A0A5K4EZM3_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A5K4EZM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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
1M34.9Very low60.1Low223 Ų22398.6 Ų98.6100%1.09950%0.502SS*.  0116.10-174.9170.2171.600105.4K3M1-K3 PolarHBondContact O-N 3.48Å; M1-K3 VanDerWaalsContact O-N 3.16Å
2F46.2Very low61.8Low128 Ų12896.2 Ų96.256%0.56150%0.499SS*.  trans-71107.8178.2-95.4-91.5000107.6
3K50.1Low63.7Low128 Ų12898.3 Ų98.356%0.55750%0.502SS*.  trans-80.4115.1171.8-80.4-178.1171.8-177.40107M1 N5M1-K3 PolarHBondContact O-N 3.48Å; M1-K3 VanDerWaalsContact O-N 3.16Å; K3-N5 VanDerWaalsContact C-N 3.31Å
4F51.9Low65.2Low24 Ų24100.9 Ų100.911%0.10550%0.503CS..  trans-95.77.4176-151.5-105.6000112F9 E11 I115 A117 F128F4-F9 HydrophobicContact CD2-CB 4.22Å; F4-F9 AromaticContact CD2-CD2 4Å; F4-F9 HydrophobicContact CD2-CD2 4Å; F4-F9 HydrophobicContact CD2-CG 4.25Å; F4-F9 HydrophobicContact CE2-CB 3.87Å; F4-F9 HydrophobicContact CE2-CD2 4.07Å; F4-F9 AromaticContact CE2-CG 3.9Å; F4-F9 HydrophobicContact CE2-CG 3.9Å; F4-F9 HydrophobicContact CZ-CB 4.09Å; F4-E11 HydrophobicContact CD1-CG 4.23Å; F4-E11 WeakPolarHBondContact CD1-OE1 3.47Å; F4-E11 HydrophobicContact CE1-CG 3.53Å; F4-E11 WeakPolarHBondContact CE1-OE1 3.44Å; F4-E11 HydrophobicContact CZ-CG 4.5Å; F4-I115 HydrophobicContact CE1-CG2 3.99Å; F4-I115 HydrophobicContact CZ-CG2 4.1Å; F4-A117 HydrophobicContact CE1-CB 4.03Å; F4-A117 HydrophobicContact CE2-CB 4.24Å; F4-A117 HydrophobicContact CZ-CB 3.37Å; F4-F128 HydrophobicContact CD2-CD1 4.29Å; F4-F128 HydrophobicContact CD2-CE1 4.19Å; F4-F128 HydrophobicContact CD2-CZ 4.35Å; F4-F128 HydrophobicContact CE2-CB 4.44Å; F4-F128 AromaticContact CE2-CD1 3.68Å; F4-F128 HydrophobicContact CE2-CD1 3.68Å; F4-F128 AromaticContact CE2-CD2 3.42Å; F4-F128 HydrophobicContact CE2-CD2 3.42Å; F4-F128 VanDerWaalsContact CE2-CD2 3.42Å; F4-F128 AromaticContact CE2-CE1 3.64Å; F4-F128 HydrophobicContact CE2-CE1 3.64Å; F4-F128 AromaticContact CE2-CE2 3.38Å; F4-F128 HydrophobicContact CE2-CE2 3.38Å; F4-F128 AromaticContact CE2-CG 3.58Å; F4-F128 HydrophobicContact CE2-CG 3.58Å; F4-F128 AromaticContact CE2-CZ 3.5Å; F4-F128 HydrophobicContact CE2-CZ 3.5Å; F4-F128 HydrophobicContact CZ-CB 4.42Å; F4-F128 HydrophobicContact CZ-CD1 4.43Å; F4-F128 AromaticContact CZ-CD2 3.53Å; F4-F128 HydrophobicContact CZ-CD2 3.53Å; F4-F128 AromaticContact CZ-CE2 3.81Å; F4-F128 HydrophobicContact CZ-CE2 3.81Å; F4-F128 AromaticContact CZ-CG 3.88Å; F4-F128 HydrophobicContact CZ-CG 3.88Å; F4-F128 HydrophobicContact CZ-CZ 4.37Å
5N51.9Low66.6Low115 Ų11595.9 Ų95.962%0.61548%0.478SS*.SBendtrans-62.9144.9176.1-67.24.6000108.1K3 E7 F8K3-N5 VanDerWaalsContact C-N 3.31Å; N5-E7 PolarHBondContact O-N 2.89Å; N5-F8 PolarHBondContact O-N 3.06Å
6G55.9Low67.9Low58 Ų5894.6 Ų94.660%0.59848%0.478SS*.THydrogen-bonded Turntrans-52.92-167.600000118.1F8 N120G6-F8 VanDerWaalsContact C-N 3.34Å; G6-N120 PolarHBondContact O-ND2 3.19Å
7E64.4Low68.9Low132 Ų13289 Ų8962%0.61745%0.45SS*.THydrogen-bonded Turntrans-57.5-43.8166.3-67.7176.6171.200112N5 N120N5-E7 PolarHBondContact O-N 2.89Å; E7-N120 PolarHBondContact O-ND2 2.81Å
8F70.9Confident69.8Low94 Ų9484.2 Ų84.241%0.41243%0.426SS..THydrogen-bonded Turntrans-110.8-32.1-172-63.6-74.2000114.8N5 G6 N119 N120N5-F8 PolarHBondContact O-N 3.06Å; G6-F8 VanDerWaalsContact C-N 3.34Å; F8-N119 PolarHBondContact O-OD1 2.8Å; F8-N120 PolarHBondContact O-N 3.43Å
9F75.6Confident70.6Confident20 Ų2083.1 Ų83.19%0.08842%0.419CS..EExtended strand (participates in β ladder)trans-135.2132.1-173.7-63.9-82.2000110.4F4 A117 E118 N119 Q126 F128F4-F9 HydrophobicContact CD2-CB 4.22Å; F4-F9 AromaticContact CD2-CD2 4Å; F4-F9 HydrophobicContact CD2-CD2 4Å; F4-F9 HydrophobicContact CD2-CG 4.25Å; F4-F9 HydrophobicContact CE2-CB 3.87Å; F4-F9 HydrophobicContact CE2-CD2 4.07Å; F4-F9 AromaticContact CE2-CG 3.9Å; F4-F9 HydrophobicContact CE2-CG 3.9Å; F4-F9 HydrophobicContact CZ-CB 4.09Å; F9-A117 HydrophobicContact CB-CB 4.11Å; F9-E118 CarbonylContact C-O 3.5Å; F9-E118 VanDerWaalsContact CA-O 3.25Å; F9-E118 WeakPolarHBondContact CA-O 3.31Å; F9-N119 HydrophobicContact CD1-CB 4.03Å; F9-N119 HydrophobicContact CE1-CB 3.75Å; F9-Q126 VanDerWaalsContact CE1-OE1 3.31Å; F9-F128 HydrophobicContact CD1-CE2 4.12Å; F9-F128 HydrophobicContact CD1-CZ 4.04Å; F9-F128 HydrophobicContact CE1-CE2 4.22Å; F9-F128 AromaticContact CE1-CZ 3.79Å; F9-F128 HydrophobicContact CE1-CZ 3.79Å; F9-F128 HydrophobicContact CE2-CZ 4.36Å; F9-F128 HydrophobicContact CG-CZ 4.43Å; F9-F128 AromaticContact CZ-CZ 3.97Å; F9-F128 HydrophobicContact CZ-CZ 3.97Å
10T78.5Confident71.2Confident74 Ų7479.4 Ų79.445%0.45440%0.402SS..EExtended strand (participates in β ladder)trans-99.8121.5171.7-60.50000109C12 A117 E118 N120T10-C12 PolarHBondContact O-N 3.2Å; T10-C12 PolarHBondContact O-SG 3.37Å; T10-A117 CarbonylContact O-C 3.41Å; T10-A117 WeakPolarHBondContact O-CA 3.5Å; T10-A117 VanDerWaalsContact O-CB 3.31Å; T10-A117 WeakPolarHBondContact O-CB 3.48Å; T10-E118 PolarHBondContact N-O 3.15Å; T10-E118 PolarHBondContact O-N 3.42Å; T10-N120 PolarHBondContact N-OD1 3.34Å; T10-N120 PolarHBondContact OG1-OD1 3.48Å
11E80.3Confident71.5Confident89 Ų8978.6 Ų78.642%0.41640%0.401SS..EExtended strand (participates in β ladder)trans-68.7113.9177.4-75.4-172.7-173.400110.2F4 I115 K147F4-E11 HydrophobicContact CD1-CG 4.23Å; F4-E11 WeakPolarHBondContact CD1-OE1 3.47Å; F4-E11 HydrophobicContact CE1-CG 3.53Å; F4-E11 WeakPolarHBondContact CE1-OE1 3.44Å; F4-E11 HydrophobicContact CZ-CG 4.5Å; E11-I115 HydrophobicContact CG-CG2 3.84Å; E11-K147 IonicContact OE1-NZ 2.78Å; E11-K147 PolarHBondContact OE1-NZ 2.88Å
12C80.6Confident73.3Confident69 Ų6972.9 Ų72.947%0.46637%0.374SS..EExtended strand (participates in β ladder)trans-93.6-39-179.5-51.40000111.9T10 T116 E118T10-C12 PolarHBondContact O-N 3.2Å; T10-C12 PolarHBondContact O-SG 3.37Å; C12-T116 PolarHBondContact N-O 3Å; C12-E118 PolarHBondContact SG-N 3.04Å
13K86.3Confident74.4Confident124 Ų12471.8 Ų71.854%0.53937%0.367SS..EExtended strand (participates in β ladder)trans-148.8137.5-176.5-165.7178.4-177.4-172.30111.2I15 I115 T116K13-I15 HydrophobicContact CD-CD1 3.88Å; K13-I15 HydrophobicContact CD-CG1 4.02Å; K13-I15 HydrophobicContact CG-CD1 4.38Å; K13-I15 HydrophobicContact CG-CG1 4Å; K13-I115 WeakPolarHBondContact O-CA 3.43Å; K13-T116 PolarHBondContact N-O 2.91Å; K13-T116 PolarHBondContact O-N 3.28Å
14R85.2Confident75.2Confident135 Ų13566.4 Ų66.451%0.50934%0.344SS..EExtended strand (participates in β ladder)trans-124.6117.3175.8-166.7173.6-166.4-147.83.6109.3I113 I115 E130R14-I113 HydrophobicContact CG-CG2 3.33Å; R14-I113 VanDerWaalsContact NH2-CD1 3.33Å; R14-I115 HydrophobicContact CG-CG1 4.4Å; R14-E130 IonicContact CZ-OE2 3.57Å; R14-E130 IonicContact NE-OE2 3.55Å; R14-E130 IonicContact NH2-OE1 2.74Å; R14-E130 IonicContact NH2-OE2 2.75Å; R14-E130 PolarHBondContact NH2-OE2 2.79Å
15I86Confident76Confident25 Ų2573.2 Ų73.213%0.12837%0.373CS..EExtended strand (participates in β ladder)trans-118115-178-53176.5000108.3K13 I17 I113 L114K13-I15 HydrophobicContact CD-CD1 3.88Å; K13-I15 HydrophobicContact CD-CG1 4.02Å; K13-I15 HydrophobicContact CG-CD1 4.38Å; K13-I15 HydrophobicContact CG-CG1 4Å; I15-I17 PolarHBondContact O-N 3.08Å; I15-I113 WeakPolarHBondContact O-CA 3.41Å; I15-I113 WeakPolarHBondContact O-CG2 3.33Å; I15-L114 PolarHBondContact N-O 3.38Å; I15-L114 PolarHBondContact O-N 3.06Å
16P87.3Confident76.9Confident75 Ų7574.1 Ų74.149%0.48737%0.374SS..EExtended strand (participates in β ladder)trans-71.4124.1170.330.3-31000108.9
17I85.5Confident77.5Confident0 Ų073.1 Ų73.10%035%0.354CS..EExtended strand (participates in β ladder)trans-101.8-37.8179.6-64.4-179.2000110.4I15 I112 L114 I188 D189 E192 L193 L196I15-I17 PolarHBondContact O-N 3.08Å; I17-I112 PolarHBondContact N-O 2.62Å; I17-L114 HydrophobicContact CD1-CB 3.54Å; I17-L114 HydrophobicContact CD1-CD2 4.27Å; I17-L114 HydrophobicContact CD1-CG 4.47Å; I17-L114 HydrophobicContact CG1-CB 4.21Å; I17-I188 WeakPolarHBondContact O-CA 3.31Å; I17-D189 PolarHBondContact O-N 3.08Å; I17-E192 HydrophobicContact CD1-CB 4.27Å; I17-E192 HydrophobicContact CG1-CB 4.13Å; I17-L193 HydrophobicContact CG2-CB 3.68Å; I17-L193 HydrophobicContact CG2-CD1 3.87Å; I17-L193 HydrophobicContact CG2-CG 4.36Å; I17-L196 HydrophobicContact CD1-CB 4.47Å; I17-L196 HydrophobicContact CD1-CD1 4.4Å; I17-L196 HydrophobicContact CD1-CD2 3.93Å
18Y84.2Confident77.6Confident3 Ų371.5 Ų71.51%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-145.1133.7-173.7169.8-82.7000110.3A20 I109 R110 N111 I112 L180 D181 L182 T185 H187 I188Y18-A20 HydrophobicContact CE1-CB 3.75Å; Y18-A20 WeakPolarHBondContact OH-CB 2.99Å; Y18-I109 HydrophobicContact CD1-CG2 4.17Å; Y18-I109 HydrophobicContact CE1-CG2 4.02Å; Y18-R110 WeakPolarHBondContact CE1-O 3.33Å; Y18-N111 CarbonylContact O-C 3.53Å; Y18-N111 VanDerWaalsContact O-CA 3.26Å; Y18-N111 WeakPolarHBondContact O-CA 3.42Å; Y18-I112 HydrophobicContact CD1-CD1 4.32Å; Y18-I112 HydrophobicContact CD1-CG1 4.03Å; Y18-I112 HydrophobicContact CG-CD1 4.28Å; Y18-I112 HydrophobicContact CG-CG1 4.32Å; Y18-I112 PolarHBondContact N-O 3.44Å; Y18-I112 PolarHBondContact O-N 2.79Å; Y18-L180 HydrophobicContact CD1-CD1 3.89Å; Y18-L180 HydrophobicContact CD2-CD1 3.73Å; Y18-L180 HydrophobicContact CD2-CG 4.42Å; Y18-L180 HydrophobicContact CE1-CD1 3.63Å; Y18-L180 HydrophobicContact CE2-CD1 3.42Å; Y18-L180 VanDerWaalsContact CE2-CD1 3.42Å; Y18-L180 HydrophobicContact CE2-CG 3.97Å; Y18-L180 HydrophobicContact CG-CD1 3.95Å; Y18-L180 VanDerWaalsContact CZ-CD1 3.41Å; Y18-D181 PolarHBondContact OH-O 3.42Å; Y18-L182 HydrophobicContact CD2-CD2 4.34Å; Y18-L182 HydrophobicContact CE2-CD2 4.12Å; Y18-T185 HydrophobicContact CD2-CG2 3.76Å; Y18-T185 HydrophobicContact CE2-CG2 3.13Å; Y18-H187 WeakPolarHBondContact CA-O 3.22Å; Y18-I188 HydrophobicContact CD2-CG1 4Å
19E86Confident77.6Confident62 Ų6270.7 Ų70.729%0.2935%0.348SS..EExtended strand (participates in β ladder)trans-131.7118.5168.6-175.1-179.2-176.400108.8N111 K186 H187E19-N111 WeakPolarHBondContact CG-OD1 3.24Å; E19-K186 HydrophobicContact CB-CB 4.45Å; E19-K186 HydrophobicContact CG-CB 4.23Å; E19-K186 HydrophobicContact CG-CD 4.44Å; E19-K186 PolarHBondContact O-N 2.95Å; E19-K186 IonicContact OE1-NZ 2.81Å; E19-K186 PolarHBondContact OE1-NZ 2.91Å; E19-K186 IonicContact OE2-NZ 2.83Å; E19-K186 PolarHBondContact OE2-NZ 2.76Å; E19-H187 HydrophobicContact CB-CB 4.19Å; E19-H187 PolarHBondContact N-O 3.44Å; E19-H187 PolarHBondContact O-N 3.1Å
20A81.9Confident77.4Confident10 Ų1075.5 Ų75.58%0.08337%0.369CS..EExtended strand (participates in β ladder)trans-75.9147.3175.400000111.3Y18 N22 R110 Y134Y18-A20 HydrophobicContact CE1-CB 3.75Å; Y18-A20 WeakPolarHBondContact OH-CB 2.99Å; A20-N22 PolarHBondContact O-N 2.98Å; A20-R110 WeakPolarHBondContact CB-O 3.42Å; A20-R110 PolarHBondContact N-O 3.47Å; A20-Y134 HydrophobicContact CB-CE2 4.36Å
21V78.6Confident76.9Confident63 Ų6373 Ų7338%0.38236%0.358SS..  trans-63.2135.4164.4176.20000108.8R23 Y134 T184 K186V21-R23 VanDerWaalsContact C-N 3.27Å; V21-R23 HydrophobicContact CG1-CG 4.39Å; V21-R23 PolarHBondContact O-N 3.31Å; V21-Y134 PolarHBondContact O-OH 2.74Å; V21-T184 WeakPolarHBondContact CB-O 3.5Å; V21-T184 VanDerWaalsContact CG2-O 3.28Å; V21-T184 WeakPolarHBondContact CG2-O 3.19Å; V21-T184 PolarHBondContact N-O 3.34Å; V21-K186 HydrophobicContact CG2-CB 4.26Å
22N72.6Confident76.4Confident102 Ų10271.5 Ų71.555%0.54536%0.361SS..  trans-68.682179.6-173.26.7000111.7A20 L24A20-N22 PolarHBondContact O-N 2.98Å; N22-L24 VanDerWaalsContact C-N 3.25Å; N22-L24 WeakPolarHBondContact OD1-CB 3.43Å; N22-L24 PolarHBondContact OD1-N 3.42Å
23R69Low76Confident106 Ų10675.6 Ų75.640%0.437%0.366SS..  trans-87.26.8175.1-71.7-173.5162.1-164.4-8.1113.2V21 K25 H26 I27 T184V21-R23 VanDerWaalsContact C-N 3.27Å; V21-R23 HydrophobicContact CG1-CG 4.39Å; V21-R23 PolarHBondContact O-N 3.31Å; R23-K25 PolarHBondContact O-N 3.14Å; R23-K25 VanDerWaalsContact O-N 3.15Å; R23-H26 WeakPolarHBondContact O-CB 3.41Å; R23-H26 PolarHBondContact O-N 2.98Å; R23-I27 HydrophobicContact CB-CD1 4.37Å; R23-I27 WeakPolarHBondContact O-CG1 3.36Å; R23-I27 PolarHBondContact O-N 3.43Å; R23-T184 WeakPolarHBondContact CD-OG1 3.48Å; R23-T184 VanDerWaalsContact CZ-CG2 3.42Å; R23-T184 PolarHBondContact NE-OG1 3.19Å; R23-T184 PolarHBondContact NH1-OG1 3.09Å
24L67.5Low75.1Confident14 Ų1470.3 Ų70.37%0.07335%0.345CS..Hα-helixtrans-55.5-38-179-166.966.3000111.3N22 R28 Y134N22-L24 VanDerWaalsContact C-N 3.25Å; N22-L24 WeakPolarHBondContact OD1-CB 3.43Å; N22-L24 PolarHBondContact OD1-N 3.42Å; L24-R28 VanDerWaalsContact CD2-NH2 3.28Å; L24-R28 VanDerWaalsContact O-CB 3.26Å; L24-R28 WeakPolarHBondContact O-CB 3.39Å; L24-R28 WeakPolarHBondContact O-CD 3.45Å; L24-R28 WeakPolarHBondContact O-CG 3.17Å; L24-R28 PolarHBondContact O-N 3.35Å; L24-Y134 HydrophobicContact CB-CD1 3.98Å; L24-Y134 HydrophobicContact CB-CE1 4.08Å; L24-Y134 HydrophobicContact CD1-CD1 3.82Å; L24-Y134 HydrophobicContact CD1-CG 4.15Å; L24-Y134 HydrophobicContact CD2-CD1 4.24Å; L24-Y134 HydrophobicContact CG-CD1 4.23Å
25K68.4Low74.3Confident167 Ų16765.3 Ų65.373%0.72633%0.333SS*.Hα-helixtrans-62.2-46.6174.7-170.6179.1-180-177.50112R23 R28 C29R23-K25 PolarHBondContact O-N 3.14Å; R23-K25 VanDerWaalsContact O-N 3.15Å; K25-R28 WeakPolarHBondContact O-CB 3.29Å; K25-R28 PolarHBondContact O-N 3.43Å; K25-C29 PolarHBondContact O-N 2.85Å; K25-C29 PolarHBondContact O-SG 3.45Å
26H69.5Low73.5Confident135 Ų13569.2 Ų69.263%0.62535%0.351SS*.Hα-helixtrans-64.1-44.9179.2-172.1-86.8000111.7R23 R28 C29 F30R23-H26 WeakPolarHBondContact O-CB 3.41Å; R23-H26 PolarHBondContact O-N 2.98Å; H26-R28 VanDerWaalsContact C-N 3.32Å; H26-R28 PolarHBondContact O-N 3.3Å; H26-C29 PolarHBondContact O-N 3.1Å; H26-F30 WeakPolarHBondContact O-CB 3.39Å; H26-F30 PolarHBondContact O-N 3.31Å
27I69.1Low72.7Confident37 Ų3768.2 Ų68.219%0.1934%0.342CS..Hα-helixtrans-64.3-38.5177.2-62.7166.6000110.9R23 F30 G31 P105 M108R23-I27 HydrophobicContact CB-CD1 4.37Å; R23-I27 WeakPolarHBondContact O-CG1 3.36Å; R23-I27 PolarHBondContact O-N 3.43Å; I27-F30 PolarHBondContact O-N 3.06Å; I27-G31 PolarHBondContact O-N 3.18Å; I27-P105 HydrophobicContact CG2-CB 4.43Å; I27-P105 HydrophobicContact CG2-CG 3.83Å; I27-M108 HydrophobicContact CD1-CE 4.4Å; I27-M108 HydrophobicContact CD1-SD 3.56Å; I27-M108 VanDerWaalsContact CD1-SD 3.56Å
28R67.5Low72Confident97 Ų9769.6 Ų69.637%0.36635%0.351SS..Hα-helixtrans-61.9-48173-77.4170.2-175.5-167.9-5.7111.9L24 K25 H26 F30 G31 A32 G138L24-R28 VanDerWaalsContact CD2-NH2 3.28Å; L24-R28 VanDerWaalsContact O-CB 3.26Å; L24-R28 WeakPolarHBondContact O-CB 3.39Å; L24-R28 WeakPolarHBondContact O-CD 3.45Å; L24-R28 WeakPolarHBondContact O-CG 3.17Å; L24-R28 PolarHBondContact O-N 3.35Å; K25-R28 WeakPolarHBondContact O-CB 3.29Å; K25-R28 PolarHBondContact O-N 3.43Å; H26-R28 VanDerWaalsContact C-N 3.32Å; H26-R28 PolarHBondContact O-N 3.3Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 3Å; R28-G31 PolarHBondContact O-N 2.87Å; R28-A32 WeakPolarHBondContact O-CB 3.36Å; R28-A32 PolarHBondContact O-N 3.09Å; R28-G138 VanDerWaalsContact CZ-O 3.28Å; R28-G138 PolarHBondContact NE-O 2.78Å; R28-G138 PolarHBondContact NH2-O 3.24Å
29C69.9Low71.4Confident77 Ų7775 Ų7552%0.5238%0.378SS..Hα-helixtrans-61.2-41.7177.1-68.80000111.3K25 H26 A32 W33K25-C29 PolarHBondContact O-N 2.85Å; K25-C29 PolarHBondContact O-SG 3.45Å; H26-C29 PolarHBondContact O-N 3.1Å; C29-A32 PolarHBondContact O-N 3.45Å; C29-W33 VanDerWaalsContact O-CB 3.27Å; C29-W33 WeakPolarHBondContact O-CB 3.35Å; C29-W33 PolarHBondContact O-N 2.85Å
30F71Confident70.7Confident121 Ų12175.9 Ų75.953%0.53139%0.388SS..Hα-helixtrans-63-46.3175.9-175.9-100.7000111.7H26 I27 R28 A32 W33 C34H26-F30 WeakPolarHBondContact O-CB 3.39Å; H26-F30 PolarHBondContact O-N 3.31Å; I27-F30 PolarHBondContact O-N 3.06Å; R28-F30 VanDerWaalsContact C-N 3.3Å; R28-F30 PolarHBondContact O-N 3Å; F30-A32 PolarHBondContact O-N 2.9Å; F30-W33 WeakPolarHBondContact O-CB 3.35Å; F30-W33 PolarHBondContact O-N 3.43Å; F30-C34 WeakPolarHBondContact O-CB 3.33Å; F30-C34 PolarHBondContact O-N 2.73Å; F30-C34 PolarHBondContact O-SG 2.78Å
31G68.5Low70Confident23 Ų2381.6 Ų81.624%0.23741%0.408CS..Hα-helixtrans-60.6-42.5175.500000113I27 R28 C34 A35I27-G31 PolarHBondContact O-N 3.18Å; R28-G31 PolarHBondContact O-N 2.87Å; G31-C34 PolarHBondContact O-N 3.39Å; G31-A35 WeakPolarHBondContact O-CB 3.06Å; G31-A35 PolarHBondContact O-N 3.39Å
32A69.4Low69.5Low56 Ų5681 Ų8146%0.46341%0.406SS..Hα-helixtrans-64.2-43.2174.900000111.8R28 C29 F30 C34 A35 M36R28-A32 WeakPolarHBondContact O-CB 3.36Å; R28-A32 PolarHBondContact O-N 3.09Å; C29-A32 PolarHBondContact O-N 3.45Å; F30-A32 PolarHBondContact O-N 2.9Å; A32-C34 VanDerWaalsContact C-N 3.34Å; A32-C34 PolarHBondContact O-N 3.42Å; A32-A35 PolarHBondContact O-N 2.99Å; A32-M36 WeakPolarHBondContact O-CG 3.28Å; A32-M36 PolarHBondContact O-N 3.32Å
33W72Confident69.4Low155 Ų15581 Ų8159%0.58740%0.401SS*.Hα-helixtrans-58.5-44.9174177.6-94.9000111.8C29 F30 M36 N37C29-W33 VanDerWaalsContact O-CB 3.27Å; C29-W33 WeakPolarHBondContact O-CB 3.35Å; C29-W33 PolarHBondContact O-N 2.85Å; F30-W33 WeakPolarHBondContact O-CB 3.35Å; F30-W33 PolarHBondContact O-N 3.43Å; W33-M36 HydrophobicContact CE3-CE 4.08Å; W33-M36 PolarHBondContact O-N 2.95Å; W33-N37 PolarHBondContact NE1-ND2 3.38Å; W33-N37 VanDerWaalsContact NE1-ND2 3.13Å; W33-N37 WeakPolarHBondContact O-CB 3.39Å; W33-N37 PolarHBondContact O-N 2.97Å; W33-N37 PolarHBondContact O-ND2 3.09Å
34C67.2Low69.2Low14 Ų1478.3 Ų78.310%0.09539%0.394CS..Hα-helixtrans-63.2-40.3175.4-67.70000112.4F30 G31 A32 N37 T38 T97F30-C34 WeakPolarHBondContact O-CB 3.33Å; F30-C34 PolarHBondContact O-N 2.73Å; F30-C34 PolarHBondContact O-SG 2.78Å; G31-C34 PolarHBondContact O-N 3.39Å; A32-C34 VanDerWaalsContact C-N 3.34Å; A32-C34 PolarHBondContact O-N 3.42Å; C34-N37 PolarHBondContact O-N 2.72Å; C34-T38 WeakPolarHBondContact O-CB 3.36Å; C34-T38 PolarHBondContact O-N 2.73Å; C34-T38 PolarHBondContact O-OG1 2.89Å; C34-T97 HydrophobicContact CB-CG2 3.61Å; C34-T97 WeakPolarHBondContact SG-CG2 3.32Å
35A68.8Low69.2Low30 Ų3079.4 Ų79.425%0.24840%0.402CS..Hα-helixtrans-65.7-42.9175.900000111.9G31 A32 T38 I39G31-A35 WeakPolarHBondContact O-CB 3.06Å; G31-A35 PolarHBondContact O-N 3.39Å; A32-A35 PolarHBondContact O-N 2.99Å; A35-T38 VanDerWaalsContact O-CB 3.31Å; A35-T38 WeakPolarHBondContact O-CB 3.31Å; A35-T38 PolarHBondContact O-N 3.07Å; A35-I39 WeakPolarHBondContact O-CG1 3.39Å; A35-I39 PolarHBondContact O-N 3.38Å
36M70.7Confident69Low106 Ų10676.1 Ų76.152%0.52240%0.399SS..Hα-helixtrans-62.4-45.3174.4-71.1-164.2-55.100111.6A32 W33 T38 I39 V40A32-M36 WeakPolarHBondContact O-CG 3.28Å; A32-M36 PolarHBondContact O-N 3.32Å; W33-M36 HydrophobicContact CE3-CE 4.08Å; W33-M36 PolarHBondContact O-N 2.95Å; M36-T38 VanDerWaalsContact C-N 3.27Å; M36-T38 PolarHBondContact O-N 3.37Å; M36-I39 PolarHBondContact O-N 2.85Å; M36-I39 VanDerWaalsContact O-N 3.16Å; M36-V40 WeakPolarHBondContact O-CG2 3.35Å; M36-V40 PolarHBondContact O-N 3.23Å
37N70.1Confident68.8Low54 Ų5472.9 Ų72.929%0.28939%0.386SS..Hα-helixtrans-59.7-41.3175.4-85.3-90000111.2W33 C34 I39 V40 W41W33-N37 PolarHBondContact NE1-ND2 3.38Å; W33-N37 VanDerWaalsContact NE1-ND2 3.13Å; W33-N37 WeakPolarHBondContact O-CB 3.39Å; W33-N37 PolarHBondContact O-N 2.97Å; W33-N37 PolarHBondContact O-ND2 3.09Å; C34-N37 PolarHBondContact O-N 2.72Å; N37-I39 PolarHBondContact O-N 3.4Å; N37-V40 PolarHBondContact O-N 3.28Å; N37-W41 WeakPolarHBondContact O-CB 3.34Å; N37-W41 PolarHBondContact O-N 3.02Å
38T70.1Confident68.4Low30 Ų3073.7 Ų73.718%0.18439%0.394CS..Hα-helixtrans-56.2-49.3174.1-63.80000111.3C34 A35 M36 V40 W41 S42 A94C34-T38 WeakPolarHBondContact O-CB 3.36Å; C34-T38 PolarHBondContact O-N 2.73Å; C34-T38 PolarHBondContact O-OG1 2.89Å; A35-T38 VanDerWaalsContact O-CB 3.31Å; A35-T38 WeakPolarHBondContact O-CB 3.31Å; A35-T38 PolarHBondContact O-N 3.07Å; M36-T38 VanDerWaalsContact C-N 3.27Å; M36-T38 PolarHBondContact O-N 3.37Å; T38-V40 PolarHBondContact O-N 2.87Å; T38-W41 PolarHBondContact O-N 3.45Å; T38-S42 WeakPolarHBondContact O-CB 3.31Å; T38-S42 PolarHBondContact O-N 3.41Å; T38-S42 PolarHBondContact O-OG 2.9Å; T38-S42 VanDerWaalsContact O-OG 3.09Å; T38-A94 HydrophobicContact CG2-CB 3.52Å
39I70.7Confident68.3Low115 Ų11576.2 Ų76.259%0.5941%0.409SS*.Hα-helixtrans-61.1-46.5179-65.8163.2000110.9A35 M36 N37 S42 F43A35-I39 WeakPolarHBondContact O-CG1 3.39Å; A35-I39 PolarHBondContact O-N 3.38Å; M36-I39 PolarHBondContact O-N 2.85Å; M36-I39 VanDerWaalsContact O-N 3.16Å; N37-I39 PolarHBondContact O-N 3.4Å; I39-S42 PolarHBondContact O-N 2.91Å; I39-F43 WeakPolarHBondContact O-CB 3.42Å; I39-F43 PolarHBondContact O-N 3.3Å
40V71.5Confident67.4Low81 Ų8180.4 Ų80.449%0.49141%0.414SS..Hα-helixtrans-61.2-47179172.20000111M36 N37 T38 F43 I44M36-V40 WeakPolarHBondContact O-CG2 3.35Å; M36-V40 PolarHBondContact O-N 3.23Å; N37-V40 PolarHBondContact O-N 3.28Å; T38-V40 PolarHBondContact O-N 2.87Å; V40-F43 PolarHBondContact O-N 2.93Å; V40-I44 HydrophobicContact CG1-CD1 3.82Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.19Å; V40-I44 PolarHBondContact O-N 3Å
41W67.1Low66.5Low131 Ų13178.9 Ų78.950%0.49641%0.411SS..Hα-helixtrans-65.7-43.2178.4-77.7114.5000112.3N37 T38 F43 I44 T45 T90N37-W41 WeakPolarHBondContact O-CB 3.34Å; N37-W41 PolarHBondContact O-N 3.02Å; T38-W41 PolarHBondContact O-N 3.45Å; W41-F43 VanDerWaalsContact C-N 3.31Å; W41-F43 PolarHBondContact O-N 3.12Å; W41-I44 PolarHBondContact O-N 3.46Å; W41-T45 WeakPolarHBondContact O-CB 3.31Å; W41-T45 PolarHBondContact O-N 3.15Å; W41-T45 PolarHBondContact O-OG1 2.72Å; W41-T90 HydrophobicContact CE3-CG2 4.2Å
42S68.1Low65.8Low49 Ų4983 Ų8334%0.34342%0.424SS..Hα-helixtrans-60.1-41.6174.4-68.10000111.7T38 I39 T45 C46T38-S42 WeakPolarHBondContact O-CB 3.31Å; T38-S42 PolarHBondContact O-N 3.41Å; T38-S42 PolarHBondContact O-OG 2.9Å; T38-S42 VanDerWaalsContact O-OG 3.09Å; I39-S42 PolarHBondContact O-N 2.91Å; S42-T45 PolarHBondContact O-N 2.93Å; S42-C46 PolarHBondContact O-N 3.48Å; S42-C46 PolarHBondContact O-SG 3.16Å; S42-C46 VanDerWaalsContact O-SG 3.34Å
43F70.9Confident64.8Low102 Ų10284.1 Ų84.145%0.44743%0.425SS..Hα-helixtrans-63.5-46.5177.2-178.4-94.2000112.5I39 V40 W41 T45 C46 N47 W50I39-F43 WeakPolarHBondContact O-CB 3.42Å; I39-F43 PolarHBondContact O-N 3.3Å; V40-F43 PolarHBondContact O-N 2.93Å; W41-F43 VanDerWaalsContact C-N 3.31Å; W41-F43 PolarHBondContact O-N 3.12Å; F43-T45 VanDerWaalsContact C-N 3.29Å; F43-T45 PolarHBondContact O-N 3.44Å; F43-C46 PolarHBondContact O-N 3.31Å; F43-N47 VanDerWaalsContact CE2-ND2 3.31Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.35Å; F43-N47 WeakPolarHBondContact O-CB 3.37Å; F43-N47 PolarHBondContact O-N 3.37Å; F43-N47 PolarHBondContact O-ND2 2.99Å; F43-W50 HydrophobicContact CE1-CD2 4.47Å
44I66.1Low63.7Low51 Ų5180 Ų8026%0.26242%0.417SS..Hα-helixtrans-60.3-42177.4-72.4170.6000110.8V40 W41 N47 I51V40-I44 HydrophobicContact CG1-CD1 3.82Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.19Å; V40-I44 PolarHBondContact O-N 3Å; W41-I44 PolarHBondContact O-N 3.46Å; I44-N47 CarbonylContact O-C 3.56Å; I44-N47 PolarHBondContact O-N 3.45Å; I44-I51 HydrophobicContact CG2-CD1 3.47Å; I44-I51 VanDerWaalsContact CG2-CD1 3.47Å; I44-I51 HydrophobicContact CG2-CG1 3.62Å
45T66.5Low62.6Low37 Ų3782.4 Ų82.423%0.22743%0.434CS..Hα-helixtrans-65.7-40.9178.4-67.50000112.4W41 S42 F43 S87 T90W41-T45 WeakPolarHBondContact O-CB 3.31Å; W41-T45 PolarHBondContact O-N 3.15Å; W41-T45 PolarHBondContact O-OG1 2.72Å; S42-T45 PolarHBondContact O-N 2.93Å; F43-T45 VanDerWaalsContact C-N 3.29Å; F43-T45 PolarHBondContact O-N 3.44Å; T45-S87 WeakPolarHBondContact CG2-OG 3.08Å; T45-T90 PolarHBondContact OG1-OG1 2.9Å
46C65Low61.5Low98 Ų9883.9 Ų83.966%0.66244%0.443SS*.Hα-helixtrans-75.2-24.5177.9-68.30000113.4S42 F43 P48S42-C46 PolarHBondContact O-N 3.48Å; S42-C46 PolarHBondContact O-SG 3.16Å; S42-C46 VanDerWaalsContact O-SG 3.34Å; F43-C46 PolarHBondContact O-N 3.31Å; C46-P48 VanDerWaalsContact C-CD 3.43Å; C46-P48 VanDerWaalsContact O-CD 3.31Å; C46-P48 WeakPolarHBondContact O-CD 3.28Å
47N65.2Low60.2Low67 Ų6783.3 Ų83.336%0.35844%0.442SS..  trans-120.167.9-178.7-65-66.3000111.7F43 I44 Q49 W50F43-N47 VanDerWaalsContact CE2-ND2 3.31Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.35Å; F43-N47 WeakPolarHBondContact O-CB 3.37Å; F43-N47 PolarHBondContact O-N 3.37Å; F43-N47 PolarHBondContact O-ND2 2.99Å; I44-N47 CarbonylContact O-C 3.56Å; I44-N47 PolarHBondContact O-N 3.45Å; N47-Q49 PolarHBondContact O-N 3.39Å; N47-W50 WeakPolarHBondContact O-CB 3.43Å; N47-W50 PolarHBondContact O-N 3.25Å
48P60.9Low58.8Low54 Ų5487.1 Ų87.135%0.35146%0.456SS..Hα-helixtrans-62.7-20.5-176.125.7-34.8000113.4C46 W50 I51 Q52C46-P48 VanDerWaalsContact C-CD 3.43Å; C46-P48 VanDerWaalsContact O-CD 3.31Å; C46-P48 WeakPolarHBondContact O-CD 3.28Å; P48-W50 VanDerWaalsContact C-N 3.26Å; P48-W50 PolarHBondContact O-N 2.89Å; P48-I51 WeakPolarHBondContact O-CB 3.48Å; P48-I51 PolarHBondContact O-N 3.03Å; P48-Q52 PolarHBondContact O-N 3.49Å
49Q63.7Low57.5Low149 Ų14991.8 Ų91.870%0.69648%0.476SS*.Hα-helixtrans-60.1-34.8174.4-71.5-179.9-1300112.1N47 I51 Q52 T53N47-Q49 PolarHBondContact O-N 3.39Å; Q49-I51 VanDerWaalsContact C-N 3.29Å; Q49-I51 PolarHBondContact O-N 3.48Å; Q49-Q52 WeakPolarHBondContact O-CB 3.06Å; Q49-Q52 PolarHBondContact O-N 2.9Å; Q49-Q52 VanDerWaalsContact O-N 3.1Å; Q49-T53 PolarHBondContact O-N 2.84Å; Q49-T53 VanDerWaalsContact O-N 3.08Å; Q49-T53 PolarHBondContact O-OG1 3.37Å; Q49-T53 VanDerWaalsContact O-OG1 3.06Å
50W51.1Low56Low165 Ų16593.4 Ų93.463%0.62549%0.485SS*.Hα-helixtrans-64.5-33.1177-110.264.4000112.8F43 N47 P48 Q52 T53 T54F43-W50 HydrophobicContact CE1-CD2 4.47Å; N47-W50 WeakPolarHBondContact O-CB 3.43Å; N47-W50 PolarHBondContact O-N 3.25Å; P48-W50 VanDerWaalsContact C-N 3.26Å; P48-W50 PolarHBondContact O-N 2.89Å; W50-Q52 VanDerWaalsContact C-N 3.29Å; W50-Q52 PolarHBondContact O-N 2.86Å; W50-T53 PolarHBondContact O-N 2.86Å; W50-T54 WeakPolarHBondContact O-CB 3.18Å; W50-T54 PolarHBondContact O-N 3.48Å; W50-T54 PolarHBondContact O-OG1 3.31Å
51I53Low54.4Low89 Ų8996.4 Ų96.446%0.45649%0.492SS..Hα-helixtrans-64.8-39174.9-55.2174.8000109.8I44 P48 Q49 T54 S55I44-I51 HydrophobicContact CG2-CD1 3.47Å; I44-I51 VanDerWaalsContact CG2-CD1 3.47Å; I44-I51 HydrophobicContact CG2-CG1 3.62Å; P48-I51 WeakPolarHBondContact O-CB 3.48Å; P48-I51 PolarHBondContact O-N 3.03Å; Q49-I51 VanDerWaalsContact C-N 3.29Å; Q49-I51 PolarHBondContact O-N 3.48Å; I51-T54 PolarHBondContact O-N 3.49Å; I51-S55 WeakPolarHBondContact O-CB 3.5Å; I51-S55 PolarHBondContact O-N 2.96Å
52Q53.3Low53.1Low109 Ų10997.3 Ų97.351%0.50950%0.499SS..Hα-helixtrans-67.1-43.4178-67.3-179-28.400111.6P48 Q49 W50 S55 S56P48-Q52 PolarHBondContact O-N 3.49Å; Q49-Q52 WeakPolarHBondContact O-CB 3.06Å; Q49-Q52 PolarHBondContact O-N 2.9Å; Q49-Q52 VanDerWaalsContact O-N 3.1Å; W50-Q52 VanDerWaalsContact C-N 3.29Å; W50-Q52 PolarHBondContact O-N 2.86Å; Q52-S55 WeakPolarHBondContact O-CB 2.82Å; Q52-S55 PolarHBondContact O-N 3.4Å; Q52-S56 PolarHBondContact O-N 2.87Å; Q52-S56 VanDerWaalsContact O-N 3.15Å
53T48.7Very low51.7Low80 Ų8098.4 Ų98.449%0.49152%0.518SS..Hα-helixtrans-68.2-35.4176.9-34.80000112.3Q49 W50 S56 N57Q49-T53 PolarHBondContact O-N 2.84Å; Q49-T53 VanDerWaalsContact O-N 3.08Å; Q49-T53 PolarHBondContact O-OG1 3.37Å; Q49-T53 VanDerWaalsContact O-OG1 3.06Å; W50-T53 PolarHBondContact O-N 2.86Å; T53-S56 PolarHBondContact O-OG 3.48Å; T53-N57 PolarHBondContact O-N 3.35Å
54T48Very low50.3Low68 Ų6897.9 Ų97.942%0.41752%0.524SS..Hα-helixtrans-74.3-36.2177.2-48.10000111.1W50 I51 S56 N57 F58W50-T54 WeakPolarHBondContact O-CB 3.18Å; W50-T54 PolarHBondContact O-N 3.48Å; W50-T54 PolarHBondContact O-OG1 3.31Å; I51-T54 PolarHBondContact O-N 3.49Å; T54-S56 VanDerWaalsContact C-N 3.33Å; T54-S56 PolarHBondContact O-N 3.22Å; T54-N57 CarbonylContact O-C 3.38Å; T54-N57 PolarHBondContact O-N 3.11Å; T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 3.12Å
55S44.4Very low48.9Very low65 Ų65101.7 Ų101.746%0.45555%0.55SS..Hα-helixtrans-57.7-42.4172.21670000112I51 Q52 F58 Q59I51-S55 WeakPolarHBondContact O-CB 3.5Å; I51-S55 PolarHBondContact O-N 2.96Å; Q52-S55 WeakPolarHBondContact O-CB 2.82Å; Q52-S55 PolarHBondContact O-N 3.4Å; S55-F58 PolarHBondContact O-N 2.87Å; S55-Q59 PolarHBondContact O-N 2.92Å; S55-Q59 VanDerWaalsContact O-N 3.09Å
56S46.1Very low47.5Very low61 Ų61107.8 Ų107.843%0.42757%0.573SS.*Hα-helixtrans-67.4-38.5175.854.70000111.8Q52 T53 T54 Q59 L60Q52-S56 PolarHBondContact O-N 2.87Å; Q52-S56 VanDerWaalsContact O-N 3.15Å; T53-S56 PolarHBondContact O-OG 3.48Å; T54-S56 VanDerWaalsContact C-N 3.33Å; T54-S56 PolarHBondContact O-N 3.22Å; S56-Q59 PolarHBondContact O-N 3.46Å; S56-L60 PolarHBondContact O-N 3.38Å
57N44.1Very low46.6Very low94 Ų94112 Ų11250%0.50358%0.58SS.*Hα-helixtrans-70.1-32.6176.2-69.8-13.4000112.6T53 T54 L60 F61T53-N57 PolarHBondContact O-N 3.35Å; T54-N57 CarbonylContact O-C 3.38Å; T54-N57 PolarHBondContact O-N 3.11Å; N57-L60 WeakPolarHBondContact O-CA 3.3Å; N57-L60 WeakPolarHBondContact O-CB 3.42Å; N57-L60 PolarHBondContact O-N 2.85Å; N57-L60 VanDerWaalsContact O-N 3.1Å; N57-F61 PolarHBondContact O-N 3.46Å
58F40Very low45.7Very low134 Ų134113.7 Ų113.759%0.58860%0.598SS**Hα-helixtrans-73.4-29.3176.6-139-89000112T54 S55 L60 F61 K62T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 3.12Å; S55-F58 PolarHBondContact O-N 2.87Å; F58-L60 PolarHBondContact O-N 3.13Å; F58-F61 CarbonylContact O-C 3.55Å; F58-F61 PolarHBondContact O-N 3.25Å; F58-F61 VanDerWaalsContact O-N 3.12Å; F58-K62 PolarHBondContact O-N 2.82Å; F58-K62 VanDerWaalsContact O-N 3.15Å
59Q42.6Very low44.7Very low129 Ų129114.2 Ų114.260%0.60360%0.602SS**Hα-helixtrans-64.3-30.1166.8-74.6-169.4600112.2S55 S56 F61 K62S55-Q59 PolarHBondContact O-N 2.92Å; S55-Q59 VanDerWaalsContact O-N 3.09Å; S56-Q59 PolarHBondContact O-N 3.46Å; Q59-F61 VanDerWaalsContact C-N 3.33Å; Q59-K62 WeakPolarHBondContact O-CB 3.36Å; Q59-K62 PolarHBondContact O-N 2.98Å
60L40.4Very low43.4Very low149 Ų149111.9 Ų111.978%0.7859%0.591SS**Hα-helixtrans-71.6-29.2171.2-122.2147.4000112.1S56 N57 F58S56-L60 PolarHBondContact O-N 3.38Å; N57-L60 WeakPolarHBondContact O-CA 3.3Å; N57-L60 WeakPolarHBondContact O-CB 3.42Å; N57-L60 PolarHBondContact O-N 2.85Å; N57-L60 VanDerWaalsContact O-N 3.1Å; F58-L60 PolarHBondContact O-N 3.13Å
61F37.5Very low43Very low143 Ų143112.3 Ų112.363%0.62760%0.597SS**G310 helixtrans-85.52175.4-114.4-87.5000114.9N57 F58 Q59 G63 T64N57-F61 PolarHBondContact O-N 3.46Å; F58-F61 CarbonylContact O-C 3.55Å; F58-F61 PolarHBondContact O-N 3.25Å; F58-F61 VanDerWaalsContact O-N 3.12Å; Q59-F61 VanDerWaalsContact C-N 3.33Å; F61-G63 PolarHBondContact O-N 3.06Å; F61-T64 PolarHBondContact O-N 2.93Å
62K38.7Very low42.4Very low150 Ų150114.5 Ų114.565%0.65261%0.607SS**G310 helixtrans-58.9-5.7175.6-88.7-175.4169-169.80114.7F58 Q59 T64F58-K62 PolarHBondContact O-N 2.82Å; F58-K62 VanDerWaalsContact O-N 3.15Å; Q59-K62 WeakPolarHBondContact O-CB 3.36Å; Q59-K62 PolarHBondContact O-N 2.98Å; K62-T64 VanDerWaalsContact C-N 3.33Å; K62-T64 PolarHBondContact O-N 3.08Å
63G40.4Very low41.9Very low73 Ų73114.3 Ų114.375%0.75361%0.609SS**G310 helixtrans-69.7-17.3176.500000115.8F61F61-G63 PolarHBondContact O-N 3.06Å
64T40.7Very low41.6Very low91 Ų91117.1 Ų117.156%0.55862%0.616SS**SBendtrans-135.692.4-173.6500000113.4F61 K62F61-T64 PolarHBondContact O-N 2.93Å; K62-T64 VanDerWaalsContact C-N 3.33Å; K62-T64 PolarHBondContact O-N 3.08Å
65T35.9Very low41.5Very low131 Ų131117.5 Ų117.580%0.80462%0.622SS**  trans2990.3147.549.50000118.8
66F38.8Very low41.4Very low165 Ų165120 Ų12072%0.72463%0.625SS**  trans-143.268.1154-106.7-84000111.1S68 C69F66-S68 PolarHBondContact O-N 3.29Å; F66-C69 PolarHBondContact O-N 3.12Å
67K44.7Very low41Very low185 Ų185126.3 Ų126.380%0.80464%0.644SS**Hα-helixtrans-56.8-20.1178.9-91.4-177174.7178.50114.7
68S45.8Very low40.9Very low104 Ų104126 Ų12673%0.72765%0.646SS**Hα-helixtrans-78.3-31.5-178.6-162.40000112.9F66F66-S68 PolarHBondContact O-N 3.29Å
69C40.4Very low41Very low65 Ų65126 Ų12644%0.43965%0.652SS.*Hα-helixtrans-79.4-22.2176.8-71.60000112.8F66 K71 M72 I73F66-C69 PolarHBondContact O-N 3.12Å; C69-K71 PolarHBondContact O-N 3.37Å; C69-M72 CarbonylContact O-C 3.56Å; C69-M72 PolarHBondContact O-N 3.46Å; C69-M72 VanDerWaalsContact O-N 3.12Å; C69-I73 HydrophobicContact CB-CD1 4.37Å; C69-I73 VanDerWaalsContact O-CG1 3.31Å; C69-I73 WeakPolarHBondContact O-CG1 3.43Å; C69-I73 PolarHBondContact O-N 3.29Å
70E37.8Very low40.9Very low100 Ų100128.6 Ų128.647%0.46766%0.656SS.*Hα-helixtrans-64.1-42.9-174.9-152.1168.7-15600112.2M72 I73 E74E70-M72 VanDerWaalsContact C-N 3.29Å; E70-M72 PolarHBondContact O-N 3.43Å; E70-I73 PolarHBondContact O-N 3.4Å; E70-I73 VanDerWaalsContact O-N 3.08Å; E70-E74 PolarHBondContact O-N 2.9Å
71K41.4Very low41.3Very low173 Ų173128.5 Ų128.575%0.75266%0.656SS**Hα-helixtrans-64.1-33.3173.4-81-172.3176.1-177.30113.2C69 I73 S75C69-K71 PolarHBondContact O-N 3.37Å; K71-I73 VanDerWaalsContact C-N 3.28Å; K71-S75 PolarHBondContact O-N 3.42Å; K71-S75 PolarHBondContact O-OG 3.4Å
72M39.9Very low41.8Very low135 Ų135123 Ų12367%0.66563%0.634SS**Hα-helixtrans-77.7-15.4177-155.4-178.9-159.800111.7C69 E70 S75 F76C69-M72 CarbonylContact O-C 3.56Å; C69-M72 PolarHBondContact O-N 3.46Å; C69-M72 VanDerWaalsContact O-N 3.12Å; E70-M72 VanDerWaalsContact C-N 3.29Å; E70-M72 PolarHBondContact O-N 3.43Å; M72-S75 PolarHBondContact O-OG 2.86Å; M72-F76 HydrophobicContact CG-CE2 4.42Å; M72-F76 WeakPolarHBondContact O-CD2 3.36Å; M72-F76 WeakPolarHBondContact O-CE2 3.38Å
73I43.9Very low42.5Very low106 Ų106120.8 Ų120.854%0.54463%0.625SS.*Hα-helixtrans-97.2-33.7176.5-66.3166.3000110.5C69 E70 K71 S75 F76C69-I73 HydrophobicContact CB-CD1 4.37Å; C69-I73 VanDerWaalsContact O-CG1 3.31Å; C69-I73 WeakPolarHBondContact O-CG1 3.43Å; C69-I73 PolarHBondContact O-N 3.29Å; E70-I73 PolarHBondContact O-N 3.4Å; E70-I73 VanDerWaalsContact O-N 3.08Å; K71-I73 VanDerWaalsContact C-N 3.28Å; I73-S75 VanDerWaalsContact C-N 3.34Å; I73-S75 PolarHBondContact O-N 2.97Å; I73-F76 WeakPolarHBondContact O-CB 3.28Å; I73-F76 PolarHBondContact O-N 3.4Å
74E43.2Very low43.2Very low138 Ų138127.3 Ų127.365%0.64563%0.627SS**Hα-helixtrans-66.8-33.5175.4-79.1-168.6147.200112.9E70 F76 K77E70-E74 PolarHBondContact O-N 2.9Å; E74-F76 PolarHBondContact O-N 2.59Å; E74-F76 VanDerWaalsContact O-N 3.12Å; E74-K77 PolarHBondContact O-N 3.39Å; E74-K77 VanDerWaalsContact O-N 3.11Å
75S44.7Very low44.1Very low77 Ų77127.6 Ų127.654%0.53862%0.624SS.*THydrogen-bonded Turntrans-63.2-15.617161.20000113.3K71 M72 I73K71-S75 PolarHBondContact O-N 3.42Å; K71-S75 PolarHBondContact O-OG 3.4Å; M72-S75 PolarHBondContact O-OG 2.86Å; I73-S75 VanDerWaalsContact C-N 3.34Å; I73-S75 PolarHBondContact O-N 2.97Å
76F42.7Very low45.2Very low118 Ų118125 Ų12552%0.51860%0.6SS.*THydrogen-bonded Turntrans-91.2-3.1177.4-78-106.1000113.8M72 I73 E74 V78 Y86M72-F76 HydrophobicContact CG-CE2 4.42Å; M72-F76 WeakPolarHBondContact O-CD2 3.36Å; M72-F76 WeakPolarHBondContact O-CE2 3.38Å; I73-F76 WeakPolarHBondContact O-CB 3.28Å; I73-F76 PolarHBondContact O-N 3.4Å; E74-F76 PolarHBondContact O-N 2.59Å; E74-F76 VanDerWaalsContact O-N 3.12Å; F76-V78 PolarHBondContact O-N 2.87Å; F76-Y86 HydrophobicContact CD1-CE1 4.02Å; F76-Y86 HydrophobicContact CE1-CE1 4.12Å
77K38.6Very low46.3Very low193 Ų193119.2 Ų119.284%0.83958%0.58SS**  trans-80.641.6179.4-134-179.2-173.1-176.60112.4E74E74-K77 PolarHBondContact O-N 3.39Å; E74-K77 VanDerWaalsContact O-N 3.11Å
78V41.4Very low47.3Very low88 Ų88113.8 Ų113.853%0.53357%0.565SS.*  trans-101.6112.5178.3179.90000109.9F76 T82F76-V78 PolarHBondContact O-N 2.87Å; V78-T82 HydrophobicContact CB-CG2 4.38Å; V78-T82 HydrophobicContact CG1-CG2 4.07Å; V78-T82 VanDerWaalsContact O-CG2 3.28Å; V78-T82 WeakPolarHBondContact O-CG2 3.5Å; V78-T82 PolarHBondContact O-OG1 2.89Å
79N40.8Very low48.4Very low133 Ų133113 Ų11371%0.71155%0.552SS**  trans10.7135.8164-131.7-5.5000120.4D81 T82N79-D81 PolarHBondContact O-N 3.41Å; N79-T82 WeakPolarHBondContact O-CB 3.27Å; N79-T82 WeakPolarHBondContact O-CG2 3.43Å; N79-T82 PolarHBondContact O-N 2.83Å; N79-T82 PolarHBondContact O-OG1 2.91Å
80W41Very low49.7Very low184 Ų184111.2 Ų111.270%0.69754%0.539SS*.THydrogen-bonded Turntrans-52.7-15.8-164.2-84.368000118.4T82 K83W80-T82 PolarHBondContact O-N 2.81Å; W80-K83 PolarHBondContact O-N 3.19Å
81D48.4Very low51.2Low146 Ų146110 Ų11078%0.78154%0.539SS*.THydrogen-bonded Turntrans-67.7-16.8170.9-80.9-37.5000113.2N79 K83N79-D81 PolarHBondContact O-N 3.41Å; D81-K83 VanDerWaalsContact C-N 3.29Å; D81-K83 PolarHBondContact O-N 3.49Å
82T49.4Very low52.6Low28 Ų28106.5 Ų106.517%0.17253%0.531CS..Hα-helixtrans-69.3-20.1177.452.70000114V78 N79 W80 R84 I85 Y86V78-T82 HydrophobicContact CB-CG2 4.38Å; V78-T82 HydrophobicContact CG1-CG2 4.07Å; V78-T82 VanDerWaalsContact O-CG2 3.28Å; V78-T82 WeakPolarHBondContact O-CG2 3.5Å; V78-T82 PolarHBondContact O-OG1 2.89Å; N79-T82 WeakPolarHBondContact O-CB 3.27Å; N79-T82 WeakPolarHBondContact O-CG2 3.43Å; N79-T82 PolarHBondContact O-N 2.83Å; N79-T82 PolarHBondContact O-OG1 2.91Å; W80-T82 PolarHBondContact O-N 2.81Å; T82-R84 PolarHBondContact O-N 2.83Å; T82-R84 VanDerWaalsContact O-N 3.14Å; T82-I85 PolarHBondContact O-N 3.25Å; T82-Y86 HydrophobicContact CG2-CE2 4.18Å; T82-Y86 WeakPolarHBondContact O-CD2 3.28Å; T82-Y86 PolarHBondContact O-N 2.9Å; T82-Y86 WeakPolarHBondContact OG1-CE2 3.26Å
83K52.8Low54.1Low103 Ų103104.9 Ų104.945%0.44853%0.525SS..Hα-helixtrans-53-39.5179.8-105.3179.6178.5172.90112.4W80 D81W80-K83 PolarHBondContact O-N 3.19Å; D81-K83 VanDerWaalsContact C-N 3.29Å; D81-K83 PolarHBondContact O-N 3.49Å
84R55.3Low55.2Low211 Ų211100.2 Ų100.280%0.79650%0.502SS*.Hα-helixtrans-77.2-36.3179-151.7175.9-167.8-171.13.2112.1T82 S88T82-R84 PolarHBondContact O-N 2.83Å; T82-R84 VanDerWaalsContact O-N 3.14Å; R84-S88 PolarHBondContact O-N 3.4Å; R84-S88 PolarHBondContact O-OG 3.36Å
85I58.6Low56.6Low97 Ų97100 Ų10050%0.49750%0.5SS..Hα-helixtrans-66.4-43.8179-60.4174.9000110.4T82 S87 S88 I89T82-I85 PolarHBondContact O-N 3.25Å; I85-S87 PolarHBondContact O-N 3.31Å; I85-S88 PolarHBondContact O-N 3.05Å; I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.22Å; I85-I89 WeakPolarHBondContact O-CG1 3.4Å; I85-I89 PolarHBondContact O-N 3.4Å
86Y60.1Low57.8Low77 Ų7799.1 Ų99.130%0.30249%0.493SS..Hα-helixtrans-61.8-42.8178.7-70.3-55.8000112.5F76 T82 S88 I89 T90F76-Y86 HydrophobicContact CD1-CE1 4.02Å; F76-Y86 HydrophobicContact CE1-CE1 4.12Å; T82-Y86 HydrophobicContact CG2-CE2 4.18Å; T82-Y86 WeakPolarHBondContact O-CD2 3.28Å; T82-Y86 PolarHBondContact O-N 2.9Å; T82-Y86 WeakPolarHBondContact OG1-CE2 3.26Å; Y86-S88 VanDerWaalsContact C-N 3.3Å; Y86-S88 PolarHBondContact O-N 3.44Å; Y86-I89 PolarHBondContact O-N 3.45Å; Y86-T90 WeakPolarHBondContact O-CB 3.47Å; Y86-T90 WeakPolarHBondContact O-CG2 3.11Å; Y86-T90 PolarHBondContact O-N 3.3Å; Y86-T90 PolarHBondContact O-OG1 3.33Å
87S62.1Low59Low43 Ų4396 Ų9630%0.30148%0.484SS..Hα-helixtrans-57.9-44.3176-179.60000111.7T45 I85 T90 T91T45-S87 WeakPolarHBondContact CG2-OG 3.08Å; I85-S87 PolarHBondContact O-N 3.31Å; S87-T90 PolarHBondContact O-OG1 3.27Å; S87-T91 WeakPolarHBondContact O-CB 3.31Å; S87-T91 PolarHBondContact O-N 2.86Å; S87-T91 VanDerWaalsContact O-N 3.07Å; S87-T91 PolarHBondContact O-OG1 3.06Å
88S64.5Low60.3Low71 Ų7191.8 Ų91.850%0.49747%0.466SS..Hα-helixtrans-68.5-46.2179.4-62.80000111.8R84 I85 Y86 T90 T91 V92R84-S88 PolarHBondContact O-N 3.4Å; R84-S88 PolarHBondContact O-OG 3.36Å; I85-S88 PolarHBondContact O-N 3.05Å; Y86-S88 VanDerWaalsContact C-N 3.3Å; Y86-S88 PolarHBondContact O-N 3.44Å; S88-T90 PolarHBondContact O-N 2.88Å; S88-T91 PolarHBondContact O-N 3.22Å; S88-V92 VanDerWaalsContact O-CG2 3.28Å; S88-V92 WeakPolarHBondContact O-CG2 3.4Å; S88-V92 PolarHBondContact O-N 3.31Å
89I70.4Confident61.6Low86 Ų8690.7 Ų90.744%0.44146%0.457SS..Hα-helixtrans-62.1-46.2179.4-67.5172.9000110.8I85 Y86 T91 V92 L93I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.22Å; I85-I89 WeakPolarHBondContact O-CG1 3.4Å; I85-I89 PolarHBondContact O-N 3.4Å; Y86-I89 PolarHBondContact O-N 3.45Å; I89-T91 PolarHBondContact O-N 2.92Å; I89-V92 PolarHBondContact O-N 3.28Å; I89-L93 HydrophobicContact CG2-CD1 3.81Å; I89-L93 HydrophobicContact CG2-CG 4.32Å; I89-L93 WeakPolarHBondContact O-CB 3.44Å; I89-L93 WeakPolarHBondContact O-CG 3.36Å; I89-L93 PolarHBondContact O-N 2.88Å
90T67.4Low62.8Low29 Ų2985.5 Ų85.518%0.17843%0.434CS..Hα-helixtrans-62.9-42.7178.848.90000111.6W41 T45 Y86 S87 S88 V92 L93 A94W41-T90 HydrophobicContact CE3-CG2 4.2Å; T45-T90 PolarHBondContact OG1-OG1 2.9Å; Y86-T90 WeakPolarHBondContact O-CB 3.47Å; Y86-T90 WeakPolarHBondContact O-CG2 3.11Å; Y86-T90 PolarHBondContact O-N 3.3Å; Y86-T90 PolarHBondContact O-OG1 3.33Å; S87-T90 PolarHBondContact O-OG1 3.27Å; S88-T90 PolarHBondContact O-N 2.88Å; T90-V92 PolarHBondContact O-N 3.19Å; T90-L93 PolarHBondContact O-N 2.87Å; T90-A94 WeakPolarHBondContact O-CB 3.09Å; T90-A94 PolarHBondContact O-N 2.88Å
91T67.7Low63.8Low75 Ų7577.9 Ų77.946%0.4641%0.414SS..Hα-helixtrans-61.9-43.9176.2-56.30000111.7S87 S88 I89 A94 F95S87-T91 WeakPolarHBondContact O-CB 3.31Å; S87-T91 PolarHBondContact O-N 2.86Å; S87-T91 VanDerWaalsContact O-N 3.07Å; S87-T91 PolarHBondContact O-OG1 3.06Å; S88-T91 PolarHBondContact O-N 3.22Å; I89-T91 PolarHBondContact O-N 2.92Å; T91-A94 PolarHBondContact O-N 3.42Å; T91-F95 VanDerWaalsContact O-CB 3.31Å; T91-F95 WeakPolarHBondContact O-CB 3.26Å; T91-F95 PolarHBondContact O-N 3.28Å
92V72.1Confident64.6Low98 Ų9872.4 Ų72.459%0.59438%0.384SS*.Hα-helixtrans-65.3-43.7177.8171.20000111.4S88 I89 T90 S96S88-V92 VanDerWaalsContact O-CG2 3.28Å; S88-V92 WeakPolarHBondContact O-CG2 3.4Å; S88-V92 PolarHBondContact O-N 3.31Å; I89-V92 PolarHBondContact O-N 3.28Å; T90-V92 PolarHBondContact O-N 3.19Å; V92-S96 VanDerWaalsContact O-CB 3.28Å; V92-S96 WeakPolarHBondContact O-CB 3.46Å; V92-S96 PolarHBondContact O-N 3.49Å; V92-S96 PolarHBondContact O-OG 3.24Å
93L70.4Confident65.2Low101 Ų10175 Ų7553%0.52940%0.396SS..Hα-helixtrans-62.3-45.4175.5-76172.1000111I89 T90 F95 S96 T97I89-L93 HydrophobicContact CG2-CD1 3.81Å; I89-L93 HydrophobicContact CG2-CG 4.32Å; I89-L93 WeakPolarHBondContact O-CB 3.44Å; I89-L93 WeakPolarHBondContact O-CG 3.36Å; I89-L93 PolarHBondContact O-N 2.88Å; T90-L93 PolarHBondContact O-N 2.87Å; L93-F95 PolarHBondContact O-N 2.9Å; L93-S96 WeakPolarHBondContact CA-OG 3.43Å; L93-S96 PolarHBondContact O-N 3.45Å; L93-S96 PolarHBondContact O-OG 3.32Å; L93-T97 WeakPolarHBondContact O-CB 3.38Å; L93-T97 PolarHBondContact O-N 3.31Å; L93-T97 PolarHBondContact O-OG1 3.36Å
94A68.3Low65.9Low9 Ų973.8 Ų73.87%0.07439%0.394CS..Hα-helixtrans-63.2-46.1-18000000111.9T38 T90 T91 T97 F98T38-A94 HydrophobicContact CG2-CB 3.52Å; T90-A94 WeakPolarHBondContact O-CB 3.09Å; T90-A94 PolarHBondContact O-N 2.88Å; T91-A94 PolarHBondContact O-N 3.42Å; A94-T97 PolarHBondContact O-N 3.47Å; A94-F98 VanDerWaalsContact O-CB 3.3Å; A94-F98 WeakPolarHBondContact O-CB 3.44Å; A94-F98 PolarHBondContact O-N 3.34Å
95F71.9Confident66Low134 Ų13464 Ų6459%0.58836%0.357SS*.Hα-helixtrans-65.5-42.1177.5-170.7-109.4000112.6T91 L93 F98 L99T91-F95 VanDerWaalsContact O-CB 3.31Å; T91-F95 WeakPolarHBondContact O-CB 3.26Å; T91-F95 PolarHBondContact O-N 3.28Å; L93-F95 PolarHBondContact O-N 2.9Å; F95-F98 PolarHBondContact O-N 3.15Å; F95-L99 HydrophobicContact CD1-CD1 3.44Å; F95-L99 VanDerWaalsContact CD1-CD1 3.44Å; F95-L99 HydrophobicContact CE1-CD1 3.18Å; F95-L99 HydrophobicContact CE1-CG 4.24Å; F95-L99 HydrophobicContact CG-CD1 4.24Å; F95-L99 HydrophobicContact CZ-CD1 3.78Å; F95-L99 HydrophobicContact CZ-CG 4.41Å; F95-L99 WeakPolarHBondContact O-CB 3.17Å; F95-L99 PolarHBondContact O-N 2.61Å
96S69.6Low66.3Low57 Ų5765.6 Ų65.640%0.39936%0.357SS..Hα-helixtrans-66.7-38.3176.558.10000112.3V92 L93 L99 G100V92-S96 VanDerWaalsContact O-CB 3.28Å; V92-S96 WeakPolarHBondContact O-CB 3.46Å; V92-S96 PolarHBondContact O-N 3.49Å; V92-S96 PolarHBondContact O-OG 3.24Å; L93-S96 WeakPolarHBondContact CA-OG 3.43Å; L93-S96 PolarHBondContact O-N 3.45Å; L93-S96 PolarHBondContact O-OG 3.32Å; S96-L99 PolarHBondContact O-N 3.3Å; S96-G100 PolarHBondContact O-N 3.16Å
97T67.9Low66.9Low54 Ų5468.4 Ų68.433%0.33137%0.367SS..Hα-helixtrans-67.2-41.3175.6-43.40000110.9C34 L93 A94 G100 G101C34-T97 HydrophobicContact CB-CG2 3.61Å; C34-T97 WeakPolarHBondContact SG-CG2 3.32Å; L93-T97 WeakPolarHBondContact O-CB 3.38Å; L93-T97 PolarHBondContact O-N 3.31Å; L93-T97 PolarHBondContact O-OG1 3.36Å; A94-T97 PolarHBondContact O-N 3.47Å; T97-G100 PolarHBondContact O-N 3.04Å; T97-G101 PolarHBondContact O-N 3.4Å
98F66.9Low67.6Low103 Ų10368.1 Ų68.145%0.45236%0.362SS..Hα-helixtrans-60.7-49173.7-176.6-109.1000111.3A94 F95 G100 G101 I102A94-F98 VanDerWaalsContact O-CB 3.3Å; A94-F98 WeakPolarHBondContact O-CB 3.44Å; A94-F98 PolarHBondContact O-N 3.34Å; F95-F98 PolarHBondContact O-N 3.15Å; F98-G100 VanDerWaalsContact C-N 3.33Å; F98-G100 PolarHBondContact O-N 2.91Å; F98-G101 PolarHBondContact O-N 2.96Å; F98-I102 HydrophobicContact CD1-CD1 3.43Å; F98-I102 VanDerWaalsContact CD1-CD1 3.43Å; F98-I102 HydrophobicContact CD2-CD1 4.26Å; F98-I102 HydrophobicContact CE1-CD1 3.16Å; F98-I102 HydrophobicContact CE1-CG1 4.45Å; F98-I102 HydrophobicContact CE2-CD1 4.03Å; F98-I102 HydrophobicContact CG-CD1 4Å; F98-I102 HydrophobicContact CZ-CD1 3.49Å; F98-I102 VanDerWaalsContact CZ-CD1 3.49Å; F98-I102 WeakPolarHBondContact O-CB 3.43Å; F98-I102 WeakPolarHBondContact O-CG1 3.34Å; F98-I102 PolarHBondContact O-N 2.75Å
99L68.5Low68.4Low65 Ų6564.9 Ų64.934%0.3434%0.339SS..Hα-helixtrans-58.1-42173.8-90.5157.4000112.7F95 S96 I102 L103F95-L99 HydrophobicContact CD1-CD1 3.44Å; F95-L99 VanDerWaalsContact CD1-CD1 3.44Å; F95-L99 HydrophobicContact CE1-CD1 3.18Å; F95-L99 HydrophobicContact CE1-CG 4.24Å; F95-L99 HydrophobicContact CG-CD1 4.24Å; F95-L99 HydrophobicContact CZ-CD1 3.78Å; F95-L99 HydrophobicContact CZ-CG 4.41Å; F95-L99 WeakPolarHBondContact O-CB 3.17Å; F95-L99 PolarHBondContact O-N 2.61Å; S96-L99 PolarHBondContact O-N 3.3Å; L99-I102 WeakPolarHBondContact O-CB 3.48Å; L99-I102 PolarHBondContact O-N 3.05Å; L99-L103 HydrophobicContact CD2-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 WeakPolarHBondContact O-CG 3.15Å; L99-L103 PolarHBondContact O-N 2.78Å
100G65.3Low69.1Low24 Ų2465.8 Ų65.825%0.24734%0.337CS..Hα-helixtrans-59.5-52.2175.500000111.5S96 T97 F98 I102 L103 I104S96-G100 PolarHBondContact O-N 3.16Å; T97-G100 PolarHBondContact O-N 3.04Å; F98-G100 VanDerWaalsContact C-N 3.33Å; F98-G100 PolarHBondContact O-N 2.91Å; G100-I102 PolarHBondContact O-N 2.95Å; G100-L103 PolarHBondContact O-N 2.75Å; G100-I104 VanDerWaalsContact O-CB 3.31Å; G100-I104 WeakPolarHBondContact O-CB 3.46Å; G100-I104 VanDerWaalsContact O-CD1 3.26Å; G100-I104 WeakPolarHBondContact O-CD1 2.99Å; G100-I104 WeakPolarHBondContact O-CG1 3.49Å; G100-I104 PolarHBondContact O-N 2.88Å
101G62.4Low70Confident25 Ų2565.9 Ų65.926%0.25834%0.336SS..Hα-helixtrans-59.7-30.5176.600000113.6T97 F98 P105T97-G101 PolarHBondContact O-N 3.4Å; F98-G101 PolarHBondContact O-N 2.96Å; G101-P105 WeakPolarHBondContact O-CD 3.45Å; G101-P105 VanDerWaalsContact O-CG 3.28Å; G101-P105 WeakPolarHBondContact O-CG 3.22Å
102I64.1Low71Confident30 Ų3062.3 Ų62.315%0.15431%0.314CS..Hα-helixtrans-74.7-48.4177.8-77.1175.7000112.6F98 L99 G100 F137F98-I102 HydrophobicContact CD1-CD1 3.43Å; F98-I102 VanDerWaalsContact CD1-CD1 3.43Å; F98-I102 HydrophobicContact CD2-CD1 4.26Å; F98-I102 HydrophobicContact CE1-CD1 3.16Å; F98-I102 HydrophobicContact CE1-CG1 4.45Å; F98-I102 HydrophobicContact CE2-CD1 4.03Å; F98-I102 HydrophobicContact CG-CD1 4Å; F98-I102 HydrophobicContact CZ-CD1 3.49Å; F98-I102 VanDerWaalsContact CZ-CD1 3.49Å; F98-I102 WeakPolarHBondContact O-CB 3.43Å; F98-I102 WeakPolarHBondContact O-CG1 3.34Å; F98-I102 PolarHBondContact O-N 2.75Å; L99-I102 WeakPolarHBondContact O-CB 3.48Å; L99-I102 PolarHBondContact O-N 3.05Å; G100-I102 PolarHBondContact O-N 2.95Å; I102-F137 HydrophobicContact CB-CD1 4.14Å; I102-F137 HydrophobicContact CB-CE1 3.63Å; I102-F137 HydrophobicContact CB-CZ 4.34Å; I102-F137 HydrophobicContact CD1-CD1 4.48Å; I102-F137 HydrophobicContact CD1-CE1 3.88Å; I102-F137 HydrophobicContact CG1-CD1 3.73Å; I102-F137 HydrophobicContact CG1-CE1 3.43Å; I102-F137 VanDerWaalsContact CG1-CE1 3.43Å; I102-F137 HydrophobicContact CG2-CD1 4.02Å; I102-F137 HydrophobicContact CG2-CE1 3.09Å; I102-F137 HydrophobicContact CG2-CE2 4.47Å; I102-F137 HydrophobicContact CG2-CZ 3.34Å
103L63.7Low71.8Confident84 Ų8458.4 Ų58.444%0.4429%0.29SS..Hα-helixtrans-86.8-30.9-167.7-67.1176.7000112.9L99 G100L99-L103 HydrophobicContact CD2-CD1 4.08Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 WeakPolarHBondContact O-CG 3.15Å; L99-L103 PolarHBondContact O-N 2.78Å; G100-L103 PolarHBondContact O-N 2.75Å
104I65.7Low72.6Confident76 Ų7653.9 Ų53.939%0.3927%0.266SS..Hα-helixtrans-64.6-51.1-174.1-66.8166.9000113G100 R106 R107 M108G100-I104 VanDerWaalsContact O-CB 3.31Å; G100-I104 WeakPolarHBondContact O-CB 3.46Å; G100-I104 VanDerWaalsContact O-CD1 3.26Å; G100-I104 WeakPolarHBondContact O-CD1 2.99Å; G100-I104 WeakPolarHBondContact O-CG1 3.49Å; G100-I104 PolarHBondContact O-N 2.88Å; I104-R106 PolarHBondContact O-N 3.21Å; I104-R106 VanDerWaalsContact O-N 3.16Å; I104-R107 PolarHBondContact O-N 3.16Å; I104-M108 HydrophobicContact CG2-CE 3.56Å; I104-M108 HydrophobicContact CG2-CG 4.48Å; I104-M108 HydrophobicContact CG2-SD 4.05Å; I104-M108 PolarHBondContact O-N 2.85Å
105P58.7Low73.6Confident5 Ų553.4 Ų53.43%0.03226%0.262CS..Hα-helixtrans-61.4-33-174.4-1625.9000112.3I27 G101 R107 M108I27-P105 HydrophobicContact CG2-CB 4.43Å; I27-P105 HydrophobicContact CG2-CG 3.83Å; G101-P105 WeakPolarHBondContact O-CD 3.45Å; G101-P105 VanDerWaalsContact O-CG 3.28Å; G101-P105 WeakPolarHBondContact O-CG 3.22Å; P105-R107 PolarHBondContact O-N 2.77Å; P105-M108 PolarHBondContact O-N 2.91Å
106R65.1Low74.3Confident132 Ų13248 Ų4850%0.49824%0.241SC..Hα-helixtrans-64.4-24-179.4-174.4175.7175.6178.3-1.4112.9I104 A136I104-R106 PolarHBondContact O-N 3.21Å; I104-R106 VanDerWaalsContact O-N 3.16Å; R106-A136 HydrophobicContact CB-CB 4.32Å; R106-A136 HydrophobicContact CG-CB 4.32Å
107R72Confident75.1Confident136 Ų13645.3 Ų45.351%0.51322%0.222SC..Hα-helixtrans-102.9-2.5-177.8-64.6-171.6-179.9-168.71.1113.1I104 P105 F178 I179I104-R107 PolarHBondContact O-N 3.16Å; P105-R107 PolarHBondContact O-N 2.77Å; R107-F178 CarbonylContact O-C 3.55Å; R107-F178 WeakPolarHBondContact O-CA 3.25Å; R107-F178 WeakPolarHBondContact O-CB 3.44Å; R107-I179 PolarHBondContact O-N 2.91Å
108M77.5Confident75.8Confident37 Ų3746.1 Ų46.118%0.18222%0.221CC..BIsolated β-bridgetrans-84.4134.7179.7-76.2176.9162.500112.1I27 I104 P105 T133 Y134 I179I27-M108 HydrophobicContact CD1-CE 4.4Å; I27-M108 HydrophobicContact CD1-SD 3.56Å; I27-M108 VanDerWaalsContact CD1-SD 3.56Å; I104-M108 HydrophobicContact CG2-CE 3.56Å; I104-M108 HydrophobicContact CG2-CG 4.48Å; I104-M108 HydrophobicContact CG2-SD 4.05Å; I104-M108 PolarHBondContact O-N 2.85Å; P105-M108 PolarHBondContact O-N 2.91Å; M108-T133 WeakPolarHBondContact O-CA 3.45Å; M108-T133 WeakPolarHBondContact O-CB 3.3Å; M108-Y134 HydrophobicContact CB-CD2 3.88Å; M108-Y134 PolarHBondContact O-N 2.78Å; M108-I179 HydrophobicContact CG-CB 4.16Å; M108-I179 HydrophobicContact CG-CG2 4.45Å
109I81.7Confident76.5Confident3 Ų342.6 Ų42.62%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-82.4130.4177.1-60.6-179000109.7Y18 I112 I131 I167 F178 I179 L180Y18-I109 HydrophobicContact CD1-CG2 4.17Å; Y18-I109 HydrophobicContact CE1-CG2 4.02Å; I109-I112 HydrophobicContact CD1-CD1 4.38Å; I109-I112 HydrophobicContact CG2-CD1 4.16Å; I109-I112 HydrophobicContact CG2-CG1 3.6Å; I109-I131 HydrophobicContact CD1-CG2 4.03Å; I109-I131 HydrophobicContact CG1-CG2 3.96Å; I109-I131 HydrophobicContact CG2-CG2 4.13Å; I109-I167 HydrophobicContact CD1-CB 3.94Å; I109-I167 HydrophobicContact CD1-CD1 3.5Å; I109-I167 HydrophobicContact CD1-CG1 3.87Å; I109-F178 HydrophobicContact CD1-CB 3.71Å; I109-F178 HydrophobicContact CG1-CB 3.66Å; I109-F178 HydrophobicContact CG1-CG 4.45Å; I109-I179 PolarHBondContact N-O 2.95Å; I109-L180 HydrophobicContact CB-CD1 4.19Å; I109-L180 HydrophobicContact CD1-CD1 4.25Å; I109-L180 HydrophobicContact CG2-CD1 4.25Å
110R83.2Confident77.1Confident105 Ų10542.7 Ų42.740%0.39621%0.208SC..EExtended strand (participates in β ladder)trans-91-56.8171.4-175.1-177.3174.4-172.2-2.4110.1Y18 A20 D132 Y134Y18-R110 WeakPolarHBondContact CE1-O 3.33Å; A20-R110 WeakPolarHBondContact CB-O 3.42Å; A20-R110 PolarHBondContact N-O 3.47Å; R110-D132 WeakPolarHBondContact CA-O 3.36Å; R110-D132 HydrophobicContact CB-CB 4.5Å; R110-D132 WeakPolarHBondContact CB-O 3.48Å; R110-D132 PolarHBondContact N-O 3.2Å; R110-Y134 HydrophobicContact CB-CD1 4.44Å; R110-Y134 HydrophobicContact CB-CD2 4.1Å; R110-Y134 HydrophobicContact CB-CE1 4.21Å; R110-Y134 HydrophobicContact CB-CE2 3.84Å; R110-Y134 HydrophobicContact CB-CG 4.41Å; R110-Y134 HydrophobicContact CG-CE1 3.96Å; R110-Y134 HydrophobicContact CG-CE2 4.26Å
111N87.2Confident77.9Confident30 Ų3047.6 Ų47.616%0.1623%0.229CC..EExtended strand (participates in β ladder)trans-133.4147.2-177.5-58.7-21.8000111.2Y18 E19 I131 D132Y18-N111 CarbonylContact O-C 3.53Å; Y18-N111 VanDerWaalsContact O-CA 3.26Å; Y18-N111 WeakPolarHBondContact O-CA 3.42Å; E19-N111 WeakPolarHBondContact CG-OD1 3.24Å; N111-I131 WeakPolarHBondContact O-CA 3.12Å; N111-D132 HydrophobicContact CB-CB 4.06Å; N111-D132 PolarHBondContact N-O 2.91Å; N111-D132 PolarHBondContact O-N 3.02Å
112I87.9Confident78.7Confident0 Ų049.8 Ų49.80%024%0.237CC..EExtended strand (participates in β ladder)trans-124.6126.7167.6-52.2176.7000107.9I17 Y18 I109 I129 E130 I167 L180 L196I17-I112 PolarHBondContact N-O 2.62Å; Y18-I112 HydrophobicContact CD1-CD1 4.32Å; Y18-I112 HydrophobicContact CD1-CG1 4.03Å; Y18-I112 HydrophobicContact CG-CD1 4.28Å; Y18-I112 HydrophobicContact CG-CG1 4.32Å; Y18-I112 PolarHBondContact N-O 3.44Å; Y18-I112 PolarHBondContact O-N 2.79Å; I109-I112 HydrophobicContact CD1-CD1 4.38Å; I109-I112 HydrophobicContact CG2-CD1 4.16Å; I109-I112 HydrophobicContact CG2-CG1 3.6Å; I112-I129 HydrophobicContact CG2-CD1 3.59Å; I112-I129 HydrophobicContact CG2-CG1 3.66Å; I112-E130 WeakPolarHBondContact CA-O 3.47Å; I112-I167 HydrophobicContact CD1-CD1 3.32Å; I112-I167 HydrophobicContact CG1-CD1 4.49Å; I112-L180 HydrophobicContact CD1-CD1 3.72Å; I112-L196 HydrophobicContact CG2-CD2 4.5Å
113I89.4Confident79.2Confident16 Ų1652.5 Ų52.58%0.08226%0.259CS..EExtended strand (participates in β ladder)trans-128.1130.3178.5-57.1173.3000107.9R14 I15 I115 E130R14-I113 HydrophobicContact CG-CG2 3.33Å; R14-I113 VanDerWaalsContact NH2-CD1 3.33Å; I15-I113 WeakPolarHBondContact O-CA 3.41Å; I15-I113 WeakPolarHBondContact O-CG2 3.33Å; I113-I115 HydrophobicContact CG2-CG1 4.25Å; I113-E130 HydrophobicContact CB-CB 4.25Å; I113-E130 PolarHBondContact N-O 2.97Å; I113-E130 PolarHBondContact O-N 3.23Å
114L88.3Confident80.1Confident6 Ų652.2 Ų52.23%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-91.4122.4170.6-179.166.6000108.9I15 I17 K127 L196I15-L114 PolarHBondContact N-O 3.38Å; I15-L114 PolarHBondContact O-N 3.06Å; I17-L114 HydrophobicContact CD1-CB 3.54Å; I17-L114 HydrophobicContact CD1-CD2 4.27Å; I17-L114 HydrophobicContact CD1-CG 4.47Å; I17-L114 HydrophobicContact CG1-CB 4.21Å; L114-K127 HydrophobicContact CD1-CB 4.28Å; L114-L196 HydrophobicContact CD1-CD1 3.86Å
115I88.5Confident80.9Confident0 Ų054.2 Ų54.20%027%0.272CS..EExtended strand (participates in β ladder)trans-109123177.5-57173.1000107.4F4 E11 K13 R14 I113 A117 K127 F128 E130 K147F4-I115 HydrophobicContact CE1-CG2 3.99Å; F4-I115 HydrophobicContact CZ-CG2 4.1Å; E11-I115 HydrophobicContact CG-CG2 3.84Å; K13-I115 WeakPolarHBondContact O-CA 3.43Å; R14-I115 HydrophobicContact CG-CG1 4.4Å; I113-I115 HydrophobicContact CG2-CG1 4.25Å; I115-A117 HydrophobicContact CG2-CB 4.43Å; I115-K127 WeakPolarHBondContact O-CA 3.45Å; I115-F128 HydrophobicContact CB-CB 4.32Å; I115-F128 PolarHBondContact N-O 2.86Å; I115-F128 PolarHBondContact O-N 3.02Å; I115-F128 VanDerWaalsContact O-O 3.14Å; I115-E130 HydrophobicContact CD1-CB 3.81Å; I115-E130 WeakPolarHBondContact CD1-OE2 3.45Å; I115-E130 HydrophobicContact CG1-CB 4.44Å; I115-K147 HydrophobicContact CD1-CD 4.39Å
116T86.9Confident82.2Confident21 Ų2156.4 Ų56.413%0.12928%0.281CS..EExtended strand (participates in β ladder)trans-99.7121.1165.1-53.70000107.1C12 K13 L125 K127C12-T116 PolarHBondContact N-O 3Å; K13-T116 PolarHBondContact N-O 2.91Å; K13-T116 PolarHBondContact O-N 3.28Å; T116-L125 HydrophobicContact CG2-CB 4.46Å; T116-L125 HydrophobicContact CG2-CD2 4.17Å; T116-K127 HydrophobicContact CG2-CG 4.47Å
117A85.7Confident83.2Confident0 Ų054.1 Ų54.10%028%0.275CS..EExtended strand (participates in β ladder)trans-129.4145.8178.500000110.5F4 F9 T10 I115 Q126 F128F4-A117 HydrophobicContact CE1-CB 4.03Å; F4-A117 HydrophobicContact CE2-CB 4.24Å; F4-A117 HydrophobicContact CZ-CB 3.37Å; F9-A117 HydrophobicContact CB-CB 4.11Å; T10-A117 CarbonylContact O-C 3.41Å; T10-A117 WeakPolarHBondContact O-CA 3.5Å; T10-A117 VanDerWaalsContact O-CB 3.31Å; T10-A117 WeakPolarHBondContact O-CB 3.48Å; I115-A117 HydrophobicContact CG2-CB 4.43Å; A117-Q126 PolarHBondContact N-O 2.99Å; A117-Q126 PolarHBondContact O-N 2.79Å; A117-Q126 VanDerWaalsContact O-O 3.07Å; A117-F128 HydrophobicContact CB-CD2 4.29Å; A117-F128 HydrophobicContact CB-CE2 4.22Å
118E83.1Confident83.9Confident70 Ų7047.8 Ų47.833%0.32725%0.251SS..EExtended strand (participates in β ladder)trans-91.2134.1175.2-171174.3174.200109.4F9 T10 C12 N120 S123 L125F9-E118 CarbonylContact C-O 3.5Å; F9-E118 VanDerWaalsContact CA-O 3.25Å; F9-E118 WeakPolarHBondContact CA-O 3.31Å; T10-E118 PolarHBondContact N-O 3.15Å; T10-E118 PolarHBondContact O-N 3.42Å; C12-E118 PolarHBondContact SG-N 3.04Å; E118-N120 PolarHBondContact O-N 2.76Å; E118-S123 VanDerWaalsContact OE1-CA 3.28Å; E118-S123 WeakPolarHBondContact OE1-CA 3.33Å; E118-S123 VanDerWaalsContact OE1-CB 3.31Å; E118-S123 WeakPolarHBondContact OE1-CB 3.49Å; E118-L125 HydrophobicContact CB-CD2 3.97Å; E118-L125 HydrophobicContact CG-CD2 4.42Å
119N82Confident84.4Confident30 Ų3046 Ų4616%0.1624%0.243CC..EExtended strand (participates in β ladder)trans-74.9118.2171-177.6-12.8000109.3F8 F9 N121 T122 S123 T124F8-N119 PolarHBondContact O-OD1 2.8Å; F9-N119 HydrophobicContact CD1-CB 4.03Å; F9-N119 HydrophobicContact CE1-CB 3.75Å; N119-N121 PolarHBondContact O-N 2.74Å; N119-N121 VanDerWaalsContact O-N 3.09Å; N119-N121 PolarHBondContact OD1-N 2.83Å; N119-T122 WeakPolarHBondContact CB-OG1 3.15Å; N119-T122 VanDerWaalsContact CG-OG1 3.25Å; N119-T122 PolarHBondContact ND2-OG1 3.3Å; N119-T122 PolarHBondContact O-N 2.92Å; N119-S123 WeakPolarHBondContact O-CA 3.19Å; N119-S123 PolarHBondContact O-N 3.11Å; N119-T124 PolarHBondContact N-O 3.18Å
120N80.9Confident84.7Confident67 Ų6746.5 Ų46.536%0.35825%0.245SC..THydrogen-bonded Turntrans-58.8-27.8-176.9-64.4-12.3000112.8G6 E7 F8 T10 E118G6-N120 PolarHBondContact O-ND2 3.19Å; E7-N120 PolarHBondContact O-ND2 2.81Å; F8-N120 PolarHBondContact O-N 3.43Å; T10-N120 PolarHBondContact N-OD1 3.34Å; T10-N120 PolarHBondContact OG1-OD1 3.48Å; E118-N120 PolarHBondContact O-N 2.76Å
121N82.1Confident84.9Confident127 Ų12741.5 Ų41.568%0.67923%0.226SC*.THydrogen-bonded Turntrans-87.3-28.3-176.9-67-11.4000113.4N119N119-N121 PolarHBondContact O-N 2.74Å; N119-N121 VanDerWaalsContact O-N 3.09Å; N119-N121 PolarHBondContact OD1-N 2.83Å
122T80.1Confident84.8Confident71 Ų7141.4 Ų41.444%0.43623%0.225SC..THydrogen-bonded Turntrans-118.5-3.8-173.255.80000113.4N119 T124N119-T122 WeakPolarHBondContact CB-OG1 3.15Å; N119-T122 VanDerWaalsContact CG-OG1 3.25Å; N119-T122 PolarHBondContact ND2-OG1 3.3Å; N119-T122 PolarHBondContact O-N 2.92Å; T122-T124 PolarHBondContact O-N 2.66Å; T122-T124 PolarHBondContact OG1-OG1 2.88Å
123S74.5Confident84.7Confident87 Ų8741.7 Ų41.761%0.60823%0.227SC*.  trans52.218.2-171.258.40000114.2E118 N119E118-S123 VanDerWaalsContact OE1-CA 3.28Å; E118-S123 WeakPolarHBondContact OE1-CA 3.33Å; E118-S123 VanDerWaalsContact OE1-CB 3.31Å; E118-S123 WeakPolarHBondContact OE1-CB 3.49Å; N119-S123 WeakPolarHBondContact O-CA 3.19Å; N119-S123 PolarHBondContact O-N 3.11Å
124T82.1Confident84Confident77 Ų7741.7 Ų41.747%0.47223%0.226SC..  trans-89.1130.2-178.954.20000109.9N119 T122 Q126N119-T124 PolarHBondContact N-O 3.18Å; T122-T124 PolarHBondContact O-N 2.66Å; T122-T124 PolarHBondContact OG1-OG1 2.88Å; T124-Q126 PolarHBondContact O-N 3.02Å
125L82.9Confident83Confident119 Ų11941.5 Ų41.562%0.62323%0.226SC*.EExtended strand (participates in β ladder)trans-73.1124.2173.7-68.9171.8000110.3T116 E118T116-L125 HydrophobicContact CG2-CB 4.46Å; T116-L125 HydrophobicContact CG2-CD2 4.17Å; E118-L125 HydrophobicContact CB-CD2 3.97Å; E118-L125 HydrophobicContact CG-CD2 4.42Å
126Q84.5Confident81.6Confident50 Ų5042.8 Ų42.823%0.23424%0.236CC..EExtended strand (participates in β ladder)trans-122137.5177-172.6173.310.400110.7F9 A117 T124 F128F9-Q126 VanDerWaalsContact CE1-OE1 3.31Å; A117-Q126 PolarHBondContact N-O 2.99Å; A117-Q126 PolarHBondContact O-N 2.79Å; A117-Q126 VanDerWaalsContact O-O 3.07Å; T124-Q126 PolarHBondContact O-N 3.02Å; Q126-F128 HydrophobicContact CB-CD2 4.47Å; Q126-F128 HydrophobicContact CB-CE2 3.59Å; Q126-F128 HydrophobicContact CB-CZ 4.04Å; Q126-F128 HydrophobicContact CG-CD2 4.26Å; Q126-F128 HydrophobicContact CG-CE1 4.42Å; Q126-F128 HydrophobicContact CG-CE2 3.48Å; Q126-F128 VanDerWaalsContact CG-CE2 3.48Å; Q126-F128 HydrophobicContact CG-CZ 3.57Å; Q126-F128 WeakPolarHBondContact O-CD2 2.96Å; Q126-F128 VanDerWaalsContact OE1-CZ 3.28Å
127K86Confident80.2Confident84 Ų8446.6 Ų46.637%0.36525%0.251SS..EExtended strand (participates in β ladder)trans-97130.5177.9-67.2-173.1176.8-170.90111.4L114 I115 T116 L150L114-K127 HydrophobicContact CD1-CB 4.28Å; I115-K127 WeakPolarHBondContact O-CA 3.45Å; T116-K127 HydrophobicContact CG2-CG 4.47Å; K127-L150 PolarHBondContact O-N 2.82Å; K127-L150 VanDerWaalsContact O-N 3.08Å
128F87.6Confident78.5Confident4 Ų447.6 Ų47.62%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-123.6143.4178-60.7-96.5000109.1F4 F9 I115 A117 Q126 R148 P149F4-F128 HydrophobicContact CD2-CD1 4.29Å; F4-F128 HydrophobicContact CD2-CE1 4.19Å; F4-F128 HydrophobicContact CD2-CZ 4.35Å; F4-F128 HydrophobicContact CE2-CB 4.44Å; F4-F128 AromaticContact CE2-CD1 3.68Å; F4-F128 HydrophobicContact CE2-CD1 3.68Å; F4-F128 AromaticContact CE2-CD2 3.42Å; F4-F128 HydrophobicContact CE2-CD2 3.42Å; F4-F128 VanDerWaalsContact CE2-CD2 3.42Å; F4-F128 AromaticContact CE2-CE1 3.64Å; F4-F128 HydrophobicContact CE2-CE1 3.64Å; F4-F128 AromaticContact CE2-CE2 3.38Å; F4-F128 HydrophobicContact CE2-CE2 3.38Å; F4-F128 AromaticContact CE2-CG 3.58Å; F4-F128 HydrophobicContact CE2-CG 3.58Å; F4-F128 AromaticContact CE2-CZ 3.5Å; F4-F128 HydrophobicContact CE2-CZ 3.5Å; F4-F128 HydrophobicContact CZ-CB 4.42Å; F4-F128 HydrophobicContact CZ-CD1 4.43Å; F4-F128 AromaticContact CZ-CD2 3.53Å; F4-F128 HydrophobicContact CZ-CD2 3.53Å; F4-F128 AromaticContact CZ-CE2 3.81Å; F4-F128 HydrophobicContact CZ-CE2 3.81Å; F4-F128 AromaticContact CZ-CG 3.88Å; F4-F128 HydrophobicContact CZ-CG 3.88Å; F4-F128 HydrophobicContact CZ-CZ 4.37Å; F9-F128 HydrophobicContact CD1-CE2 4.12Å; F9-F128 HydrophobicContact CD1-CZ 4.04Å; F9-F128 HydrophobicContact CE1-CE2 4.22Å; F9-F128 AromaticContact CE1-CZ 3.79Å; F9-F128 HydrophobicContact CE1-CZ 3.79Å; F9-F128 HydrophobicContact CE2-CZ 4.36Å; F9-F128 HydrophobicContact CG-CZ 4.43Å; F9-F128 AromaticContact CZ-CZ 3.97Å; F9-F128 HydrophobicContact CZ-CZ 3.97Å; I115-F128 HydrophobicContact CB-CB 4.32Å; I115-F128 PolarHBondContact N-O 2.86Å; I115-F128 PolarHBondContact O-N 3.02Å; I115-F128 VanDerWaalsContact O-O 3.14Å; A117-F128 HydrophobicContact CB-CD2 4.29Å; A117-F128 HydrophobicContact CB-CE2 4.22Å; Q126-F128 HydrophobicContact CB-CD2 4.47Å; Q126-F128 HydrophobicContact CB-CE2 3.59Å; Q126-F128 HydrophobicContact CB-CZ 4.04Å; Q126-F128 HydrophobicContact CG-CD2 4.26Å; Q126-F128 HydrophobicContact CG-CE1 4.42Å; Q126-F128 HydrophobicContact CG-CE2 3.48Å; Q126-F128 VanDerWaalsContact CG-CE2 3.48Å; Q126-F128 HydrophobicContact CG-CZ 3.57Å; Q126-F128 WeakPolarHBondContact O-CD2 2.96Å; Q126-F128 VanDerWaalsContact OE1-CZ 3.28Å; F128-R148 CarbonylContact C-O 3.57Å; F128-R148 WeakPolarHBondContact CA-O 3.45Å; F128-P149 HydrophobicContact CD1-CB 4.33Å; F128-P149 HydrophobicContact CD1-CG 4.03Å; F128-P149 HydrophobicContact CE1-CB 4.32Å; F128-P149 HydrophobicContact CE1-CG 3.8Å
129I87.1Confident77Confident0 Ų051 Ų510%028%0.281CS..EExtended strand (participates in β ladder)trans-94143.3164.1-144.6164.7000108.5I112 I131 K147 R148 I153 F155 L196I112-I129 HydrophobicContact CG2-CD1 3.59Å; I112-I129 HydrophobicContact CG2-CG1 3.66Å; I129-I131 HydrophobicContact CD1-CD1 4.07Å; I129-I131 HydrophobicContact CD1-CG1 4.18Å; I129-I131 HydrophobicContact CG1-CD1 4.44Å; I129-I131 HydrophobicContact CG1-CG1 4.14Å; I129-I131 HydrophobicContact CG2-CD1 3.79Å; I129-I131 HydrophobicContact CG2-CG1 3.91Å; I129-K147 CarbonylContact O-C 3.54Å; I129-K147 VanDerWaalsContact O-CA 3.3Å; I129-K147 WeakPolarHBondContact O-CA 3.28Å; I129-R148 PolarHBondContact N-O 2.79Å; I129-R148 PolarHBondContact O-N 2.88Å; I129-I153 HydrophobicContact CB-CD1 3.4Å; I129-I153 VanDerWaalsContact CB-CD1 3.4Å; I129-I153 HydrophobicContact CD1-CD1 3.8Å; I129-I153 HydrophobicContact CG1-CD1 4.22Å; I129-I153 HydrophobicContact CG2-CD1 3.11Å; I129-I153 HydrophobicContact CG2-CG1 4.07Å; I129-F155 HydrophobicContact CD1-CZ 4.34Å; I129-L196 HydrophobicContact CD1-CD2 3.78Å
130E88.3Confident75.9Confident13 Ų1356.1 Ų56.16%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-113.3119.9161.2179173.7-14900107.7R14 I112 I113 I115 T145 F146 K147R14-E130 IonicContact CZ-OE2 3.57Å; R14-E130 IonicContact NE-OE2 3.55Å; R14-E130 IonicContact NH2-OE1 2.74Å; R14-E130 IonicContact NH2-OE2 2.75Å; R14-E130 PolarHBondContact NH2-OE2 2.79Å; I112-E130 WeakPolarHBondContact CA-O 3.47Å; I113-E130 HydrophobicContact CB-CB 4.25Å; I113-E130 PolarHBondContact N-O 2.97Å; I113-E130 PolarHBondContact O-N 3.23Å; I115-E130 HydrophobicContact CD1-CB 3.81Å; I115-E130 WeakPolarHBondContact CD1-OE2 3.45Å; I115-E130 HydrophobicContact CG1-CB 4.44Å; E130-T145 HydrophobicContact CG-CG2 3.56Å; E130-T145 WeakPolarHBondContact OE1-CG2 3.43Å; E130-F146 WeakPolarHBondContact CA-O 3.45Å; E130-K147 HydrophobicContact CB-CG 4.04Å; E130-K147 HydrophobicContact CG-CG 3.91Å; E130-K147 WeakPolarHBondContact OE1-CE 3.5Å; E130-K147 IonicContact OE1-NZ 3.26Å
131I87.2Confident75Confident0 Ų057.4 Ų57.40%032%0.316CS..EExtended strand (participates in β ladder)trans-114.3116.5177.3-69166.4000108I109 N111 I129 T133 T145 F146 I167 I169I109-I131 HydrophobicContact CD1-CG2 4.03Å; I109-I131 HydrophobicContact CG1-CG2 3.96Å; I109-I131 HydrophobicContact CG2-CG2 4.13Å; N111-I131 WeakPolarHBondContact O-CA 3.12Å; I129-I131 HydrophobicContact CD1-CD1 4.07Å; I129-I131 HydrophobicContact CD1-CG1 4.18Å; I129-I131 HydrophobicContact CG1-CD1 4.44Å; I129-I131 HydrophobicContact CG1-CG1 4.14Å; I129-I131 HydrophobicContact CG2-CD1 3.79Å; I129-I131 HydrophobicContact CG2-CG1 3.91Å; I131-T133 HydrophobicContact CG2-CG2 4.25Å; I131-T145 CarbonylContact O-C 3.55Å; I131-T145 WeakPolarHBondContact O-CA 3.3Å; I131-F146 HydrophobicContact CB-CB 4.5Å; I131-F146 PolarHBondContact N-O 2.8Å; I131-F146 PolarHBondContact O-N 2.91Å; I131-I167 HydrophobicContact CD1-CG2 4.09Å; I131-I169 HydrophobicContact CB-CD1 4.38Å; I131-I169 HydrophobicContact CD1-CD1 3.4Å; I131-I169 VanDerWaalsContact CD1-CD1 3.4Å; I131-I169 HydrophobicContact CD1-CG1 3.87Å; I131-I169 HydrophobicContact CG1-CD1 4.44Å
132D86.6Confident74.5Confident28 Ų2855 Ų5515%0.1531%0.309CS..EExtended strand (participates in β ladder)trans-94.3125.7170.3-67.3-34.1000109.2R110 N111 T145R110-D132 WeakPolarHBondContact CA-O 3.36Å; R110-D132 HydrophobicContact CB-CB 4.5Å; R110-D132 WeakPolarHBondContact CB-O 3.48Å; R110-D132 PolarHBondContact N-O 3.2Å; N111-D132 HydrophobicContact CB-CB 4.06Å; N111-D132 PolarHBondContact N-O 2.91Å; N111-D132 PolarHBondContact O-N 3.02Å; D132-T145 WeakPolarHBondContact OD1-CB 3.49Å; D132-T145 WeakPolarHBondContact OD1-CG2 3.47Å; D132-T145 PolarHBondContact OD1-OG1 3.49Å
133T84.2Confident74.2Confident6 Ų653.3 Ų53.34%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-100.6160.5174.5710000110.9M108 I131 G143 R144 F146 F178M108-T133 WeakPolarHBondContact O-CA 3.45Å; M108-T133 WeakPolarHBondContact O-CB 3.3Å; I131-T133 HydrophobicContact CG2-CG2 4.25Å; T133-G143 WeakPolarHBondContact O-CA 3.5Å; T133-R144 PolarHBondContact N-O 3.19Å; T133-R144 PolarHBondContact OG1-N 2.92Å; T133-R144 PolarHBondContact OG1-O 2.89Å; T133-F146 HydrophobicContact CG2-CD2 3.94Å; T133-F146 HydrophobicContact CG2-CE2 3.72Å; T133-F178 HydrophobicContact CG2-CD1 3.69Å; T133-F178 HydrophobicContact CG2-CE1 3.59Å
134Y76Confident74.4Confident16 Ų1656.9 Ų56.96%0.06331%0.306CS..PPolyproline II helixtrans-64.7152.7166.8-73.4-77.4000111.9A20 V21 L24 M108 R110A20-Y134 HydrophobicContact CB-CE2 4.36Å; V21-Y134 PolarHBondContact O-OH 2.74Å; L24-Y134 HydrophobicContact CB-CD1 3.98Å; L24-Y134 HydrophobicContact CB-CE1 4.08Å; L24-Y134 HydrophobicContact CD1-CD1 3.82Å; L24-Y134 HydrophobicContact CD1-CG 4.15Å; L24-Y134 HydrophobicContact CD2-CD1 4.24Å; L24-Y134 HydrophobicContact CG-CD1 4.23Å; M108-Y134 HydrophobicContact CB-CD2 3.88Å; M108-Y134 PolarHBondContact O-N 2.78Å; R110-Y134 HydrophobicContact CB-CD1 4.44Å; R110-Y134 HydrophobicContact CB-CD2 4.1Å; R110-Y134 HydrophobicContact CB-CE1 4.21Å; R110-Y134 HydrophobicContact CB-CE2 3.84Å; R110-Y134 HydrophobicContact CB-CG 4.41Å; R110-Y134 HydrophobicContact CG-CE1 3.96Å; R110-Y134 HydrophobicContact CG-CE2 4.26Å
135G66.2Low74.5Confident2 Ų257 Ų572%0.02131%0.306CS..PPolyproline II helixtrans-66.8144.9174.200000111K140 S142G135-K140 WeakPolarHBondContact CA-O 3.43Å; G135-S142 WeakPolarHBondContact CA-O 3.4Å
136A59.8Low74.5Confident27 Ų2753.7 Ų53.722%0.22329%0.287CS..G310 helixtrans-68.3143.8-178.700000111.1R106 G138 I139 K140R106-A136 HydrophobicContact CB-CB 4.32Å; R106-A136 HydrophobicContact CG-CB 4.32Å; A136-G138 PolarHBondContact O-N 2.79Å; A136-I139 PolarHBondContact O-N 3.47Å; A136-K140 PolarHBondContact O-N 2.75Å
137F57.2Low74.6Confident100 Ų10054.3 Ų54.344%0.43929%0.289SS..G310 helixtrans63.76.4166.8-60.9-94000117.8I102 I139I102-F137 HydrophobicContact CB-CD1 4.14Å; I102-F137 HydrophobicContact CB-CE1 3.63Å; I102-F137 HydrophobicContact CB-CZ 4.34Å; I102-F137 HydrophobicContact CD1-CD1 4.48Å; I102-F137 HydrophobicContact CD1-CE1 3.88Å; I102-F137 HydrophobicContact CG1-CD1 3.73Å; I102-F137 HydrophobicContact CG1-CE1 3.43Å; I102-F137 VanDerWaalsContact CG1-CE1 3.43Å; I102-F137 HydrophobicContact CG2-CD1 4.02Å; I102-F137 HydrophobicContact CG2-CE1 3.09Å; I102-F137 HydrophobicContact CG2-CE2 4.47Å; I102-F137 HydrophobicContact CG2-CZ 3.34Å; F137-I139 HydrophobicContact CB-CB 4.13Å; F137-I139 HydrophobicContact CB-CD1 3.57Å; F137-I139 HydrophobicContact CB-CG1 3.66Å; F137-I139 HydrophobicContact CG-CD1 4.17Å; F137-I139 PolarHBondContact O-N 3.26Å
138G50.3Low74.5Confident21 Ų2153.1 Ų53.122%0.21628%0.282CS..G310 helixtrans63.6-6.1-166.800000115.3R28 A136R28-G138 VanDerWaalsContact CZ-O 3.28Å; R28-G138 PolarHBondContact NE-O 2.78Å; R28-G138 PolarHBondContact NH2-O 3.24Å; A136-G138 PolarHBondContact O-N 2.79Å
139I51Low74.3Confident143 Ų14353 Ų5373%0.73328%0.282SS*.THydrogen-bonded Turntrans-72.9-44174.1-58.9170.2000109.4A136 F137A136-I139 PolarHBondContact O-N 3.47Å; F137-I139 HydrophobicContact CB-CB 4.13Å; F137-I139 HydrophobicContact CB-CD1 3.57Å; F137-I139 HydrophobicContact CB-CG1 3.66Å; F137-I139 HydrophobicContact CG-CD1 4.17Å; F137-I139 PolarHBondContact O-N 3.26Å
140K59.9Low74Confident136 Ų13654.2 Ų54.259%0.59129%0.288SS*.  trans-96.7121174.3-70.9-169174.6-172.20109.9G135 A136 S142G135-K140 WeakPolarHBondContact CA-O 3.43Å; A136-K140 PolarHBondContact O-N 2.75Å; K140-S142 VanDerWaalsContact C-N 3.3Å
141S62.6Low73.5Confident95 Ų9560.4 Ų60.466%0.66432%0.315SS*.SBendtrans-68.1-36166.753.90000110.8G143S141-G143 PolarHBondContact O-N 2.89Å
142S70.1Confident73.1Confident77 Ų7762.1 Ų62.154%0.53833%0.326SS..SBendtrans-76.5122.7179.762.60000111.1G135 K140G135-S142 WeakPolarHBondContact CA-O 3.4Å; K140-S142 VanDerWaalsContact C-N 3.3Å
143G74.4Confident72.8Confident35 Ų3560.8 Ų60.836%0.36132%0.319SS..  trans-64.2-172.8168.900000114.2T133 S141T133-G143 WeakPolarHBondContact O-CA 3.5Å; S141-G143 PolarHBondContact O-N 2.89Å
144R79.6Confident72.6Confident162 Ų16261.5 Ų61.561%0.61133%0.325SS*.  trans-116.2137.3161.1-74.6-168.9179.6-168-0.1109T133 F146T133-R144 PolarHBondContact N-O 3.19Å; T133-R144 PolarHBondContact OG1-N 2.92Å; T133-R144 PolarHBondContact OG1-O 2.89Å; R144-F146 HydrophobicContact CB-CD2 4.43Å; R144-F146 HydrophobicContact CB-CE2 3.69Å; R144-F146 HydrophobicContact CB-CZ 3.96Å
145T83.6Confident72.5Confident78 Ų7861.2 Ų61.248%0.47932%0.324SS..EExtended strand (participates in β ladder)trans-99.8127.6175-56.80000109.1E130 I131 D132 K147E130-T145 HydrophobicContact CG-CG2 3.56Å; E130-T145 WeakPolarHBondContact OE1-CG2 3.43Å; I131-T145 CarbonylContact O-C 3.55Å; I131-T145 WeakPolarHBondContact O-CA 3.3Å; D132-T145 WeakPolarHBondContact OD1-CB 3.49Å; D132-T145 WeakPolarHBondContact OD1-CG2 3.47Å; D132-T145 PolarHBondContact OD1-OG1 3.49Å; T145-K147 HydrophobicContact CG2-CG 4.35Å
146F83.4Confident72.6Confident51 Ų5165.3 Ų65.322%0.22435%0.345CS..EExtended strand (participates in β ladder)trans-115.4108177.2-62.6-86.7000109.1E130 I131 T133 R144 I169 F178E130-F146 WeakPolarHBondContact CA-O 3.45Å; I131-F146 HydrophobicContact CB-CB 4.5Å; I131-F146 PolarHBondContact N-O 2.8Å; I131-F146 PolarHBondContact O-N 2.91Å; T133-F146 HydrophobicContact CG2-CD2 3.94Å; T133-F146 HydrophobicContact CG2-CE2 3.72Å; R144-F146 HydrophobicContact CB-CD2 4.43Å; R144-F146 HydrophobicContact CB-CE2 3.69Å; R144-F146 HydrophobicContact CB-CZ 3.96Å; F146-I169 HydrophobicContact CB-CD1 4.27Å; F146-F178 HydrophobicContact CD2-CZ 4.29Å; F146-F178 HydrophobicContact CE2-CE1 4.07Å; F146-F178 AromaticContact CE2-CZ 3.98Å; F146-F178 HydrophobicContact CE2-CZ 3.98Å; F146-F178 HydrophobicContact CZ-CZ 4.21Å
147K85.3Confident72.7Confident63 Ų6365.3 Ų65.327%0.27434%0.343SS..EExtended strand (participates in β ladder)trans-95.4121.4170.8-67-171.1173.1-1690110.5E11 I115 I129 E130 T145E11-K147 IonicContact OE1-NZ 2.78Å; E11-K147 PolarHBondContact OE1-NZ 2.88Å; I115-K147 HydrophobicContact CD1-CD 4.39Å; I129-K147 CarbonylContact O-C 3.54Å; I129-K147 VanDerWaalsContact O-CA 3.3Å; I129-K147 WeakPolarHBondContact O-CA 3.28Å; E130-K147 HydrophobicContact CB-CG 4.04Å; E130-K147 HydrophobicContact CG-CG 3.91Å; E130-K147 WeakPolarHBondContact OE1-CE 3.5Å; E130-K147 IonicContact OE1-NZ 3.26Å; T145-K147 HydrophobicContact CG2-CG 4.35Å
148R84.1Confident72.6Confident58 Ų5869.9 Ų69.922%0.21936%0.363CS..EExtended strand (participates in β ladder)trans-144.8146.1-178.3-69.6-64.3178.3-103.20.8112.7F128 I129 I169F128-R148 CarbonylContact C-O 3.57Å; F128-R148 WeakPolarHBondContact CA-O 3.45Å; I129-R148 PolarHBondContact N-O 2.79Å; I129-R148 PolarHBondContact O-N 2.88Å; R148-I169 HydrophobicContact CB-CG2 4.49Å; R148-I169 HydrophobicContact CG-CG2 3.92Å
149P83.3Confident72.7Confident3 Ų371.4 Ų71.42%0.01937%0.37CS..EExtended strand (participates in β ladder)trans-58.1147.1170.1-22.932.9000111.9F128 K151 C152F128-P149 HydrophobicContact CD1-CB 4.33Å; F128-P149 HydrophobicContact CD1-CG 4.03Å; F128-P149 HydrophobicContact CE1-CB 4.32Å; F128-P149 HydrophobicContact CE1-CG 3.8Å; P149-K151 HydrophobicContact CB-CG 3.8Å; P149-K151 PolarHBondContact O-N 3.27Å; P149-K151 VanDerWaalsContact O-N 3.15Å; P149-C152 WeakPolarHBondContact O-CB 3.06Å; P149-C152 PolarHBondContact O-N 3.42Å
150L80.6Confident72.7Confident25 Ų2566.9 Ų66.913%0.13135%0.351CS..G310 helixtrans-56-35.9-179.5-168.264000112.9K127 C152 I153 L196 K199 A200K127-L150 PolarHBondContact O-N 2.82Å; K127-L150 VanDerWaalsContact O-N 3.08Å; L150-C152 PolarHBondContact O-N 3.18Å; L150-I153 HydrophobicContact CD1-CD1 4.13Å; L150-I153 PolarHBondContact O-N 3.06Å; L150-L196 HydrophobicContact CD1-CD1 3.43Å; L150-L196 VanDerWaalsContact CD1-CD1 3.43Å; L150-L196 HydrophobicContact CD1-CG 4.2Å; L150-K199 HydrophobicContact CD2-CB 4.09Å; L150-A200 HydrophobicContact CD1-CB 4.28Å
151K79.1Confident72.3Confident143 Ų14368.5 Ų68.562%0.62236%0.36SS*.G310 helixtrans-57.6-19.7175.863.7175.3-179.2-175.70114.7P149 K203P149-K151 HydrophobicContact CB-CG 3.8Å; P149-K151 PolarHBondContact O-N 3.27Å; P149-K151 VanDerWaalsContact O-N 3.15Å; K151-K203 WeakPolarHBondContact O-CE 3.34Å; K151-K203 PolarHBondContact O-NZ 2.85Å
152C79.1Confident71.9Confident35 Ų3565.2 Ų65.224%0.23634%0.337CS..G310 helixtrans-92.33.2179.7-64.70000113.2P149 L150 R170P149-C152 WeakPolarHBondContact O-CB 3.06Å; P149-C152 PolarHBondContact O-N 3.42Å; L150-C152 PolarHBondContact O-N 3.18Å; C152-R170 PolarHBondContact O-N 3.45Å
153I80.3Confident71.2Confident0 Ų066 Ų660%034%0.335CS..EExtended strand (participates in β ladder)trans-112154.8-174.9-54.4155.6000108.6I129 L150 F155 I167 K203I129-I153 HydrophobicContact CB-CD1 3.4Å; I129-I153 VanDerWaalsContact CB-CD1 3.4Å; I129-I153 HydrophobicContact CD1-CD1 3.8Å; I129-I153 HydrophobicContact CG1-CD1 4.22Å; I129-I153 HydrophobicContact CG2-CD1 3.11Å; I129-I153 HydrophobicContact CG2-CG1 4.07Å; L150-I153 HydrophobicContact CD1-CD1 4.13Å; L150-I153 PolarHBondContact O-N 3.06Å; I153-F155 HydrophobicContact CG2-CD2 4.06Å; I153-F155 HydrophobicContact CG2-CE2 3.59Å; I153-F155 HydrophobicContact CG2-CZ 4.2Å; I153-I167 HydrophobicContact CG2-CG2 3.85Å; I153-K203 PolarHBondContact O-NZ 3.2Å
154S78.3Confident70.4Confident22 Ų2267.2 Ų67.215%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-148.3141.3170.6420000107.2N168S154-N168 PolarHBondContact N-O 2.74Å; S154-N168 WeakPolarHBondContact O-CA 3.45Å; S154-N168 PolarHBondContact O-N 2.95Å; S154-N168 VanDerWaalsContact O-O 3.11Å; S154-N168 WeakPolarHBondContact OG-CB 3.49Å; S154-N168 PolarHBondContact OG-O 2.88Å
155F74.4Confident69.8Low9 Ų959.6 Ų59.64%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-106122.8178-72.1-103.1000108.5I129 I153 I167 L193 L196 M197 A200 N201I129-F155 HydrophobicContact CD1-CZ 4.34Å; I153-F155 HydrophobicContact CG2-CD2 4.06Å; I153-F155 HydrophobicContact CG2-CE2 3.59Å; I153-F155 HydrophobicContact CG2-CZ 4.2Å; F155-I167 HydrophobicContact CD1-CB 4.48Å; F155-I167 HydrophobicContact CD1-CD1 3.95Å; F155-I167 HydrophobicContact CD1-CG1 3.67Å; F155-I167 HydrophobicContact CD1-CG2 4.44Å; F155-I167 HydrophobicContact CE1-CB 4.42Å; F155-I167 HydrophobicContact CE1-CD1 3.26Å; F155-I167 HydrophobicContact CE1-CG1 3.54Å; F155-I167 HydrophobicContact CE1-CG2 4.17Å; F155-I167 HydrophobicContact CZ-CD1 3.96Å; F155-I167 HydrophobicContact CZ-CG1 4.42Å; F155-I167 HydrophobicContact CZ-CG2 4.28Å; F155-L193 HydrophobicContact CE1-CD1 4.42Å; F155-L196 HydrophobicContact CE1-CD2 4.39Å; F155-L196 HydrophobicContact CE2-CD2 4.13Å; F155-L196 HydrophobicContact CE2-CG 4.1Å; F155-L196 HydrophobicContact CZ-CD2 3.51Å; F155-L196 HydrophobicContact CZ-CG 3.99Å; F155-M197 HydrophobicContact CB-CB 4.42Å; F155-M197 HydrophobicContact CB-CG 3.99Å; F155-M197 HydrophobicContact CD1-CG 3.51Å; F155-M197 HydrophobicContact CD1-SD 4.39Å; F155-M197 HydrophobicContact CD2-CG 4.15Å; F155-M197 HydrophobicContact CE1-CG 3.92Å; F155-M197 HydrophobicContact CG-CB 4.3Å; F155-M197 HydrophobicContact CG-CG 3.63Å; F155-M197 HydrophobicContact CZ-CG 4.45Å; F155-A200 HydrophobicContact CD2-CB 3.62Å; F155-A200 HydrophobicContact CE2-CB 3.74Å; F155-N201 PolarHBondContact N-OD1 2.97Å; F155-N201 PolarHBondContact O-ND2 3.21Å; F155-N201 PolarHBondContact O-OD1 2.96Å
156D69.2Low69.2Low89 Ų8960.8 Ų60.848%0.47631%0.312SS..EExtended strand (participates in β ladder)trans-10474.1172-17618.8000107.4K166 N168D156-K166 CarbonylContact C-O 3.5Å; D156-K166 HydrophobicContact CB-CB 4.35Å; D156-K166 PolarHBondContact N-O 3.35Å; D156-K166 PolarHBondContact O-N 2.96Å; D156-N168 WeakPolarHBondContact CB-ND2 3.45Å
157C60.6Low68.7Low26 Ų2658.3 Ų58.318%0.17630%0.302CS..  trans-112.4123174.6-57.20000107.8S159 S165 M197C157-S159 VanDerWaalsContact C-N 3.35Å; C157-S165 WeakPolarHBondContact SG-CB 3.34Å; C157-S165 PolarHBondContact SG-OG 2.97Å; C157-M197 HydrophobicContact CB-CE 3.38Å; C157-M197 VanDerWaalsContact SG-CE 3.58Å
158K55.3Low68.2Low197 Ų19756.4 Ų56.486%0.85729%0.294SS*.SBendtrans-74.7-27.5174.6-70.9-172.5176.5-174.30112.3
159S52.6Low67.6Low53 Ų5353.7 Ų53.737%0.37128%0.284SS..  trans-169.1157.4173.858.40000110.5C157 H161 S162C157-S159 VanDerWaalsContact C-N 3.35Å; S159-H161 PolarHBondContact O-N 3.37Å; S159-S162 WeakPolarHBondContact O-CB 3.23Å; S159-S162 PolarHBondContact O-N 2.79Å; S159-S162 PolarHBondContact O-OG 2.94Å; S159-S162 PolarHBondContact OG-N 2.73Å
160S51.6Low66.7Low48 Ų4860 Ų6034%0.33631%0.308SS..THydrogen-bonded Turntrans-57.5-29.7170.345.70000113.2S162S160-S162 VanDerWaalsContact C-N 3.34Å
161H51Low65.9Low169 Ų16960.8 Ų60.878%0.78231%0.314SS*.THydrogen-bonded Turntrans-87.81.1177.9-55.9-63.2000113.6S159 D163S159-H161 PolarHBondContact O-N 3.37Å; H161-D163 PolarHBondContact O-N 3.15Å
162S54.7Low65Low26 Ų2663.2 Ų63.218%0.18232%0.324CS..  trans-72.8127.3176.966.80000110.3S159 S160 A164S159-S162 WeakPolarHBondContact O-CB 3.23Å; S159-S162 PolarHBondContact O-N 2.79Å; S159-S162 PolarHBondContact O-OG 2.94Å; S159-S162 PolarHBondContact OG-N 2.73Å; S160-S162 VanDerWaalsContact C-N 3.34Å; S162-A164 PolarHBondContact O-N 3.04Å
163D55Low64.1Low93 Ų9370.2 Ų70.250%0.49735%0.353SS..SBendtrans-52.7-28.1-173.5-71.6-40.6000114.8H161 R183H161-D163 PolarHBondContact O-N 3.15Å; D163-R183 VanDerWaalsContact CG-NE 3.29Å; D163-R183 IonicContact OD1-CZ 3.7Å; D163-R183 IonicContact OD1-NE 3.19Å; D163-R183 PolarHBondContact OD1-NE 3.24Å; D163-R183 IonicContact OD1-NH2 3.91Å; D163-R183 PolarHBondContact OD1-NH2 3.29Å; D163-R183 IonicContact OD2-CZ 3.79Å; D163-R183 IonicContact OD2-NE 3.72Å; D163-R183 IonicContact OD2-NH2 2.76Å; D163-R183 PolarHBondContact OD2-NH2 3.41Å
164A58.4Low63.5Low61 Ų6173.9 Ų73.950%0.50438%0.375SS..SBendtrans-141.9110.1176.700000109.4S162S162-A164 PolarHBondContact O-N 3.04Å
165S66.5Low63.2Low2 Ų276.6 Ų76.61%0.01439%0.392CS..EExtended strand (participates in β ladder)trans-87.1151172.6-82.70000110.1C157 L180 L182C157-S165 WeakPolarHBondContact SG-CB 3.34Å; C157-S165 PolarHBondContact SG-OG 2.97Å; S165-L180 PolarHBondContact N-O 2.84Å; S165-L180 WeakPolarHBondContact O-CA 3.42Å; S165-L180 WeakPolarHBondContact O-CB 3.36Å; S165-L180 PolarHBondContact O-N 3.06Å; S165-L182 WeakPolarHBondContact OG-CD1 3.31Å
166K70.9Confident63.3Low103 Ų10381 Ų8145%0.44841%0.412SS..EExtended strand (participates in β ladder)trans-117.9130.4176.7-70.2179.3-174.3170.60111.1D156 F178D156-K166 CarbonylContact C-O 3.5Å; D156-K166 HydrophobicContact CB-CB 4.35Å; D156-K166 PolarHBondContact N-O 3.35Å; D156-K166 PolarHBondContact O-N 2.96Å; K166-F178 CarbonylContact C-O 3.58Å; K166-F178 VanDerWaalsContact CA-O 3.3Å; K166-F178 WeakPolarHBondContact CA-O 3.33Å
167I73.3Confident63.7Low0 Ų078.9 Ų78.90%040%0.404CS..EExtended strand (participates in β ladder)trans-103.8121.1171.4-54.5-169.5000108.4I109 I112 I131 I153 F155 I169 F178 L180I109-I167 HydrophobicContact CD1-CB 3.94Å; I109-I167 HydrophobicContact CD1-CD1 3.5Å; I109-I167 HydrophobicContact CD1-CG1 3.87Å; I112-I167 HydrophobicContact CD1-CD1 3.32Å; I112-I167 HydrophobicContact CG1-CD1 4.49Å; I131-I167 HydrophobicContact CD1-CG2 4.09Å; I153-I167 HydrophobicContact CG2-CG2 3.85Å; F155-I167 HydrophobicContact CD1-CB 4.48Å; F155-I167 HydrophobicContact CD1-CD1 3.95Å; F155-I167 HydrophobicContact CD1-CG1 3.67Å; F155-I167 HydrophobicContact CD1-CG2 4.44Å; F155-I167 HydrophobicContact CE1-CB 4.42Å; F155-I167 HydrophobicContact CE1-CD1 3.26Å; F155-I167 HydrophobicContact CE1-CG1 3.54Å; F155-I167 HydrophobicContact CE1-CG2 4.17Å; F155-I167 HydrophobicContact CZ-CD1 3.96Å; F155-I167 HydrophobicContact CZ-CG1 4.42Å; F155-I167 HydrophobicContact CZ-CG2 4.28Å; I167-I169 HydrophobicContact CG2-CG1 4.49Å; I167-F178 PolarHBondContact N-O 3.33Å; I167-F178 PolarHBondContact O-N 2.9Å; I167-L180 HydrophobicContact CD1-CD1 4.35Å; I167-L180 HydrophobicContact CD1-CD2 4.17Å; I167-L180 HydrophobicContact CG1-CB 4.39Å; I167-L180 HydrophobicContact CG1-CD2 4.43Å
168N73.5Confident64.7Low22 Ų2278.3 Ų78.312%0.11840%0.398CS..EExtended strand (participates in β ladder)trans-102.5111.8178-67.4-39000109.5S154 D156 F176 S177S154-N168 PolarHBondContact N-O 2.74Å; S154-N168 WeakPolarHBondContact O-CA 3.45Å; S154-N168 PolarHBondContact O-N 2.95Å; S154-N168 VanDerWaalsContact O-O 3.11Å; S154-N168 WeakPolarHBondContact OG-CB 3.49Å; S154-N168 PolarHBondContact OG-O 2.88Å; D156-N168 WeakPolarHBondContact CB-ND2 3.45Å; N168-F176 WeakPolarHBondContact CA-O 3.26Å; N168-S177 VanDerWaalsContact OD1-CA 3.24Å; N168-S177 WeakPolarHBondContact OD1-CA 3.44Å; N168-S177 WeakPolarHBondContact OD1-CB 3.35Å; N168-S177 PolarHBondContact OD1-OG 3.25Å
169I71.4Confident65.7Low2 Ų271.1 Ų71.11%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-94.9119.2172.6-51.8178.4000108.3I131 F146 R148 I167 V171 F176 F178I131-I169 HydrophobicContact CB-CD1 4.38Å; I131-I169 HydrophobicContact CD1-CD1 3.4Å; I131-I169 VanDerWaalsContact CD1-CD1 3.4Å; I131-I169 HydrophobicContact CD1-CG1 3.87Å; I131-I169 HydrophobicContact CG1-CD1 4.44Å; F146-I169 HydrophobicContact CB-CD1 4.27Å; R148-I169 HydrophobicContact CB-CG2 4.49Å; R148-I169 HydrophobicContact CG-CG2 3.92Å; I167-I169 HydrophobicContact CG2-CG1 4.49Å; I169-V171 HydrophobicContact CG2-CG2 4.26Å; I169-F176 PolarHBondContact N-O 2.89Å; I169-F176 PolarHBondContact O-N 2.87Å; I169-F178 HydrophobicContact CB-CE2 4.1Å; I169-F178 HydrophobicContact CD1-CD2 3.72Å; I169-F178 HydrophobicContact CD1-CE2 3.39Å; I169-F178 HydrophobicContact CD1-CZ 4.26Å; I169-F178 HydrophobicContact CG1-CD2 3.85Å; I169-F178 HydrophobicContact CG1-CE2 3.76Å
170R65.8Low66.9Low135 Ų13568.6 Ų68.651%0.50935%0.351SS..EExtended strand (participates in β ladder)trans-82.7124.1172.2-64.4-172.9-175.3-174.90.1110.2C152 V174C152-R170 PolarHBondContact O-N 3.45Å; R170-V174 WeakPolarHBondContact CA-O 3.46Å
171V63Low68Low42 Ų4268.2 Ų68.226%0.25535%0.345SS..EExtended strand (participates in β ladder)trans-120.3112.8171.5-178.20000108I169 H173 V174 F176I169-V171 HydrophobicContact CG2-CG2 4.26Å; V171-H173 VanDerWaalsContact C-N 3.25Å; V171-H173 PolarHBondContact O-N 2.85Å; V171-V174 PolarHBondContact N-O 3.43Å; V171-V174 PolarHBondContact O-N 2.9Å; V171-F176 HydrophobicContact CB-CD2 3.99Å; V171-F176 HydrophobicContact CB-CE2 3.85Å; V171-F176 HydrophobicContact CG2-CD2 3.84Å; V171-F176 HydrophobicContact CG2-CE2 4.13Å
172K60.6Low69.1Low193 Ų19361.7 Ų61.784%0.83932%0.316SS*.THydrogen-bonded Turntrans46.648.1-179.3-59.7-175.9174.6-171.50112.6V174K172-V174 VanDerWaalsContact C-N 3.32Å; K172-V174 PolarHBondContact O-N 2.67Å
173H60.6Low69.8Low182 Ų18268.5 Ų68.584%0.84334%0.338SS*.THydrogen-bonded Turntrans77-9.9-176.9-48.6-80.3000117.6V171 P175V171-H173 VanDerWaalsContact C-N 3.25Å; V171-H173 PolarHBondContact O-N 2.85Å; H173-P175 WeakPolarHBondContact O-CD 3.42Å
174V67.3Low70.4Confident78 Ų7865.7 Ų65.747%0.47332%0.324SS..EExtended strand (participates in β ladder)trans-88.5119.4175.9-176.30000109.8R170 V171 K172 F176R170-V174 WeakPolarHBondContact CA-O 3.46Å; V171-V174 PolarHBondContact N-O 3.43Å; V171-V174 PolarHBondContact O-N 2.9Å; K172-V174 VanDerWaalsContact C-N 3.32Å; K172-V174 PolarHBondContact O-N 2.67Å; V174-F176 HydrophobicContact CB-CE2 3.92Å; V174-F176 HydrophobicContact CB-CZ 4.46Å; V174-F176 HydrophobicContact CG1-CD2 4.35Å; V174-F176 HydrophobicContact CG1-CE2 3.77Å; V174-F176 HydrophobicContact CG1-CZ 3.96Å; V174-F176 WeakPolarHBondContact O-CD2 3.4Å
175P71.4Confident71.1Confident79 Ų7964.7 Ų64.751%0.51331%0.312SS..EExtended strand (participates in β ladder)trans-76.1123.6173.930.5-31.9000110.2H173H173-P175 WeakPolarHBondContact O-CD 3.42Å
176F76Confident71.6Confident102 Ų10271.1 Ų71.145%0.44734%0.339SS..EExtended strand (participates in β ladder)trans-103.3110169.8-71-86.3000108.9N168 I169 V171 V174 F178N168-F176 WeakPolarHBondContact CA-O 3.26Å; I169-F176 PolarHBondContact N-O 2.89Å; I169-F176 PolarHBondContact O-N 2.87Å; V171-F176 HydrophobicContact CB-CD2 3.99Å; V171-F176 HydrophobicContact CB-CE2 3.85Å; V171-F176 HydrophobicContact CG2-CD2 3.84Å; V171-F176 HydrophobicContact CG2-CE2 4.13Å; V174-F176 HydrophobicContact CB-CE2 3.92Å; V174-F176 HydrophobicContact CB-CZ 4.46Å; V174-F176 HydrophobicContact CG1-CD2 4.35Å; V174-F176 HydrophobicContact CG1-CE2 3.77Å; V174-F176 HydrophobicContact CG1-CZ 3.96Å; V174-F176 WeakPolarHBondContact O-CD2 3.4Å; F176-F178 HydrophobicContact CB-CE2 3.71Å; F176-F178 HydrophobicContact CB-CZ 4.15Å; F176-F178 WeakPolarHBondContact O-CD2 3.4Å; F176-F178 WeakPolarHBondContact O-CE2 3.02Å
177S78.5Confident71.8Confident44 Ų4470.1 Ų70.131%0.30834%0.336SS..EExtended strand (participates in β ladder)trans-84.7127177.5-510000111.2N168N168-S177 VanDerWaalsContact OD1-CA 3.24Å; N168-S177 WeakPolarHBondContact OD1-CA 3.44Å; N168-S177 WeakPolarHBondContact OD1-CB 3.35Å; N168-S177 PolarHBondContact OD1-OG 3.25Å
178F81.1Confident72.1Confident13 Ų1372 Ų726%0.05735%0.346CS..EExtended strand (participates in β ladder)trans-115143.3172.8-62.3-85000109.6R107 I109 T133 F146 K166 I167 I169 F176R107-F178 CarbonylContact O-C 3.55Å; R107-F178 WeakPolarHBondContact O-CA 3.25Å; R107-F178 WeakPolarHBondContact O-CB 3.44Å; I109-F178 HydrophobicContact CD1-CB 3.71Å; I109-F178 HydrophobicContact CG1-CB 3.66Å; I109-F178 HydrophobicContact CG1-CG 4.45Å; T133-F178 HydrophobicContact CG2-CD1 3.69Å; T133-F178 HydrophobicContact CG2-CE1 3.59Å; F146-F178 HydrophobicContact CD2-CZ 4.29Å; F146-F178 HydrophobicContact CE2-CE1 4.07Å; F146-F178 AromaticContact CE2-CZ 3.98Å; F146-F178 HydrophobicContact CE2-CZ 3.98Å; F146-F178 HydrophobicContact CZ-CZ 4.21Å; K166-F178 CarbonylContact C-O 3.58Å; K166-F178 VanDerWaalsContact CA-O 3.3Å; K166-F178 WeakPolarHBondContact CA-O 3.33Å; I167-F178 PolarHBondContact N-O 3.33Å; I167-F178 PolarHBondContact O-N 2.9Å; I169-F178 HydrophobicContact CB-CE2 4.1Å; I169-F178 HydrophobicContact CD1-CD2 3.72Å; I169-F178 HydrophobicContact CD1-CE2 3.39Å; I169-F178 HydrophobicContact CD1-CZ 4.26Å; I169-F178 HydrophobicContact CG1-CD2 3.85Å; I169-F178 HydrophobicContact CG1-CE2 3.76Å; F176-F178 HydrophobicContact CB-CE2 3.71Å; F176-F178 HydrophobicContact CB-CZ 4.15Å; F176-F178 WeakPolarHBondContact O-CD2 3.4Å; F176-F178 WeakPolarHBondContact O-CE2 3.02Å
179I77.3Confident72.4Confident47 Ų4773.4 Ų73.424%0.24135%0.353CS..EExtended strand (participates in β ladder)trans-88.3127.5178.8-58.3170.3000107.9R107 M108 I109R107-I179 PolarHBondContact O-N 2.91Å; M108-I179 HydrophobicContact CG-CB 4.16Å; M108-I179 HydrophobicContact CG-CG2 4.45Å; I109-I179 PolarHBondContact N-O 2.95Å
180L77.1Confident72.6Confident0 Ų079.2 Ų79.20%038%0.38CS..EExtended strand (participates in β ladder)trans-107.6112172-171.969.9000108.3Y18 I109 I112 S165 I167 L182Y18-L180 HydrophobicContact CD1-CD1 3.89Å; Y18-L180 HydrophobicContact CD2-CD1 3.73Å; Y18-L180 HydrophobicContact CD2-CG 4.42Å; Y18-L180 HydrophobicContact CE1-CD1 3.63Å; Y18-L180 HydrophobicContact CE2-CD1 3.42Å; Y18-L180 VanDerWaalsContact CE2-CD1 3.42Å; Y18-L180 HydrophobicContact CE2-CG 3.97Å; Y18-L180 HydrophobicContact CG-CD1 3.95Å; Y18-L180 VanDerWaalsContact CZ-CD1 3.41Å; I109-L180 HydrophobicContact CB-CD1 4.19Å; I109-L180 HydrophobicContact CD1-CD1 4.25Å; I109-L180 HydrophobicContact CG2-CD1 4.25Å; I112-L180 HydrophobicContact CD1-CD1 3.72Å; S165-L180 PolarHBondContact N-O 2.84Å; S165-L180 WeakPolarHBondContact O-CA 3.42Å; S165-L180 WeakPolarHBondContact O-CB 3.36Å; S165-L180 PolarHBondContact O-N 3.06Å; I167-L180 HydrophobicContact CD1-CD1 4.35Å; I167-L180 HydrophobicContact CD1-CD2 4.17Å; I167-L180 HydrophobicContact CG1-CB 4.39Å; I167-L180 HydrophobicContact CG1-CD2 4.43Å; L180-L182 HydrophobicContact CD2-CD2 3.77Å; L180-L182 HydrophobicContact CD2-CG 4.24Å; L180-L182 HydrophobicContact CG-CD2 4Å; L180-L182 HydrophobicContact CG-CG 4.3Å; L180-L182 PolarHBondContact O-N 2.92Å
181D75.5Confident73.3Confident39 Ų3979.1 Ų79.121%0.20939%0.39CS..  trans-92.497.7178.7-178.40.7000109.5Y18 R183 T185Y18-D181 PolarHBondContact OH-O 3.42Å; D181-R183 VanDerWaalsContact C-N 3.33Å; D181-R183 WeakPolarHBondContact OD1-CB 3.16Å; D181-R183 PolarHBondContact OD1-N 2.78Å; D181-R183 VanDerWaalsContact OD1-N 3.11Å; D181-T185 WeakPolarHBondContact O-CG2 3.44Å
182L73Confident74Confident32 Ų3279.9 Ų79.917%0.16839%0.391CS..  trans-79.8-13.2-179-65.1173.4000112.9Y18 S165 L180 T184 I188 L193Y18-L182 HydrophobicContact CD2-CD2 4.34Å; Y18-L182 HydrophobicContact CE2-CD2 4.12Å; S165-L182 WeakPolarHBondContact OG-CD1 3.31Å; L180-L182 HydrophobicContact CD2-CD2 3.77Å; L180-L182 HydrophobicContact CD2-CG 4.24Å; L180-L182 HydrophobicContact CG-CD2 4Å; L180-L182 HydrophobicContact CG-CG 4.3Å; L180-L182 PolarHBondContact O-N 2.92Å; L182-T184 PolarHBondContact O-N 2.82Å; L182-I188 HydrophobicContact CD2-CD1 3.91Å; L182-L193 HydrophobicContact CD2-CD2 4.13Å
183R69.9Low74.8Confident170 Ų17071.2 Ų71.264%0.64235%0.354SS*.THydrogen-bonded Turntrans-69.4-34.5-175.8-75-174.6168.6-160.51.5113.1D163 D181D163-R183 VanDerWaalsContact CG-NE 3.29Å; D163-R183 IonicContact OD1-CZ 3.7Å; D163-R183 IonicContact OD1-NE 3.19Å; D163-R183 PolarHBondContact OD1-NE 3.24Å; D163-R183 IonicContact OD1-NH2 3.91Å; D163-R183 PolarHBondContact OD1-NH2 3.29Å; D163-R183 IonicContact OD2-CZ 3.79Å; D163-R183 IonicContact OD2-NE 3.72Å; D163-R183 IonicContact OD2-NH2 2.76Å; D163-R183 PolarHBondContact OD2-NH2 3.41Å; D181-R183 VanDerWaalsContact C-N 3.33Å; D181-R183 WeakPolarHBondContact OD1-CB 3.16Å; D181-R183 PolarHBondContact OD1-N 2.78Å; D181-R183 VanDerWaalsContact OD1-N 3.11Å
184T67.6Low75.5Confident34 Ų3467.1 Ų67.121%0.20933%0.333CS..THydrogen-bonded Turntrans-134.471.5-175.449.20000111.7V21 R23 L182V21-T184 WeakPolarHBondContact CB-O 3.5Å; V21-T184 VanDerWaalsContact CG2-O 3.28Å; V21-T184 WeakPolarHBondContact CG2-O 3.19Å; V21-T184 PolarHBondContact N-O 3.34Å; R23-T184 WeakPolarHBondContact CD-OG1 3.48Å; R23-T184 VanDerWaalsContact CZ-CG2 3.42Å; R23-T184 PolarHBondContact NE-OG1 3.19Å; R23-T184 PolarHBondContact NH1-OG1 3.09Å; L182-T184 PolarHBondContact O-N 2.82Å
185T72.1Confident75.9Confident40 Ų4065.6 Ų65.625%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-96144.2172.2540000110.2Y18 D181 I188Y18-T185 HydrophobicContact CD2-CG2 3.76Å; Y18-T185 HydrophobicContact CE2-CG2 3.13Å; D181-T185 WeakPolarHBondContact O-CG2 3.44Å; T185-I188 VanDerWaalsContact CB-CG1 3.44Å; T185-I188 HydrophobicContact CG2-CD1 3.47Å; T185-I188 VanDerWaalsContact CG2-CD1 3.47Å; T185-I188 HydrophobicContact CG2-CG1 3.54Å; T185-I188 WeakPolarHBondContact OG1-CD1 3.38Å; T185-I188 VanDerWaalsContact OG1-CG1 3.23Å; T185-I188 WeakPolarHBondContact OG1-CG1 3.25Å
186K77.6Confident76.1Confident137 Ų13762.1 Ų62.160%0.59630%0.303SS*.EExtended strand (participates in β ladder)trans-79.9-33.1170177.8165.7165.4-103.60110.1E19 V21E19-K186 HydrophobicContact CB-CB 4.45Å; E19-K186 HydrophobicContact CG-CB 4.23Å; E19-K186 HydrophobicContact CG-CD 4.44Å; E19-K186 PolarHBondContact O-N 2.95Å; E19-K186 IonicContact OE1-NZ 2.81Å; E19-K186 PolarHBondContact OE1-NZ 2.91Å; E19-K186 IonicContact OE2-NZ 2.83Å; E19-K186 PolarHBondContact OE2-NZ 2.76Å; V21-K186 HydrophobicContact CG2-CB 4.26Å
187H75.9Confident76.1Confident82 Ų8258.6 Ų58.638%0.3829%0.288SS..EExtended strand (participates in β ladder)trans-153.5133.3178.6-179.764.5000109.6Y18 E19Y18-H187 WeakPolarHBondContact CA-O 3.22Å; E19-H187 HydrophobicContact CB-CB 4.19Å; E19-H187 PolarHBondContact N-O 3.44Å; E19-H187 PolarHBondContact O-N 3.1Å
188I79.5Confident76Confident39 Ų3963.6 Ų63.620%0.230%0.301CS..EExtended strand (participates in β ladder)trans-135125.5165.4-55.6166.6000106.4I17 Y18 L182 T185 E190 L193I17-I188 WeakPolarHBondContact O-CA 3.31Å; Y18-I188 HydrophobicContact CD2-CG1 4Å; L182-I188 HydrophobicContact CD2-CD1 3.91Å; T185-I188 VanDerWaalsContact CB-CG1 3.44Å; T185-I188 HydrophobicContact CG2-CD1 3.47Å; T185-I188 VanDerWaalsContact CG2-CD1 3.47Å; T185-I188 HydrophobicContact CG2-CG1 3.54Å; T185-I188 WeakPolarHBondContact OG1-CD1 3.38Å; T185-I188 VanDerWaalsContact OG1-CG1 3.23Å; T185-I188 WeakPolarHBondContact OG1-CG1 3.25Å; I188-E190 HydrophobicContact CB-CG 4.45Å; I188-E190 HydrophobicContact CG2-CG 3.92Å; I188-E190 PolarHBondContact O-N 3.46Å; I188-L193 HydrophobicContact CG2-CB 4.49Å; I188-L193 HydrophobicContact CG2-CD2 3.93Å
189D80.1Confident75.7Confident52 Ų5267.8 Ų67.828%0.27832%0.319SS..  trans-86.196.1158.3-172.8-30.6000107I17 D191 E192 L193I17-D189 PolarHBondContact O-N 3.08Å; D189-D191 VanDerWaalsContact C-N 3.32Å; D189-D191 PolarHBondContact O-N 2.85Å; D189-D191 PolarHBondContact OD1-N 3.27Å; D189-E192 HydrophobicContact CB-CB 4.11Å; D189-E192 PolarHBondContact OD1-N 2.9Å; D189-E192 WeakPolarHBondContact OD2-CG 3.45Å; D189-L193 VanDerWaalsContact O-CB 3.25Å; D189-L193 WeakPolarHBondContact O-CB 3.43Å; D189-L193 PolarHBondContact O-N 3.2Å
190E75.7Confident75.5Confident124 Ų12465.6 Ų65.658%0.57931%0.309SS*.Hα-helixtrans-62.5-42.3-174.4-68.6-170.7174.400110.8I188 L193 F194I188-E190 HydrophobicContact CB-CG 4.45Å; I188-E190 HydrophobicContact CG2-CG 3.92Å; I188-E190 PolarHBondContact O-N 3.46Å; E190-L193 PolarHBondContact O-N 3.12Å; E190-F194 HydrophobicContact CB-CD2 4.28Å; E190-F194 HydrophobicContact CB-CE2 4.3Å; E190-F194 WeakPolarHBondContact O-CB 3.18Å; E190-F194 WeakPolarHBondContact O-CD2 3.28Å; E190-F194 PolarHBondContact O-N 3.35Å
191D78.8Confident75.3Confident133 Ų13369.4 Ų69.471%0.71133%0.329SS*.Hα-helixtrans-63.2-47.3-178.4-69.4-28.6000111.5D189 F194 C195D189-D191 VanDerWaalsContact C-N 3.32Å; D189-D191 PolarHBondContact O-N 2.85Å; D189-D191 PolarHBondContact OD1-N 3.27Å; D191-F194 PolarHBondContact O-N 3.39Å; D191-C195 VanDerWaalsContact O-CB 3.28Å; D191-C195 WeakPolarHBondContact O-CB 3.38Å; D191-C195 PolarHBondContact O-N 3.04Å
192E78.5Confident74.9Confident58 Ų5873.3 Ų73.327%0.27135%0.346SS..Hα-helixtrans-67.2-37.3175.7-77.6-73178.400111.5I17 D189 C195 L196I17-E192 HydrophobicContact CD1-CB 4.27Å; I17-E192 HydrophobicContact CG1-CB 4.13Å; D189-E192 HydrophobicContact CB-CB 4.11Å; D189-E192 PolarHBondContact OD1-N 2.9Å; D189-E192 WeakPolarHBondContact OD2-CG 3.45Å; E192-C195 PolarHBondContact O-N 2.73Å; E192-L196 WeakPolarHBondContact O-CB 3.33Å; E192-L196 PolarHBondContact O-N 3.01Å
193L77.1Confident74Confident11 Ų1179.7 Ų79.76%0.05837%0.372CS..Hα-helixtrans-63.7-45.1175.5-174.664.4000111.1I17 F155 L182 I188 D189 E190 L196 M197I17-L193 HydrophobicContact CG2-CB 3.68Å; I17-L193 HydrophobicContact CG2-CD1 3.87Å; I17-L193 HydrophobicContact CG2-CG 4.36Å; F155-L193 HydrophobicContact CE1-CD1 4.42Å; L182-L193 HydrophobicContact CD2-CD2 4.13Å; I188-L193 HydrophobicContact CG2-CB 4.49Å; I188-L193 HydrophobicContact CG2-CD2 3.93Å; D189-L193 VanDerWaalsContact O-CB 3.25Å; D189-L193 WeakPolarHBondContact O-CB 3.43Å; D189-L193 PolarHBondContact O-N 3.2Å; E190-L193 PolarHBondContact O-N 3.12Å; L193-L196 HydrophobicContact CD1-CD2 4.46Å; L193-L196 WeakPolarHBondContact O-CB 3.31Å; L193-L196 PolarHBondContact O-N 3.02Å; L193-M197 HydrophobicContact CG-SD 4.12Å; L193-M197 WeakPolarHBondContact O-CB 3.41Å; L193-M197 WeakPolarHBondContact O-CG 3.44Å; L193-M197 PolarHBondContact O-N 3.47Å
194F74.6Confident74.2Confident95 Ų9575.2 Ų75.242%0.41736%0.359SS..Hα-helixtrans-62.6-45.8175.4-84.6-66.5000111.4E190 D191 L196 M197 Y198E190-F194 HydrophobicContact CB-CD2 4.28Å; E190-F194 HydrophobicContact CB-CE2 4.3Å; E190-F194 WeakPolarHBondContact O-CB 3.18Å; E190-F194 WeakPolarHBondContact O-CD2 3.28Å; E190-F194 PolarHBondContact O-N 3.35Å; D191-F194 PolarHBondContact O-N 3.39Å; F194-L196 VanDerWaalsContact C-N 3.29Å; F194-L196 PolarHBondContact O-N 2.92Å; F194-M197 PolarHBondContact O-N 3.5Å; F194-Y198 WeakPolarHBondContact O-CB 3.13Å; F194-Y198 PolarHBondContact O-N 3.36Å
195C76.5Confident74.5Confident46 Ų4677.3 Ų77.331%0.31137%0.367SS..Hα-helixtrans-59.9-42.5177.4-1670000111.2D191 E192 K199D191-C195 VanDerWaalsContact O-CB 3.28Å; D191-C195 WeakPolarHBondContact O-CB 3.38Å; D191-C195 PolarHBondContact O-N 3.04Å; E192-C195 PolarHBondContact O-N 2.73Å; C195-K199 WeakPolarHBondContact O-CB 3.04Å; C195-K199 WeakPolarHBondContact O-CG 3.4Å; C195-K199 PolarHBondContact O-N 3.42Å; C195-K199 VanDerWaalsContact SG-CE 3.59Å; C195-K199 PolarHBondContact SG-NZ 2.84Å
196L76.6Confident74.7Confident6 Ų679.4 Ų79.43%0.03137%0.373CS..Hα-helixtrans-63.8-46.8176.6-175.181.4000111.6I17 I112 L114 I129 L150 F155 E192 L193 F194 K199 A200I17-L196 HydrophobicContact CD1-CB 4.47Å; I17-L196 HydrophobicContact CD1-CD1 4.4Å; I17-L196 HydrophobicContact CD1-CD2 3.93Å; I112-L196 HydrophobicContact CG2-CD2 4.5Å; L114-L196 HydrophobicContact CD1-CD1 3.86Å; I129-L196 HydrophobicContact CD1-CD2 3.78Å; L150-L196 HydrophobicContact CD1-CD1 3.43Å; L150-L196 VanDerWaalsContact CD1-CD1 3.43Å; L150-L196 HydrophobicContact CD1-CG 4.2Å; F155-L196 HydrophobicContact CE1-CD2 4.39Å; F155-L196 HydrophobicContact CE2-CD2 4.13Å; F155-L196 HydrophobicContact CE2-CG 4.1Å; F155-L196 HydrophobicContact CZ-CD2 3.51Å; F155-L196 HydrophobicContact CZ-CG 3.99Å; E192-L196 WeakPolarHBondContact O-CB 3.33Å; E192-L196 PolarHBondContact O-N 3.01Å; L193-L196 HydrophobicContact CD1-CD2 4.46Å; L193-L196 WeakPolarHBondContact O-CB 3.31Å; L193-L196 PolarHBondContact O-N 3.02Å; F194-L196 VanDerWaalsContact C-N 3.29Å; F194-L196 PolarHBondContact O-N 2.92Å; L196-K199 PolarHBondContact O-N 3.01Å; L196-A200 WeakPolarHBondContact O-CB 3.28Å; L196-A200 PolarHBondContact O-N 3.36Å
197M75.5Confident74.5Confident28 Ų2876 Ų7614%0.13836%0.36CS..Hα-helixtrans-59.8-47.8177.6-76.5175.45800111.2F155 C157 L193 F194 A200 N201F155-M197 HydrophobicContact CB-CB 4.42Å; F155-M197 HydrophobicContact CB-CG 3.99Å; F155-M197 HydrophobicContact CD1-CG 3.51Å; F155-M197 HydrophobicContact CD1-SD 4.39Å; F155-M197 HydrophobicContact CD2-CG 4.15Å; F155-M197 HydrophobicContact CE1-CG 3.92Å; F155-M197 HydrophobicContact CG-CB 4.3Å; F155-M197 HydrophobicContact CG-CG 3.63Å; F155-M197 HydrophobicContact CZ-CG 4.45Å; C157-M197 HydrophobicContact CB-CE 3.38Å; C157-M197 VanDerWaalsContact SG-CE 3.58Å; L193-M197 HydrophobicContact CG-SD 4.12Å; L193-M197 WeakPolarHBondContact O-CB 3.41Å; L193-M197 WeakPolarHBondContact O-CG 3.44Å; L193-M197 PolarHBondContact O-N 3.47Å; F194-M197 PolarHBondContact O-N 3.5Å; M197-A200 PolarHBondContact O-N 2.87Å; M197-N201 WeakPolarHBondContact O-CB 3.33Å; M197-N201 PolarHBondContact O-N 3.48Å; M197-N201 VanDerWaalsContact O-N 3.12Å
198Y76.3Confident74.4Confident149 Ų14975.6 Ų75.658%0.58436%0.359SS*.Hα-helixtrans-60-52177.9-173.6-101.3000111F194 A200 N201 Q202F194-Y198 WeakPolarHBondContact O-CB 3.13Å; F194-Y198 PolarHBondContact O-N 3.36Å; Y198-A200 VanDerWaalsContact C-N 3.33Å; Y198-A200 PolarHBondContact O-N 3.43Å; Y198-N201 PolarHBondContact O-N 2.79Å; Y198-Q202 HydrophobicContact CD1-CG 4.22Å; Y198-Q202 HydrophobicContact CE1-CG 4Å; Y198-Q202 VanDerWaalsContact CE1-OE1 3.28Å; Y198-Q202 HydrophobicContact CE2-CG 4.46Å; Y198-Q202 WeakPolarHBondContact O-CG 3.35Å; Y198-Q202 PolarHBondContact O-N 3.41Å; Y198-Q202 PolarHBondContact OH-NE2 2.87Å
199K75.4Confident74.1Confident101 Ų10178.1 Ų78.144%0.43937%0.37SS..Hα-helixtrans-62.7-36179.5-76.7174.7178.7159.50113.6L150 C195 L196 N201L150-K199 HydrophobicContact CD2-CB 4.09Å; C195-K199 WeakPolarHBondContact O-CB 3.04Å; C195-K199 WeakPolarHBondContact O-CG 3.4Å; C195-K199 PolarHBondContact O-N 3.42Å; C195-K199 VanDerWaalsContact SG-CE 3.59Å; C195-K199 PolarHBondContact SG-NZ 2.84Å; L196-K199 PolarHBondContact O-N 3.01Å; K199-N201 VanDerWaalsContact C-N 3.33Å
200A73Confident73.7Confident2 Ų279.9 Ų79.92%0.01738%0.376CS..Hα-helixtrans-72.6-27.9179.300000112.8L150 F155 L196 M197 Y198L150-A200 HydrophobicContact CD1-CB 4.28Å; F155-A200 HydrophobicContact CD2-CB 3.62Å; F155-A200 HydrophobicContact CE2-CB 3.74Å; L196-A200 WeakPolarHBondContact O-CB 3.28Å; L196-A200 PolarHBondContact O-N 3.36Å; M197-A200 PolarHBondContact O-N 2.87Å; Y198-A200 VanDerWaalsContact C-N 3.33Å; Y198-A200 PolarHBondContact O-N 3.43Å
201N72Confident73.5Confident80 Ų8076.5 Ų76.543%0.42836%0.361SS..Hα-helixtrans-93.7-17.8-178.4-73.4-10.7000114.1F155 M197 Y198 K199 K203F155-N201 PolarHBondContact N-OD1 2.97Å; F155-N201 PolarHBondContact O-ND2 3.21Å; F155-N201 PolarHBondContact O-OD1 2.96Å; M197-N201 WeakPolarHBondContact O-CB 3.33Å; M197-N201 PolarHBondContact O-N 3.48Å; M197-N201 VanDerWaalsContact O-N 3.12Å; Y198-N201 PolarHBondContact O-N 2.79Å; K199-N201 VanDerWaalsContact C-N 3.33Å; N201-K203 PolarHBondContact O-N 2.99Å
202Q67Low73.1Confident121 Ų12171.8 Ų71.857%0.56533%0.331SS*.  trans-73.641.4173.3-77.6-162.3-39.400114.6Y198Y198-Q202 HydrophobicContact CD1-CG 4.22Å; Y198-Q202 HydrophobicContact CE1-CG 4Å; Y198-Q202 VanDerWaalsContact CE1-OE1 3.28Å; Y198-Q202 HydrophobicContact CE2-CG 4.46Å; Y198-Q202 WeakPolarHBondContact O-CG 3.35Å; Y198-Q202 PolarHBondContact O-N 3.41Å; Y198-Q202 PolarHBondContact OH-NE2 2.87Å
203K54Low72.6Confident165 Ų16573.1 Ų73.172%0.71734%0.337SS*.  trans-77.60171.4-74.1176.3-179.7160.20111.4K151 I153 N201K151-K203 WeakPolarHBondContact O-CE 3.34Å; K151-K203 PolarHBondContact O-NZ 2.85Å; I153-K203 PolarHBondContact O-NZ 3.2Å; N201-K203 PolarHBondContact O-N 2.99Å

Retrieved 203 of 203 residues in 78.9 ms (Link to these results)

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