A0A077Z8Z4_TRITR Loading...

Major sperm protein

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

AlphaFold DB , UniProt , Accession A0A077Z8Z4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M71.1Confident90.9Very high246 Ų24688.8 Ų88.8100%1.21243%0.434SS*.  0143.80-68.6174178.200108.4
2A78.5Confident91.4Very high49 Ų4990.9 Ų90.941%0.40545%0.446SS..PPolyproline II helixtrans-73.6136.5174.800000110.4F111A2-F111 HydrophobicContact CB-CE2 4.11Å; A2-F111 HydrophobicContact CB-CZ 4.16Å
3R84.9Confident91.9Very high168 Ų16890.8 Ų90.863%0.63444%0.444SS*.PPolyproline II helixtrans-75.7129.4174.3-68.8-176.5178.5175.80.2109.7E36 V92 F111R3-E36 VanDerWaalsContact CD-OE2 3.22Å; R3-E36 WeakPolarHBondContact CD-OE2 3.45Å; R3-E36 IonicContact CZ-OE1 3.87Å; R3-E36 IonicContact CZ-OE2 2.7Å; R3-E36 IonicContact NE-OE2 3.79Å; R3-E36 IonicContact NH1-OE1 2.93Å; R3-E36 PolarHBondContact NH1-OE1 3.12Å; R3-E36 IonicContact NH1-OE2 3.49Å; R3-E36 PolarHBondContact NH1-OE2 3.47Å; R3-V92 HydrophobicContact CB-CG2 4.32Å; R3-V92 WeakPolarHBondContact O-CG2 3.24Å; R3-F111 WeakPolarHBondContact O-CE2 3.49Å
4R90.9Very high92.2Very high185 Ų18584.6 Ų84.670%0.69841%0.414SS*.PPolyproline II helixtrans-89.1120.9174.9-171.5176.2-178.8179.5-0.8109.4F111R4-F111 HydrophobicContact CB-CD2 4.5Å; R4-F111 HydrophobicContact CB-CE1 3.98Å; R4-F111 HydrophobicContact CB-CE2 3.98Å; R4-F111 HydrophobicContact CB-CZ 3.69Å; R4-F111 HydrophobicContact CG-CD1 4.08Å; R4-F111 HydrophobicContact CG-CD2 4.38Å; R4-F111 HydrophobicContact CG-CE1 4.02Å; R4-F111 HydrophobicContact CG-CE2 4.34Å; R4-F111 HydrophobicContact CG-CG 4.27Å; R4-F111 HydrophobicContact CG-CZ 4.15Å
5A91.2Very high92.3Very high11 Ų1185 Ų859%0.09142%0.419CS..PPolyproline II helixtrans-72.4147.1171.700000111.2I7 T38 Y90 V92A5-I7 HydrophobicContact CB-CD1 3.72Å; A5-I7 HydrophobicContact CB-CG1 3.79Å; A5-I7 PolarHBondContact O-N 3.42Å; A5-T38 HydrophobicContact CB-CG2 4.32Å; A5-T38 WeakPolarHBondContact CB-OG1 3.14Å; A5-Y90 HydrophobicContact CB-CD2 4.33Å; A5-Y90 HydrophobicContact CB-CE2 4.35Å; A5-V92 HydrophobicContact CB-CG2 3.9Å
6S95.5Very high92.4Very high64 Ų6480.1 Ų80.145%0.44839%0.394SS..  trans-81102.3167.6-165.30000108.8E33S6-E33 PolarHBondContact O-N 3.3Å; S6-E33 PolarHBondContact OG-OE2 3Å
7I97.1Very high92.2Very high14 Ų1481 Ų817%0.07240%0.395CS..EExtended strand (participates in β ladder)trans-117.3120-175.6-58.5-52.8000110.9A5 V9 I30 T31 N32 T38 F40 Y90 K113A5-I7 HydrophobicContact CB-CD1 3.72Å; A5-I7 HydrophobicContact CB-CG1 3.79Å; A5-I7 PolarHBondContact O-N 3.42Å; I7-V9 HydrophobicContact CG2-CG2 4.13Å; I7-I30 HydrophobicContact CG2-CG2 3.92Å; I7-T31 WeakPolarHBondContact CA-O 3.09Å; I7-N32 HydrophobicContact CD1-CB 3.88Å; I7-N32 WeakPolarHBondContact CD1-OD1 3.42Å; I7-T38 HydrophobicContact CD1-CG2 4.07Å; I7-T38 HydrophobicContact CG1-CG2 4.47Å; I7-F40 HydrophobicContact CB-CZ 4.45Å; I7-F40 HydrophobicContact CD1-CE2 4.38Å; I7-F40 HydrophobicContact CD1-CZ 3.8Å; I7-F40 HydrophobicContact CG1-CZ 3.94Å; I7-F40 HydrophobicContact CG2-CE1 3.87Å; I7-F40 HydrophobicContact CG2-CZ 3.64Å; I7-Y90 HydrophobicContact CB-CE2 4.42Å; I7-Y90 HydrophobicContact CG1-CD2 3.7Å; I7-Y90 HydrophobicContact CG1-CE2 3.78Å; I7-Y90 HydrophobicContact CG1-CG 4.31Å; I7-K113 PolarHBondContact O-NZ 2.88Å
8N97.6Very high91.8Very high48 Ų4877.2 Ų77.226%0.25738%0.378SS..EExtended strand (participates in β ladder)trans-94.8144.3170.3-142.8-31.8000110.5I30 T31 E33N8-I30 WeakPolarHBondContact O-CA 3.35Å; N8-T31 PolarHBondContact N-O 2.86Å; N8-T31 PolarHBondContact O-N 3.32Å; N8-E33 WeakPolarHBondContact CB-OE1 3.36Å; N8-E33 PolarHBondContact ND2-OE1 2.84Å
9V97.7Very high90.7Very high1 Ų177.3 Ų77.31%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-140.2128175.6-1770000107.1I7 L28 S29 I30 K113 V115I7-V9 HydrophobicContact CG2-CG2 4.13Å; V9-L28 HydrophobicContact CG1-CD1 3.87Å; V9-L28 HydrophobicContact CG1-CD2 3.95Å; V9-L28 HydrophobicContact CG1-CG 3.96Å; V9-S29 CarbonylContact C-O 3.56Å; V9-S29 WeakPolarHBondContact CA-O 3.49Å; V9-I30 HydrophobicContact CG1-CG1 4.3Å; V9-I30 HydrophobicContact CG2-CG1 4.19Å; V9-I30 HydrophobicContact CG2-CG2 4.37Å; V9-K113 HydrophobicContact CB-CD 4.35Å; V9-K113 HydrophobicContact CG2-CD 3.75Å; V9-K113 HydrophobicContact CG2-CG 4.25Å; V9-V115 HydrophobicContact CG1-CG2 3.71Å
10K97.8Very high89.6Confident136 Ų13675.4 Ų75.459%0.59138%0.377SS*.EExtended strand (participates in β ladder)trans-139.2133.4-179.2-66.8-174.1178.2-177.40110.3L28 S29K10-L28 CarbonylContact O-C 3.59Å; K10-L28 WeakPolarHBondContact O-CA 3.43Å; K10-S29 PolarHBondContact N-O 2.85Å; K10-S29 PolarHBondContact O-N 3.23Å
11P98Very high89Confident55 Ų5575 Ų7536%0.35739%0.392SS..  cis-71.6166.9-4.334.6-37.8000112E13 I14 A27P11-E13 VanDerWaalsContact CB-O 3.23Å; P11-E13 WeakPolarHBondContact CB-O 3.43Å; P11-E13 VanDerWaalsContact CG-O 3.22Å; P11-E13 WeakPolarHBondContact CG-O 3.23Å; P11-I14 HydrophobicContact CG-CG1 4.02Å; P11-A27 WeakPolarHBondContact CD-O 3.29Å
12I96.9Very high89.6Confident114 Ų11467.6 Ų67.659%0.58536%0.361SS*.SBendtrans-83.5-17.7171.457.3169.7000112.6V115 E116I12-V115 WeakPolarHBondContact O-CA 3.42Å; I12-V115 WeakPolarHBondContact O-CG1 3.5Å; I12-E116 PolarHBondContact O-N 3.25Å; I12-E116 VanDerWaalsContact O-N 3.1Å
13E97.2Very high90.3Very high89 Ų8968.8 Ų68.842%0.41636%0.358SS..EExtended strand (participates in β ladder)trans-132.5137.6179.6-72.1167.2-142.300109P11 E116P11-E13 VanDerWaalsContact CB-O 3.23Å; P11-E13 WeakPolarHBondContact CB-O 3.43Å; P11-E13 VanDerWaalsContact CG-O 3.22Å; P11-E13 WeakPolarHBondContact CG-O 3.23Å; E13-E116 CarbonylContact C-O 3.58Å; E13-E116 WeakPolarHBondContact CA-O 3.45Å; E13-E116 HydrophobicContact CG-CB 4.4Å
14I96.5Very high90.7Very high5 Ų562 Ų623%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-116.9134.3172.9-65.5172.8000107.4P11 F16 A26 L28 V68 V115 E116 V117 H118P11-I14 HydrophobicContact CG-CG1 4.02Å; I14-F16 HydrophobicContact CG2-CD2 4.07Å; I14-F16 HydrophobicContact CG2-CE1 4.22Å; I14-F16 HydrophobicContact CG2-CE2 3.63Å; I14-F16 HydrophobicContact CG2-CZ 3.72Å; I14-A26 HydrophobicContact CD1-CB 4.34Å; I14-A26 HydrophobicContact CG1-CB 4.4Å; I14-A26 HydrophobicContact CG2-CB 3.46Å; I14-A26 VanDerWaalsContact CG2-CB 3.46Å; I14-L28 HydrophobicContact CD1-CD1 4.02Å; I14-V68 HydrophobicContact CD1-CB 4.14Å; I14-V68 HydrophobicContact CD1-CG1 4.31Å; I14-V68 HydrophobicContact CD1-CG2 3.75Å; I14-V115 HydrophobicContact CD1-CG1 4.01Å; I14-V115 HydrophobicContact CG1-CG1 4.04Å; I14-E116 PolarHBondContact N-O 3.48Å; I14-V117 HydrophobicContact CB-CG1 4.49Å; I14-V117 HydrophobicContact CB-CG2 4.34Å; I14-V117 HydrophobicContact CG2-CG1 4.42Å; I14-V117 CarbonylContact O-C 3.52Å; I14-V117 WeakPolarHBondContact O-CA 3.34Å; I14-H118 PolarHBondContact O-N 3.27Å
15N94.5Very high91Very high90 Ų9059.2 Ų59.248%0.48133%0.326SS..EExtended strand (participates in β ladder)trans-110.9125.7175.8-65.4-91.3000109.6H118 K120N15-H118 CarbonylContact C-O 3.53Å; N15-H118 WeakPolarHBondContact CA-O 3.48Å; N15-K120 PolarHBondContact OD1-NZ 3.18Å; N15-K120 VanDerWaalsContact OD1-NZ 3.12Å
16F93.6Very high91.3Very high6 Ų659.6 Ų59.63%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-116.9156.1170.1-68.8-56.5000110.2I14 Q24 A26 V68 C70 V117 H118 F119 K120I14-F16 HydrophobicContact CG2-CD2 4.07Å; I14-F16 HydrophobicContact CG2-CE1 4.22Å; I14-F16 HydrophobicContact CG2-CE2 3.63Å; I14-F16 HydrophobicContact CG2-CZ 3.72Å; F16-Q24 HydrophobicContact CD1-CB 3.61Å; F16-Q24 HydrophobicContact CE1-CB 3.9Å; F16-A26 HydrophobicContact CE1-CB 3.95Å; F16-A26 HydrophobicContact CZ-CB 3.89Å; F16-V68 HydrophobicContact CE2-CG1 4.24Å; F16-V68 HydrophobicContact CZ-CG1 4.14Å; F16-C70 HydrophobicContact CD1-CB 4.06Å; F16-C70 HydrophobicContact CD2-CB 3.67Å; F16-C70 HydrophobicContact CE1-CB 4.02Å; F16-C70 HydrophobicContact CE2-CB 3.64Å; F16-C70 HydrophobicContact CG-CB 3.9Å; F16-C70 HydrophobicContact CZ-CB 3.82Å; F16-V117 HydrophobicContact CD2-CG1 3.46Å; F16-V117 VanDerWaalsContact CD2-CG1 3.46Å; F16-V117 HydrophobicContact CE2-CG1 3.7Å; F16-H118 PolarHBondContact N-O 2.86Å; F16-F119 HydrophobicContact CB-CD1 4.12Å; F16-F119 HydrophobicContact CB-CE1 4.13Å; F16-F119 HydrophobicContact CD2-CE1 4.45Å; F16-F119 HydrophobicContact CD2-CZ 4.39Å; F16-F119 WeakPolarHBondContact O-CA 3.44Å; F16-K120 PolarHBondContact O-N 2.79Å
17K89.3Confident91.4Very high96 Ų9660 Ų6042%0.41734%0.337SS..EExtended strand (participates in β ladder)trans-86.4129.4178.3-55.3-176.2170.3-147.10110C20 Q24 K120 T122K17-C20 HydrophobicContact CB-CB 4.17Å; K17-Q24 PolarHBondContact O-NE2 3.02Å; K17-K120 WeakPolarHBondContact CA-O 3.44Å; K17-T122 WeakPolarHBondContact CD-OG1 3.44Å; K17-T122 WeakPolarHBondContact CE-OG1 3.24Å; K17-T122 VanDerWaalsContact CG-OG1 3.28Å; K17-T122 WeakPolarHBondContact CG-OG1 3.11Å; K17-T122 PolarHBondContact NZ-OG1 3.44Å; K17-T122 VanDerWaalsContact NZ-OG1 3.12Å
18T84.5Confident91.4Very high12 Ų1259.4 Ų59.47%0.07433%0.334CS..THydrogen-bonded Turntrans-63.1-40.9179.148.20000113.4W79 E80 F119 K120T18-W79 VanDerWaalsContact CB-O 3.29Å; T18-W79 WeakPolarHBondContact CB-O 3.33Å; T18-W79 WeakPolarHBondContact CG2-O 3.46Å; T18-W79 PolarHBondContact OG1-O 2.85Å; T18-E80 WeakPolarHBondContact CG2-O 3.38Å; T18-F119 HydrophobicContact CG2-CB 3.78Å; T18-K120 PolarHBondContact N-O 3.1Å
19T71.5Confident91.5Very high80 Ų8058.1 Ų58.149%0.49133%0.329SS..THydrogen-bonded Turntrans-94.77.4-169.250.10000115G21T19-G21 PolarHBondContact O-N 3.24Å
20C67.5Low91.5Very high39 Ų3958 Ų5826%0.26433%0.328SS..  trans-79.9107.3179.2-1160000110.8K17 V22 Q24 A72K17-C20 HydrophobicContact CB-CB 4.17Å; C20-V22 HydrophobicContact CB-CG2 4.14Å; C20-V22 PolarHBondContact O-N 2.96Å; C20-Q24 HydrophobicContact CB-CG 4.13Å; C20-Q24 VanDerWaalsContact CB-NE2 3.32Å; C20-A72 WeakPolarHBondContact O-CB 3.33Å
21G77.8Confident91.5Very high67 Ų6753.6 Ų53.669%0.69131%0.313SS*.  trans-69.118.2170.900000115.2T19T19-G21 PolarHBondContact O-N 3.24Å
22V84.3Confident91.5Very high91 Ų9151 Ų5155%0.55230%0.296SS*.SBendtrans-130.2156.6-174.3-65.30000110.9C20 Q24C20-V22 HydrophobicContact CB-CG2 4.14Å; C20-V22 PolarHBondContact O-N 2.96Å; V22-Q24 PolarHBondContact O-N 3.07Å
23E91.8Very high91.6Very high74 Ų7449.8 Ų49.835%0.34629%0.288SS..  trans-59.9121.2174.3-175.2-170.3151.500110.9K25 F69 W71E23-K25 WeakPolarHBondContact OE1-CE 3.14Å; E23-K25 IonicContact OE1-NZ 2.67Å; E23-K25 PolarHBondContact OE1-NZ 3.13Å; E23-F69 VanDerWaalsContact OE1-CD1 3.25Å; E23-F69 WeakPolarHBondContact OE1-CD1 3.45Å; E23-W71 HydrophobicContact CB-CE3 4.16Å; E23-W71 HydrophobicContact CB-CH2 4.48Å; E23-W71 HydrophobicContact CB-CZ3 3.91Å; E23-W71 HydrophobicContact CG-CD2 4.46Å; E23-W71 HydrophobicContact CG-CE3 4.06Å; E23-W71 HydrophobicContact CG-CH2 3.86Å; E23-W71 HydrophobicContact CG-CZ2 4.27Å; E23-W71 HydrophobicContact CG-CZ3 3.75Å; E23-W71 VanDerWaalsContact OE2-CH2 3.22Å; E23-W71 WeakPolarHBondContact OE2-CH2 3.38Å; E23-W71 WeakPolarHBondContact OE2-CZ3 3.33Å
24Q94Very high91.5Very high26 Ų2646.2 Ų46.212%0.12127%0.274CS..EExtended strand (participates in β ladder)trans-105149.1177-66176.875.400110.8F16 K17 C20 V22 F69 C70F16-Q24 HydrophobicContact CD1-CB 3.61Å; F16-Q24 HydrophobicContact CE1-CB 3.9Å; K17-Q24 PolarHBondContact O-NE2 3.02Å; C20-Q24 HydrophobicContact CB-CG 4.13Å; C20-Q24 VanDerWaalsContact CB-NE2 3.32Å; V22-Q24 PolarHBondContact O-N 3.07Å; Q24-F69 CarbonylContact O-C 3.53Å; Q24-F69 WeakPolarHBondContact O-CA 3.22Å; Q24-C70 HydrophobicContact CB-CB 4.36Å; Q24-C70 PolarHBondContact N-O 2.82Å; Q24-C70 PolarHBondContact O-N 2.53Å
25K96.7Very high91.5Very high125 Ų12552.4 Ų52.454%0.54331%0.308SS..EExtended strand (participates in β ladder)trans-133.2137.5-175.3-53.4-174.3-168.2-153.80110.9E23 T67 V68 F69E23-K25 WeakPolarHBondContact OE1-CE 3.14Å; E23-K25 IonicContact OE1-NZ 2.67Å; E23-K25 PolarHBondContact OE1-NZ 3.13Å; K25-T67 HydrophobicContact CB-CG2 4.24Å; K25-V68 CarbonylContact C-O 3.57Å; K25-V68 WeakPolarHBondContact CA-O 3.27Å; K25-F69 HydrophobicContact CD-CD1 3.99Å; K25-F69 HydrophobicContact CD-CE1 3.83Å; K25-F69 HydrophobicContact CG-CD1 3.92Å; K25-F69 HydrophobicContact CG-CE1 4.24Å
26A97.3Very high91.5Very high20 Ų2051.6 Ų51.617%0.16530%0.301CS..EExtended strand (participates in β ladder)trans-129.3136.5170.400000109.8I14 F16 V68I14-A26 HydrophobicContact CD1-CB 4.34Å; I14-A26 HydrophobicContact CG1-CB 4.4Å; I14-A26 HydrophobicContact CG2-CB 3.46Å; I14-A26 VanDerWaalsContact CG2-CB 3.46Å; F16-A26 HydrophobicContact CE1-CB 3.95Å; F16-A26 HydrophobicContact CZ-CB 3.89Å; A26-V68 PolarHBondContact N-O 3.34Å; A26-V68 PolarHBondContact O-N 2.67Å
27A97.8Very high91.7Very high73 Ų7351.8 Ų51.860%0.60330%0.304SS*.EExtended strand (participates in β ladder)trans-86138173.300000110.3P11P11-A27 WeakPolarHBondContact CD-O 3.29Å
28L97.9Very high92.1Very high0 Ų047.2 Ų47.20%028%0.284CS..EExtended strand (participates in β ladder)trans-136.7126.7178.3174.4146.5000109.8V9 K10 I14 I30 L66 V68 F88 V115V9-L28 HydrophobicContact CG1-CD1 3.87Å; V9-L28 HydrophobicContact CG1-CD2 3.95Å; V9-L28 HydrophobicContact CG1-CG 3.96Å; K10-L28 CarbonylContact O-C 3.59Å; K10-L28 WeakPolarHBondContact O-CA 3.43Å; I14-L28 HydrophobicContact CD1-CD1 4.02Å; L28-I30 HydrophobicContact CD2-CD1 3.97Å; L28-I30 HydrophobicContact CD2-CG1 3.59Å; L28-L66 HydrophobicContact CD2-CB 4.33Å; L28-L66 HydrophobicContact CD2-CD1 3.99Å; L28-L66 PolarHBondContact N-O 2.93Å; L28-L66 PolarHBondContact O-N 3.21Å; L28-V68 HydrophobicContact CB-CG2 4.23Å; L28-F88 HydrophobicContact CD1-CE2 4Å; L28-F88 HydrophobicContact CD1-CZ 3.83Å; L28-F88 HydrophobicContact CD2-CE1 4.07Å; L28-F88 HydrophobicContact CD2-CE2 4.37Å; L28-F88 HydrophobicContact CD2-CZ 3.64Å; L28-F88 HydrophobicContact CG-CZ 4.43Å; L28-V115 HydrophobicContact CD1-CB 4.45Å; L28-V115 HydrophobicContact CD1-CG1 4.09Å; L28-V115 HydrophobicContact CD1-CG2 4.02Å
29S98.2Very high92.7Very high21 Ų2146.7 Ų46.715%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-101.2132178.9-173.20000110.6V9 K10 L64V9-S29 CarbonylContact C-O 3.56Å; V9-S29 WeakPolarHBondContact CA-O 3.49Å; K10-S29 PolarHBondContact N-O 2.85Å; K10-S29 PolarHBondContact O-N 3.23Å; S29-L64 WeakPolarHBondContact CA-O 3.37Å
30I98.3Very high94Very high0 Ų042.9 Ų42.90%026%0.257CS..EExtended strand (participates in β ladder)trans-116122.1171.5-56.6-172.7000108.6I7 N8 V9 L28 F40 F56 S63 L64 L66 F88I7-I30 HydrophobicContact CG2-CG2 3.92Å; N8-I30 WeakPolarHBondContact O-CA 3.35Å; V9-I30 HydrophobicContact CG1-CG1 4.3Å; V9-I30 HydrophobicContact CG2-CG1 4.19Å; V9-I30 HydrophobicContact CG2-CG2 4.37Å; L28-I30 HydrophobicContact CD2-CD1 3.97Å; L28-I30 HydrophobicContact CD2-CG1 3.59Å; I30-F40 HydrophobicContact CD1-CD1 4.31Å; I30-F40 HydrophobicContact CD1-CE1 4.34Å; I30-F40 HydrophobicContact CG2-CE1 3.79Å; I30-F40 HydrophobicContact CG2-CE2 4.15Å; I30-F40 HydrophobicContact CG2-CZ 3.55Å; I30-F56 HydrophobicContact CD1-CE2 4.18Å; I30-F56 HydrophobicContact CD1-CZ 3.75Å; I30-S63 CarbonylContact O-C 3.59Å; I30-S63 WeakPolarHBondContact O-CA 3.05Å; I30-L64 PolarHBondContact N-O 2.8Å; I30-L64 PolarHBondContact O-N 3.25Å; I30-L66 HydrophobicContact CD1-CD1 3.61Å; I30-L66 HydrophobicContact CG1-CD1 4.17Å; I30-F88 HydrophobicContact CD1-CD1 3.58Å; I30-F88 HydrophobicContact CD1-CE1 3.65Å; I30-F88 HydrophobicContact CD1-CG 4.32Å; I30-F88 HydrophobicContact CD1-CZ 4.43Å
31T98.4Very high95.5Very high43 Ų4343.8 Ų43.826%0.26426%0.257SS..EExtended strand (participates in β ladder)trans-109.9127.8175.9-51.10000109.7I7 N8 E33 S62I7-T31 WeakPolarHBondContact CA-O 3.09Å; N8-T31 PolarHBondContact N-O 2.86Å; N8-T31 PolarHBondContact O-N 3.32Å; T31-E33 HydrophobicContact CG2-CG 4.02Å; T31-S62 WeakPolarHBondContact CA-O 3.4Å
32N98.1Very high96.5Very high0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-92.5102.9166.6-179.313.7000108.5I7 G34 E36 T38 V58 Q59 N61 S62I7-N32 HydrophobicContact CD1-CB 3.88Å; I7-N32 WeakPolarHBondContact CD1-OD1 3.42Å; N32-G34 WeakPolarHBondContact OD1-CA 3.43Å; N32-G34 PolarHBondContact OD1-N 3.4Å; N32-E36 PolarHBondContact ND2-O 3.39Å; N32-T38 PolarHBondContact ND2-OG1 3.02Å; N32-V58 HydrophobicContact CB-CB 4.07Å; N32-V58 HydrophobicContact CB-CG1 3.61Å; N32-V58 PolarHBondContact ND2-O 2.75Å; N32-Q59 WeakPolarHBondContact CB-O 3.39Å; N32-Q59 PolarHBondContact ND2-O 3.06Å; N32-N61 WeakPolarHBondContact O-CA 3.4Å; N32-N61 PolarHBondContact O-N 2.8Å; N32-S62 PolarHBondContact N-O 2.84Å; N32-S62 PolarHBondContact O-N 2.82Å
33E97.6Very high97.1Very high89 Ų8942.1 Ų42.142%0.41623%0.225SC..  trans-86.66.1175.7-58164.417100111.2S6 N8 T31S6-E33 PolarHBondContact O-N 3.3Å; S6-E33 PolarHBondContact OG-OE2 3Å; N8-E33 WeakPolarHBondContact CB-OE1 3.36Å; N8-E33 PolarHBondContact ND2-OE1 2.84Å; T31-E33 HydrophobicContact CG2-CG 4.02Å
34G95.9Very high97.3Very high13 Ų1341.3 Ų41.313%0.13423%0.225CC..SBendtrans-87.7161.1175.500000113.5N32 E36 P60 N61N32-G34 WeakPolarHBondContact OD1-CA 3.43Å; N32-G34 PolarHBondContact OD1-N 3.4Å; G34-E36 VanDerWaalsContact C-N 3.32Å; G34-P60 VanDerWaalsContact O-CA 3.24Å; G34-P60 WeakPolarHBondContact O-CA 3.4Å; G34-P60 WeakPolarHBondContact O-CB 3.21Å; G34-N61 PolarHBondContact O-N 2.91Å
35N95.5Very high97.1Very high136 Ų13643.5 Ų43.573%0.72724%0.243SC*.SBendtrans-83.8-2.1177.2-65.9-35000114.1P60N35-P60 WeakPolarHBondContact O-CG 3.36Å
36E96.2Very high96.9Very high72 Ų7237.8 Ų37.834%0.33622%0.218SC..SBendtrans-122.3148.2-178-58.4-173.3113.700109.8R3 N32 G34 V92R3-E36 VanDerWaalsContact CD-OE2 3.22Å; R3-E36 WeakPolarHBondContact CD-OE2 3.45Å; R3-E36 IonicContact CZ-OE1 3.87Å; R3-E36 IonicContact CZ-OE2 2.7Å; R3-E36 IonicContact NE-OE2 3.79Å; R3-E36 IonicContact NH1-OE1 2.93Å; R3-E36 PolarHBondContact NH1-OE1 3.12Å; R3-E36 IonicContact NH1-OE2 3.49Å; R3-E36 PolarHBondContact NH1-OE2 3.47Å; N32-E36 PolarHBondContact ND2-O 3.39Å; G34-E36 VanDerWaalsContact C-N 3.32Å; E36-V92 HydrophobicContact CB-CG1 3.58Å; E36-V92 HydrophobicContact CG-CG1 4.29Å
37A96.9Very high96.6Very high11 Ų1142 Ų429%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-66.7142179.200000110.4V93 A96A37-V93 PolarHBondContact O-N 2.7Å; A37-A96 HydrophobicContact CB-CB 4.21Å
38T97.8Very high96.3Very high0 Ų040.1 Ų40.10%022%0.224CC..EExtended strand (participates in β ladder)trans-120.4127.2-177.2-600000110.8A5 I7 N32 F40 F57 V58 Y90 A91A5-T38 HydrophobicContact CB-CG2 4.32Å; A5-T38 WeakPolarHBondContact CB-OG1 3.14Å; I7-T38 HydrophobicContact CD1-CG2 4.07Å; I7-T38 HydrophobicContact CG1-CG2 4.47Å; N32-T38 PolarHBondContact ND2-OG1 3.02Å; T38-F40 HydrophobicContact CG2-CD2 4.1Å; T38-F40 HydrophobicContact CG2-CE2 3.51Å; T38-F40 HydrophobicContact CG2-CZ 3.86Å; T38-F57 CarbonylContact O-C 3.51Å; T38-F57 VanDerWaalsContact O-CA 3.32Å; T38-F57 WeakPolarHBondContact O-CA 3.29Å; T38-V58 PolarHBondContact N-O 3.09Å; T38-V58 PolarHBondContact O-N 3.31Å; T38-Y90 HydrophobicContact CG2-CD2 4.16Å; T38-Y90 HydrophobicContact CG2-CG 4.47Å; T38-A91 WeakPolarHBondContact CA-O 3.5Å
39A98.1Very high96.1Very high0 Ų040.3 Ų40.30%023%0.225CC..EExtended strand (participates in β ladder)trans-81.7142.6169.200000110.7F57 Y90 A91 V93 F103 W104A39-F57 HydrophobicContact CB-CD1 3.7Å; A39-F57 HydrophobicContact CB-CE1 3.68Å; A39-Y90 WeakPolarHBondContact O-CA 3.19Å; A39-A91 PolarHBondContact N-O 3.48Å; A39-A91 PolarHBondContact O-N 3.32Å; A39-V93 HydrophobicContact CB-CG2 3.61Å; A39-F103 HydrophobicContact CB-CD1 3.46Å; A39-F103 VanDerWaalsContact CB-CD1 3.46Å; A39-F103 HydrophobicContact CB-CE1 3.46Å; A39-F103 VanDerWaalsContact CB-CE1 3.46Å; A39-F103 HydrophobicContact CB-CG 4.2Å; A39-F103 HydrophobicContact CB-CZ 4.18Å; A39-W104 HydrophobicContact CB-CZ2 4.41Å
40F98.3Very high96Very high0 Ų042 Ų420%023%0.234CC..EExtended strand (participates in β ladder)trans-123.7149.9175.4-74.6-94.3000111.8I7 I30 T38 H55 F56 V58 F88 L89 Y90 W104I7-F40 HydrophobicContact CB-CZ 4.45Å; I7-F40 HydrophobicContact CD1-CE2 4.38Å; I7-F40 HydrophobicContact CD1-CZ 3.8Å; I7-F40 HydrophobicContact CG1-CZ 3.94Å; I7-F40 HydrophobicContact CG2-CE1 3.87Å; I7-F40 HydrophobicContact CG2-CZ 3.64Å; I30-F40 HydrophobicContact CD1-CD1 4.31Å; I30-F40 HydrophobicContact CD1-CE1 4.34Å; I30-F40 HydrophobicContact CG2-CE1 3.79Å; I30-F40 HydrophobicContact CG2-CE2 4.15Å; I30-F40 HydrophobicContact CG2-CZ 3.55Å; T38-F40 HydrophobicContact CG2-CD2 4.1Å; T38-F40 HydrophobicContact CG2-CE2 3.51Å; T38-F40 HydrophobicContact CG2-CZ 3.86Å; F40-H55 WeakPolarHBondContact O-CA 3.29Å; F40-F56 HydrophobicContact CB-CD1 4.22Å; F40-F56 HydrophobicContact CB-CD2 3.8Å; F40-F56 HydrophobicContact CB-CE1 3.77Å; F40-F56 HydrophobicContact CB-CE2 3.31Å; F40-F56 HydrophobicContact CB-CG 4.22Å; F40-F56 HydrophobicContact CB-CZ 3.25Å; F40-F56 HydrophobicContact CD1-CE2 4.2Å; F40-F56 HydrophobicContact CD1-CZ 4.15Å; F40-F56 HydrophobicContact CD2-CD2 4.03Å; F40-F56 AromaticContact CD2-CE2 3.52Å; F40-F56 HydrophobicContact CD2-CE2 3.52Å; F40-F56 HydrophobicContact CD2-CZ 4.24Å; F40-F56 HydrophobicContact CE2-CE2 4.38Å; F40-F56 HydrophobicContact CG-CD2 4.16Å; F40-F56 AromaticContact CG-CE2 3.4Å; F40-F56 HydrophobicContact CG-CE2 3.4Å; F40-F56 VanDerWaalsContact CG-CE2 3.4Å; F40-F56 AromaticContact CG-CZ 3.63Å; F40-F56 HydrophobicContact CG-CZ 3.63Å; F40-F56 PolarHBondContact N-O 3.1Å; F40-F56 PolarHBondContact O-N 3.21Å; F40-V58 HydrophobicContact CD2-CB 4.43Å; F40-V58 HydrophobicContact CD2-CG2 3.76Å; F40-V58 HydrophobicContact CE2-CB 3.99Å; F40-V58 HydrophobicContact CE2-CG2 3.61Å; F40-F88 HydrophobicContact CD1-CB 4.41Å; F40-L89 CarbonylContact C-O 3.58Å; F40-L89 VanDerWaalsContact CA-O 3.3Å; F40-L89 WeakPolarHBondContact CA-O 3.44Å; F40-Y90 HydrophobicContact CE1-CG 4.26Å; F40-W104 VanDerWaalsContact C-NE1 3.26Å; F40-W104 PolarHBondContact O-NE1 2.96Å
41K98.2Very high96Very high58 Ų5842.9 Ų42.925%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-139.9123.9167.8170.9169-172160.30109.5P54 H55 L89 W104K41-P54 WeakPolarHBondContact CA-O 3.27Å; K41-H55 WeakPolarHBondContact CD-NE2 3.45Å; K41-H55 VanDerWaalsContact CE-NE2 3.33Å; K41-H55 WeakPolarHBondContact CE-NE2 3.43Å; K41-L89 HydrophobicContact CB-CB 4.32Å; K41-L89 PolarHBondContact N-O 2.88Å; K41-L89 PolarHBondContact O-N 2.97Å; K41-W104 HydrophobicContact CB-CD2 3.79Å; K41-W104 VanDerWaalsContact CB-CE2 3.41Å; K41-W104 HydrophobicContact CB-CE3 4.42Å; K41-W104 HydrophobicContact CB-CG 4.11Å; K41-W104 HydrophobicContact CB-CH2 4.4Å; K41-W104 HydrophobicContact CB-CZ2 3.76Å; K41-W104 HydrophobicContact CD-CB 4.4Å; K41-W104 HydrophobicContact CD-CD2 4.11Å; K41-W104 HydrophobicContact CD-CE3 4.39Å; K41-W104 HydrophobicContact CD-CG 4.09Å
42V98Very high95.9Very high19 Ų1944 Ų4412%0.11524%0.244CC..EExtended strand (participates in β ladder)trans-87.3140.7177.9-166.80000109.9V51 P54 F56 L86 R87 F88V42-V51 HydrophobicContact CG1-CB 4.36Å; V42-V51 HydrophobicContact CG1-CG2 3.9Å; V42-V51 HydrophobicContact CG2-CG1 4.45Å; V42-P54 PolarHBondContact N-O 2.84Å; V42-F56 HydrophobicContact CG2-CE1 3.96Å; V42-L86 HydrophobicContact CG1-CD1 3.56Å; V42-L86 HydrophobicContact CG1-CG 4.14Å; V42-R87 CarbonylContact C-O 3.59Å; V42-F88 HydrophobicContact CG1-CE1 4.18Å; V42-F88 HydrophobicContact CG2-CD1 3.95Å; V42-F88 HydrophobicContact CG2-CE1 3.81Å
43K97.6Very high95.8Very high105 Ų10547.5 Ų47.546%0.45726%0.262SS..EExtended strand (participates in β ladder)trans-135.4147.7168.5-68.9-176.7176.6178.30109.4R87 L89K43-R87 HydrophobicContact CB-CB 4.32Å; K43-R87 PolarHBondContact N-O 3.37Å; K43-R87 PolarHBondContact O-N 2.76Å; K43-L89 HydrophobicContact CD-CD1 3.91Å; K43-L89 HydrophobicContact CG-CD1 4.5Å
44T96.3Very high95.8Very high56 Ų5646.3 Ų46.334%0.34426%0.263SS..  trans-128.3155.4175.1177.10000109.3D46T44-D46 WeakPolarHBondContact CG2-O 3.39Å; T44-D46 PolarHBondContact OG1-N 3.08Å; T44-D46 VanDerWaalsContact OG1-N 3.11Å; T44-D46 PolarHBondContact OG1-O 3Å
45S90.2Very high95.9Very high73 Ų7348.7 Ų48.751%0.5127%0.27SS..SBendtrans-82.5-38.7164.835.80000112.2E84 R85S45-E84 VanDerWaalsContact CB-OE2 3.27Å; S45-E84 WeakPolarHBondContact CB-OE2 3.45Å; S45-E84 PolarHBondContact OG-OE2 2.98Å; S45-R85 PolarHBondContact OG-N 3.28Å
46D91.3Very high96Very high4 Ų442.8 Ų42.82%0.02124%0.238CC..SBendtrans-87.2123.3-179.7-169.4-27.2000110.7T44 N48 I49 R82 E84T44-D46 WeakPolarHBondContact CG2-O 3.39Å; T44-D46 PolarHBondContact OG1-N 3.08Å; T44-D46 VanDerWaalsContact OG1-N 3.11Å; T44-D46 PolarHBondContact OG1-O 3Å; D46-N48 PolarHBondContact O-N 2.76Å; D46-N48 VanDerWaalsContact OD1-CB 3.29Å; D46-N48 WeakPolarHBondContact OD1-CB 3.28Å; D46-N48 PolarHBondContact OD1-N 3.45Å; D46-N48 PolarHBondContact OD1-ND2 3.28Å; D46-I49 HydrophobicContact CB-CD1 3.85Å; D46-I49 HydrophobicContact CB-CG1 3.98Å; D46-I49 PolarHBondContact O-N 2.9Å; D46-R82 IonicContact OD2-CZ 3.96Å; D46-R82 IonicContact OD2-NE 3.13Å; D46-R82 IonicContact OD2-NH2 3.76Å; D46-R82 PolarHBondContact OD2-NH2 3.37Å; D46-E84 HydrophobicContact CB-CB 4.46Å; D46-E84 HydrophobicContact CB-CG 3.85Å
47P91.4Very high96.1Very high109 Ų10941.2 Ų41.271%0.70823%0.23SC*.THydrogen-bonded Turntrans-68-14177.629.3-36.2000114.1
48N91.5Very high96.1Very high34 Ų3440.9 Ų40.918%0.18223%0.227CC..THydrogen-bonded Turntrans-89.3-9.1179.5-51.4-75.1000112.6D46 W71 T73 F78D46-N48 PolarHBondContact O-N 2.76Å; D46-N48 VanDerWaalsContact OD1-CB 3.29Å; D46-N48 WeakPolarHBondContact OD1-CB 3.28Å; D46-N48 PolarHBondContact OD1-N 3.45Å; D46-N48 PolarHBondContact OD1-ND2 3.28Å; N48-W71 HydrophobicContact CB-CB 4.4Å; N48-W71 PolarHBondContact O-N 2.01Å; N48-T73 HydrophobicContact CB-CG2 4.24Å; N48-T73 WeakPolarHBondContact OD1-CG2 3.45Å; N48-F78 WeakPolarHBondContact ND2-CE1 3.23Å; N48-F78 WeakPolarHBondContact ND2-CZ 3.45Å
49I95Very high96.1Very high3 Ų345.8 Ų45.82%0.01525%0.25CC..EExtended strand (participates in β ladder)trans-90.9126.9169.5-59.2173.3000108.3D46 V68 F69 E84 L86 V117 F119D46-I49 HydrophobicContact CB-CD1 3.85Å; D46-I49 HydrophobicContact CB-CG1 3.98Å; D46-I49 PolarHBondContact O-N 2.9Å; I49-V68 HydrophobicContact CG2-CG1 3.74Å; I49-F69 CarbonylContact C-O 3.56Å; I49-F69 WeakPolarHBondContact CA-O 3.08Å; I49-E84 HydrophobicContact CD1-CB 3.92Å; I49-E84 HydrophobicContact CD1-CG 4.38Å; I49-L86 HydrophobicContact CG2-CD1 4.29Å; I49-V117 HydrophobicContact CD1-CB 4.1Å; I49-V117 HydrophobicContact CD1-CG1 3.84Å; I49-V117 HydrophobicContact CD1-CG2 4.27Å; I49-F119 HydrophobicContact CD1-CE2 4.11Å; I49-F119 HydrophobicContact CD1-CZ 4.05Å; I49-F119 HydrophobicContact CG1-CZ 4.22Å
50T96Very high96.1Very high57 Ų5748 Ų4835%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-132.3157.2176.154.30000110.3F69 W71T50-F69 PolarHBondContact N-O 2.96Å; T50-F69 PolarHBondContact O-N 2.74Å; T50-W71 PolarHBondContact OG1-NE1 2.67Å
51V97.1Very high96Very high19 Ų1953.4 Ų53.412%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-128.7137.1176.8-178.70000108V42 L53 L66 T67 V68 L86V42-V51 HydrophobicContact CG1-CB 4.36Å; V42-V51 HydrophobicContact CG1-CG2 3.9Å; V42-V51 HydrophobicContact CG2-CG1 4.45Å; V51-L53 VanDerWaalsContact C-N 3.26Å; V51-L53 PolarHBondContact O-N 3.4Å; V51-L66 HydrophobicContact CG1-CB 4.15Å; V51-L66 HydrophobicContact CG1-CD1 4.3Å; V51-T67 WeakPolarHBondContact CA-O 3.08Å; V51-V68 HydrophobicContact CG2-CB 4.49Å; V51-V68 HydrophobicContact CG2-CG1 4.34Å; V51-V68 HydrophobicContact CG2-CG2 4.08Å; V51-L86 HydrophobicContact CG2-CD1 4.07Å; V51-L86 HydrophobicContact CG2-CD2 4.19Å
52D96.3Very high96Very high65 Ų6552.4 Ų52.435%0.34829%0.293SS..SBendtrans-49.3-44.4-179.344.619000113.3P54 T67 F69D52-P54 WeakPolarHBondContact O-CD 3.01Å; D52-T67 VanDerWaalsContact CG-N 3.31Å; D52-T67 PolarHBondContact N-O 3.45Å; D52-T67 PolarHBondContact OD1-N 3.19Å; D52-T67 WeakPolarHBondContact OD2-CA 3.37Å; D52-T67 WeakPolarHBondContact OD2-CB 3.09Å; D52-T67 PolarHBondContact OD2-N 3.33Å; D52-T67 PolarHBondContact OD2-OG1 3.27Å; D52-F69 HydrophobicContact CB-CE2 3.95Å
53L96.6Very high96Very high74 Ų7455 Ų5539%0.38731%0.313SS..  trans-116.292.4179.8-58.8176.8000110.5V51 H55 F56 L64 L66V51-L53 VanDerWaalsContact C-N 3.26Å; V51-L53 PolarHBondContact O-N 3.4Å; L53-H55 VanDerWaalsContact C-N 3.27Å; L53-H55 PolarHBondContact O-N 2.9Å; L53-F56 HydrophobicContact CB-CB 4.46Å; L53-F56 HydrophobicContact CB-CD1 3.8Å; L53-F56 HydrophobicContact CB-CG 4.44Å; L53-F56 WeakPolarHBondContact O-CD1 3.22Å; L53-F56 VanDerWaalsContact O-CE1 3.26Å; L53-F56 WeakPolarHBondContact O-CE1 2.86Å; L53-L64 HydrophobicContact CD1-CD2 4.24Å; L53-L66 HydrophobicContact CB-CD2 3.91Å; L53-L66 HydrophobicContact CD1-CD2 4.01Å; L53-L66 HydrophobicContact CG-CD2 4.32Å
54P97Very high96.1Very high65 Ų6552.4 Ų52.442%0.42230%0.303SS..SBendtrans-72.5-18.6178.327.8-35000113.5K41 V42 D52K41-P54 WeakPolarHBondContact CA-O 3.27Å; V42-P54 PolarHBondContact N-O 2.84Å; D52-P54 WeakPolarHBondContact O-CD 3.01Å
55H98Very high96.2Very high63 Ų6355.5 Ų55.529%0.29231%0.314SS..EExtended strand (participates in β ladder)trans-144.9126.9174.1-50.682.2000110F40 K41 L53 P100 W104F40-H55 WeakPolarHBondContact O-CA 3.29Å; K41-H55 WeakPolarHBondContact CD-NE2 3.45Å; K41-H55 VanDerWaalsContact CE-NE2 3.33Å; K41-H55 WeakPolarHBondContact CE-NE2 3.43Å; L53-H55 VanDerWaalsContact C-N 3.27Å; L53-H55 PolarHBondContact O-N 2.9Å; H55-P100 HydrophobicContact CB-CB 3.72Å; H55-W104 AromaticContact CD2-CD1 3.74Å
56F98.1Very high96.5Very high11 Ų1152.1 Ų52.15%0.04829%0.29CS..EExtended strand (participates in β ladder)trans-153.9173.5-177.252.8-86.2000111.1I30 F40 V42 L53 V58 L64 L66I30-F56 HydrophobicContact CD1-CE2 4.18Å; I30-F56 HydrophobicContact CD1-CZ 3.75Å; F40-F56 HydrophobicContact CB-CD1 4.22Å; F40-F56 HydrophobicContact CB-CD2 3.8Å; F40-F56 HydrophobicContact CB-CE1 3.77Å; F40-F56 HydrophobicContact CB-CE2 3.31Å; F40-F56 HydrophobicContact CB-CG 4.22Å; F40-F56 HydrophobicContact CB-CZ 3.25Å; F40-F56 HydrophobicContact CD1-CE2 4.2Å; F40-F56 HydrophobicContact CD1-CZ 4.15Å; F40-F56 HydrophobicContact CD2-CD2 4.03Å; F40-F56 AromaticContact CD2-CE2 3.52Å; F40-F56 HydrophobicContact CD2-CE2 3.52Å; F40-F56 HydrophobicContact CD2-CZ 4.24Å; F40-F56 HydrophobicContact CE2-CE2 4.38Å; F40-F56 HydrophobicContact CG-CD2 4.16Å; F40-F56 AromaticContact CG-CE2 3.4Å; F40-F56 HydrophobicContact CG-CE2 3.4Å; F40-F56 VanDerWaalsContact CG-CE2 3.4Å; F40-F56 AromaticContact CG-CZ 3.63Å; F40-F56 HydrophobicContact CG-CZ 3.63Å; F40-F56 PolarHBondContact N-O 3.1Å; F40-F56 PolarHBondContact O-N 3.21Å; V42-F56 HydrophobicContact CG2-CE1 3.96Å; L53-F56 HydrophobicContact CB-CB 4.46Å; L53-F56 HydrophobicContact CB-CD1 3.8Å; L53-F56 HydrophobicContact CB-CG 4.44Å; L53-F56 WeakPolarHBondContact O-CD1 3.22Å; L53-F56 VanDerWaalsContact O-CE1 3.26Å; L53-F56 WeakPolarHBondContact O-CE1 2.86Å; F56-V58 HydrophobicContact CD2-CG2 3.79Å; F56-V58 HydrophobicContact CE2-CG2 3.72Å; F56-L64 HydrophobicContact CB-CD2 4.22Å; F56-L64 HydrophobicContact CD1-CD2 4.49Å; F56-L64 HydrophobicContact CD2-CD2 3.32Å; F56-L64 HydrophobicContact CE2-CD2 3.76Å; F56-L64 HydrophobicContact CG-CD2 3.76Å; F56-L66 HydrophobicContact CD1-CD2 4.38Å; F56-L66 HydrophobicContact CE1-CD1 3.77Å; F56-L66 HydrophobicContact CE1-CD2 4.13Å; F56-L66 HydrophobicContact CE2-CD1 4.44Å; F56-L66 HydrophobicContact CZ-CD1 3.6Å; F56-L66 HydrophobicContact CZ-CD2 4.37Å
57F97.9Very high96.9Very high40 Ų4054 Ų5418%0.17530%0.302CS..EExtended strand (participates in β ladder)trans-115149.6165.8-59-71.9000109.6T38 A39 V93 A96 G98 P100 F103T38-F57 CarbonylContact O-C 3.51Å; T38-F57 VanDerWaalsContact O-CA 3.32Å; T38-F57 WeakPolarHBondContact O-CA 3.29Å; A39-F57 HydrophobicContact CB-CD1 3.7Å; A39-F57 HydrophobicContact CB-CE1 3.68Å; F57-V93 HydrophobicContact CD1-CG2 4.34Å; F57-V93 HydrophobicContact CE1-CG2 4.08Å; F57-A96 HydrophobicContact CD2-CB 4.34Å; F57-A96 HydrophobicContact CG-CB 4.3Å; F57-G98 WeakPolarHBondContact CE2-O 3.32Å; F57-P100 HydrophobicContact CD2-CG 3.75Å; F57-P100 HydrophobicContact CE2-CB 4.27Å; F57-P100 HydrophobicContact CE2-CG 3.58Å; F57-P100 HydrophobicContact CG-CG 4.41Å; F57-P100 HydrophobicContact CZ-CB 4.32Å; F57-P100 HydrophobicContact CZ-CG 4.11Å; F57-F103 HydrophobicContact CE1-CB 4.45Å; F57-F103 HydrophobicContact CZ-CB 4.41Å
58V98Very high97.2Very high3 Ų348.9 Ų48.92%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-119.3125.3168.1-172.80000107.9N32 T38 F40 F56 S62 L64N32-V58 HydrophobicContact CB-CB 4.07Å; N32-V58 HydrophobicContact CB-CG1 3.61Å; N32-V58 PolarHBondContact ND2-O 2.75Å; T38-V58 PolarHBondContact N-O 3.09Å; T38-V58 PolarHBondContact O-N 3.31Å; F40-V58 HydrophobicContact CD2-CB 4.43Å; F40-V58 HydrophobicContact CD2-CG2 3.76Å; F40-V58 HydrophobicContact CE2-CB 3.99Å; F40-V58 HydrophobicContact CE2-CG2 3.61Å; F56-V58 HydrophobicContact CD2-CG2 3.79Å; F56-V58 HydrophobicContact CE2-CG2 3.72Å; V58-S62 WeakPolarHBondContact CG1-O 3.38Å; V58-S62 WeakPolarHBondContact CG1-OG 3.37Å; V58-L64 HydrophobicContact CG2-CB 4.14Å; V58-L64 HydrophobicContact CG2-CD2 4.39Å
59Q97.7Very high97.4Very high103 Ų10349.1 Ų49.148%0.48127%0.268SS..  trans-68.7160.8-179.1-66.7-61.4-19.400111.1N32 S62N32-Q59 WeakPolarHBondContact CB-O 3.39Å; N32-Q59 PolarHBondContact ND2-O 3.06Å; Q59-S62 VanDerWaalsContact C-OG 3.31Å; Q59-S62 WeakPolarHBondContact CA-OG 3.38Å; Q59-S62 WeakPolarHBondContact CB-OG 3.25Å; Q59-S62 PolarHBondContact N-OG 3.12Å; Q59-S62 VanDerWaalsContact N-OG 3.11Å; Q59-S62 PolarHBondContact O-N 2.89Å; Q59-S62 PolarHBondContact O-OG 2.79Å
60P97.2Very high97.4Very high47 Ų4749.1 Ų49.131%0.30527%0.268SS..THydrogen-bonded Turntrans-51.3140.7171.7-25.434000112.1G34 N35 S62G34-P60 VanDerWaalsContact O-CA 3.24Å; G34-P60 WeakPolarHBondContact O-CA 3.4Å; G34-P60 WeakPolarHBondContact O-CB 3.21Å; N35-P60 WeakPolarHBondContact O-CG 3.36Å; P60-S62 PolarHBondContact O-N 2.85Å; P60-S62 VanDerWaalsContact O-N 3.11Å
61N97.6Very high97.1Very high113 Ų11352 Ų5260%0.60427%0.273SS*.THydrogen-bonded Turntrans50.734.2176.5-58.2-58.3000114.6N32 G34N32-N61 WeakPolarHBondContact O-CA 3.4Å; N32-N61 PolarHBondContact O-N 2.8Å; G34-N61 PolarHBondContact O-N 2.91Å
62S98.2Very high96.2Very high37 Ų3752.9 Ų52.926%0.25928%0.283SS..EExtended strand (participates in β ladder)trans-128.2159.9-17875.20000112.1T31 N32 V58 Q59 P60T31-S62 WeakPolarHBondContact CA-O 3.4Å; N32-S62 PolarHBondContact N-O 2.84Å; N32-S62 PolarHBondContact O-N 2.82Å; V58-S62 WeakPolarHBondContact CG1-O 3.38Å; V58-S62 WeakPolarHBondContact CG1-OG 3.37Å; Q59-S62 VanDerWaalsContact C-OG 3.31Å; Q59-S62 WeakPolarHBondContact CA-OG 3.38Å; Q59-S62 WeakPolarHBondContact CB-OG 3.25Å; Q59-S62 PolarHBondContact N-OG 3.12Å; Q59-S62 VanDerWaalsContact N-OG 3.11Å; Q59-S62 PolarHBondContact O-N 2.89Å; Q59-S62 PolarHBondContact O-OG 2.79Å; P60-S62 PolarHBondContact O-N 2.85Å; P60-S62 VanDerWaalsContact O-N 3.11Å
63S98.1Very high95.3Very high75 Ų7551.3 Ų51.352%0.52428%0.275SS..EExtended strand (participates in β ladder)trans-120.8150.7173.959.80000112.1I30I30-S63 CarbonylContact O-C 3.59Å; I30-S63 WeakPolarHBondContact O-CA 3.05Å
64L98.2Very high94.3Very high49 Ų4953.8 Ų53.826%0.25729%0.289SS..EExtended strand (participates in β ladder)trans-126.5129.5174.4-178.366.1000108.8S29 I30 L53 F56 V58 L66S29-L64 WeakPolarHBondContact CA-O 3.37Å; I30-L64 PolarHBondContact N-O 2.8Å; I30-L64 PolarHBondContact O-N 3.25Å; L53-L64 HydrophobicContact CD1-CD2 4.24Å; F56-L64 HydrophobicContact CB-CD2 4.22Å; F56-L64 HydrophobicContact CD1-CD2 4.49Å; F56-L64 HydrophobicContact CD2-CD2 3.32Å; F56-L64 HydrophobicContact CE2-CD2 3.76Å; F56-L64 HydrophobicContact CG-CD2 3.76Å; V58-L64 HydrophobicContact CG2-CB 4.14Å; V58-L64 HydrophobicContact CG2-CD2 4.39Å; L64-L66 HydrophobicContact CD2-CD2 3.79Å; L64-L66 HydrophobicContact CG-CD2 4.06Å
65Q98.3Very high93.2Very high121 Ų12153.9 Ų53.957%0.56529%0.286SS*.EExtended strand (participates in β ladder)trans-88134.6169.3-64.6-70.8-3.500109.2
66L98Very high92Very high2 Ų254.6 Ų54.61%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-123.4148.8177.6-60.5177.9000109.4L28 I30 V51 L53 F56 L64 F88L28-L66 HydrophobicContact CD2-CB 4.33Å; L28-L66 HydrophobicContact CD2-CD1 3.99Å; L28-L66 PolarHBondContact N-O 2.93Å; L28-L66 PolarHBondContact O-N 3.21Å; I30-L66 HydrophobicContact CD1-CD1 3.61Å; I30-L66 HydrophobicContact CG1-CD1 4.17Å; V51-L66 HydrophobicContact CG1-CB 4.15Å; V51-L66 HydrophobicContact CG1-CD1 4.3Å; L53-L66 HydrophobicContact CB-CD2 3.91Å; L53-L66 HydrophobicContact CD1-CD2 4.01Å; L53-L66 HydrophobicContact CG-CD2 4.32Å; F56-L66 HydrophobicContact CD1-CD2 4.38Å; F56-L66 HydrophobicContact CE1-CD1 3.77Å; F56-L66 HydrophobicContact CE1-CD2 4.13Å; F56-L66 HydrophobicContact CE2-CD1 4.44Å; F56-L66 HydrophobicContact CZ-CD1 3.6Å; F56-L66 HydrophobicContact CZ-CD2 4.37Å; L64-L66 HydrophobicContact CD2-CD2 3.79Å; L64-L66 HydrophobicContact CG-CD2 4.06Å; L66-F88 HydrophobicContact CD1-CE1 3.98Å
67T98.2Very high90.7Very high45 Ų4559.3 Ų59.328%0.27632%0.321SS..EExtended strand (participates in β ladder)trans-105.7118173.6-40.10000109.2K25 V51 D52 F69K25-T67 HydrophobicContact CB-CG2 4.24Å; V51-T67 WeakPolarHBondContact CA-O 3.08Å; D52-T67 VanDerWaalsContact CG-N 3.31Å; D52-T67 PolarHBondContact N-O 3.45Å; D52-T67 PolarHBondContact OD1-N 3.19Å; D52-T67 WeakPolarHBondContact OD2-CA 3.37Å; D52-T67 WeakPolarHBondContact OD2-CB 3.09Å; D52-T67 PolarHBondContact OD2-N 3.33Å; D52-T67 PolarHBondContact OD2-OG1 3.27Å; T67-F69 HydrophobicContact CG2-CD1 4.32Å; T67-F69 HydrophobicContact CG2-CD2 4.32Å; T67-F69 HydrophobicContact CG2-CE1 3.79Å; T67-F69 HydrophobicContact CG2-CE2 3.78Å; T67-F69 HydrophobicContact CG2-CZ 3.48Å; T67-F69 VanDerWaalsContact CG2-CZ 3.48Å; T67-F69 WeakPolarHBondContact O-CD2 3.46Å; T67-F69 WeakPolarHBondContact O-CE2 3.13Å
68V97.6Very high89.5Confident0 Ų059.4 Ų59.40%032%0.322CS..EExtended strand (participates in β ladder)trans-91.8119.1169.8-173.50000107.7I14 F16 K25 A26 L28 I49 V51 L86I14-V68 HydrophobicContact CD1-CB 4.14Å; I14-V68 HydrophobicContact CD1-CG1 4.31Å; I14-V68 HydrophobicContact CD1-CG2 3.75Å; F16-V68 HydrophobicContact CE2-CG1 4.24Å; F16-V68 HydrophobicContact CZ-CG1 4.14Å; K25-V68 CarbonylContact C-O 3.57Å; K25-V68 WeakPolarHBondContact CA-O 3.27Å; A26-V68 PolarHBondContact N-O 3.34Å; A26-V68 PolarHBondContact O-N 2.67Å; L28-V68 HydrophobicContact CB-CG2 4.23Å; I49-V68 HydrophobicContact CG2-CG1 3.74Å; V51-V68 HydrophobicContact CG2-CB 4.49Å; V51-V68 HydrophobicContact CG2-CG1 4.34Å; V51-V68 HydrophobicContact CG2-CG2 4.08Å; V68-L86 HydrophobicContact CG1-CD2 4.17Å; V68-L86 HydrophobicContact CG2-CD2 3.79Å
69F96.7Very high88.6Confident39 Ų3966.7 Ų66.717%0.17135%0.349CS..EExtended strand (participates in β ladder)trans-102.7135.8177.2-53.9-97000109.3E23 Q24 K25 I49 T50 D52 T67E23-F69 VanDerWaalsContact OE1-CD1 3.25Å; E23-F69 WeakPolarHBondContact OE1-CD1 3.45Å; Q24-F69 CarbonylContact O-C 3.53Å; Q24-F69 WeakPolarHBondContact O-CA 3.22Å; K25-F69 HydrophobicContact CD-CD1 3.99Å; K25-F69 HydrophobicContact CD-CE1 3.83Å; K25-F69 HydrophobicContact CG-CD1 3.92Å; K25-F69 HydrophobicContact CG-CE1 4.24Å; I49-F69 CarbonylContact C-O 3.56Å; I49-F69 WeakPolarHBondContact CA-O 3.08Å; T50-F69 PolarHBondContact N-O 2.96Å; T50-F69 PolarHBondContact O-N 2.74Å; D52-F69 HydrophobicContact CB-CE2 3.95Å; T67-F69 HydrophobicContact CG2-CD1 4.32Å; T67-F69 HydrophobicContact CG2-CD2 4.32Å; T67-F69 HydrophobicContact CG2-CE1 3.79Å; T67-F69 HydrophobicContact CG2-CE2 3.78Å; T67-F69 HydrophobicContact CG2-CZ 3.48Å; T67-F69 VanDerWaalsContact CG2-CZ 3.48Å; T67-F69 WeakPolarHBondContact O-CD2 3.46Å; T67-F69 WeakPolarHBondContact O-CE2 3.13Å
70C94.5Very high87.9Confident4 Ų468 Ų683%0.02736%0.355CS..EExtended strand (participates in β ladder)trans-116.1122.5167.6-174.40000109.7F16 Q24 F119F16-C70 HydrophobicContact CD1-CB 4.06Å; F16-C70 HydrophobicContact CD2-CB 3.67Å; F16-C70 HydrophobicContact CE1-CB 4.02Å; F16-C70 HydrophobicContact CE2-CB 3.64Å; F16-C70 HydrophobicContact CG-CB 3.9Å; F16-C70 HydrophobicContact CZ-CB 3.82Å; Q24-C70 HydrophobicContact CB-CB 4.36Å; Q24-C70 PolarHBondContact N-O 2.82Å; Q24-C70 PolarHBondContact O-N 2.53Å; C70-F119 WeakPolarHBondContact SG-CE1 3.22Å
71W89.7Confident87.5Confident116 Ų11671.8 Ų71.844%0.43937%0.368SS..  trans-87133.1174.1-61.296.9000109.9E23 N48 T50E23-W71 HydrophobicContact CB-CE3 4.16Å; E23-W71 HydrophobicContact CB-CH2 4.48Å; E23-W71 HydrophobicContact CB-CZ3 3.91Å; E23-W71 HydrophobicContact CG-CD2 4.46Å; E23-W71 HydrophobicContact CG-CE3 4.06Å; E23-W71 HydrophobicContact CG-CH2 3.86Å; E23-W71 HydrophobicContact CG-CZ2 4.27Å; E23-W71 HydrophobicContact CG-CZ3 3.75Å; E23-W71 VanDerWaalsContact OE2-CH2 3.22Å; E23-W71 WeakPolarHBondContact OE2-CH2 3.38Å; E23-W71 WeakPolarHBondContact OE2-CZ3 3.33Å; N48-W71 HydrophobicContact CB-CB 4.4Å; N48-W71 PolarHBondContact O-N 2.01Å; T50-W71 PolarHBondContact OG1-NE1 2.67Å
72A78.6Confident87.1Confident39 Ų3968.7 Ų68.732%0.32235%0.349SS..  trans-65.1143.2170.400000110.1C20C20-A72 WeakPolarHBondContact O-CB 3.33Å
73T77.6Confident86.9Confident31 Ų3170.1 Ų70.119%0.1936%0.356CS..  trans-116.3147.3165.385.50000109.7N48 N75 F78N48-T73 HydrophobicContact CB-CG2 4.24Å; N48-T73 WeakPolarHBondContact OD1-CG2 3.45Å; T73-N75 PolarHBondContact O-N 2.94Å; T73-N75 PolarHBondContact OG1-N 2.81Å; T73-F78 HydrophobicContact CG2-CD1 3.8Å; T73-F78 HydrophobicContact CG2-CE1 3.68Å; T73-F78 HydrophobicContact CG2-CE2 4.42Å; T73-F78 HydrophobicContact CG2-CG 4.27Å; T73-F78 HydrophobicContact CG2-CZ 4.01Å; T73-F78 WeakPolarHBondContact OG1-CD1 3.49Å; T73-F78 WeakPolarHBondContact OG1-CD2 3.2Å; T73-F78 WeakPolarHBondContact OG1-CG 3.33Å
74N74.1Confident86.7Confident127 Ų12768.5 Ų68.568%0.67934%0.34SS*.SBendtrans-80.113.9175.4-62-16.2000112.3
75N74.3Confident86.6Confident66 Ų6672.3 Ų72.335%0.35335%0.351SS..  trans-88121179.4179.9-9000108.9T73 L77 F78T73-N75 PolarHBondContact O-N 2.94Å; T73-N75 PolarHBondContact OG1-N 2.81Å; N75-L77 PolarHBondContact O-N 2.99Å; N75-L77 VanDerWaalsContact O-N 3.09Å; N75-L77 WeakPolarHBondContact OD1-CB 3.22Å; N75-L77 WeakPolarHBondContact OD1-CG 3.17Å; N75-L77 PolarHBondContact OD1-N 2.84Å; N75-L77 VanDerWaalsContact OD1-N 3.12Å; N75-F78 HydrophobicContact CB-CD2 3.77Å; N75-F78 HydrophobicContact CB-CE2 4.2Å; N75-F78 WeakPolarHBondContact O-CB 3.39Å; N75-F78 PolarHBondContact O-N 2.93Å
76P73.7Confident86.6Confident79 Ų7966.6 Ų66.651%0.51332%0.324SS..G310 helixtrans-60.2-22.5-177.324-34.6000113.8F78 W79P76-F78 PolarHBondContact O-N 3Å; P76-F78 VanDerWaalsContact O-N 3.1Å; P76-W79 HydrophobicContact CB-CD2 4.33Å; P76-W79 HydrophobicContact CB-CE3 4.17Å; P76-W79 HydrophobicContact CB-CZ3 4.32Å; P76-W79 WeakPolarHBondContact O-CB 3.26Å; P76-W79 PolarHBondContact O-N 3.11Å
77L69.9Low86.6Confident110 Ų11071.1 Ų71.158%0.57634%0.341SS*.G310 helixtrans-61-16.3171.8-62.4174.8000113.4N75 W79N75-L77 PolarHBondContact O-N 2.99Å; N75-L77 VanDerWaalsContact O-N 3.09Å; N75-L77 WeakPolarHBondContact OD1-CB 3.22Å; N75-L77 WeakPolarHBondContact OD1-CG 3.17Å; N75-L77 PolarHBondContact OD1-N 2.84Å; N75-L77 VanDerWaalsContact OD1-N 3.12Å; L77-W79 VanDerWaalsContact C-N 3.34Å
78F74Confident86.6Confident42 Ų4269 Ų6918%0.18433%0.328CS..G310 helixtrans-86.4-6.8177-77.1-114.4000113.1N48 T73 N75 P76 R82N48-F78 WeakPolarHBondContact ND2-CE1 3.23Å; N48-F78 WeakPolarHBondContact ND2-CZ 3.45Å; T73-F78 HydrophobicContact CG2-CD1 3.8Å; T73-F78 HydrophobicContact CG2-CE1 3.68Å; T73-F78 HydrophobicContact CG2-CE2 4.42Å; T73-F78 HydrophobicContact CG2-CG 4.27Å; T73-F78 HydrophobicContact CG2-CZ 4.01Å; T73-F78 WeakPolarHBondContact OG1-CD1 3.49Å; T73-F78 WeakPolarHBondContact OG1-CD2 3.2Å; T73-F78 WeakPolarHBondContact OG1-CG 3.33Å; N75-F78 HydrophobicContact CB-CD2 3.77Å; N75-F78 HydrophobicContact CB-CE2 4.2Å; N75-F78 WeakPolarHBondContact O-CB 3.39Å; N75-F78 PolarHBondContact O-N 2.93Å; P76-F78 PolarHBondContact O-N 3Å; P76-F78 VanDerWaalsContact O-N 3.1Å; F78-R82 VanDerWaalsContact CE1-NH2 3.28Å; F78-R82 PolarHBondContact O-NH1 2.93Å
79W77.8Confident86.6Confident156 Ų15669.3 Ų69.359%0.59133%0.329SS*.SBendtrans-82.8-19.8177.4-56.4-10.6000112.3T18 P76 L77T18-W79 VanDerWaalsContact CB-O 3.29Å; T18-W79 WeakPolarHBondContact CB-O 3.33Å; T18-W79 WeakPolarHBondContact CG2-O 3.46Å; T18-W79 PolarHBondContact OG1-O 2.85Å; P76-W79 HydrophobicContact CB-CD2 4.33Å; P76-W79 HydrophobicContact CB-CE3 4.17Å; P76-W79 HydrophobicContact CB-CZ3 4.32Å; P76-W79 WeakPolarHBondContact O-CB 3.26Å; P76-W79 PolarHBondContact O-N 3.11Å; L77-W79 VanDerWaalsContact C-N 3.34Å
80E83.1Confident86.6Confident130 Ų13067.8 Ų67.861%0.60732%0.323SS*.SBendtrans-69.6146.1172.3-64.8-179.5-172.100111.8T18 R82T18-E80 WeakPolarHBondContact CG2-O 3.38Å; E80-R82 PolarHBondContact O-N 2.83Å
81E88.5Confident86.8Confident126 Ų12667.9 Ų67.959%0.58932%0.324SS*.  trans-67.8128.9173.6-57.9-156.2139.200110.7F119 K120 E121E81-F119 WeakPolarHBondContact CA-O 3.37Å; E81-F119 WeakPolarHBondContact CB-O 3.42Å; E81-K120 VanDerWaalsContact OE1-CA 3.29Å; E81-K120 WeakPolarHBondContact OE1-CA 3.3Å; E81-K120 WeakPolarHBondContact OE1-CB 3.22Å; E81-E121 PolarHBondContact OE1-N 2.77Å
82R90.6Very high87.1Confident49 Ų4964.1 Ų64.119%0.18531%0.314CS..EExtended strand (participates in β ladder)trans-146.4160.6179.270.9177.4-171.6-69.7-8.5112.3D46 F78 E80 E84 F119D46-R82 IonicContact OD2-CZ 3.96Å; D46-R82 IonicContact OD2-NE 3.13Å; D46-R82 IonicContact OD2-NH2 3.76Å; D46-R82 PolarHBondContact OD2-NH2 3.37Å; F78-R82 VanDerWaalsContact CE1-NH2 3.28Å; F78-R82 PolarHBondContact O-NH1 2.93Å; E80-R82 PolarHBondContact O-N 2.83Å; R82-E84 IonicContact NE-OE1 3.25Å; R82-F119 HydrophobicContact CG-CB 4.03Å; R82-F119 HydrophobicContact CG-CD2 3.78Å; R82-F119 HydrophobicContact CG-CG 4.1Å; R82-F119 PolarHBondContact N-O 2.82Å; R82-F119 PolarHBondContact O-N 3.2Å
83T93.3Very high88Confident67 Ų6763 Ų6341%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-120.9117.8177.1-57.80000110.3E116 V117 H118T83-E116 HydrophobicContact CG2-CB 4.21Å; T83-V117 WeakPolarHBondContact CA-O 3.23Å; T83-H118 WeakPolarHBondContact CB-CE1 3.45Å; T83-H118 WeakPolarHBondContact CG2-CE1 3.14Å; T83-H118 WeakPolarHBondContact CG2-ND1 3.47Å; T83-H118 WeakPolarHBondContact CG2-NE2 3.47Å; T83-H118 PolarHBondContact OG1-CE1 2.8Å; T83-H118 PolarHBondContact OG1-ND1 3.24Å
84E94.6Very high88.7Confident40 Ų4067.7 Ų67.719%0.18734%0.337CS..EExtended strand (participates in β ladder)trans-103.2166.9177-69.3-65.3164.100111.3S45 D46 I49 R82 V117 F119S45-E84 VanDerWaalsContact CB-OE2 3.27Å; S45-E84 WeakPolarHBondContact CB-OE2 3.45Å; S45-E84 PolarHBondContact OG-OE2 2.98Å; D46-E84 HydrophobicContact CB-CB 4.46Å; D46-E84 HydrophobicContact CB-CG 3.85Å; I49-E84 HydrophobicContact CD1-CB 3.92Å; I49-E84 HydrophobicContact CD1-CG 4.38Å; R82-E84 IonicContact NE-OE1 3.25Å; E84-V117 HydrophobicContact CB-CB 4.23Å; E84-V117 PolarHBondContact N-O 2.87Å; E84-V117 PolarHBondContact O-N 2.75Å; E84-F119 HydrophobicContact CB-CE2 4.11Å; E84-F119 HydrophobicContact CG-CD2 4.28Å; E84-F119 HydrophobicContact CG-CE2 3.72Å
85R96.3Very high89.4Confident129 Ų12966.4 Ų66.449%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-125.5112.7-175.5-70.5-179.4173.61660.9112.5S45 T114S45-R85 PolarHBondContact OG-N 3.28Å; R85-T114 HydrophobicContact CB-CG2 4.01Å; R85-T114 HydrophobicContact CG-CG2 4.09Å
86L97.2Very high90.2Very high1 Ų164.6 Ų64.61%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-89.7114.5170.2-168.365.8000109.3V42 I49 V51 V68 F88 T114 V115 V117V42-L86 HydrophobicContact CG1-CD1 3.56Å; V42-L86 HydrophobicContact CG1-CG 4.14Å; I49-L86 HydrophobicContact CG2-CD1 4.29Å; V51-L86 HydrophobicContact CG2-CD1 4.07Å; V51-L86 HydrophobicContact CG2-CD2 4.19Å; V68-L86 HydrophobicContact CG1-CD2 4.17Å; V68-L86 HydrophobicContact CG2-CD2 3.79Å; L86-F88 HydrophobicContact CB-CE2 4.46Å; L86-F88 HydrophobicContact CD2-CE2 3.8Å; L86-F88 HydrophobicContact CD2-CZ 3.58Å; L86-F88 HydrophobicContact CG-CE2 3.82Å; L86-F88 HydrophobicContact CG-CZ 3.92Å; L86-T114 WeakPolarHBondContact O-CA 3.42Å; L86-V115 HydrophobicContact CB-CB 4.4Å; L86-V115 PolarHBondContact N-O 3.26Å; L86-V115 PolarHBondContact O-N 2.8Å; L86-V117 HydrophobicContact CB-CG2 4.04Å
87R97.9Very high91Very high98 Ų9865.4 Ų65.437%0.3733%0.332SS..EExtended strand (participates in β ladder)trans-107.5121.2-173.3-62.3168.1179.7-121.815.4110.4V42 K43 E112V42-R87 CarbonylContact C-O 3.59Å; K43-R87 HydrophobicContact CB-CB 4.32Å; K43-R87 PolarHBondContact N-O 3.37Å; K43-R87 PolarHBondContact O-N 2.76Å; R87-E112 HydrophobicContact CB-CG 4.4Å; R87-E112 WeakPolarHBondContact CD-OE1 3.38Å; R87-E112 VanDerWaalsContact CG-OE1 3.27Å; R87-E112 WeakPolarHBondContact CG-OE1 3.49Å; R87-E112 IonicContact CZ-OE1 3.67Å; R87-E112 IonicContact NE-OE1 2.75Å; R87-E112 IonicContact NH1-OE1 3.73Å; R87-E112 PolarHBondContact NH1-OE1 2.79Å; R87-E112 IonicContact NH1-OE2 3.63Å
88F97.8Very high92.1Very high0 Ų062.3 Ų62.30%033%0.326CS..EExtended strand (participates in β ladder)trans-99.3103.8173.3-62.7-88.5000109L28 I30 F40 V42 L66 L86 E112 K113 V115L28-F88 HydrophobicContact CD1-CE2 4Å; L28-F88 HydrophobicContact CD1-CZ 3.83Å; L28-F88 HydrophobicContact CD2-CE1 4.07Å; L28-F88 HydrophobicContact CD2-CE2 4.37Å; L28-F88 HydrophobicContact CD2-CZ 3.64Å; L28-F88 HydrophobicContact CG-CZ 4.43Å; I30-F88 HydrophobicContact CD1-CD1 3.58Å; I30-F88 HydrophobicContact CD1-CE1 3.65Å; I30-F88 HydrophobicContact CD1-CG 4.32Å; I30-F88 HydrophobicContact CD1-CZ 4.43Å; F40-F88 HydrophobicContact CD1-CB 4.41Å; V42-F88 HydrophobicContact CG1-CE1 4.18Å; V42-F88 HydrophobicContact CG2-CD1 3.95Å; V42-F88 HydrophobicContact CG2-CE1 3.81Å; L66-F88 HydrophobicContact CD1-CE1 3.98Å; L86-F88 HydrophobicContact CB-CE2 4.46Å; L86-F88 HydrophobicContact CD2-CE2 3.8Å; L86-F88 HydrophobicContact CD2-CZ 3.58Å; L86-F88 HydrophobicContact CG-CE2 3.82Å; L86-F88 HydrophobicContact CG-CZ 3.92Å; F88-E112 WeakPolarHBondContact O-CA 3.33Å; F88-K113 PolarHBondContact N-O 2.85Å; F88-K113 PolarHBondContact O-N 2.84Å; F88-V115 HydrophobicContact CD2-CG2 4.24Å; F88-V115 HydrophobicContact CE2-CB 4.14Å; F88-V115 HydrophobicContact CE2-CG2 3.82Å
89L98Very high93.1Very high6 Ų663.5 Ų63.53%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-79.5134.4168.4-55.1-177.3000108.6F40 K41 K43 W104 F111 E112F40-L89 CarbonylContact C-O 3.58Å; F40-L89 VanDerWaalsContact CA-O 3.3Å; F40-L89 WeakPolarHBondContact CA-O 3.44Å; K41-L89 HydrophobicContact CB-CB 4.32Å; K41-L89 PolarHBondContact N-O 2.88Å; K41-L89 PolarHBondContact O-N 2.97Å; K43-L89 HydrophobicContact CD-CD1 3.91Å; K43-L89 HydrophobicContact CG-CD1 4.5Å; L89-W104 HydrophobicContact CB-CH2 3.67Å; L89-W104 HydrophobicContact CB-CZ2 4.27Å; L89-W104 HydrophobicContact CB-CZ3 4.14Å; L89-W104 WeakPolarHBondContact O-CZ2 3.47Å; L89-F111 CarbonylContact C-O 3.59Å; L89-F111 WeakPolarHBondContact CA-O 3.46Å; L89-E112 HydrophobicContact CD2-CB 3.93Å; L89-E112 HydrophobicContact CD2-CG 3.81Å; L89-E112 WeakPolarHBondContact CD2-OE2 3.48Å
90Y98.1Very high94Very high8 Ų857.4 Ų57.43%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-140.5148.4-179.666.4-81.3000113.7A5 I7 T38 A39 F40 W110 F111 K113A5-Y90 HydrophobicContact CB-CD2 4.33Å; A5-Y90 HydrophobicContact CB-CE2 4.35Å; I7-Y90 HydrophobicContact CB-CE2 4.42Å; I7-Y90 HydrophobicContact CG1-CD2 3.7Å; I7-Y90 HydrophobicContact CG1-CE2 3.78Å; I7-Y90 HydrophobicContact CG1-CG 4.31Å; T38-Y90 HydrophobicContact CG2-CD2 4.16Å; T38-Y90 HydrophobicContact CG2-CG 4.47Å; A39-Y90 WeakPolarHBondContact O-CA 3.19Å; F40-Y90 HydrophobicContact CE1-CG 4.26Å; Y90-W110 WeakPolarHBondContact O-CA 3.21Å; Y90-F111 HydrophobicContact CD1-CB 4.08Å; Y90-F111 HydrophobicContact CD2-CB 4.17Å; Y90-F111 HydrophobicContact CE1-CB 3.56Å; Y90-F111 HydrophobicContact CE2-CB 3.67Å; Y90-F111 HydrophobicContact CE2-CD2 4.32Å; Y90-F111 HydrophobicContact CE2-CG 4.24Å; Y90-F111 HydrophobicContact CG-CB 4.36Å; Y90-F111 PolarHBondContact N-O 2.88Å; Y90-F111 PolarHBondContact O-N 2.79Å; Y90-K113 HydrophobicContact CE1-CB 4.04Å
91A97.7Very high94.6Very high6 Ų653.6 Ų53.65%0.0531%0.311CS..EExtended strand (participates in β ladder)trans-150.2143.4176.400000111T38 A39 F103 W104 W110T38-A91 WeakPolarHBondContact CA-O 3.5Å; A39-A91 PolarHBondContact N-O 3.48Å; A39-A91 PolarHBondContact O-N 3.32Å; A91-F103 HydrophobicContact CB-CE1 3.96Å; A91-F103 HydrophobicContact CB-CZ 3.81Å; A91-W104 HydrophobicContact CB-CH2 4.42Å; A91-W110 HydrophobicContact CB-CB 4.39Å
92V96.9Very high95Very high37 Ų3749.2 Ų49.222%0.22430%0.296CS..EExtended strand (participates in β ladder)trans-68.6142.5175.4175.50000110.2R3 A5 E36R3-V92 HydrophobicContact CB-CG2 4.32Å; R3-V92 WeakPolarHBondContact O-CG2 3.24Å; A5-V92 HydrophobicContact CB-CG2 3.9Å; E36-V92 HydrophobicContact CB-CG1 3.58Å; E36-V92 HydrophobicContact CG-CG1 4.29Å
93V95.7Very high95.3Very high15 Ų1548.8 Ų48.89%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-131.1131.9-179.1-163.30000110.3A37 A39 F57 D95 F103A37-V93 PolarHBondContact O-N 2.7Å; A39-V93 HydrophobicContact CB-CG2 3.61Å; F57-V93 HydrophobicContact CD1-CG2 4.34Å; F57-V93 HydrophobicContact CE1-CG2 4.08Å; V93-D95 WeakPolarHBondContact CG1-O 3.34Å; V93-F103 HydrophobicContact CB-CE2 4.3Å; V93-F103 HydrophobicContact CG1-CD2 3.98Å; V93-F103 HydrophobicContact CG1-CE2 3.96Å; V93-F103 HydrophobicContact CG2-CD2 3.95Å; V93-F103 HydrophobicContact CG2-CE1 4.27Å; V93-F103 HydrophobicContact CG2-CE2 3.54Å; V93-F103 HydrophobicContact CG2-CG 4.47Å; V93-F103 HydrophobicContact CG2-CZ 3.72Å
94S92.1Very high95.4Very high129 Ų12947 Ų4790%0.90228%0.282SS*.SBendtrans-76.2-27.4177.252.80000113.9
95D90.2Very high95.5Very high100 Ų10053.8 Ų53.854%0.53531%0.31SS..  trans-139.9116.7176.5178.915.2000111V93 S97V93-D95 WeakPolarHBondContact CG1-O 3.34Å; D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 WeakPolarHBondContact OD1-CB 3.41Å; D95-S97 PolarHBondContact OD1-N 2.87Å; D95-S97 PolarHBondContact OD1-OG 2.8Å; D95-S97 WeakPolarHBondContact OD2-CB 3.19Å; D95-S97 PolarHBondContact OD2-OG 3.12Å
96A91.7Very high95.5Very high29 Ų2956.5 Ų56.524%0.2432%0.321CS..  trans-88.712.7178.900000113.7A37 F57 G98A37-A96 HydrophobicContact CB-CB 4.21Å; F57-A96 HydrophobicContact CD2-CB 4.34Å; F57-A96 HydrophobicContact CG-CB 4.3Å; A96-G98 VanDerWaalsContact C-N 3.31Å; A96-G98 PolarHBondContact O-N 2.84Å
97S89.2Confident95.4Very high96 Ų9657.2 Ų57.267%0.67133%0.327SS*.  trans-68.9-20.7-179.6710000115.2D95D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 WeakPolarHBondContact OD1-CB 3.41Å; D95-S97 PolarHBondContact OD1-N 2.87Å; D95-S97 PolarHBondContact OD1-OG 2.8Å; D95-S97 WeakPolarHBondContact OD2-CB 3.19Å; D95-S97 PolarHBondContact OD2-OG 3.12Å
98G92.3Very high95.2Very high45 Ų4560 Ų6046%0.46435%0.349SS..SBendtrans-80.5-176.1-17700000114.3F57 A96F57-G98 WeakPolarHBondContact CE2-O 3.32Å; A96-G98 VanDerWaalsContact C-N 3.31Å; A96-G98 PolarHBondContact O-N 2.84Å
99S95.9Very high95Very high67 Ų6763.1 Ų63.147%0.46937%0.371SS..  trans-86.7138.1166.969.10000110.9A101 A102 F103S99-A101 PolarHBondContact O-N 2.79Å; S99-A102 PolarHBondContact O-N 2.84Å; S99-A102 WeakPolarHBondContact OG-CB 3.38Å; S99-A102 PolarHBondContact OG-N 2.92Å; S99-F103 PolarHBondContact O-N 2.99Å; S99-F103 VanDerWaalsContact O-N 3.11Å
100P96.7Very high95Very high28 Ų2869 Ų6918%0.18239%0.393CS..Hα-helixtrans-53.3-41.7177.9-26.932.4000112.7H55 F57 A102 F103 W104H55-P100 HydrophobicContact CB-CB 3.72Å; F57-P100 HydrophobicContact CD2-CG 3.75Å; F57-P100 HydrophobicContact CE2-CB 4.27Å; F57-P100 HydrophobicContact CE2-CG 3.58Å; F57-P100 HydrophobicContact CG-CG 4.41Å; F57-P100 HydrophobicContact CZ-CB 4.32Å; F57-P100 HydrophobicContact CZ-CG 4.11Å; P100-A102 VanDerWaalsContact C-N 3.29Å; P100-A102 PolarHBondContact O-N 2.8Å; P100-F103 WeakPolarHBondContact O-CB 3.39Å; P100-F103 PolarHBondContact O-N 2.91Å; P100-W104 PolarHBondContact O-N 3.31Å; P100-W104 VanDerWaalsContact O-N 3.14Å
101A96.2Very high95Very high50 Ų5071.4 Ų71.441%0.41340%0.404SS..Hα-helixtrans-64.2-28.117800000113.9S99S99-A101 PolarHBondContact O-N 2.79Å
102A96.2Very high95Very high33 Ų3375 Ų7527%0.27342%0.419SS..Hα-helixtrans-85.6-20.8175.600000113.3S99 P100 R106S99-A102 PolarHBondContact O-N 2.84Å; S99-A102 WeakPolarHBondContact OG-CB 3.38Å; S99-A102 PolarHBondContact OG-N 2.92Å; P100-A102 VanDerWaalsContact C-N 3.29Å; P100-A102 PolarHBondContact O-N 2.8Å; A102-R106 PolarHBondContact O-NE 3.31Å; A102-R106 PolarHBondContact O-NH2 2.83Å
103F97Very high95Very high40 Ų4076 Ų7618%0.17542%0.42CS..Hα-helixtrans-66.4-51.6166.5171-93000110.2A39 F57 A91 V93 S99 P100 K105 R106 A107A39-F103 HydrophobicContact CB-CD1 3.46Å; A39-F103 VanDerWaalsContact CB-CD1 3.46Å; A39-F103 HydrophobicContact CB-CE1 3.46Å; A39-F103 VanDerWaalsContact CB-CE1 3.46Å; A39-F103 HydrophobicContact CB-CG 4.2Å; A39-F103 HydrophobicContact CB-CZ 4.18Å; F57-F103 HydrophobicContact CE1-CB 4.45Å; F57-F103 HydrophobicContact CZ-CB 4.41Å; A91-F103 HydrophobicContact CB-CE1 3.96Å; A91-F103 HydrophobicContact CB-CZ 3.81Å; V93-F103 HydrophobicContact CB-CE2 4.3Å; V93-F103 HydrophobicContact CG1-CD2 3.98Å; V93-F103 HydrophobicContact CG1-CE2 3.96Å; V93-F103 HydrophobicContact CG2-CD2 3.95Å; V93-F103 HydrophobicContact CG2-CE1 4.27Å; V93-F103 HydrophobicContact CG2-CE2 3.54Å; V93-F103 HydrophobicContact CG2-CG 4.47Å; V93-F103 HydrophobicContact CG2-CZ 3.72Å; S99-F103 PolarHBondContact O-N 2.99Å; S99-F103 VanDerWaalsContact O-N 3.11Å; P100-F103 WeakPolarHBondContact O-CB 3.39Å; P100-F103 PolarHBondContact O-N 2.91Å; F103-K105 PolarHBondContact O-N 3.42Å; F103-R106 PolarHBondContact O-N 3.21Å; F103-A107 HydrophobicContact CD1-CB 4.34Å; F103-A107 HydrophobicContact CE1-CB 3.79Å; F103-A107 HydrophobicContact CZ-CB 4.03Å; F103-A107 PolarHBondContact O-N 2.84Å
104W96.7Very high95.1Very high30 Ų3078.1 Ų78.111%0.11443%0.434CS..THydrogen-bonded Turntrans-65.7-5.9-177.8-75.1108.7000116.1A39 F40 K41 H55 L89 A91 P100 A107 W110A39-W104 HydrophobicContact CB-CZ2 4.41Å; F40-W104 VanDerWaalsContact C-NE1 3.26Å; F40-W104 PolarHBondContact O-NE1 2.96Å; K41-W104 HydrophobicContact CB-CD2 3.79Å; K41-W104 VanDerWaalsContact CB-CE2 3.41Å; K41-W104 HydrophobicContact CB-CE3 4.42Å; K41-W104 HydrophobicContact CB-CG 4.11Å; K41-W104 HydrophobicContact CB-CH2 4.4Å; K41-W104 HydrophobicContact CB-CZ2 3.76Å; K41-W104 HydrophobicContact CD-CB 4.4Å; K41-W104 HydrophobicContact CD-CD2 4.11Å; K41-W104 HydrophobicContact CD-CE3 4.39Å; K41-W104 HydrophobicContact CD-CG 4.09Å; H55-W104 AromaticContact CD2-CD1 3.74Å; L89-W104 HydrophobicContact CB-CH2 3.67Å; L89-W104 HydrophobicContact CB-CZ2 4.27Å; L89-W104 HydrophobicContact CB-CZ3 4.14Å; L89-W104 WeakPolarHBondContact O-CZ2 3.47Å; A91-W104 HydrophobicContact CB-CH2 4.42Å; P100-W104 PolarHBondContact O-N 3.31Å; P100-W104 VanDerWaalsContact O-N 3.14Å; W104-A107 HydrophobicContact CE3-CB 4Å; W104-A107 HydrophobicContact CZ3-CB 4.31Å; W104-W110 HydrophobicContact CH2-CB 3.88Å; W104-W110 HydrophobicContact CZ3-CB 3.78Å; W104-W110 HydrophobicContact CZ3-CD2 4.45Å; W104-W110 HydrophobicContact CZ3-CG 4.11Å
105K96.3Very high95.3Very high182 Ų18272 Ų7279%0.79139%0.391SS*.THydrogen-bonded Turntrans-83.5-11.9168.7-70.3179.3-177.8-176.50113.7F103F103-K105 PolarHBondContact O-N 3.42Å
106R95.2Very high95.7Very high186 Ų18670.3 Ų70.370%0.70238%0.38SS*.SBendtrans-129.35.4-172.9-65.1178.7-74.8169.3-1112.9A102 F103 D108A102-R106 PolarHBondContact O-NE 3.31Å; A102-R106 PolarHBondContact O-NH2 2.83Å; F103-R106 PolarHBondContact O-N 3.21Å; R106-D108 PolarHBondContact O-N 3.37Å
107A94.7Very high95.9Very high16 Ų1669 Ų6913%0.13237%0.368CS..  trans-87.6106.6-178.700000109.6F103 W104 W110F103-A107 HydrophobicContact CD1-CB 4.34Å; F103-A107 HydrophobicContact CE1-CB 3.79Å; F103-A107 HydrophobicContact CZ-CB 4.03Å; F103-A107 PolarHBondContact O-N 2.84Å; W104-A107 HydrophobicContact CE3-CB 4Å; W104-A107 HydrophobicContact CZ3-CB 4.31Å; A107-W110 VanDerWaalsContact O-CZ3 3.23Å; A107-W110 WeakPolarHBondContact O-CZ3 3.14Å
108D94.1Very high96.1Very high157 Ų15766 Ų6684%0.8434%0.344SS*.  trans-89.7-12.7179.8-61.1-37.6000113.3R106R106-D108 PolarHBondContact O-N 3.37Å
109S94.9Very high96.1Very high66 Ų6664.3 Ų64.346%0.46232%0.324SS..  trans-139.3130.8178.766.40000111.3
110W97.2Very high95.8Very high129 Ų12965.2 Ų65.249%0.48932%0.32SS..  trans-148.4164.3178.657.684.5000110.1Y90 A91 W104 A107Y90-W110 WeakPolarHBondContact O-CA 3.21Å; A91-W110 HydrophobicContact CB-CB 4.39Å; W104-W110 HydrophobicContact CH2-CB 3.88Å; W104-W110 HydrophobicContact CZ3-CB 3.78Å; W104-W110 HydrophobicContact CZ3-CD2 4.45Å; W104-W110 HydrophobicContact CZ3-CG 4.11Å; A107-W110 VanDerWaalsContact O-CZ3 3.23Å; A107-W110 WeakPolarHBondContact O-CZ3 3.14Å
111F97.7Very high95.2Very high59 Ų5969.6 Ų69.626%0.25934%0.337SS..EExtended strand (participates in β ladder)trans-111.7164.4170.5-60.4-88.8000109.1A2 R3 R4 L89 Y90A2-F111 HydrophobicContact CB-CE2 4.11Å; A2-F111 HydrophobicContact CB-CZ 4.16Å; R3-F111 WeakPolarHBondContact O-CE2 3.49Å; R4-F111 HydrophobicContact CB-CD2 4.5Å; R4-F111 HydrophobicContact CB-CE1 3.98Å; R4-F111 HydrophobicContact CB-CE2 3.98Å; R4-F111 HydrophobicContact CB-CZ 3.69Å; R4-F111 HydrophobicContact CG-CD1 4.08Å; R4-F111 HydrophobicContact CG-CD2 4.38Å; R4-F111 HydrophobicContact CG-CE1 4.02Å; R4-F111 HydrophobicContact CG-CE2 4.34Å; R4-F111 HydrophobicContact CG-CG 4.27Å; R4-F111 HydrophobicContact CG-CZ 4.15Å; L89-F111 CarbonylContact C-O 3.59Å; L89-F111 WeakPolarHBondContact CA-O 3.46Å; Y90-F111 HydrophobicContact CD1-CB 4.08Å; Y90-F111 HydrophobicContact CD2-CB 4.17Å; Y90-F111 HydrophobicContact CE1-CB 3.56Å; Y90-F111 HydrophobicContact CE2-CB 3.67Å; Y90-F111 HydrophobicContact CE2-CD2 4.32Å; Y90-F111 HydrophobicContact CE2-CG 4.24Å; Y90-F111 HydrophobicContact CG-CB 4.36Å; Y90-F111 PolarHBondContact N-O 2.88Å; Y90-F111 PolarHBondContact O-N 2.79Å
112E97.4Very high93.9Very high80 Ų8069.9 Ų69.937%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-126.2142-179.8-174165.9152.500109.7R87 F88 L89R87-E112 HydrophobicContact CB-CG 4.4Å; R87-E112 WeakPolarHBondContact CD-OE1 3.38Å; R87-E112 VanDerWaalsContact CG-OE1 3.27Å; R87-E112 WeakPolarHBondContact CG-OE1 3.49Å; R87-E112 IonicContact CZ-OE1 3.67Å; R87-E112 IonicContact NE-OE1 2.75Å; R87-E112 IonicContact NH1-OE1 3.73Å; R87-E112 PolarHBondContact NH1-OE1 2.79Å; R87-E112 IonicContact NH1-OE2 3.63Å; F88-E112 WeakPolarHBondContact O-CA 3.33Å; L89-E112 HydrophobicContact CD2-CB 3.93Å; L89-E112 HydrophobicContact CD2-CG 3.81Å; L89-E112 WeakPolarHBondContact CD2-OE2 3.48Å
113K97.2Very high92.3Very high58 Ų5876.8 Ų76.825%0.25236%0.361SS..EExtended strand (participates in β ladder)trans-133131.2168.7-176156176.2170.60108.1I7 V9 F88 Y90I7-K113 PolarHBondContact O-NZ 2.88Å; V9-K113 HydrophobicContact CB-CD 4.35Å; V9-K113 HydrophobicContact CG2-CD 3.75Å; V9-K113 HydrophobicContact CG2-CG 4.25Å; F88-K113 PolarHBondContact N-O 2.85Å; F88-K113 PolarHBondContact O-N 2.84Å; Y90-K113 HydrophobicContact CE1-CB 4.04Å
114T97.4Very high90.4Very high60 Ų6083.2 Ų83.237%0.36838%0.384SS..EExtended strand (participates in β ladder)trans-107.7142.1-174.8-53.70000109.7R85 L86R85-T114 HydrophobicContact CB-CG2 4.01Å; R85-T114 HydrophobicContact CG-CG2 4.09Å; L86-T114 WeakPolarHBondContact O-CA 3.42Å
115V97.8Very high88.4Confident1 Ų190.4 Ų90.41%0.00642%0.419CS..EExtended strand (participates in β ladder)trans-119.2131.2168.2168.20000106.7V9 I12 I14 L28 L86 F88V9-V115 HydrophobicContact CG1-CG2 3.71Å; I12-V115 WeakPolarHBondContact O-CA 3.42Å; I12-V115 WeakPolarHBondContact O-CG1 3.5Å; I14-V115 HydrophobicContact CD1-CG1 4.01Å; I14-V115 HydrophobicContact CG1-CG1 4.04Å; L28-V115 HydrophobicContact CD1-CB 4.45Å; L28-V115 HydrophobicContact CD1-CG1 4.09Å; L28-V115 HydrophobicContact CD1-CG2 4.02Å; L86-V115 HydrophobicContact CB-CB 4.4Å; L86-V115 PolarHBondContact N-O 3.26Å; L86-V115 PolarHBondContact O-N 2.8Å; F88-V115 HydrophobicContact CD2-CG2 4.24Å; F88-V115 HydrophobicContact CE2-CB 4.14Å; F88-V115 HydrophobicContact CE2-CG2 3.82Å
116E97.2Very high86.3Confident65 Ų6592.5 Ų92.530%0.30442%0.422SS..EExtended strand (participates in β ladder)trans-84140178.4-55.9-153.6144.700109.8I12 E13 I14 T83 H118I12-E116 PolarHBondContact O-N 3.25Å; I12-E116 VanDerWaalsContact O-N 3.1Å; E13-E116 CarbonylContact C-O 3.58Å; E13-E116 WeakPolarHBondContact CA-O 3.45Å; E13-E116 HydrophobicContact CG-CB 4.4Å; I14-E116 PolarHBondContact N-O 3.48Å; T83-E116 HydrophobicContact CG2-CB 4.21Å; E116-H118 IonicContact OE2-NE2 2.67Å; E116-H118 PolarHBondContact OE2-NE2 2.91Å
117V96.3Very high84.1Confident0 Ų089.2 Ų89.20%042%0.422CS..EExtended strand (participates in β ladder)trans-120.2103.7178.6-176.10000107.8I14 F16 I49 T83 E84 L86 F119I14-V117 HydrophobicContact CB-CG1 4.49Å; I14-V117 HydrophobicContact CB-CG2 4.34Å; I14-V117 HydrophobicContact CG2-CG1 4.42Å; I14-V117 CarbonylContact O-C 3.52Å; I14-V117 WeakPolarHBondContact O-CA 3.34Å; F16-V117 HydrophobicContact CD2-CG1 3.46Å; F16-V117 VanDerWaalsContact CD2-CG1 3.46Å; F16-V117 HydrophobicContact CE2-CG1 3.7Å; I49-V117 HydrophobicContact CD1-CB 4.1Å; I49-V117 HydrophobicContact CD1-CG1 3.84Å; I49-V117 HydrophobicContact CD1-CG2 4.27Å; T83-V117 WeakPolarHBondContact CA-O 3.23Å; E84-V117 HydrophobicContact CB-CB 4.23Å; E84-V117 PolarHBondContact N-O 2.87Å; E84-V117 PolarHBondContact O-N 2.75Å; L86-V117 HydrophobicContact CB-CG2 4.04Å; V117-F119 HydrophobicContact CG1-CE2 3.94Å; V117-F119 HydrophobicContact CG1-CZ 4.34Å
118H94.4Very high82.4Confident35 Ų3595.2 Ų95.216%0.16245%0.451CS..EExtended strand (participates in β ladder)trans-91.7129-179.7-57.5-73.9000110.4I14 N15 F16 T83 E116 K120I14-H118 PolarHBondContact O-N 3.27Å; N15-H118 CarbonylContact C-O 3.53Å; N15-H118 WeakPolarHBondContact CA-O 3.48Å; F16-H118 PolarHBondContact N-O 2.86Å; T83-H118 WeakPolarHBondContact CB-CE1 3.45Å; T83-H118 WeakPolarHBondContact CG2-CE1 3.14Å; T83-H118 WeakPolarHBondContact CG2-ND1 3.47Å; T83-H118 WeakPolarHBondContact CG2-NE2 3.47Å; T83-H118 PolarHBondContact OG1-CE1 2.8Å; T83-H118 PolarHBondContact OG1-ND1 3.24Å; E116-H118 IonicContact OE2-NE2 2.67Å; E116-H118 PolarHBondContact OE2-NE2 2.91Å; H118-K120 HydrophobicContact CB-CD 4.5Å; H118-K120 HydrophobicContact CB-CG 4.43Å
119F92.2Very high80.6Confident8 Ų895.4 Ų95.44%0.03545%0.447CS..EExtended strand (participates in β ladder)trans-98.6115.5167.4-66.9-96000107.1F16 T18 I49 C70 E81 R82 E84 V117F16-F119 HydrophobicContact CB-CD1 4.12Å; F16-F119 HydrophobicContact CB-CE1 4.13Å; F16-F119 HydrophobicContact CD2-CE1 4.45Å; F16-F119 HydrophobicContact CD2-CZ 4.39Å; F16-F119 WeakPolarHBondContact O-CA 3.44Å; T18-F119 HydrophobicContact CG2-CB 3.78Å; I49-F119 HydrophobicContact CD1-CE2 4.11Å; I49-F119 HydrophobicContact CD1-CZ 4.05Å; I49-F119 HydrophobicContact CG1-CZ 4.22Å; C70-F119 WeakPolarHBondContact SG-CE1 3.22Å; E81-F119 WeakPolarHBondContact CA-O 3.37Å; E81-F119 WeakPolarHBondContact CB-O 3.42Å; R82-F119 HydrophobicContact CG-CB 4.03Å; R82-F119 HydrophobicContact CG-CD2 3.78Å; R82-F119 HydrophobicContact CG-CG 4.1Å; R82-F119 PolarHBondContact N-O 2.82Å; R82-F119 PolarHBondContact O-N 3.2Å; E84-F119 HydrophobicContact CB-CE2 4.11Å; E84-F119 HydrophobicContact CG-CD2 4.28Å; E84-F119 HydrophobicContact CG-CE2 3.72Å; V117-F119 HydrophobicContact CG1-CE2 3.94Å; V117-F119 HydrophobicContact CG1-CZ 4.34Å
120K89.8Confident78.6Confident87 Ų8799.3 Ų99.338%0.37846%0.458SS..EExtended strand (participates in β ladder)trans-125.6150.3179.6-68.4175-178.3154.70110.2N15 F16 K17 T18 E81 H118N15-K120 PolarHBondContact OD1-NZ 3.18Å; N15-K120 VanDerWaalsContact OD1-NZ 3.12Å; F16-K120 PolarHBondContact O-N 2.79Å; K17-K120 WeakPolarHBondContact CA-O 3.44Å; T18-K120 PolarHBondContact N-O 3.1Å; E81-K120 VanDerWaalsContact OE1-CA 3.29Å; E81-K120 WeakPolarHBondContact OE1-CA 3.3Å; E81-K120 WeakPolarHBondContact OE1-CB 3.22Å; H118-K120 HydrophobicContact CB-CD 4.5Å; H118-K120 HydrophobicContact CB-CG 4.43Å
121E83.7Confident76.6Confident119 Ų11998.9 Ų98.956%0.55647%0.47SS*.  trans-67.4137.3165.2-169.7171.2-166.300107.9E81 Q123E81-E121 PolarHBondContact OE1-N 2.77Å; E121-Q123 PolarHBondContact O-N 2.88Å
122T68.3Low74.5Confident57 Ų57101.8 Ų101.835%0.3549%0.488SS..  trans-68.8103.5167.3-59.10000106.5K17 R124K17-T122 WeakPolarHBondContact CD-OG1 3.44Å; K17-T122 WeakPolarHBondContact CE-OG1 3.24Å; K17-T122 VanDerWaalsContact CG-OG1 3.28Å; K17-T122 WeakPolarHBondContact CG-OG1 3.11Å; K17-T122 PolarHBondContact NZ-OG1 3.44Å; K17-T122 VanDerWaalsContact NZ-OG1 3.12Å; T122-R124 PolarHBondContact O-N 2.92Å
123Q62.2Low72.4Confident178 Ų178102.8 Ų102.883%0.83250%0.504SS*.  trans-47.9113.8161.7-68.5-170.62.300106E121 E125E121-Q123 PolarHBondContact O-N 2.88Å; Q123-E125 PolarHBondContact O-N 3.14Å
124R57.8Low70.4Confident174 Ų174106 Ų10666%0.65753%0.528SS*.  trans-49.3116.5176.3-68.3173.6173.8-130.5-8.9105.4T122 R126 D166T122-R124 PolarHBondContact O-N 2.92Å; R124-R126 VanDerWaalsContact C-N 3.28Å; R124-R126 PolarHBondContact O-N 3.32Å; R124-D166 IonicContact CZ-OD2 3.59Å; R124-D166 IonicContact NH1-OD2 2.8Å; R124-D166 PolarHBondContact NH1-OD2 3.25Å; R124-D166 IonicContact NH2-OD2 2.74Å; R124-D166 PolarHBondContact NH2-OD2 2.86Å
125E55.5Low68.5Low181 Ų181110.6 Ų110.685%0.84655%0.545SS*.  trans-53108.1167.8-80.1177.1135.800104.3Q123 T127Q123-E125 PolarHBondContact O-N 3.14Å; E125-T127 PolarHBondContact O-N 2.86Å
126R51.5Low66.5Low226 Ų226115.2 Ų115.285%0.85358%0.578SS**  trans-67.594.1168.6-70-176.1-177.5-176.71.2102.5R124 I128R124-R126 VanDerWaalsContact C-N 3.28Å; R124-R126 PolarHBondContact O-N 3.32Å; R126-I128 PolarHBondContact O-N 3.11Å
127T48.6Very low64.4Low117 Ų117119.1 Ų119.172%0.71860%0.601SS**  trans-51.1102.2161.1-54.30000104.2E125 E129E125-T127 PolarHBondContact O-N 2.86Å; T127-E129 HydrophobicContact CG2-CG 4.2Å; T127-E129 PolarHBondContact O-N 3.19Å
128I59.6Low62.6Low143 Ų143124.8 Ų124.873%0.73364%0.635SS**  trans-6991.6166.4-59.5176.1000101.6R126 Q130R126-I128 PolarHBondContact O-N 3.11Å; I128-Q130 HydrophobicContact CG2-CB 4.31Å; I128-Q130 PolarHBondContact O-N 2.77Å
129E56.4Low60.3Low160 Ų160132.9 Ų132.975%0.74866%0.664SS**  trans-61.586.1157.6-73.6-170.3165.100104.8T127 T131T127-E129 HydrophobicContact CG2-CG 4.2Å; T127-E129 PolarHBondContact O-N 3.19Å; E129-T131 PolarHBondContact O-N 2.78Å
130Q52.4Low58.7Low148 Ų148138.8 Ų138.869%0.69270%0.701SS**  trans-68.981.4167-170.6169.6-10.200104.4I128 D132I128-Q130 HydrophobicContact CG2-CB 4.31Å; I128-Q130 PolarHBondContact O-N 2.77Å; Q130-D132 PolarHBondContact O-N 2.87Å
131T54.8Low56.7Low121 Ų121140.1 Ų140.174%0.74271%0.713SS**  trans-62.688.3164.6320000106.2E129 S133E129-T131 PolarHBondContact O-N 2.78Å; T131-S133 PolarHBondContact O-N 2.84Å
132D55.3Low55.5Low119 Ų119142.3 Ų142.364%0.63673%0.728SS**  trans-59.489.8161.4-76.2-26.6000106.4Q130 V134Q130-D132 PolarHBondContact O-N 2.87Å; D132-V134 HydrophobicContact CB-CG2 4.46Å; D132-V134 PolarHBondContact O-N 2.85Å
133S52.6Low54.8Low102 Ų102148 Ų14871%0.71375%0.75SS**  trans-68.479.316759.20000107T131 Q135T131-S133 PolarHBondContact O-N 2.84Å; S133-Q135 VanDerWaalsContact C-N 3.29Å; S133-Q135 PolarHBondContact O-N 2.8Å
134V55.8Low54.5Low126 Ų126150.5 Ų150.576%0.76475%0.754SS**  trans-59.798.2169.9177.40000106.6D132 S136D132-V134 HydrophobicContact CB-CG2 4.46Å; D132-V134 PolarHBondContact O-N 2.85Å; V134-S136 PolarHBondContact O-N 3.06Å
135Q57.5Low54.1Low156 Ų156149.8 Ų149.873%0.72976%0.763SS**  trans-62.2104.5172.6-73.1-177.7-28.500107.9S133 N137S133-Q135 VanDerWaalsContact C-N 3.29Å; S133-Q135 PolarHBondContact O-N 2.8Å; Q135-N137 PolarHBondContact O-N 2.9Å
136S55.6Low53.9Low98 Ų98151.1 Ų151.169%0.68577%0.766SS**  trans-70.181.8173.256.20000109.7V134 T138V134-S136 PolarHBondContact O-N 3.06Å; S136-T138 PolarHBondContact O-N 2.88Å
137N52.6Low53.8Low147 Ų147149.2 Ų149.279%0.78676%0.764SS**  trans-73.565.3169.5-79.4-22.6000110.5Q135 R139Q135-N137 PolarHBondContact O-N 2.9Å; N137-R139 PolarHBondContact O-N 2.92Å
138T58.4Low53.6Low118 Ų118146.9 Ų146.972%0.72476%0.763SS**  trans-83.990164.445.70000108.8S136 T140S136-T138 PolarHBondContact O-N 2.88Å; T138-T140 PolarHBondContact O-N 2.89Å
139R46.8Very low53.3Low205 Ų205148 Ų14877%0.77476%0.764SS**  trans-70.8108.9167.3176.2-176.9176.4166.42.4108.8N137 D141N137-R139 PolarHBondContact O-N 2.92Å; R139-D141 IonicContact CZ-OD2 3.99Å; R139-D141 IonicContact NE-OD1 2.73Å; R139-D141 IonicContact NE-OD2 3.85Å; R139-D141 PolarHBondContact NE-OD2 2.63Å; R139-D141 IonicContact NH2-OD2 3.99Å
140T57Low53.1Low132 Ų132147.1 Ų147.181%0.8177%0.77SS**  trans-122.2105.1161.744.80000107.4T138 D142T138-T140 PolarHBondContact O-N 2.89Å; T140-D142 PolarHBondContact O-N 2.86Å
141D49Very low53.4Low116 Ų116149.7 Ų149.762%0.6278%0.775SS**  trans-66.3122166.9-58-67.6000107.7R139R139-D141 IonicContact CZ-OD2 3.99Å; R139-D141 IonicContact NE-OD1 2.73Å; R139-D141 IonicContact NE-OD2 3.85Å; R139-D141 PolarHBondContact NE-OD2 2.63Å; R139-D141 IonicContact NH2-OD2 3.99Å
142D58.3Low53.4Low164 Ų164151.6 Ų151.688%0.87778%0.781SS**  trans-165.1136.8154.3-102.4-29.2000110.9T140T140-D142 PolarHBondContact O-N 2.86Å
143E52.5Low53.7Low176 Ų176153.5 Ų153.582%0.82279%0.791SS**  trans-75.6128-176.3-55.2170.8107.600111.4
144Y56.5Low54.3Low231 Ų231154 Ų15491%0.90679%0.791SS**  trans-143.1116.3147.6-93.9-69.9000113.4
145L49.4Very low54.9Low160 Ų160157.3 Ų157.384%0.83880%0.796SS**  trans-80.1115.2176.5-158.790000109.4
146F50.7Low55.4Low208 Ų208155.5 Ų155.591%0.91280%0.798SS**  trans-140.3130.4164.7-130.7-91.5000113.3
147K50.1Low56.1Low187 Ų187154.9 Ų154.981%0.81380%0.798SS**  trans-88.7134.9-176.4-71.9178.3174.4174.90111.1
148G44.6Very low56.8Low67 Ų67153.9 Ų153.969%0.69180%0.8SS**  trans65.6100.514000000118.2
149H54.1Low56.9Low166 Ų166154.6 Ų154.677%0.76980%0.804SS**  trans-141.2127.2138.3-88.4-69.8000109.8Y151H149-Y151 HydrophobicContact CB-CD2 4.39Å; H149-Y151 HydrophobicContact CB-CE2 3.87Å
150T52.1Low57.4Low142 Ų142154 Ų15487%0.87181%0.807SS**  trans-71.9126.4169.343.10000109.4
151Y56.9Low57.1Low203 Ų203153.1 Ų153.180%0.79680%0.802SS**  trans-114.2120170.8-79.2-84.5000110H149H149-Y151 HydrophobicContact CB-CD2 4.39Å; H149-Y151 HydrophobicContact CB-CE2 3.87Å
152D56.1Low57.4Low160 Ų160153.1 Ų153.186%0.85681%0.806SS**  trans-62135.9167.6-72.9-59.6000110P154D152-P154 VanDerWaalsContact O-CD 3.24Å; D152-P154 WeakPolarHBondContact O-CD 3.4Å
153N60.8Low57Low160 Ų160155.3 Ų155.386%0.85680%0.804SS**  trans-100.8102.6-167.3-158.2-7.6000109.9K155N153-K155 PolarHBondContact O-N 3.14Å
154P66Low56.6Low111 Ų111152.6 Ų152.672%0.72180%0.799SS**PPolyproline II helixtrans-74126.9-177.730-33.8000110.9D152D152-P154 VanDerWaalsContact O-CD 3.24Å; D152-P154 WeakPolarHBondContact O-CD 3.4Å
155K67.3Low56.2Low196 Ų196145.9 Ų145.985%0.85279%0.786SS**PPolyproline II helixtrans-48.6128.2177.8-176.6177.9-177.2176.20112N153 A157N153-K155 PolarHBondContact O-N 3.14Å; K155-A157 PolarHBondContact O-N 3.41Å
156P69.3Low56.1Low119 Ų119142.7 Ų142.777%0.77377%0.769SS**PPolyproline II helixtrans-65135.5178.526.1-33.6000111.2
157A69.5Low56.1Low84 Ų84141.6 Ų141.669%0.69476%0.764SS**PPolyproline II helixtrans-71.8149.3175.100000111K155 T159K155-A157 PolarHBondContact O-N 3.41Å; A157-T159 PolarHBondContact O-N 2.89Å
158P67.8Low56.1Low127 Ų127138.1 Ų138.183%0.82576%0.762SS**PPolyproline II helixtrans-69.1118.6-178.527.4-34.1000111.6K160P158-K160 PolarHBondContact O-N 3.32Å
159T60.3Low56.2Low132 Ų132142.9 Ų142.981%0.8177%0.772SS**PPolyproline II helixtrans-62.9117.2174.2-36.60000110.1A157 T161A157-T159 PolarHBondContact O-N 2.89Å; T159-T161 PolarHBondContact O-N 2.83Å; T159-T161 VanDerWaalsContact O-N 3.13Å
160K57Low56Low192 Ų192140.2 Ų140.284%0.83577%0.768SS**  trans-69.6106.7170.1-84.5-177.5174177.50109.6P158 T162P158-K160 PolarHBondContact O-N 3.32Å; K160-T162 PolarHBondContact O-N 3.37Å
161T51.2Low55.9Low115 Ų115136 Ų13671%0.70675%0.753SS**  trans-71.193.9167.8-46.60000109.5T159 Y163T159-T161 PolarHBondContact O-N 2.83Å; T159-T161 VanDerWaalsContact O-N 3.13Å; T161-Y163 PolarHBondContact O-N 2.84Å
162T55.1Low55.7Low115 Ų115133.8 Ų133.871%0.70675%0.754SS**  trans-73.9107.6170.7-56.20000108.9K160 V164K160-T162 PolarHBondContact O-N 3.37Å; T162-V164 PolarHBondContact O-N 2.88Å
163Y49.4Very low55.5Low211 Ų211134.5 Ų134.583%0.82775%0.746SS**  trans-65.8106.4166.9-80.4-93.3000109.3T161 S165T161-Y163 PolarHBondContact O-N 2.84Å; Y163-S165 PolarHBondContact O-N 2.84Å
164V44.6Very low55.3Low119 Ų119133.3 Ų133.372%0.72174%0.744SS**  trans-72.988.8163.8-1770000107.1T162 D166T162-V164 PolarHBondContact O-N 2.88Å; V164-D166 PolarHBondContact O-N 2.85Å
165S48.2Very low55Low90 Ų90133.2 Ų133.263%0.62974%0.742SS**  trans-65.1115.1160.2169.80000107.2Y163 K167Y163-S165 PolarHBondContact O-N 2.84Å; S165-K167 PolarHBondContact O-N 2.98Å
166D47.9Very low54.7Low93 Ų93129.8 Ų129.850%0.49774%0.739SS.*  trans-63.889.6168.7-62-66.6000108.8R124 V164 C168R124-D166 IonicContact CZ-OD2 3.59Å; R124-D166 IonicContact NH1-OD2 2.8Å; R124-D166 PolarHBondContact NH1-OD2 3.25Å; R124-D166 IonicContact NH2-OD2 2.74Å; R124-D166 PolarHBondContact NH2-OD2 2.86Å; V164-D166 PolarHBondContact O-N 2.85Å; D166-C168 PolarHBondContact O-N 2.7Å
167K49.2Very low54.3Low184 Ų184132.8 Ų132.880%0.874%0.743SS**  trans-63.8105.4166.9-70-174.9177.9-177.40106.9S165 N169S165-K167 PolarHBondContact O-N 2.98Å; K167-N169 PolarHBondContact O-N 3.17Å; K167-N169 VanDerWaalsContact O-N 3.08Å
168C50.6Low54.1Low115 Ų115137.9 Ų137.978%0.77775%0.75SS**  trans-46.6120.8160.4-600000107.4D166 T170D166-C168 PolarHBondContact O-N 2.7Å; C168-T170 PolarHBondContact O-N 3.42Å
169N47.6Very low54Low166 Ų166137.3 Ų137.389%0.88875%0.746SS**  trans-64.6101.6-171.9-139.3-1.3000108.2K167 G171K167-N169 PolarHBondContact O-N 3.17Å; K167-N169 VanDerWaalsContact O-N 3.08Å; N169-G171 PolarHBondContact O-N 2.88Å
170T49.9Very low54.4Low111 Ų111136.9 Ų136.968%0.68175%0.746SS**  trans-72.174.5171.247.40000108.2C168C168-T170 PolarHBondContact O-N 3.42Å
171G49.5Very low54.7Low54 Ų54133.1 Ų133.156%0.55774%0.743SS**  trans-59.8143.8161.300000109.1N169 Y173N169-G171 PolarHBondContact O-N 2.88Å; G171-Y173 PolarHBondContact O-N 3.35Å
172D53.1Low55.2Low156 Ų156132.9 Ų132.983%0.83475%0.746SS**  trans-51.7127.1-165.3-62.8-75000113.8V174D172-V174 VanDerWaalsContact C-N 3.34Å; D172-V174 PolarHBondContact O-N 2.95Å
173Y50.7Low55.7Low174 Ų174133.3 Ų133.368%0.68275%0.751SS**  trans-67.589.7175.6-80.9-89.3000110.6G171 V175G171-Y173 PolarHBondContact O-N 3.35Å; Y173-V175 PolarHBondContact O-N 3.11Å
174V56.4Low55.8Low135 Ų135132.7 Ų132.782%0.81875%0.753SS**  trans-68.698.9160.6-178.30000107.8D172D172-V174 VanDerWaalsContact C-N 3.34Å; D172-V174 PolarHBondContact O-N 2.95Å
175V60.4Low56.2Low109 Ų109136 Ų13666%0.66176%0.76SS**  trans-48.9126.3172177.20000109.3Y173 Q177Y173-V175 PolarHBondContact O-N 3.11Å; V175-Q177 PolarHBondContact O-N 3.11Å
176P61.8Low56.8Low124 Ų124137 Ų13781%0.80577%0.767SS**  trans-62.899.7174.1-21.933.4000109.9K178P176-K178 PolarHBondContact O-N 2.73Å
177Q60.7Low56.8Low182 Ų182139.2 Ų139.285%0.8578%0.784SS**  trans-62.6129.2172.3-73.2-168.8-5.900109.1V175V175-Q177 PolarHBondContact O-N 3.11Å
178K64.6Low57Low191 Ų191142.4 Ų142.483%0.8379%0.791SS**  trans-30.4128.5170.7-168.5178.1-172177.10111.6P176P176-K178 PolarHBondContact O-N 2.73Å
179P66.2Low57Low116 Ų116141.4 Ų141.475%0.75379%0.791SS**PPolyproline II helixtrans-57128.4-175.722.6-33.4000110.3S181P179-S181 PolarHBondContact O-N 2.93Å
180P67.8Low57.2Low123 Ų123138.2 Ų138.280%0.79979%0.788SS**PPolyproline II helixtrans-66.1132.1-174.824.8-33000110.6S182P180-S182 PolarHBondContact O-N 3Å
181S64.8Low57.4Low112 Ų112144.3 Ų144.378%0.78380%0.798SS**PPolyproline II helixtrans-59.2129.9170.749.40000110.3P179P179-S181 PolarHBondContact O-N 2.93Å
182S61.1Low57.6Low111 Ų111151.7 Ų151.778%0.77682%0.815SS**PPolyproline II helixtrans-49.5123.9-174.343.60000114.7P180P180-S182 PolarHBondContact O-N 3Å
183P65.3Low58Low124 Ų124150 Ų15081%0.80581%0.81SS**PPolyproline II helixtrans-77.4132.4164.529.4-28.4000110.2
184K52.6Low58.2Low197 Ų197152.5 Ų152.586%0.85782%0.818SS**PPolyproline II helixtrans-75.5170.2163.2-64.5174.2179.2174.10109.3
185Q52.7Low58.6Low189 Ų189152.9 Ų152.988%0.88381%0.814SS**  trans87.3147.9177.2-56.6179.70.400114.9
186S59.2Low58.2Low110 Ų110155.8 Ų155.877%0.76982%0.82SS**  cis-158.2168.3-17.653.40000111
187V49.1Very low58Low140 Ų140161.4 Ų161.485%0.84883%0.826SS**  trans-67.8127.4-179.6179.60000112.2
188R52.2Low57.8Low251 Ų251158.5 Ų158.595%0.94783%0.825SS**  trans-154.9157.5143.1-118173.7-176.7-174.60.5112.2
189A51.5Low57Low95 Ų95152.8 Ų152.879%0.78582%0.821SS**  trans-112.1176.9-155.100000114.7
190A52.3Low56.4Low99 Ų99152.4 Ų152.482%0.81883%0.827SS**  trans88.8103.1156.100000119.3
191R54.4Low55.5Low238 Ų238152 Ų15290%0.89883%0.828SS**  -150.9114.3120.7-132.9171.8178.8177.7-1.5111.3
192K52.8Low55Low210 Ų210156.2 Ų156.291%0.91383%0.832SS**  trans-79.5123.7166.5-81.4177.6175.11730108.2
193V62.2Low54.5Low120 Ų120160 Ų16073%0.72784%0.838SS**  trans-117.6122.1163.3179.60000107.7I195V193-I195 HydrophobicContact CG1-CG1 4.3Å
194R55.1Low53.9Low226 Ų226166 Ų16685%0.85384%0.844SS**  trans-103.696.1-172.6-175.4-172.8-162.3174.64.5108.8
195I65.1Low53.8Low143 Ų143166.8 Ų166.873%0.73385%0.847SS**  trans-94.1112.5171.5-60.5179.5000108.3V193 R197V193-I195 HydrophobicContact CG1-CG1 4.3Å; I195-R197 HydrophobicContact CG2-CG 4.49Å
196Q51.7Low53.7Low170 Ų170162.4 Ų162.479%0.79484%0.844SS**  trans-77.7123.5163.4-73.1177.8-36.400108.6
197R57.6Low53.3Low242 Ų242169.1 Ų169.191%0.91385%0.852SS**  trans-135134.3151.5-80.9-165169.5-176.8-3.7109.7I195I195-R197 HydrophobicContact CG2-CG 4.49Å
198S55.4Low53.5Low121 Ų121172.2 Ų172.285%0.84685%0.854SS**  trans-100.2151.8-169.549.20000112.3
199G48.5Very low53.3Low71 Ų71169.7 Ų169.773%0.73285%0.85SS**  trans100.7138.1149.200000116.7
200A53Low53.4Low108 Ų108176.1 Ų176.189%0.89386%0.855SS**  trans63.8137.4171.400000117
201S49.8Very low53.4Low116 Ų116177.6 Ų177.681%0.81185%0.854SS**  cis-146.1178.5-11.2-162.30000110.5
202K52.9Low52.9Low200 Ų200177.4 Ų177.487%0.8785%0.853SS**  trans-68.4-179.5-172-63.7162.4179.91720112.8
203E52Low52.8Low191 Ų191173.5 Ų173.589%0.89385%0.847SS**  trans9858.2161.5-155.7144.7-133.200118.8
204R52.2Low52.2Low250 Ų250173.7 Ų173.794%0.94384%0.844SS**  trans-14948.1161.5-139.4174.5-170-177.93.7114.5
205K49.3Very low52Low213 Ų213169.4 Ų169.493%0.92684%0.837SS**  trans-15552.8-177.4-110.5176.6-171.1-179.50114.9
206A51.2Low51.4Low97 Ų97170.3 Ų170.380%0.80284%0.843SS**  trans-151.9150.8165.500000111.3
207R51Low51.3Low250 Ų250171 Ų17194%0.94384%0.843SS**  trans89.857.4-177.6-55.8-176.8176-148.2-2.8117.3
208K52.6Low51.2Low205 Ų205169.4 Ų169.489%0.89184%0.843SS**  trans-111.8147136.8-82.5-175.6174.1-178.40107.7
209K49.5Very low51Low199 Ų199172.8 Ų172.887%0.86584%0.842SS**  trans81.4150.5-174.3-56.4-177.7174.6-177.10115.9
210Y53.6Low51.3Low229 Ų229178.2 Ų178.290%0.89885%0.848SS**  trans88.3128.3-167.3-61.1-71.2000115.5
211V50.3Low51.4Low130 Ų130181 Ų18179%0.78884%0.842SS**  cis-154.9160.2-27.9110.10000108.5
212R45.6Very low51.5Low234 Ų234181.2 Ų181.288%0.88384%0.841SS**  trans-80.1169.2177.7-165.5-179.9-168.31691.6110.1
213V50.2Low52Low128 Ų128178.5 Ų178.578%0.77684%0.841SS**  trans99.7131.4-177175.70000111.9
214D49.6Very low52.2Low125 Ų125179 Ų17967%0.66884%0.84SS**  cis-157.5167.5-19.5-115.8-37.3000112.2
215L50.5Low52.6Low136 Ų136175.2 Ų175.271%0.71284%0.839SS**  trans21.7122.3146.7-62155.6000119.8
216L53.5Low52.8Low162 Ų162174.4 Ų174.485%0.84884%0.835SS**  -174.1140.7102.5-99.7161000115.4
217K49.9Very low53.2Low183 Ų183179.2 Ų179.280%0.79684%0.841SS**  trans-57.9134.6178.9-59.1151.5176.3169.80113.2
218K55.4Low53.4Low209 Ų209173.6 Ų173.691%0.90984%0.835SS**  trans-135.2110.3140.7-85.5-169.7175.7177.80110.7
219K51.2Low53.4Low192 Ų192175.5 Ų175.584%0.83584%0.836SS**  trans-77.3142162-64.3176.4175-178.50107.9
220H54.8Low53.9Low185 Ų185172 Ų17286%0.85683%0.832SS**  trans-150.7159.6145.9-105.2-74.8000110.7
221H53.6Low53.9Low167 Ų167168.9 Ų168.977%0.77383%0.825SS**  trans-81.7159.4-154.4-80.1-105.6000115.6
222P52.2Low54Low120 Ų120174.2 Ų174.278%0.77983%0.831SS**  trans-82.8133.2167.133.9-31.8000111.2
223T63.4Low54.4Low143 Ų143171.5 Ų171.588%0.87783%0.828SS**  trans-108.5114.9165.536.90000110
224K56.4Low54.7Low202 Ų202176.9 Ų176.988%0.87884%0.835SS**  trans-75.4136.2165.1-64.9173.7179.1174.20107.7
225N60.9Low55.2Low170 Ų170176.7 Ų176.791%0.90984%0.84SS**  trans-130.6123.9151.5-121.7-1.6000109.4
226K53.1Low55.4Low197 Ų197180.2 Ų180.286%0.85785%0.85SS**  trans-81.8133168.9-78175169.7179.60107
227E59.5Low55.4Low198 Ų198183.6 Ų183.693%0.92585%0.851SS**  trans-145.4131.4147.6-135.4169.6-158.400111.1
228T56.3Low56Low132 Ų132180.7 Ų180.781%0.8185%0.849SS**  trans-99.2125.3-17240.50000110.5
229R53Low55.9Low244 Ų244182 Ų18292%0.92185%0.848SS**  trans-146.3107.1154.9-134.9169.9-177.9172.80.2114.8
230T59.9Low55.9Low125 Ų125181.5 Ų181.577%0.76785%0.846SS**  trans-13.9124.8158.953.50000119.4
231H52.8Low55.8Low164 Ų164180.3 Ų180.376%0.75985%0.846SS**  62.8100.7113.4-155.5-74.8000119.8
232R52.7Low56Low243 Ų243179.2 Ų179.292%0.91784%0.844SS**  trans-161.8116.7132.2-117.2172.9-179.21721.6112
233E54.2Low56.1Low176 Ų176183.3 Ų183.382%0.82285%0.85SS**  trans-69.3148.8170.1-57.9-179.1125.300111.2
234R56.9Low55.4Low242 Ų242187.5 Ų187.591%0.91385%0.85SS**  trans-137.3141.9155.6-82-166.9171-176-2.2110.2
235P60.1Low55.2Low120 Ų120188.9 Ų188.978%0.77985%0.85SS**  trans-81.3158.4-163.931.7-37000114.2R237P235-R237 PolarHBondContact O-N 3Å
236K54Low54.9Low210 Ų210188.2 Ų188.291%0.91385%0.846SS**  trans-61.4122.7173.2-60.7169.1-177.8171.80110.3
237R54.2Low54.9Low234 Ų234191.2 Ų191.288%0.88386%0.859SS**  trans-99.8109.2165-85.9-172.7170.4-174.3-3.1110.2P235P235-R237 PolarHBondContact O-N 3Å
238T62.3Low54.7Low121 Ų121190.9 Ų190.974%0.74286%0.856SS**  trans-76.7125.1173.845.20000111.4K240T238-K240 VanDerWaalsContact C-N 3.25Å; T238-K240 PolarHBondContact O-N 3.29Å
239W52.3Low54.6Low236 Ų236193.9 Ų193.989%0.89486%0.858SS**  trans-81.260.5177.3-80.949.1000112.7I242W239-I242 HydrophobicContact CE3-CD1 4.48Å; W239-I242 HydrophobicContact CZ3-CD1 4.48Å
240K51.9Low54.7Low183 Ų183191.2 Ų191.280%0.79686%0.855SS**  trans-104.5142.5158.1-77.7-174.9173.9-177.30107.9T238T238-K240 VanDerWaalsContact C-N 3.25Å; T238-K240 PolarHBondContact O-N 3.29Å
241N53.3Low54.4Low160 Ų160195.1 Ų195.186%0.85686%0.86SS**  trans86.658.3-179.6-51.1-10.3000117
242I57.3Low54.5Low143 Ų143197 Ų19773%0.73387%0.866SS**  trans-124.663.1151.6-50.5179.8000108.3W239W239-I242 HydrophobicContact CE3-CD1 4.48Å; W239-I242 HydrophobicContact CZ3-CD1 4.48Å
243F53.6Low54.6Low206 Ų206193.9 Ų193.990%0.90486%0.863SS**  trans-146.882.9170.8-98.1-73.5000108.4
244R49.4Very low54.6Low232 Ų232195.2 Ų195.288%0.87587%0.865SS**  trans-177.8141.5165-114.1176.3168-179.7-5.3106.9
245W51.7Low54.5Low231 Ų231191.6 Ų191.688%0.87586%0.862SS**  trans66.2119.2-158.9-54.777.3000111
246L53.6Low54Low156 Ų156197.6 Ų197.682%0.81787%0.869SS**  cis-117.8157.43.5-69.1102.9000111.9
247F54.5Low54Low259 Ų259196.5 Ų196.5100%1.13687%0.865SS**  cis27.10-11.1-62.6-55.6000118.8

Retrieved 247 of 247 residues in 151.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).