 4.45Å; F21-Y212 HydrophobicContact CD2-CE1 4.27Å; F21-Y212 HydrophobicContact CD2-CE2 4.26Å; F21-Y212 AromaticContact CE1-CD2 3.52Å; F21-Y212 HydrophobicContact CE1-CD2 3.52Å; F21-Y212 AromaticContact CE1-CE2 3.65Å; F21-Y212 HydrophobicContact CE1-CE2 3.65Å; F21-Y212 HydrophobicContact CE1-CG 4.26Å; F21-Y212 HydrophobicContact CE2-CD1 4.43Å; F21-Y212 AromaticContact CE2-CD2 3.91Å; F21-Y212 HydrophobicContact CE2-CD2 3.91Å; F21-Y212 AromaticContact CE2-CE1 3.92Å; F21-Y212 HydrophobicContact CE2-CE1 3.92Å; F21-Y212 AromaticContact CE2-CE2 3.37Å; F21-Y212 HydrophobicContact CE2-CE2 3.37Å; F21-Y212 HydrophobicContact CE2-CG 4.39Å; F21-Y212 AromaticContact CE2-CZ 3.31Å; F21-Y212 AromaticContact CZ-CD2 3.38Å; F21-Y212 HydrophobicContact CZ-CD2 3.38Å; F21-Y212 HydrophobicContact CZ-CE1 4.35Å; F21-Y212 AromaticContact CZ-CE2 2.97Å; F21-Y212 HydrophobicContact CZ-CE2 2.97Å; F21-Y212 HydrophobicContact CZ-CG 4.21Å; F21-Y212 AromaticContact CZ-CZ 3.49Å; F21-Y212 VanDerWaalsContact CZ-CZ 3.49Å; A208-Y212 PolarHBondContact O-N 3.03Å; A208-Y212 VanDerWaalsContact O-N 3.12Å; S209-Y212 WeakPolarHBondContact O-CB 3.32Å; S209-Y212 PolarHBondContact O-N 3.47Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.15Å; Y212-Q214 VanDerWaalsContact C-N 3.29Å; Y212-Q214 PolarHBondContact O-N 3.23Å; Y212-E215 PolarHBondContact O-N 3.16Å; Y212-I216 HydrophobicContact CD1-CD1 3.99Å; Y212-I216 HydrophobicContact CD2-CD1 4.37Å; Y212-I216 HydrophobicContact CE1-CD1 3.36Å; Y212-I216 HydrophobicContact CE1-CG1 4.48Å; Y212-I216 HydrophobicContact CE2-CD1 3.76Å; Y212-I216 HydrophobicContact CE2-CG1 4.21Å; Y212-I216 HydrophobicContact CG-CD1 4.49Å; Y212-I216 PolarHBondContact O-N 2.82Å; Y212-I216 WeakPolarHBondContact OH-CD1 3.49Å
213E75.2Confident66.1Low99 Ų99100.3 Ų100.346%0.46350%0.504SS..Hα-helixtrans-60.3-40.1176.2-74.4-171.5-175.400112.3S209 S210 E215 I216 R217S209-E213 PolarHBondContact O-N 3.02Å; S210-E213 PolarHBondContact O-N 3.48Å; E213-E215 VanDerWaalsContact C-N 3.3Å; E213-E215 PolarHBondContact O-N 3.32Å; E213-I216 PolarHBondContact O-N 3.45Å; E213-R217 WeakPolarHBondContact O-CG 3.39Å; E213-R217 PolarHBondContact O-N 2.91Å; E213-R217 IonicContact OE2-CZ 3.86Å; E213-R217 IonicContact OE2-NH2 2.92Å; E213-R217 PolarHBondContact OE2-NH2 2.76Å
214Q73.7Confident64.9Low114 Ų114100 Ų10053%0.53350%0.5SS..Hα-helixtrans-66-36.1179.8-151.1-179.62200111.5S210 I211 Y212 K218S210-Q214 WeakPolarHBondContact O-CB 3.43Å; S210-Q214 PolarHBondContact O-N 3.28Å; I211-Q214 PolarHBondContact O-N 2.84Å; Y212-Q214 VanDerWaalsContact C-N 3.29Å; Y212-Q214 PolarHBondContact O-N 3.23Å; Q214-K218 WeakPolarHBondContact O-CG 3.27Å; Q214-K218 PolarHBondContact O-N 3.06Å
215E69.7Low63.9Low88 Ų88102.5 Ų102.541%0.41151%0.514SS..Hα-helixtrans-70-40.8176.4-159175.3163.100112I211 Y212 E213 K218 R219I211-E215 PolarHBondContact O-N 3.15Å; Y212-E215 PolarHBondContact O-N 3.16Å; E213-E215 VanDerWaalsContact C-N 3.3Å; E213-E215 PolarHBondContact O-N 3.32Å; E215-K218 PolarHBondContact O-N 2.94Å; E215-R219 WeakPolarHBondContact O-CG 3.37Å; E215-R219 PolarHBondContact O-N 2.89Å; E215-R219 IonicContact OE1-CZ 3.77Å; E215-R219 IonicContact OE1-NH2 2.74Å; E215-R219 PolarHBondContact OE1-NH2 3.47Å
216I67.7Low63.2Low56 Ų56107.4 Ų107.429%0.28753%0.529SS..Hα-helixtrans-60.8-47.5172.9-72.3177000111.2Y212 E213 K218 R219 H220Y212-I216 HydrophobicContact CD1-CD1 3.99Å; Y212-I216 HydrophobicContact CD2-CD1 4.37Å; Y212-I216 HydrophobicContact CE1-CD1 3.36Å; Y212-I216 HydrophobicContact CE1-CG1 4.48Å; Y212-I216 HydrophobicContact CE2-CD1 3.76Å; Y212-I216 HydrophobicContact CE2-CG1 4.21Å; Y212-I216 HydrophobicContact CG-CD1 4.49Å; Y212-I216 PolarHBondContact O-N 2.82Å; Y212-I216 WeakPolarHBondContact OH-CD1 3.49Å; E213-I216 PolarHBondContact O-N 3.45Å; I216-K218 VanDerWaalsContact C-N 3.26Å; I216-K218 PolarHBondContact O-N 2.92Å; I216-R219 PolarHBondContact O-N 2.82Å; I216-H220 PolarHBondContact O-CD2 2.96Å; I216-H220 PolarHBondContact O-N 3.27Å; I216-H220 VanDerWaalsContact O-N 3.16Å
217R69.6Low61.9Low159 Ų159109.2 Ų109.260%0.653%0.528SS*.Hα-helixtrans-60-36179.6-74.6-176.1-164.9129.815.8112.4E213 R219E213-R217 WeakPolarHBondContact O-CG 3.39Å; E213-R217 PolarHBondContact O-N 2.91Å; E213-R217 IonicContact OE2-CZ 3.86Å; E213-R217 IonicContact OE2-NH2 2.92Å; E213-R217 PolarHBondContact OE2-NH2 2.76Å; R217-R219 VanDerWaalsContact C-N 3.33Å
218K67Low60.5Low141 Ų141109 Ų10961%0.61353%0.531SS*.Hα-helixtrans-63.2-40.5174.4-75.9177.7-179.8178.90111.4Q214 E215 I216 R221 T222Q214-K218 WeakPolarHBondContact O-CG 3.27Å; Q214-K218 PolarHBondContact O-N 3.06Å; E215-K218 PolarHBondContact O-N 2.94Å; I216-K218 VanDerWaalsContact C-N 3.26Å; I216-K218 PolarHBondContact O-N 2.92Å; K218-R221 PolarHBondContact O-N 2.77Å; K218-T222 PolarHBondContact O-OG1 2.95Å; K218-T222 VanDerWaalsContact O-OG1 3.1Å
219R54.9Low59.1Low101 Ų101109.8 Ų109.838%0.38154%0.544SS..Hα-helixtrans-70.1-35.5-177.5-69-178.3-170.5176.78.5114E215 I216 R217 R221 T222E215-R219 WeakPolarHBondContact O-CG 3.37Å; E215-R219 PolarHBondContact O-N 2.89Å; E215-R219 IonicContact OE1-CZ 3.77Å; E215-R219 IonicContact OE1-NH2 2.74Å; E215-R219 PolarHBondContact OE1-NH2 3.47Å; I216-R219 PolarHBondContact O-N 2.82Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R219-R221 PolarHBondContact O-N 2.6Å; R219-R221 VanDerWaalsContact O-N 3.14Å; R219-T222 PolarHBondContact O-N 3.26Å
220H56.7Low57.5Low164 Ų164110.1 Ų110.176%0.75956%0.556SS**THydrogen-bonded Turntrans-64.6-15.6175.1-75.1-70.7000113.8I216I216-H220 PolarHBondContact O-CD2 2.96Å; I216-H220 PolarHBondContact O-N 3.27Å; I216-H220 VanDerWaalsContact O-N 3.16Å
221R48.7Very low55.9Low230 Ų230114.8 Ų114.887%0.86858%0.575SS**THydrogen-bonded Turntrans-103.2-6179.2-72.4-172176.6-175.3-0.9114.7K218 R219K218-R221 PolarHBondContact O-N 2.77Å; R219-R221 PolarHBondContact O-N 2.6Å; R219-R221 VanDerWaalsContact O-N 3.14Å
222T43.6Very low54.1Low89 Ų89119.9 Ų119.955%0.54659%0.594SS.*SBendtrans-129.5118.8-177.548.50000110.2K218 R219K218-T222 PolarHBondContact O-OG1 2.95Å; K218-T222 VanDerWaalsContact O-OG1 3.1Å; R219-T222 PolarHBondContact O-N 3.26Å
223T48.8Very low52.6Low135 Ų135122.4 Ų122.483%0.82862%0.617SS**  trans-50.2133.5161.318.70000108.6D225T223-D225 PolarHBondContact O-N 3.34Å; T223-D225 VanDerWaalsContact O-N 3.16Å
224P46.9Very low51Low64 Ų64124.2 Ų124.242%0.41664%0.635SS.*  trans-63.4121.6-173.9-19.229.7000111.7W226 Y227P224-W226 VanDerWaalsContact CB-CD1 3.41Å; P224-W226 HydrophobicContact CB-CD2 4.11Å; P224-W226 VanDerWaalsContact CB-CE2 3.43Å; P224-W226 HydrophobicContact CB-CG 4.1Å; P224-W226 HydrophobicContact CB-CZ2 3.97Å; P224-W226 HydrophobicContact CG-CZ2 4.1Å; P224-W226 PolarHBondContact O-N 2.97Å; P224-Y227 PolarHBondContact O-N 3.43Å
225D46.3Very low49.4Very low133 Ų133123.8 Ų123.871%0.71164%0.64SS**G310 helixtrans-63.9-4.3-175.3-154.17.5000114.1T223 Y227 T228 G229T223-D225 PolarHBondContact O-N 3.34Å; T223-D225 VanDerWaalsContact O-N 3.16Å; D225-Y227 PolarHBondContact O-N 2.87Å; D225-T228 PolarHBondContact O-N 3.27Å; D225-T228 PolarHBondContact O-OG1 2.92Å; D225-T228 VanDerWaalsContact O-OG1 3.1Å; D225-T228 PolarHBondContact OD1-OG1 2.66Å; D225-G229 PolarHBondContact O-N 2.89Å
226W53.5Low48Very low126 Ų126127.9 Ų127.948%0.47766%0.659SS.*G310 helixtrans-74.5-8.3170.454.3-100.7000113.5P224 T228P224-W226 VanDerWaalsContact CB-CD1 3.41Å; P224-W226 HydrophobicContact CB-CD2 4.11Å; P224-W226 VanDerWaalsContact CB-CE2 3.43Å; P224-W226 HydrophobicContact CB-CG 4.1Å; P224-W226 HydrophobicContact CB-CZ2 3.97Å; P224-W226 HydrophobicContact CG-CZ2 4.1Å; P224-W226 PolarHBondContact O-N 2.97Å; W226-T228 VanDerWaalsContact C-N 3.27Å
227Y44.6Very low46.6Very low164 Ų164133.1 Ų133.164%0.64368%0.684SS**G310 helixtrans-72.3-22.1169-126.5-92.2000112.8P224 D225P224-Y227 PolarHBondContact O-N 3.43Å; D225-Y227 PolarHBondContact O-N 2.87Å
228T44.6Very low45.3Very low106 Ų106132.6 Ų132.665%0.6569%0.693SS**THydrogen-bonded Turntrans-111.7-5-17627.90000113.3D225 W226 G230D225-T228 PolarHBondContact O-N 3.27Å; D225-T228 PolarHBondContact O-OG1 2.92Å; D225-T228 VanDerWaalsContact O-OG1 3.1Å; D225-T228 PolarHBondContact OD1-OG1 2.66Å; W226-T228 VanDerWaalsContact C-N 3.27Å; T228-G230 VanDerWaalsContact C-N 3.35Å; T228-G230 PolarHBondContact O-N 2.92Å
229G37.9Very low44Very low70 Ų70134.8 Ų134.872%0.72271%0.706SS**SBendtrans-76.573.6178.100000113.9D225D225-G229 PolarHBondContact O-N 2.89Å
230G36.5Very low43.3Very low61 Ų61138.3 Ų138.363%0.62973%0.727SS**SBendtrans13298.516200000114.5T228T228-G230 VanDerWaalsContact C-N 3.35Å; T228-G230 PolarHBondContact O-N 2.92Å
231L39.5Very low42.6Very low165 Ų165138 Ų13886%0.86473%0.729SS**  trans84.189.3168.4-50.5165.6000115.6P233L231-P233 WeakPolarHBondContact O-CD 3.42Å
232K39.6Very low42.4Very low199 Ų199134 Ų13487%0.86572%0.724SS**  trans-61.2120136.7-85.5-177176.2178.60106T234K232-T234 PolarHBondContact O-N 3Å
233P40Very low42Very low107 Ų107137.7 Ų137.770%0.69574%0.74SS**  trans-67.8108.5167-5.621.7000106.8L231 V235L231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-V235 VanDerWaalsContact C-N 3.26Å; P233-V235 HydrophobicContact CB-CG2 4.22Å; P233-V235 PolarHBondContact O-N 3.47Å
234T41.2Very low41.9Very low136 Ų136136.5 Ų136.583%0.83474%0.738SS**  trans-64.697.5153.5280000106K232 E236K232-T234 PolarHBondContact O-N 3Å; T234-E236 PolarHBondContact O-N 3.31Å
235V41.1Very low41.6Very low106 Ų106138.8 Ų138.864%0.64276%0.755SS**  trans-76.596.5170.8-179.30000106.5P233 M237P233-V235 VanDerWaalsContact C-N 3.26Å; P233-V235 HydrophobicContact CB-CG2 4.22Å; P233-V235 PolarHBondContact O-N 3.47Å; V235-M237 HydrophobicContact CG1-CG 3.65Å; V235-M237 PolarHBondContact O-N 2.82Å
236E40.2Very low41.4Very low174 Ų174140.1 Ų140.181%0.81376%0.762SS**  trans-76105.3152.1-74-177.3163.400105.7T234 D238T234-E236 PolarHBondContact O-N 3.31Å; E236-D238 PolarHBondContact O-N 3.08Å
237M37.7Very low41Very low165 Ų165141.4 Ų141.481%0.81378%0.779SS**  trans-76.796.8168.3-77.9-158.8-178.200107.5V235 E239V235-M237 HydrophobicContact CG1-CG 3.65Å; V235-M237 PolarHBondContact O-N 2.82Å; M237-E239 PolarHBondContact O-N 3.49Å
238D42.2Very low40.8Very low148 Ų148144.9 Ų144.979%0.79179%0.79SS**  trans-80.8110.5158.1-76.8-27.7000108E236 E240E236-D238 PolarHBondContact O-N 3.08Å; D238-E240 VanDerWaalsContact C-N 3.29Å; D238-E240 PolarHBondContact O-N 2.7Å
239E38.9Very low40.9Very low187 Ų187145 Ų14587%0.87480%0.795SS**  trans-64.581.6174.1-68.9-172.6157.700110.5M237M237-E239 PolarHBondContact O-N 3.49Å
240E40.8Very low41.2Very low176 Ų176151.2 Ų151.282%0.82281%0.806SS**  trans-163.798.8161-113.3174.4-15600107.6D238D238-E240 VanDerWaalsContact C-N 3.29Å; D238-E240 PolarHBondContact O-N 2.7Å
241I42.3Very low41.7Very low158 Ų158157.4 Ų157.481%0.8182%0.819SS**SBendtrans178.499.9139.4-88.1151.9000109
242L43.3Very low41.9Very low144 Ų144158.8 Ų158.875%0.75482%0.817SS**  trans71.387134.8-58.3174000118.5S244L242-S244 PolarHBondContact O-N 3.33Å
243N36.6Very low42Very low167 Ų167153.3 Ų153.389%0.89381%0.809SS**  -12.9107.1119-83.2-23.5000113.8
244S45.3Very low42.2Very low110 Ų110157.3 Ų157.377%0.76982%0.816SS**  trans-146.2101.4144.134.60000108.8L242L242-S244 PolarHBondContact O-N 3.33Å
245S42.6Very low42.4Very low112 Ų112157.6 Ų157.678%0.78381%0.812SS**  trans-49.8129.8166.8490000112.3
246N41.5Very low42.7Very low162 Ų162161 Ų16187%0.86682%0.821SS**  trans-155.9122.2130.4-124.5-7.9000112.2
247N45.3Very low42.6Very low153 Ų153157.8 Ų157.882%0.81883%0.825SS**  trans-68.1136.9175-67.5-44.5000110.9
248R40.3Very low42.7Very low236 Ų236153.6 Ų153.689%0.89181%0.812SS**  178.8126.9113.6-109.6178.1169.3168.6-3.3113.4
249S47.1Very low42.9Very low108 Ų108158.4 Ų158.476%0.75582%0.819SS**  trans77.2102.6139.5-55.70000118.7
250Q43.2Very low43.2Very low201 Ų201155.9 Ų155.994%0.93981%0.81SS**  trans-50.5139.1155.7-64.5169.8-61.400112
251E46.5Very low43.3Very low192 Ų192156.8 Ų156.890%0.89781%0.814SS**  trans-143.5143.2139.2-152.6164.2-168.100111.4
252K43.5Very low43.2Very low193 Ų193152.4 Ų152.484%0.83981%0.808SS**  trans-57.7135.7-170.2-74.2160.7172.1173.60112.8
253A42.9Very low43.2Very low84 Ų84155 Ų15569%0.69482%0.816SS**  77.7128.47800000115.2
254K43.5Very low43.8Very low192 Ų192156.6 Ų156.684%0.83581%0.811SS**  trans84.4116.6158-56.7-178.1177.2-173.30117.9
255D45.2Very low43.7Very low141 Ų141158.2 Ų158.275%0.75481%0.811SS**  179.7105.5118.2-88.1-10.1000108.1
256E48.7Very low44.1Very low177 Ų177161.1 Ų161.183%0.82781%0.81SS**  85.192.297.6-78-16817500112.6
257A37Very low44.8Very low108 Ų108159.1 Ų159.189%0.89380%0.804SS**  trans-79.1111.9155.700000108.3
258S41.1Very low44.6Very low77 Ų77159.5 Ų159.554%0.53881%0.806SS.*  trans-164.397.4164.9178.20000111.4
259W46.3Very low45.4Very low249 Ų249157.3 Ų157.394%0.94381%0.805SS**  trans-142.681.8154.6-64.696.3000105.3
260I44.9Very low45.3Very low134 Ų134163.6 Ų163.669%0.68783%0.831SS**  63.4105.298.3-63.4174.7000111.7
261E41.5Very low45.4Very low195 Ų195161.8 Ų161.891%0.91183%0.825SS**  trans-54.6128.3159.5-68.9169.8148.800109.9
262G40.8Very low45.4Very low66 Ų66160.2 Ų160.268%0.6882%0.822SS**  trans-125102.6167.300000108.6Y264G262-Y264 PolarHBondContact O-N 3.17Å
263E43.9Very low45.5Very low198 Ų198158.3 Ų158.393%0.92582%0.821SS**  trans-57.1127.2164.2-68.9176.9149.700109.1
264Y49.2Very low45.6Very low201 Ų201162.7 Ų162.779%0.78883%0.828SS**  trans-115.4102.5163.8-103.1-79.8000108.1G262 F266G262-Y264 PolarHBondContact O-N 3.17Å; Y264-F266 AromaticContact CD1-CD2 3.8Å; Y264-F266 HydrophobicContact CD1-CD2 3.8Å; Y264-F266 AromaticContact CD1-CE2 3.28Å; Y264-F266 HydrophobicContact CD1-CE2 3.28Å; Y264-F266 HydrophobicContact CD1-CZ 4.13Å; Y264-F266 AromaticContact CE1-CE2 3.62Å; Y264-F266 HydrophobicContact CE1-CE2 3.62Å; Y264-F266 HydrophobicContact CE1-CZ 4.08Å; Y264-F266 HydrophobicContact CG-CE2 4.33Å
265D42.8Very low45.8Very low143 Ų143160.9 Ų160.977%0.76583%0.828SS**  trans-87.7114.4167.4-1441.8000106.8
266F51.9Low45.8Very low174 Ų174162.2 Ų162.276%0.76383%0.833SS**  trans-119.395.8166.7-88.3-76.7000107.5Y264Y264-F266 AromaticContact CD1-CD2 3.8Å; Y264-F266 HydrophobicContact CD1-CD2 3.8Å; Y264-F266 AromaticContact CD1-CE2 3.28Å; Y264-F266 HydrophobicContact CD1-CE2 3.28Å; Y264-F266 HydrophobicContact CD1-CZ 4.13Å; Y264-F266 AromaticContact CE1-CE2 3.62Å; Y264-F266 HydrophobicContact CE1-CE2 3.62Å; Y264-F266 HydrophobicContact CE1-CZ 4.08Å; Y264-F266 HydrophobicContact CG-CE2 4.33Å
267T54.9Low45.6Very low120 Ų120161.1 Ų161.174%0.73683%0.833SS**  trans-70.4126.2163.346.90000109.7
268D41.3Very low46.3Very low160 Ų160165.2 Ų165.286%0.85683%0.828SS**  trans-62.7134.2162.3-76-43.7000110.4
269E57.4Low46.7Very low190 Ų190172.6 Ų172.689%0.88885%0.853SS**  trans-177.193.2147.9-106.2177.9-166.300111.2
270N45.6Very low46.7Very low241 Ų241165.6 Ų165.6100%1.28984%0.844SS**  trans158.20133.5-99.2-11.2000112.8

Retrieved 270 of 270 residues in 251.6 ms (Link to these results)

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