A0A087Y2Z9_POEFO Loading...

XIAP associated factor 1

AlphaFold DB , UniProt , Accession A0A087Y2Z9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 266 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
1M46.1Very low76.2Confident246 Ų246120.9 Ų120.9100%1.21262%0.62SS**  099.50-66.8170.8-178.600105.2N3M1-N3 PolarHBondContact O-N 3.08Å
2E53.8Low77Confident186 Ų186112.5 Ų112.587%0.86958%0.579SS**  trans-72.2124.8175.3-80161.598.100108.5T4E2-T4 VanDerWaalsContact C-N 3.3Å; E2-T4 PolarHBondContact O-N 3.07Å; E2-T4 VanDerWaalsContact O-N 3.12Å
3N58.9Low77.6Confident142 Ų142104.9 Ų104.976%0.75954%0.542SS*.  trans-84.878.9178.5-167.248.3000107.8M1 E5M1-N3 PolarHBondContact O-N 3.08Å; N3-E5 PolarHBondContact O-N 2.94Å
4T72.1Confident78.1Confident124 Ų124106.1 Ų106.176%0.76154%0.543SS*.  trans-68.796.7170.829.40000108.6E2E2-T4 VanDerWaalsContact C-N 3.3Å; E2-T4 PolarHBondContact O-N 3.07Å; E2-T4 VanDerWaalsContact O-N 3.12Å
5E79.5Confident78.6Confident135 Ų135108.2 Ų108.263%0.63155%0.547SS*.  trans-57.9132.1170.6-61.9-166.5124.900108.9N3 T7N3-E5 PolarHBondContact O-N 2.94Å; E5-T7 PolarHBondContact O-N 3.23Å
6P85.8Confident79.4Confident82 Ų82109.9 Ų109.953%0.53255%0.552SS.*  trans-63.6130.6-177.525.4-33.5000110.1A18 E19P6-A18 CarbonylContact O-C 3.53Å; P6-A18 WeakPolarHBondContact O-CA 3.47Å; P6-E19 HydrophobicContact CB-CB 4.26Å; P6-E19 HydrophobicContact CG-CB 4.09Å; P6-E19 WeakPolarHBondContact O-CB 3.36Å; P6-E19 PolarHBondContact O-N 3.02Å
7T90.1Very high80Confident80 Ų80104.6 Ų104.649%0.49153%0.527SS..EExtended strand (participates in β ladder)trans-111.4150.7176.953.40000111.2E5 E16 V17E5-T7 PolarHBondContact O-N 3.23Å; T7-E16 PolarHBondContact OG1-OE1 3.44Å; T7-V17 CarbonylContact C-O 3.44Å; T7-V17 WeakPolarHBondContact CA-O 3.31Å
8R89.1Confident80.7Confident120 Ų120100.2 Ų100.245%0.45351%0.509SS..EExtended strand (participates in β ladder)trans-132.9132172.3-178.8-179.7173.6-166.1-4.2109.6V17 F22R8-V17 PolarHBondContact N-O 3.39Å; R8-V17 PolarHBondContact O-N 3.1Å; R8-F22 HydrophobicContact CB-CD2 3.73Å; R8-F22 HydrophobicContact CB-CE2 4.01Å; R8-F22 HydrophobicContact CB-CG 4.39Å; R8-F22 HydrophobicContact CG-CD2 3.84Å; R8-F22 HydrophobicContact CG-CE2 3.6Å; R8-F22 HydrophobicContact CG-CZ 4.1Å; R8-F22 VanDerWaalsContact CZ-CE1 3.48Å; R8-F22 VanDerWaalsContact NH1-CE1 3.27Å
9T90.2Very high81.2Confident72 Ų72101 Ų10144%0.44251%0.511SS..EExtended strand (participates in β ladder)trans-74135.2176.1-44.70000111.2K15T9-K15 WeakPolarHBondContact CA-O 3.27Å
10C89.3Confident81.5Confident3 Ų3100.6 Ų100.62%0.0252%0.523CS..  trans-87.8120.2175.6-1780000111.3T12 C13 H14 K15 F22 C29C10-T12 PolarHBondContact O-N 2.76Å; C10-T12 VanDerWaalsContact O-N 3.1Å; C10-C13 PolarHBondContact O-N 3.04Å; C10-H14 VanDerWaalsContact O-CA 3.23Å; C10-H14 WeakPolarHBondContact O-CA 3.34Å; C10-H14 PolarHBondContact O-N 2.98Å; C10-K15 PolarHBondContact N-O 3.09Å; C10-F22 HydrophobicContact CB-CE2 4.22Å; C10-C29 VanDerWaalsContact SG-SG 3.62Å
11E83.6Confident81.9Confident140 Ų140100.2 Ų100.265%0.65452%0.522SS*.THydrogen-bonded Turntrans-60.5-19.6179.5-64165.8-175.900114.5
12T85.1Confident84Confident20 Ų2089.1 Ų89.112%0.12347%0.467CS..THydrogen-bonded Turntrans-94.9-22.1-176.4-51.90000113.4C10 C29 L33 A42C10-T12 PolarHBondContact O-N 2.76Å; C10-T12 VanDerWaalsContact O-N 3.1Å; T12-C29 VanDerWaalsContact CB-SG 3.59Å; T12-L33 HydrophobicContact CG2-CB 4.08Å; T12-A42 WeakPolarHBondContact O-CB 3.42Å
13C85.3Confident85.7Confident14 Ų1483.9 Ų83.910%0.09545%0.449CS..THydrogen-bonded Turntrans-1290.117874.70000114.7C10 K15 H25 L33 A42C10-C13 PolarHBondContact O-N 3.04Å; C13-K15 PolarHBondContact O-N 3.43Å; C13-H25 PolarHBondContact SG-NE2 2.96Å; C13-L33 HydrophobicContact CB-CD1 3.77Å; C13-A42 HydrophobicContact CB-CB 4.41Å
14H84.8Confident87.2Confident121 Ų12183.4 Ų83.456%0.5645%0.446SS*.  trans5517-179-60.899.2000115.6C10C10-H14 VanDerWaalsContact O-CA 3.23Å; C10-H14 WeakPolarHBondContact O-CA 3.34Å; C10-H14 PolarHBondContact O-N 2.98Å
15K86Confident88.1Confident138 Ų13879.9 Ų79.960%0.642%0.421SS*.  trans-90.6144.5175.1-62.5175.6-172.5-65.30111.4T9 C10 C13T9-K15 WeakPolarHBondContact CA-O 3.27Å; C10-K15 PolarHBondContact N-O 3.09Å; C13-K15 PolarHBondContact O-N 3.43Å
16E90.7Very high88.6Confident135 Ų13576.1 Ų76.163%0.63140%0.403SS*.EExtended strand (participates in β ladder)trans-73.3135.9166.6-63.1-172.190.800110.8T7T7-E16 PolarHBondContact OG1-OE1 3.44Å
17V89.9Confident88.7Confident20 Ų2076.7 Ų76.712%0.12141%0.405CS..EExtended strand (participates in β ladder)trans-136.4134.1-178.7-176.40000108.7T7 R8 E19 N21 F22 H25T7-V17 CarbonylContact C-O 3.44Å; T7-V17 WeakPolarHBondContact CA-O 3.31Å; R8-V17 PolarHBondContact N-O 3.39Å; R8-V17 PolarHBondContact O-N 3.1Å; V17-E19 PolarHBondContact O-N 2.94Å; V17-N21 HydrophobicContact CG1-CB 4.25Å; V17-F22 HydrophobicContact CB-CD2 4.26Å; V17-H25 HydrophobicContact CG1-CB 3.82Å; V17-H25 HydrophobicContact CG2-CB 4.31Å
18A91.9Very high88.7Confident25 Ų2578.4 Ų78.421%0.20741%0.407CS..EExtended strand (participates in β ladder)trans-54.4133.7174.300000111P6 A20 N21 F22P6-A18 CarbonylContact O-C 3.53Å; P6-A18 WeakPolarHBondContact O-CA 3.47Å; A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 2.79Å; A18-N21 CarbonylContact O-C 3.55Å; A18-N21 WeakPolarHBondContact O-CA 3.49Å; A18-N21 PolarHBondContact O-N 2.99Å; A18-F22 PolarHBondContact O-N 2.81Å
19E90.1Very high88.7Confident116 Ų11672.8 Ų72.854%0.54239%0.386SS..G310 helixtrans-56.5-39.4-170.4-168.8179.3141.100112.1P6 V17 N21 F22P6-E19 HydrophobicContact CB-CB 4.26Å; P6-E19 HydrophobicContact CG-CB 4.09Å; P6-E19 WeakPolarHBondContact O-CB 3.36Å; P6-E19 PolarHBondContact O-N 3.02Å; V17-E19 PolarHBondContact O-N 2.94Å; E19-N21 PolarHBondContact O-N 2.92Å; E19-F22 WeakPolarHBondContact O-CB 3.32Å; E19-F22 PolarHBondContact O-N 3Å; E19-F22 VanDerWaalsContact O-N 3.13Å
20A88.4Confident88.5Confident92 Ų9274 Ų7476%0.7639%0.386SS*.G310 helixtrans-59-31.1175.200000113.8A18A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 2.79Å
21N89.2Confident88.5Confident93 Ų9382.4 Ų82.450%0.49742%0.417SS..G310 helixtrans-97.4-9.2179.6-67.2-39.7000112.9V17 A18 E19 L24 H25V17-N21 HydrophobicContact CG1-CB 4.25Å; A18-N21 CarbonylContact O-C 3.55Å; A18-N21 WeakPolarHBondContact O-CA 3.49Å; A18-N21 PolarHBondContact O-N 2.99Å; E19-N21 PolarHBondContact O-N 2.92Å; N21-L24 PolarHBondContact O-N 2.87Å; N21-H25 PolarHBondContact O-N 3.3Å
22F90.8Very high88.7Confident13 Ų1380.1 Ų80.16%0.05741%0.405CS..Hα-helixtrans-56.9-42.3-175.1-170.4-86.1000113.7R8 C10 V17 A18 E19 L24 H25 E26R8-F22 HydrophobicContact CB-CD2 3.73Å; R8-F22 HydrophobicContact CB-CE2 4.01Å; R8-F22 HydrophobicContact CB-CG 4.39Å; R8-F22 HydrophobicContact CG-CD2 3.84Å; R8-F22 HydrophobicContact CG-CE2 3.6Å; R8-F22 HydrophobicContact CG-CZ 4.1Å; R8-F22 VanDerWaalsContact CZ-CE1 3.48Å; R8-F22 VanDerWaalsContact NH1-CE1 3.27Å; C10-F22 HydrophobicContact CB-CE2 4.22Å; V17-F22 HydrophobicContact CB-CD2 4.26Å; A18-F22 PolarHBondContact O-N 2.81Å; E19-F22 WeakPolarHBondContact O-CB 3.32Å; E19-F22 PolarHBondContact O-N 3Å; E19-F22 VanDerWaalsContact O-N 3.13Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 3.14Å; F22-H25 PolarHBondContact O-N 3.33Å; F22-E26 HydrophobicContact CD1-CB 4.22Å; F22-E26 HydrophobicContact CE1-CB 3.95Å; F22-E26 HydrophobicContact CE1-CG 4.28Å; F22-E26 WeakPolarHBondContact CE1-OE2 3.26Å; F22-E26 VanDerWaalsContact O-CB 3.25Å; F22-E26 WeakPolarHBondContact O-CB 3.13Å; F22-E26 PolarHBondContact O-N 3Å
23P89.9Confident89Confident77 Ų7781.3 Ų81.350%0.541%0.411SS..Hα-helixtrans-64.2-35.8179.9-23.134.8000113.8T27P23-T27 WeakPolarHBondContact O-CG2 3.23Å; P23-T27 PolarHBondContact O-N 2.94Å; P23-T27 PolarHBondContact O-OG1 3.23Å
24L89.4Confident89.2Confident132 Ų13281.6 Ų81.669%0.69141%0.413SS*.Hα-helixtrans-71.3-42.7175.4-66.9175.3000110.7N21 F22 T27 H28N21-L24 PolarHBondContact O-N 2.87Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 3.14Å; L24-T27 PolarHBondContact O-OG1 2.91Å; L24-T27 VanDerWaalsContact O-OG1 3.12Å; L24-H28 WeakPolarHBondContact O-CB 3.46Å; L24-H28 PolarHBondContact O-N 2.86Å; L24-H28 VanDerWaalsContact O-N 3.16Å
25H90.6Very high89.4Confident49 Ų4978.2 Ų78.223%0.22740%0.4CS..Hα-helixtrans-63.1-46.9174.5179.494.3000111.8C13 V17 N21 F22 T27 H28 C29C13-H25 PolarHBondContact SG-NE2 2.96Å; V17-H25 HydrophobicContact CG1-CB 3.82Å; V17-H25 HydrophobicContact CG2-CB 4.31Å; N21-H25 PolarHBondContact O-N 3.3Å; F22-H25 PolarHBondContact O-N 3.33Å; H25-T27 PolarHBondContact O-N 2.89Å; H25-H28 PolarHBondContact O-N 3.43Å; H25-C29 WeakPolarHBondContact O-CB 3.47Å; H25-C29 PolarHBondContact O-N 3.5Å
26E90.1Very high89.6Confident56 Ų5671.7 Ų71.726%0.26237%0.372SS..Hα-helixtrans-58.6-47.5-177.4179.2179.3-172.200111.3F22 C29 K30F22-E26 HydrophobicContact CD1-CB 4.22Å; F22-E26 HydrophobicContact CE1-CB 3.95Å; F22-E26 HydrophobicContact CE1-CG 4.28Å; F22-E26 WeakPolarHBondContact CE1-OE2 3.26Å; F22-E26 VanDerWaalsContact O-CB 3.25Å; F22-E26 WeakPolarHBondContact O-CB 3.13Å; F22-E26 PolarHBondContact O-N 3Å; E26-C29 PolarHBondContact O-N 2.87Å; E26-K30 HydrophobicContact CG-CD 3.88Å; E26-K30 HydrophobicContact CG-CG 4.44Å; E26-K30 VanDerWaalsContact O-CB 3.26Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 WeakPolarHBondContact O-CG 3.41Å; E26-K30 PolarHBondContact O-N 3.18Å; E26-K30 WeakPolarHBondContact OE1-CE 3.33Å; E26-K30 IonicContact OE1-NZ 3.79Å; E26-K30 PolarHBondContact OE1-NZ 3.26Å
27T88.9Confident89.3Confident94 Ų9469.2 Ų69.258%0.57737%0.368SS*.Hα-helixtrans-66.7-38.5178.851.40000112.6P23 L24 H25 R31P23-T27 WeakPolarHBondContact O-CG2 3.23Å; P23-T27 PolarHBondContact O-N 2.94Å; P23-T27 PolarHBondContact O-OG1 3.23Å; L24-T27 PolarHBondContact O-OG1 2.91Å; L24-T27 VanDerWaalsContact O-OG1 3.12Å; H25-T27 PolarHBondContact O-N 2.89Å; T27-R31 VanDerWaalsContact O-CB 3.23Å; T27-R31 WeakPolarHBondContact O-CB 3.36Å; T27-R31 PolarHBondContact O-N 3.08Å
28H89.1Confident89Confident116 Ų11671.6 Ų71.654%0.53738%0.38SS..Hα-helixtrans-66.8-50.8173.7-174-83.3000111.7L24 H25 R31 F32L24-H28 WeakPolarHBondContact O-CB 3.46Å; L24-H28 PolarHBondContact O-N 2.86Å; L24-H28 VanDerWaalsContact O-N 3.16Å; H25-H28 PolarHBondContact O-N 3.43Å; H28-R31 WeakPolarHBondContact O-CB 3.46Å; H28-R31 PolarHBondContact O-N 3.44Å; H28-R31 VanDerWaalsContact O-N 3.11Å; H28-F32 AromaticContact CD2-CD2 3.77Å; H28-F32 AromaticContact CD2-CE2 3.6Å; H28-F32 AromaticContact CE1-CD2 3.57Å; H28-F32 AromaticContact CG-CD2 3.93Å; H28-F32 AromaticContact ND1-CD2 3.81Å; H28-F32 AromaticContact NE2-CD2 3.53Å; H28-F32 AromaticContact NE2-CE2 3.49Å; H28-F32 WeakPolarHBondContact NE2-CE2 3.47Å; H28-F32 VanDerWaalsContact O-CD2 3.26Å; H28-F32 WeakPolarHBondContact O-CD2 3.31Å; H28-F32 PolarHBondContact O-N 2.68Å
29C89.3Confident88.6Confident2 Ų272.9 Ų72.91%0.01439%0.387CS..Hα-helixtrans-59.8-52.7-178.2-169.60000111.2C10 T12 H25 E26 R31 F32 L33C10-C29 VanDerWaalsContact SG-SG 3.62Å; T12-C29 VanDerWaalsContact CB-SG 3.59Å; H25-C29 WeakPolarHBondContact O-CB 3.47Å; H25-C29 PolarHBondContact O-N 3.5Å; E26-C29 PolarHBondContact O-N 2.87Å; C29-R31 PolarHBondContact O-N 3.29Å; C29-F32 PolarHBondContact O-N 2.68Å; C29-L33 WeakPolarHBondContact O-CA 3.27Å; C29-L33 WeakPolarHBondContact O-CB 3.43Å; C29-L33 PolarHBondContact O-N 3.46Å
30K86.8Confident88.3Confident97 Ų9772.8 Ų72.842%0.42239%0.39SS..Hα-helixtrans-64-20.3175.7-71.5-179.4174.8175.60113.6E26 K45E26-K30 HydrophobicContact CG-CD 3.88Å; E26-K30 HydrophobicContact CG-CG 4.44Å; E26-K30 VanDerWaalsContact O-CB 3.26Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 WeakPolarHBondContact O-CG 3.41Å; E26-K30 PolarHBondContact O-N 3.18Å; E26-K30 WeakPolarHBondContact OE1-CE 3.33Å; E26-K30 IonicContact OE1-NZ 3.79Å; E26-K30 PolarHBondContact OE1-NZ 3.26Å; K30-K45 PolarHBondContact O-NZ 3.09Å
31R89Confident88.2Confident181 Ų18173.7 Ų73.768%0.68338%0.378SS*.Hα-helixtrans-77.7-50.6175-178174.7-179.7175.9-0.3111.4T27 H28 C29 K45T27-R31 VanDerWaalsContact O-CB 3.23Å; T27-R31 WeakPolarHBondContact O-CB 3.36Å; T27-R31 PolarHBondContact O-N 3.08Å; H28-R31 WeakPolarHBondContact O-CB 3.46Å; H28-R31 PolarHBondContact O-N 3.44Å; H28-R31 VanDerWaalsContact O-N 3.11Å; C29-R31 PolarHBondContact O-N 3.29Å; R31-K45 WeakPolarHBondContact O-CD 3.45Å; R31-K45 WeakPolarHBondContact O-CE 3.5Å; R31-K45 PolarHBondContact O-NZ 3.47Å; R31-K45 VanDerWaalsContact O-NZ 3.11Å
32F87.8Confident88.2Confident91 Ų9170.7 Ų70.740%0.39937%0.367SS..Hα-helixtrans-97.2-32.3-169.2-65.5-72.3000114.8H28 C29 P44 K45H28-F32 AromaticContact CD2-CD2 3.77Å; H28-F32 AromaticContact CD2-CE2 3.6Å; H28-F32 AromaticContact CE1-CD2 3.57Å; H28-F32 AromaticContact CG-CD2 3.93Å; H28-F32 AromaticContact ND1-CD2 3.81Å; H28-F32 AromaticContact NE2-CD2 3.53Å; H28-F32 AromaticContact NE2-CE2 3.49Å; H28-F32 WeakPolarHBondContact NE2-CE2 3.47Å; H28-F32 VanDerWaalsContact O-CD2 3.26Å; H28-F32 WeakPolarHBondContact O-CD2 3.31Å; H28-F32 PolarHBondContact O-N 2.68Å; C29-F32 PolarHBondContact O-N 2.68Å; F32-P44 CarbonylContact O-C 3.59Å; F32-P44 WeakPolarHBondContact O-CA 3.4Å; F32-K45 PolarHBondContact O-N 2.79Å
33L90.5Very high88.2Confident46 Ų4670.5 Ų70.524%0.24137%0.366CS..EExtended strand (participates in β ladder)trans-102154.7-178.7-59.5179.8000111.8T12 C13 C29 P44 K45T12-L33 HydrophobicContact CG2-CB 4.08Å; C13-L33 HydrophobicContact CB-CD1 3.77Å; C29-L33 WeakPolarHBondContact O-CA 3.27Å; C29-L33 WeakPolarHBondContact O-CB 3.43Å; C29-L33 PolarHBondContact O-N 3.46Å; L33-P44 HydrophobicContact CD2-CB 4.34Å; L33-P44 HydrophobicContact CD2-CG 3.99Å; L33-K45 WeakPolarHBondContact O-CE 3.44Å
34S89Confident88.2Confident20 Ų2068.6 Ų68.614%0.1435%0.354CS..EExtended strand (participates in β ladder)trans-144.5133.317542.20000109.3V43 K45S34-V43 PolarHBondContact N-O 3.27Å; S34-V43 PolarHBondContact O-N 3.17Å; S34-V43 PolarHBondContact OG-O 3.38Å; S34-V43 VanDerWaalsContact OG-O 3.13Å; S34-K45 WeakPolarHBondContact OG-CG 3.25Å
35V90.6Very high88.3Confident50 Ų5067.1 Ų67.130%0.30334%0.342SS..EExtended strand (participates in β ladder)trans-69.3129.6171.4-179.90000109D40 E41V35-D40 HydrophobicContact CG1-CB 4.16Å; V35-E41 CarbonylContact C-O 3.37Å; V35-E41 WeakPolarHBondContact CA-O 3.27Å
36C88.8Confident88.3Confident0 Ų070.4 Ų70.40%036%0.361CS..  trans-74.9123.2173.5-174.90000109.4D38 C39 D40 E41 V43 L48 H51C36-D38 PolarHBondContact O-N 3.47Å; C36-D38 VanDerWaalsContact O-N 3.17Å; C36-C39 VanDerWaalsContact CB-SG 3.57Å; C36-C39 PolarHBondContact O-N 3.42Å; C36-D40 WeakPolarHBondContact O-CA 3.35Å; C36-D40 PolarHBondContact O-N 3.31Å; C36-E41 PolarHBondContact N-O 3.46Å; C36-V43 HydrophobicContact CB-CG2 4.39Å; C36-L48 HydrophobicContact CB-CD1 3.83Å; C36-H51 VanDerWaalsContact SG-CD2 3.59Å; C36-H51 PolarHBondContact SG-NE2 3.26Å; C36-H51 VanDerWaalsContact SG-NE2 3.41Å
37P85.4Confident88.3Confident84 Ų8472 Ų7255%0.54537%0.369SS..THydrogen-bonded Turntrans-77.50.8-175.434.5-37.8000113.9
38D83.8Confident88.3Confident69 Ų6969 Ų6937%0.36935%0.349SS..THydrogen-bonded Turntrans-102.1-18.6179.3-50.8-63.6000112.1C36 R52 H56C36-D38 PolarHBondContact O-N 3.47Å; C36-D38 VanDerWaalsContact O-N 3.17Å; D38-R52 IonicContact OD1-NH1 3.91Å; D38-R52 IonicContact OD2-CZ 3.19Å; D38-R52 IonicContact OD2-NE 3.63Å; D38-R52 IonicContact OD2-NH1 3.99Å; D38-R52 PolarHBondContact OD2-NH1 2.88Å; D38-H56 HydrophobicContact CB-CB 4.46Å; D38-H56 WeakPolarHBondContact CB-CE1 3.22Å; D38-H56 VanDerWaalsContact CB-ND1 3.28Å; D38-H56 WeakPolarHBondContact CB-ND1 3.44Å; D38-H56 PolarHBondContact O-CE1 3.03Å
39C83.7Confident88.3Confident52 Ų5268 Ų6835%0.35136%0.355SS..THydrogen-bonded Turntrans-142.70.3178.9600000115.6C36 E41 H51 H56C36-C39 VanDerWaalsContact CB-SG 3.57Å; C36-C39 PolarHBondContact O-N 3.42Å; C39-E41 PolarHBondContact O-N 2.91Å; C39-E41 VanDerWaalsContact O-N 3.11Å; C39-E41 VanDerWaalsContact SG-CB 3.56Å; C39-H51 PolarHBondContact SG-NE2 3.11Å; C39-H56 PolarHBondContact SG-NE2 3.41Å
40D84.2Confident88.4Confident115 Ų11572.7 Ų72.762%0.61538%0.377SS*.  trans56.815.4-172.9-64.7-51.9000116.1V35 C36V35-D40 HydrophobicContact CG1-CB 4.16Å; C36-D40 WeakPolarHBondContact O-CA 3.35Å; C36-D40 PolarHBondContact O-N 3.31Å
41E85.4Confident88.6Confident110 Ų11069 Ų6951%0.51436%0.361SS..  trans-72.6140.8176-162.1-171.9152.800112.4V35 C36 C39 V43 H51V35-E41 CarbonylContact C-O 3.37Å; V35-E41 WeakPolarHBondContact CA-O 3.27Å; C36-E41 PolarHBondContact N-O 3.46Å; C39-E41 PolarHBondContact O-N 2.91Å; C39-E41 VanDerWaalsContact O-N 3.11Å; C39-E41 VanDerWaalsContact SG-CB 3.56Å; E41-V43 HydrophobicContact CB-CG2 4.2Å; E41-V43 HydrophobicContact CG-CG2 4.3Å; E41-V43 PolarHBondContact O-N 2.69Å; E41-H51 IonicContact OE2-CE1 2.83Å; E41-H51 PolarHBondContact OE2-CE1 3.23Å; E41-H51 VanDerWaalsContact OE2-CE1 3.25Å; E41-H51 IonicContact OE2-ND1 3.57Å
42A89.3Confident88.6Confident31 Ų3164.9 Ų64.926%0.25635%0.346SS..EExtended strand (participates in β ladder)trans-83.886179.300000112.7T12 C13T12-A42 WeakPolarHBondContact O-CB 3.42Å; C13-A42 HydrophobicContact CB-CB 4.41Å
43V89.9Confident88.6Confident8 Ų867.2 Ų67.25%0.04836%0.358CS..EExtended strand (participates in β ladder)trans-98.9143.9-173.5-172.40000111.6S34 C36 E41 K45 Q47 L48 H51S34-V43 PolarHBondContact N-O 3.27Å; S34-V43 PolarHBondContact O-N 3.17Å; S34-V43 PolarHBondContact OG-O 3.38Å; S34-V43 VanDerWaalsContact OG-O 3.13Å; C36-V43 HydrophobicContact CB-CG2 4.39Å; E41-V43 HydrophobicContact CB-CG2 4.2Å; E41-V43 HydrophobicContact CG-CG2 4.3Å; E41-V43 PolarHBondContact O-N 2.69Å; V43-K45 PolarHBondContact O-N 3.12Å; V43-Q47 HydrophobicContact CG1-CB 4.18Å; V43-L48 HydrophobicContact CB-CD1 4.26Å; V43-H51 HydrophobicContact CG1-CB 3.82Å; V43-H51 HydrophobicContact CG2-CB 4.3Å
44P90.8Very high88.5Confident37 Ų3769 Ų6924%0.2437%0.365CS..EExtended strand (participates in β ladder)trans-56.1137.1169.2-23.433.9000112.2F32 L33 D46 Q47 L48F32-P44 CarbonylContact O-C 3.59Å; F32-P44 WeakPolarHBondContact O-CA 3.4Å; L33-P44 HydrophobicContact CD2-CB 4.34Å; L33-P44 HydrophobicContact CD2-CG 3.99Å; P44-D46 VanDerWaalsContact CB-OD1 3.29Å; P44-D46 WeakPolarHBondContact CB-OD1 3.45Å; P44-D46 PolarHBondContact O-N 3.43Å; P44-Q47 HydrophobicContact CB-CB 4.27Å; P44-Q47 CarbonylContact O-C 3.45Å; P44-Q47 WeakPolarHBondContact O-CA 3.23Å; P44-Q47 PolarHBondContact O-N 3.14Å; P44-L48 PolarHBondContact O-N 3.47Å
45K90.7Very high88.2Confident102 Ų10271.5 Ų71.544%0.44337%0.374SS..THydrogen-bonded Turntrans-60.7-32.6-174.9-75.7-178.8-170.81720113.9K30 R31 F32 L33 S34 V43 Q47K30-K45 PolarHBondContact O-NZ 3.09Å; R31-K45 WeakPolarHBondContact O-CD 3.45Å; R31-K45 WeakPolarHBondContact O-CE 3.5Å; R31-K45 PolarHBondContact O-NZ 3.47Å; R31-K45 VanDerWaalsContact O-NZ 3.11Å; F32-K45 PolarHBondContact O-N 2.79Å; L33-K45 WeakPolarHBondContact O-CE 3.44Å; S34-K45 WeakPolarHBondContact OG-CG 3.25Å; V43-K45 PolarHBondContact O-N 3.12Å; K45-Q47 VanDerWaalsContact C-N 3.29Å
46D90.7Very high88Confident117 Ų11769.9 Ų69.963%0.62636%0.363SS*.THydrogen-bonded Turntrans-66.3-30.1173.351.9-68.6000112.6P44P44-D46 VanDerWaalsContact CB-OD1 3.29Å; P44-D46 WeakPolarHBondContact CB-OD1 3.45Å; P44-D46 PolarHBondContact O-N 3.43Å
47Q89.8Confident88.1Confident89 Ų8972.4 Ų72.442%0.41638%0.379SS..THydrogen-bonded Turntrans-100.8-11.3-178.6-73.9154.659.100113.7V43 P44 K45 S49 Q50 H51V43-Q47 HydrophobicContact CG1-CB 4.18Å; P44-Q47 HydrophobicContact CB-CB 4.27Å; P44-Q47 CarbonylContact O-C 3.45Å; P44-Q47 WeakPolarHBondContact O-CA 3.23Å; P44-Q47 PolarHBondContact O-N 3.14Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; Q47-S49 PolarHBondContact O-N 2.73Å; Q47-Q50 CarbonylContact O-C 3.6Å; Q47-Q50 WeakPolarHBondContact O-CA 3.46Å; Q47-Q50 WeakPolarHBondContact O-CB 3Å; Q47-Q50 PolarHBondContact O-N 3.47Å; Q47-H51 PolarHBondContact O-N 3.44Å
48L90.2Very high88.2Confident32 Ų3275.5 Ų75.517%0.16838%0.384CS..Hα-helixtrans-54-40.2-178-179.866.7000112.8C36 V43 P44 R52C36-L48 HydrophobicContact CB-CD1 3.83Å; V43-L48 HydrophobicContact CB-CD1 4.26Å; P44-L48 PolarHBondContact O-N 3.47Å; L48-R52 WeakPolarHBondContact O-CG 3.17Å; L48-R52 PolarHBondContact O-N 2.81Å
49S89.6Confident88.5Confident94 Ų9473.8 Ų73.866%0.65738%0.376SS*.Hα-helixtrans-64.7-42.8176.3-57.30000112.2Q47 R52 E53Q47-S49 PolarHBondContact O-N 2.73Å; S49-R52 PolarHBondContact O-N 3.11Å; S49-E53 PolarHBondContact O-N 3Å
50Q91.4Very high88.8Confident102 Ų10277.9 Ų77.948%0.47739%0.388SS..Hα-helixtrans-67.4-47.1178-179.7178.2200111Q47 R52 E53 E54Q47-Q50 CarbonylContact O-C 3.6Å; Q47-Q50 WeakPolarHBondContact O-CA 3.46Å; Q47-Q50 WeakPolarHBondContact O-CB 3Å; Q47-Q50 PolarHBondContact O-N 3.47Å; Q50-R52 VanDerWaalsContact C-N 3.27Å; Q50-R52 PolarHBondContact O-N 3.34Å; Q50-E53 CarbonylContact O-C 3.55Å; Q50-E53 PolarHBondContact O-N 3.45Å; Q50-E54 HydrophobicContact CG-CG 4.22Å; Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E54 PolarHBondContact NE2-OE1 2.68Å; Q50-E54 WeakPolarHBondContact O-CB 3.41Å; Q50-E54 WeakPolarHBondContact O-CG 3.36Å; Q50-E54 PolarHBondContact O-N 3.4Å
51H90.5Very high89.1Confident20 Ų2072.4 Ų72.49%0.09336%0.358CS..Hα-helixtrans-54.7-42.5174.4163.897.3000111.6C36 C39 E41 V43 Q47 E54 Q55 H56C36-H51 VanDerWaalsContact SG-CD2 3.59Å; C36-H51 PolarHBondContact SG-NE2 3.26Å; C36-H51 VanDerWaalsContact SG-NE2 3.41Å; C39-H51 PolarHBondContact SG-NE2 3.11Å; E41-H51 IonicContact OE2-CE1 2.83Å; E41-H51 PolarHBondContact OE2-CE1 3.23Å; E41-H51 VanDerWaalsContact OE2-CE1 3.25Å; E41-H51 IonicContact OE2-ND1 3.57Å; V43-H51 HydrophobicContact CG1-CB 3.82Å; V43-H51 HydrophobicContact CG2-CB 4.3Å; Q47-H51 PolarHBondContact O-N 3.44Å; H51-E54 PolarHBondContact O-N 2.81Å; H51-Q55 VanDerWaalsContact O-CB 3.31Å; H51-Q55 WeakPolarHBondContact O-CB 3.22Å; H51-Q55 WeakPolarHBondContact O-CG 3.43Å; H51-Q55 PolarHBondContact O-N 2.86Å; H51-H56 AromaticContact NE2-CD2 3.64Å; H51-H56 AromaticContact NE2-NE2 3.49Å; H51-H56 PolarHBondContact NE2-NE2 3.29Å
52R88.2Confident89.2Confident94 Ų9471 Ų7136%0.35536%0.361SS..Hα-helixtrans-65.2-41.5174.7-74.2-178.7-173-125.327.2113D38 L48 S49 Q50 E54 H56 T57D38-R52 IonicContact OD1-NH1 3.91Å; D38-R52 IonicContact OD2-CZ 3.19Å; D38-R52 IonicContact OD2-NE 3.63Å; D38-R52 IonicContact OD2-NH1 3.99Å; D38-R52 PolarHBondContact OD2-NH1 2.88Å; L48-R52 WeakPolarHBondContact O-CG 3.17Å; L48-R52 PolarHBondContact O-N 2.81Å; S49-R52 PolarHBondContact O-N 3.11Å; Q50-R52 VanDerWaalsContact C-N 3.27Å; Q50-R52 PolarHBondContact O-N 3.34Å; R52-E54 VanDerWaalsContact C-N 3.28Å; R52-E54 PolarHBondContact O-N 3.41Å; R52-H56 CarbonylContact O-C 3.56Å; R52-H56 VanDerWaalsContact O-CA 3.29Å; R52-H56 WeakPolarHBondContact O-CA 3.33Å; R52-H56 WeakPolarHBondContact O-CB 3.46Å; R52-H56 PolarHBondContact O-N 3.44Å; R52-T57 PolarHBondContact O-N 3.37Å; R52-T57 VanDerWaalsContact O-N 3.13Å
53E88.5Confident89Confident140 Ų14075.9 Ų75.965%0.65438%0.376SS*.Hα-helixtrans-67.2-31.5175.8-173.4169.5-168.100112.1S49 Q50 T57 R70S49-E53 PolarHBondContact O-N 3Å; Q50-E53 CarbonylContact O-C 3.55Å; Q50-E53 PolarHBondContact O-N 3.45Å; E53-T57 WeakPolarHBondContact CA-OG1 3.27Å; E53-T57 WeakPolarHBondContact O-CB 3.21Å; E53-T57 PolarHBondContact O-OG1 3.09Å; E53-R70 PolarHBondContact O-NH1 3.38Å
54E87.1Confident88.9Confident83 Ų8376.6 Ų76.639%0.38838%0.381SS..Hα-helixtrans-83.2-43.1-178.8-73.8179.7-175.200113.3Q50 H51 R52 R70Q50-E54 HydrophobicContact CG-CG 4.22Å; Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E54 PolarHBondContact NE2-OE1 2.68Å; Q50-E54 WeakPolarHBondContact O-CB 3.41Å; Q50-E54 WeakPolarHBondContact O-CG 3.36Å; Q50-E54 PolarHBondContact O-N 3.4Å; H51-E54 PolarHBondContact O-N 2.81Å; R52-E54 VanDerWaalsContact C-N 3.28Å; R52-E54 PolarHBondContact O-N 3.41Å; E54-R70 VanDerWaalsContact CA-NH1 3.34Å; E54-R70 WeakPolarHBondContact O-CB 3.29Å; E54-R70 VanDerWaalsContact O-CD 3.22Å; E54-R70 WeakPolarHBondContact O-CD 3.14Å; E54-R70 PolarHBondContact O-NH1 3.43Å
55Q83.1Confident88.7Confident72 Ų7279.9 Ų79.934%0.33640%0.397SS..Hα-helixtrans-100.6-41.2-174-56.2-53.4-32.300112.6H51 R70 C71H51-Q55 VanDerWaalsContact O-CB 3.31Å; H51-Q55 WeakPolarHBondContact O-CB 3.22Å; H51-Q55 WeakPolarHBondContact O-CG 3.43Å; H51-Q55 PolarHBondContact O-N 2.86Å; Q55-R70 WeakPolarHBondContact O-CA 3.47Å; Q55-R70 WeakPolarHBondContact O-CB 3.41Å; Q55-R70 PolarHBondContact O-N 3.02Å; Q55-C71 HydrophobicContact CB-CB 4.18Å; Q55-C71 PolarHBondContact O-N 3.15Å
56H87.5Confident88.4Confident17 Ų1780.1 Ų80.18%0.07940%0.398CS..SBendtrans-98.2-0.8-171.9-65.6-72.6000114.7D38 C39 H51 R52 K58 E69D38-H56 HydrophobicContact CB-CB 4.46Å; D38-H56 WeakPolarHBondContact CB-CE1 3.22Å; D38-H56 VanDerWaalsContact CB-ND1 3.28Å; D38-H56 WeakPolarHBondContact CB-ND1 3.44Å; D38-H56 PolarHBondContact O-CE1 3.03Å; C39-H56 PolarHBondContact SG-NE2 3.41Å; H51-H56 AromaticContact NE2-CD2 3.64Å; H51-H56 AromaticContact NE2-NE2 3.49Å; H51-H56 PolarHBondContact NE2-NE2 3.29Å; R52-H56 CarbonylContact O-C 3.56Å; R52-H56 VanDerWaalsContact O-CA 3.29Å; R52-H56 WeakPolarHBondContact O-CA 3.33Å; R52-H56 WeakPolarHBondContact O-CB 3.46Å; R52-H56 PolarHBondContact O-N 3.44Å; H56-K58 PolarHBondContact O-N 3.46Å; H56-E69 IonicContact CE1-OE1 2.66Å; H56-E69 IonicContact CG-OE1 3.64Å; H56-E69 IonicContact ND1-OE1 3.25Å; H56-E69 PolarHBondContact ND1-OE1 3.42Å
57T89.7Confident88.3Confident53 Ų5382.3 Ų82.333%0.32540%0.402SS..SBendtrans-63.7121.8170.5-720000110.5R52 E53 V59 R70R52-T57 PolarHBondContact O-N 3.37Å; R52-T57 VanDerWaalsContact O-N 3.13Å; E53-T57 WeakPolarHBondContact CA-OG1 3.27Å; E53-T57 WeakPolarHBondContact O-CB 3.21Å; E53-T57 PolarHBondContact O-OG1 3.09Å; T57-V59 HydrophobicContact CG2-CG1 4.45Å; T57-V59 PolarHBondContact O-N 3.44Å; T57-R70 PolarHBondContact O-N 3.49Å
58K89.2Confident88.2Confident148 Ų14879.2 Ų79.264%0.64339%0.388SS*.EExtended strand (participates in β ladder)trans-73.297179.3-66.8-179.4-178.21800111.2H56 I68 E69H56-K58 PolarHBondContact O-N 3.46Å; K58-I68 CarbonylContact C-O 3.54Å; K58-I68 VanDerWaalsContact CA-O 3.29Å; K58-I68 WeakPolarHBondContact CA-O 3.41Å; K58-E69 HydrophobicContact CG-CG 4.03Å
59V89.1Confident88Confident34 Ų3479.6 Ų79.621%0.20639%0.389CS..EExtended strand (participates in β ladder)trans-85167.6173-69.40000110.8T57 K67 I68 R70 L73T57-V59 HydrophobicContact CG2-CG1 4.45Å; T57-V59 PolarHBondContact O-N 3.44Å; V59-K67 CarbonylContact O-C 3.59Å; V59-K67 VanDerWaalsContact O-CA 3.32Å; V59-K67 WeakPolarHBondContact O-CA 2.96Å; V59-I68 WeakPolarHBondContact CG2-O 3.36Å; V59-I68 PolarHBondContact N-O 2.8Å; V59-I68 PolarHBondContact O-N 3.23Å; V59-I68 VanDerWaalsContact O-O 3.09Å; V59-R70 HydrophobicContact CG2-CB 4.29Å; V59-L73 HydrophobicContact CG2-CB 4.35Å; V59-L73 HydrophobicContact CG2-CD2 3.84Å; V59-L73 HydrophobicContact CG2-CG 4.48Å
60K89.5Confident88Confident138 Ų13880 Ų8060%0.638%0.376SS*.EExtended strand (participates in β ladder)trans-100.2131.9174-67.1-178.3-177.5178.20109.5S62 K66K60-S62 PolarHBondContact O-N 2.72Å; K60-K66 WeakPolarHBondContact CA-O 3.45Å
61C90.9Very high87.6Confident0 Ų077 Ų770%037%0.366CS..PPolyproline II helixtrans-60.2135.8169.5168.20000110.5K63 C64 N65 K66 I68 L73 E77C61-K63 VanDerWaalsContact C-N 3.28Å; C61-K63 PolarHBondContact O-N 3.07Å; C61-K63 PolarHBondContact SG-N 3Å; C61-C64 VanDerWaalsContact CB-SG 3.57Å; C61-C64 PolarHBondContact SG-N 2.75Å; C61-N65 VanDerWaalsContact O-CA 3.29Å; C61-N65 WeakPolarHBondContact O-CA 3.22Å; C61-N65 PolarHBondContact O-N 2.75Å; C61-K66 PolarHBondContact N-O 3.42Å; C61-I68 HydrophobicContact CB-CD1 4.34Å; C61-L73 HydrophobicContact CB-CD1 4.02Å; C61-E77 PolarHBondContact SG-OE1 3.01Å
62S87.4Confident87.2Confident81 Ų8180 Ų8057%0.56638%0.379SS*.THydrogen-bonded Turntrans-63.8-33.3-175.865.30000113K60 E77K60-S62 PolarHBondContact O-N 2.72Å; S62-E77 WeakPolarHBondContact CB-OE1 3.39Å; S62-E77 PolarHBondContact N-OE1 3.44Å; S62-E77 PolarHBondContact OG-OE1 2.96Å
63K85.8Confident87.2Confident132 Ų13277.2 Ų77.257%0.57437%0.371SS*.THydrogen-bonded Turntrans-89.7-57.1-177.2-50.1-66.1-176.8167.10111.9C61 E83C61-K63 VanDerWaalsContact C-N 3.28Å; C61-K63 PolarHBondContact O-N 3.07Å; C61-K63 PolarHBondContact SG-N 3Å; K63-E83 HydrophobicContact CB-CB 3.67Å; K63-E83 HydrophobicContact CB-CG 4.5Å
64C86.6Confident87Confident23 Ų2378.2 Ų78.216%0.15538%0.376CS..THydrogen-bonded Turntrans-96.8-3.7-170.477.70000115.1C61 K66 H76 P82 E83C61-C64 VanDerWaalsContact CB-SG 3.57Å; C61-C64 PolarHBondContact SG-N 2.75Å; C64-K66 HydrophobicContact CB-CG 4.48Å; C64-K66 PolarHBondContact O-N 3.38Å; C64-K66 VanDerWaalsContact SG-CB 3.6Å; C64-K66 VanDerWaalsContact SG-CG 3.53Å; C64-H76 PolarHBondContact SG-NE2 2.82Å; C64-P82 HydrophobicContact CB-CG 4.05Å; C64-E83 HydrophobicContact CB-CB 4.27Å; C64-E83 HydrophobicContact CB-CG 3.62Å
65N87Confident86.9Confident107 Ų10779.2 Ų79.257%0.57238%0.384SS*.  trans57.67.2-178.8-74.4-89.1000116.4C61C61-N65 VanDerWaalsContact O-CA 3.29Å; C61-N65 WeakPolarHBondContact O-CA 3.22Å; C61-N65 PolarHBondContact O-N 2.75Å
66K84.4Confident87.2Confident107 Ų10776 Ų7647%0.46537%0.369SS..  trans-63148.1171.8-67.7179-178.4179.90110.5K60 C61 C64 I68K60-K66 WeakPolarHBondContact CA-O 3.45Å; C61-K66 PolarHBondContact N-O 3.42Å; C64-K66 HydrophobicContact CB-CG 4.48Å; C64-K66 PolarHBondContact O-N 3.38Å; C64-K66 VanDerWaalsContact SG-CB 3.6Å; C64-K66 VanDerWaalsContact SG-CG 3.53Å; K66-I68 HydrophobicContact CB-CD1 4.2Å; K66-I68 HydrophobicContact CB-CG1 4.2Å
67K88.4Confident87.1Confident163 Ų16378.4 Ų78.471%0.70938%0.38SS*.EExtended strand (participates in β ladder)trans-88120.6175.3-65.8-178.4-177.5178.90109.8V59V59-K67 CarbonylContact O-C 3.59Å; V59-K67 VanDerWaalsContact O-CA 3.32Å; V59-K67 WeakPolarHBondContact O-CA 2.96Å
68I87.8Confident86.9Confident24 Ų2478.1 Ų78.112%0.12338%0.383CS..EExtended strand (participates in β ladder)trans-140.5146.7-171.5-50.2-175.5000107.6K58 V59 C61 K66 H72 H76K58-I68 CarbonylContact C-O 3.54Å; K58-I68 VanDerWaalsContact CA-O 3.29Å; K58-I68 WeakPolarHBondContact CA-O 3.41Å; V59-I68 WeakPolarHBondContact CG2-O 3.36Å; V59-I68 PolarHBondContact N-O 2.8Å; V59-I68 PolarHBondContact O-N 3.23Å; V59-I68 VanDerWaalsContact O-O 3.09Å; C61-I68 HydrophobicContact CB-CD1 4.34Å; K66-I68 HydrophobicContact CB-CD1 4.2Å; K66-I68 HydrophobicContact CB-CG1 4.2Å; I68-H72 HydrophobicContact CG2-CB 3.93Å; I68-H76 HydrophobicContact CD1-CB 3.7Å; I68-H76 WeakPolarHBondContact CD1-CD2 3.46Å; I68-H76 VanDerWaalsContact CD1-ND1 3.29Å; I68-H76 WeakPolarHBondContact CD1-ND1 3.19Å; I68-H76 WeakPolarHBondContact CD1-NE2 3.19Å; I68-H76 HydrophobicContact CG2-CB 4.39Å
69E87.1Confident86.7Confident40 Ų4077.7 Ų77.719%0.18738%0.383CS..EExtended strand (participates in β ladder)trans-65.3151.6173.8-65.6174.2114.700110.6H56 K58 C71 H72 L73H56-E69 IonicContact CE1-OE1 2.66Å; H56-E69 IonicContact CG-OE1 3.64Å; H56-E69 IonicContact ND1-OE1 3.25Å; H56-E69 PolarHBondContact ND1-OE1 3.42Å; K58-E69 HydrophobicContact CG-CG 4.03Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 3.27Å; E69-H72 PolarHBondContact O-N 2.85Å; E69-H72 IonicContact OE2-CE1 2.67Å; E69-H72 IonicContact OE2-ND1 2.67Å; E69-H72 PolarHBondContact OE2-ND1 2.88Å; E69-L73 PolarHBondContact O-N 3.45Å; E69-L73 VanDerWaalsContact O-N 3.12Å
70R88.1Confident86.4Confident103 Ų10382.5 Ų82.539%0.38940%0.404SS..SBendtrans-64.8-38.5-174.9-167174.8-58.8135-2.3111.7E53 E54 Q55 T57 V59 H72 L73E53-R70 PolarHBondContact O-NH1 3.38Å; E54-R70 VanDerWaalsContact CA-NH1 3.34Å; E54-R70 WeakPolarHBondContact O-CB 3.29Å; E54-R70 VanDerWaalsContact O-CD 3.22Å; E54-R70 WeakPolarHBondContact O-CD 3.14Å; E54-R70 PolarHBondContact O-NH1 3.43Å; Q55-R70 WeakPolarHBondContact O-CA 3.47Å; Q55-R70 WeakPolarHBondContact O-CB 3.41Å; Q55-R70 PolarHBondContact O-N 3.02Å; T57-R70 PolarHBondContact O-N 3.49Å; V59-R70 HydrophobicContact CG2-CB 4.29Å; R70-H72 VanDerWaalsContact C-N 3.25Å; R70-H72 PolarHBondContact O-N 3.49Å; R70-L73 WeakPolarHBondContact O-CB 3.39Å; R70-L73 PolarHBondContact O-N 3.04Å
71C83.9Confident86.4Confident38 Ų3876 Ų7626%0.25738%0.375SS..THydrogen-bonded Turntrans-59.2-33.9175.156.60000113.4Q55 E69Q55-C71 HydrophobicContact CB-CB 4.18Å; Q55-C71 PolarHBondContact O-N 3.15Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 3.27Å
72H82.3Confident86.2Confident83 Ų8377.3 Ų77.338%0.38438%0.384SS..THydrogen-bonded Turntrans-95.22-179.7-58131.7000113.2I68 E69 R70 H76I68-H72 HydrophobicContact CG2-CB 3.93Å; E69-H72 PolarHBondContact O-N 2.85Å; E69-H72 IonicContact OE2-CE1 2.67Å; E69-H72 IonicContact OE2-ND1 2.67Å; E69-H72 PolarHBondContact OE2-ND1 2.88Å; R70-H72 VanDerWaalsContact C-N 3.25Å; R70-H72 PolarHBondContact O-N 3.49Å; H72-H76 WeakPolarHBondContact O-CB 3.45Å; H72-H76 PolarHBondContact O-N 3.11Å
73L87.3Confident86.3Confident35 Ų3576.2 Ų76.218%0.18337%0.37CS..Hα-helixtrans-71.7-40.8-175.7179.364.5000112.1V59 C61 E69 R70 H76 E77V59-L73 HydrophobicContact CG2-CB 4.35Å; V59-L73 HydrophobicContact CG2-CD2 3.84Å; V59-L73 HydrophobicContact CG2-CG 4.48Å; C61-L73 HydrophobicContact CB-CD1 4.02Å; E69-L73 PolarHBondContact O-N 3.45Å; E69-L73 VanDerWaalsContact O-N 3.12Å; R70-L73 WeakPolarHBondContact O-CB 3.39Å; R70-L73 PolarHBondContact O-N 3.04Å; L73-H76 PolarHBondContact O-N 3.15Å; L73-E77 HydrophobicContact CD1-CG 4.1Å; L73-E77 WeakPolarHBondContact O-CG 3.32Å; L73-E77 PolarHBondContact O-N 3.06Å
74E84.8Confident86.6Confident162 Ų16271.6 Ų71.676%0.75735%0.349SS*.Hα-helixtrans-66.3-49.7-179.7-66.4-176.382.900110.7H76 E77 A78E74-H76 VanDerWaalsContact C-N 3.26Å; E74-H76 PolarHBondContact O-N 2.88Å; E74-E77 PolarHBondContact O-N 3.45Å; E74-A78 VanDerWaalsContact O-CB 3.32Å; E74-A78 WeakPolarHBondContact O-CB 3.32Å; E74-A78 PolarHBondContact O-N 3.38Å
75D86.1Confident86.7Confident103 Ų10374.1 Ų74.155%0.55136%0.361SS*.Hα-helixtrans-58.3-38.5173.6-64.5-36.3000111.9E79D75-E79 PolarHBondContact O-N 3.14Å
76H88.2Confident86.9Confident5 Ų572.7 Ų72.72%0.02335%0.351CS..Iπ-helixtrans-64.2-50.7175.3-179.478.6000112.2C64 I68 H72 L73 E74 A78 E80 C81C64-H76 PolarHBondContact SG-NE2 2.82Å; I68-H76 HydrophobicContact CD1-CB 3.7Å; I68-H76 WeakPolarHBondContact CD1-CD2 3.46Å; I68-H76 VanDerWaalsContact CD1-ND1 3.29Å; I68-H76 WeakPolarHBondContact CD1-ND1 3.19Å; I68-H76 WeakPolarHBondContact CD1-NE2 3.19Å; I68-H76 HydrophobicContact CG2-CB 4.39Å; H72-H76 WeakPolarHBondContact O-CB 3.45Å; H72-H76 PolarHBondContact O-N 3.11Å; L73-H76 PolarHBondContact O-N 3.15Å; E74-H76 VanDerWaalsContact C-N 3.26Å; E74-H76 PolarHBondContact O-N 2.88Å; H76-A78 PolarHBondContact O-N 3.39Å; H76-E80 IonicContact CG-OE2 3.71Å; H76-E80 WeakPolarHBondContact ND1-CB 3.2Å; H76-E80 IonicContact ND1-OE2 2.63Å; H76-E80 PolarHBondContact ND1-OE2 3.02Å; H76-E80 CarbonylContact O-C 3.57Å; H76-E80 PolarHBondContact O-N 3.1Å; H76-C81 WeakPolarHBondContact NE2-CA 3.33Å; H76-C81 WeakPolarHBondContact O-CB 3.29Å; H76-C81 PolarHBondContact O-N 3.44Å
77E86Confident87.1Confident68 Ų6872.9 Ų72.932%0.31836%0.355SS..Iπ-helixtrans-65.2-31.8-178.8-69.9-166.7152.500111.5C61 S62 L73 E74C61-E77 PolarHBondContact SG-OE1 3.01Å; S62-E77 WeakPolarHBondContact CB-OE1 3.39Å; S62-E77 PolarHBondContact N-OE1 3.44Å; S62-E77 PolarHBondContact OG-OE1 2.96Å; L73-E77 HydrophobicContact CD1-CG 4.1Å; L73-E77 WeakPolarHBondContact O-CG 3.32Å; L73-E77 PolarHBondContact O-N 3.06Å; E74-E77 PolarHBondContact O-N 3.45Å
78A85.3Confident87.3Confident47 Ų4765.2 Ų65.239%0.38832%0.322SS..Iπ-helixtrans-73-51.5173.700000114E74 H76 R84E74-A78 VanDerWaalsContact O-CB 3.32Å; E74-A78 WeakPolarHBondContact O-CB 3.32Å; E74-A78 PolarHBondContact O-N 3.38Å; H76-A78 PolarHBondContact O-N 3.39Å; A78-R84 WeakPolarHBondContact O-CD 3.42Å; A78-R84 PolarHBondContact O-NE 3.37Å; A78-R84 PolarHBondContact O-NH1 2.91Å
79E84.3Confident87.3Confident138 Ų13870 Ų7065%0.64535%0.352SS*.Iπ-helixtrans-118.5-32.9-164.1-67.5-57.3121.600114.9D75 R84D75-E79 PolarHBondContact O-N 3.14Å; E79-R84 VanDerWaalsContact O-CZ 3.27Å; E79-R84 PolarHBondContact O-NH1 2.87Å; E79-R84 PolarHBondContact O-NH2 3.43Å
80E82.6Confident87.2Confident135 Ų13571.1 Ų71.163%0.63136%0.356SS*.Iπ-helixtrans-106.1-13.6-172.4-58.2-171.6121.700115.9H76 P82H76-E80 IonicContact CG-OE2 3.71Å; H76-E80 WeakPolarHBondContact ND1-CB 3.2Å; H76-E80 IonicContact ND1-OE2 2.63Å; H76-E80 PolarHBondContact ND1-OE2 3.02Å; H76-E80 CarbonylContact O-C 3.57Å; H76-E80 PolarHBondContact O-N 3.1Å; E80-P82 WeakPolarHBondContact O-CD 3.36Å
81C90.1Very high87.1Confident1 Ų168.4 Ų68.41%0.00735%0.352CS..  trans-69.5120-170.5-1750000111.5H76 E83 R84H76-C81 WeakPolarHBondContact NE2-CA 3.33Å; H76-C81 WeakPolarHBondContact O-CB 3.29Å; H76-C81 PolarHBondContact O-N 3.44Å; C81-E83 PolarHBondContact O-N 2.81Å; C81-E83 VanDerWaalsContact O-N 3.15Å; C81-R84 HydrophobicContact CB-CB 4.26Å; C81-R84 VanDerWaalsContact O-CB 3.22Å; C81-R84 WeakPolarHBondContact O-CB 3.49Å; C81-R84 PolarHBondContact O-N 3.28Å
82P86.1Confident87.3Confident29 Ų2973.7 Ų73.719%0.18837%0.374CS..THydrogen-bonded Turntrans-68-17.2-179.828.9-35.9000113C64 E80 W97 K98C64-P82 HydrophobicContact CB-CG 4.05Å; E80-P82 WeakPolarHBondContact O-CD 3.36Å; P82-W97 PolarHBondContact O-N 3.4Å; P82-K98 HydrophobicContact CB-CB 4.18Å; P82-K98 WeakPolarHBondContact O-CB 3.17Å; P82-K98 PolarHBondContact O-N 2.91Å; P82-K98 VanDerWaalsContact O-N 3.11Å
83E89.4Confident87.6Confident58 Ų5874.5 Ų74.527%0.27138%0.38SS..THydrogen-bonded Turntrans-987.6175.4-52-59.3148.500112.3K63 C64 C81 L85 K98K63-E83 HydrophobicContact CB-CB 3.67Å; K63-E83 HydrophobicContact CB-CG 4.5Å; C64-E83 HydrophobicContact CB-CB 4.27Å; C64-E83 HydrophobicContact CB-CG 3.62Å; C81-E83 PolarHBondContact O-N 2.81Å; C81-E83 VanDerWaalsContact O-N 3.15Å; E83-L85 PolarHBondContact O-N 3.22Å; E83-K98 VanDerWaalsContact OE1-CD 3.27Å; E83-K98 WeakPolarHBondContact OE1-CD 3.43Å; E83-K98 IonicContact OE1-NZ 3.34Å; E83-K98 PolarHBondContact OE1-NZ 3.49Å; E83-K98 IonicContact OE2-NZ 2.88Å; E83-K98 PolarHBondContact OE2-NZ 3.16Å
84R92.2Very high87.8Confident35 Ų3578.7 Ų78.713%0.13240%0.399CS..  trans-59.4131.8168.6171.516476.1-98.514.3108.5A78 E79 C81 Q86 P96 W97A78-R84 WeakPolarHBondContact O-CD 3.42Å; A78-R84 PolarHBondContact O-NE 3.37Å; A78-R84 PolarHBondContact O-NH1 2.91Å; E79-R84 VanDerWaalsContact O-CZ 3.27Å; E79-R84 PolarHBondContact O-NH1 2.87Å; E79-R84 PolarHBondContact O-NH2 3.43Å; C81-R84 HydrophobicContact CB-CB 4.26Å; C81-R84 VanDerWaalsContact O-CB 3.22Å; C81-R84 WeakPolarHBondContact O-CB 3.49Å; C81-R84 PolarHBondContact O-N 3.28Å; R84-Q86 HydrophobicContact CG-CG 4.4Å; R84-P96 CarbonylContact O-C 3.56Å; R84-P96 WeakPolarHBondContact O-CA 3.23Å; R84-W97 PolarHBondContact O-N 2.96Å
85L90.2Very high88.2Confident76 Ų7671.6 Ų71.640%0.39837%0.366SS..EExtended strand (participates in β ladder)trans-77137.7171.4-63.1178.1000109.8E83 E94 V95 P96E83-L85 PolarHBondContact O-N 3.22Å; L85-E94 HydrophobicContact CB-CB 4.31Å; L85-E94 HydrophobicContact CD1-CB 4.41Å; L85-V95 WeakPolarHBondContact CA-O 3.49Å; L85-P96 HydrophobicContact CD2-CG 4.16Å
86Q89.8Confident88.5Confident77 Ų7768 Ų6836%0.3635%0.349SS..EExtended strand (participates in β ladder)trans-136.1145.1171.7-74.5-62.9-67.700109R84 V95 W97 L100R84-Q86 HydrophobicContact CG-CG 4.4Å; Q86-V95 PolarHBondContact N-O 2.77Å; Q86-V95 PolarHBondContact O-N 3.06Å; Q86-W97 HydrophobicContact CB-CE3 4.15Å; Q86-W97 HydrophobicContact CG-CE3 3.63Å; Q86-W97 HydrophobicContact CG-CZ3 4.05Å; Q86-L100 HydrophobicContact CB-CD2 3.93Å
87M90.2Very high88.6Confident111 Ų11173.9 Ų73.955%0.54737%0.371SS..EExtended strand (participates in β ladder)trans-77.8132.6-179.8-65.1178.572.800110.6T89 E92 E94M87-T89 PolarHBondContact O-N 2.67Å; M87-E92 HydrophobicContact CE-CB 3.87Å; M87-E92 HydrophobicContact CE-CG 4.4Å; M87-E92 WeakPolarHBondContact CE-O 3.48Å; M87-E94 HydrophobicContact CG-CG 4.13Å
88C91.6Very high88.8Confident2 Ų275.7 Ų75.71%0.01438%0.378CS..  trans-67.1128.4169.4179.60000110.7F90 E92 L93 H103C88-F90 PolarHBondContact O-N 3.15Å; C88-F90 VanDerWaalsContact O-N 3.14Å; C88-F90 PolarHBondContact SG-N 2.67Å; C88-E92 WeakPolarHBondContact O-CA 3.43Å; C88-E92 PolarHBondContact O-N 3.48Å; C88-L93 PolarHBondContact N-O 2.86Å; C88-H103 WeakPolarHBondContact CB-NE2 3.45Å; C88-H103 PolarHBondContact SG-CD2 3.33Å; C88-H103 PolarHBondContact SG-NE2 3.37Å
89T88.1Confident89Confident123 Ų12377.7 Ų77.776%0.75538%0.379SS*.THydrogen-bonded Turntrans-65.2-15.3178.552.20000114.3M87M87-T89 PolarHBondContact O-N 2.67Å
90F85.8Confident89.4Confident64 Ų6472.4 Ų72.428%0.28136%0.355SS..THydrogen-bonded Turntrans-101.9-27.2-174.7-57.3-54.6000114.1C88 S104 C107 L123C88-F90 PolarHBondContact O-N 3.15Å; C88-F90 VanDerWaalsContact O-N 3.14Å; C88-F90 PolarHBondContact SG-N 2.67Å; F90-S104 VanDerWaalsContact CE2-O 3.31Å; F90-S104 WeakPolarHBondContact CE2-O 3.46Å; F90-C107 HydrophobicContact CB-CB 4.45Å; F90-C107 HydrophobicContact CD2-CB 4.44Å; F90-L123 HydrophobicContact CB-CB 3.98Å; F90-L123 HydrophobicContact CB-CD1 4.18Å; F90-L123 HydrophobicContact CD1-CB 4.27Å; F90-L123 HydrophobicContact CG-CB 4.34Å
91C85.2Confident89.8Confident46 Ų4673.5 Ų73.531%0.31136%0.36SS..THydrogen-bonded Turntrans-139.79.3-177.472.20000114.4L93 H103 C107C91-L93 PolarHBondContact O-N 2.86Å; C91-H103 PolarHBondContact SG-NE2 2.81Å; C91-H103 VanDerWaalsContact SG-NE2 3.44Å; C91-C107 PolarHBondContact SG-SG 3.02Å
92E87.1Confident89.9Confident150 Ų15080.3 Ų80.370%0.70139%0.392SS*.  trans58.63.5177.5-60.8176.3-167.400115.5M87 C88 E94M87-E92 HydrophobicContact CE-CB 3.87Å; M87-E92 HydrophobicContact CE-CG 4.4Å; M87-E92 WeakPolarHBondContact CE-O 3.48Å; C88-E92 WeakPolarHBondContact O-CA 3.43Å; C88-E92 PolarHBondContact O-N 3.48Å; E92-E94 PolarHBondContact O-N 3.07Å
93L89.2Confident90.2Very high99 Ų9981.1 Ų81.152%0.51839%0.393SS..  trans-67.8130.1179.4-174.965.9000111.2C88 C91 V95C88-L93 PolarHBondContact N-O 2.86Å; C91-L93 PolarHBondContact O-N 2.86Å; L93-V95 HydrophobicContact CD2-CG1 4.02Å; L93-V95 HydrophobicContact CG-CG1 4.07Å; L93-V95 PolarHBondContact O-N 2.82Å
94E92.4Very high90.2Very high124 Ų12480 Ų8058%0.57939%0.391SS*.EExtended strand (participates in β ladder)trans-70.5116.7169.9-66.8-170119.800110.8L85 M87 E92L85-E94 HydrophobicContact CB-CB 4.31Å; L85-E94 HydrophobicContact CD1-CB 4.41Å; M87-E94 HydrophobicContact CG-CG 4.13Å; E92-E94 PolarHBondContact O-N 3.07Å
95V91.6Very high90.2Very high13 Ų1383.1 Ų83.18%0.07941%0.414CS..EExtended strand (participates in β ladder)trans-127.7150.1177.2-62.70000111L85 Q86 L93 L100 H103L85-V95 WeakPolarHBondContact CA-O 3.49Å; Q86-V95 PolarHBondContact N-O 2.77Å; Q86-V95 PolarHBondContact O-N 3.06Å; L93-V95 HydrophobicContact CD2-CG1 4.02Å; L93-V95 HydrophobicContact CG-CG1 4.07Å; L93-V95 PolarHBondContact O-N 2.82Å; V95-L100 HydrophobicContact CG2-CB 4.05Å; V95-L100 HydrophobicContact CG2-CD1 3.43Å; V95-L100 VanDerWaalsContact CG2-CD1 3.43Å; V95-L100 HydrophobicContact CG2-CG 4.36Å; V95-H103 HydrophobicContact CG2-CB 4.41Å
96P92.8Very high90.2Very high27 Ų2783.8 Ų83.818%0.17542%0.421CS..EExtended strand (participates in β ladder)trans-58.5138.5174.4-25.535.9000111.9R84 L85 K98 Q99 L100R84-P96 CarbonylContact O-C 3.56Å; R84-P96 WeakPolarHBondContact O-CA 3.23Å; L85-P96 HydrophobicContact CD2-CG 4.16Å; P96-K98 VanDerWaalsContact C-N 3.25Å; P96-K98 HydrophobicContact CB-CD 4.44Å; P96-K98 HydrophobicContact CB-CG 4.28Å; P96-K98 PolarHBondContact O-N 3.37Å; P96-K98 VanDerWaalsContact O-N 3.15Å; P96-Q99 CarbonylContact O-C 3.57Å; P96-Q99 WeakPolarHBondContact O-CA 3.36Å; P96-Q99 WeakPolarHBondContact O-CB 3.28Å; P96-Q99 PolarHBondContact O-N 3.28Å; P96-L100 PolarHBondContact O-N 2.96Å
97W91Very high90.3Very high128 Ų12880.2 Ų80.249%0.48541%0.405SS..Hα-helixtrans-50.9-42.9-177.3-178.7-112.6000113.1P82 R84 Q86 Q99 L100P82-W97 PolarHBondContact O-N 3.4Å; R84-W97 PolarHBondContact O-N 2.96Å; Q86-W97 HydrophobicContact CB-CE3 4.15Å; Q86-W97 HydrophobicContact CG-CE3 3.63Å; Q86-W97 HydrophobicContact CG-CZ3 4.05Å; W97-Q99 PolarHBondContact O-N 3.35Å; W97-L100 HydrophobicContact CE3-CB 4.44Å; W97-L100 HydrophobicContact CE3-CD2 3.54Å; W97-L100 HydrophobicContact CZ3-CD2 3.43Å; W97-L100 VanDerWaalsContact CZ3-CD2 3.43Å; W97-L100 WeakPolarHBondContact O-CB 3.29Å; W97-L100 PolarHBondContact O-N 2.9Å; W97-L100 VanDerWaalsContact O-N 3.1Å
98K89.6Confident90.2Very high107 Ų10775.1 Ų75.147%0.46538%0.381SS..Hα-helixtrans-58.5-19.8176.480.6-160.6-170.8-165.10114.7P82 E83 P96P82-K98 HydrophobicContact CB-CB 4.18Å; P82-K98 WeakPolarHBondContact O-CB 3.17Å; P82-K98 PolarHBondContact O-N 2.91Å; P82-K98 VanDerWaalsContact O-N 3.11Å; E83-K98 VanDerWaalsContact OE1-CD 3.27Å; E83-K98 WeakPolarHBondContact OE1-CD 3.43Å; E83-K98 IonicContact OE1-NZ 3.34Å; E83-K98 PolarHBondContact OE1-NZ 3.49Å; E83-K98 IonicContact OE2-NZ 2.88Å; E83-K98 PolarHBondContact OE2-NZ 3.16Å; P96-K98 VanDerWaalsContact C-N 3.25Å; P96-K98 HydrophobicContact CB-CD 4.44Å; P96-K98 HydrophobicContact CB-CG 4.28Å; P96-K98 PolarHBondContact O-N 3.37Å; P96-K98 VanDerWaalsContact O-N 3.15Å
99Q90.5Very high90.1Very high88 Ų8878.5 Ų78.541%0.41140%0.404SS..Hα-helixtrans-112.1-9.8-178.4-81.6166.9-19.300112.1P96 W97 E101 H103P96-Q99 CarbonylContact O-C 3.57Å; P96-Q99 WeakPolarHBondContact O-CA 3.36Å; P96-Q99 WeakPolarHBondContact O-CB 3.28Å; P96-Q99 PolarHBondContact O-N 3.28Å; W97-Q99 PolarHBondContact O-N 3.35Å; Q99-E101 VanDerWaalsContact C-N 3.33Å; Q99-E101 PolarHBondContact O-N 2.98Å; Q99-H103 WeakPolarHBondContact O-CB 3.34Å; Q99-H103 PolarHBondContact O-N 3.47Å
100L91.9Very high90.1Very high28 Ų2878.4 Ų78.415%0.14739%0.39CS..Hα-helixtrans-60.8-41.3-177.2-178.868.6000111.6Q86 V95 P96 W97 S104Q86-L100 HydrophobicContact CB-CD2 3.93Å; V95-L100 HydrophobicContact CG2-CB 4.05Å; V95-L100 HydrophobicContact CG2-CD1 3.43Å; V95-L100 VanDerWaalsContact CG2-CD1 3.43Å; V95-L100 HydrophobicContact CG2-CG 4.36Å; P96-L100 PolarHBondContact O-N 2.96Å; W97-L100 HydrophobicContact CE3-CB 4.44Å; W97-L100 HydrophobicContact CE3-CD2 3.54Å; W97-L100 HydrophobicContact CZ3-CD2 3.43Å; W97-L100 VanDerWaalsContact CZ3-CD2 3.43Å; W97-L100 WeakPolarHBondContact O-CB 3.29Å; W97-L100 PolarHBondContact O-N 2.9Å; W97-L100 VanDerWaalsContact O-N 3.1Å; L100-S104 WeakPolarHBondContact O-CB 3.45Å; L100-S104 PolarHBondContact O-N 2.77Å; L100-S104 PolarHBondContact O-OG 3.39Å
101E90.5Very high90.3Very high158 Ų15879.1 Ų79.174%0.73840%0.4SS*.Hα-helixtrans-62.4-56.3179.5-174.7173.9-142.800111.7Q99 H103 S104 V105Q99-E101 VanDerWaalsContact C-N 3.33Å; Q99-E101 PolarHBondContact O-N 2.98Å; E101-H103 VanDerWaalsContact C-N 3.32Å; E101-H103 PolarHBondContact O-N 3Å; E101-S104 PolarHBondContact O-N 2.91Å; E101-S104 VanDerWaalsContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.4Å; E101-V105 PolarHBondContact O-N 3.24Å; E101-V105 VanDerWaalsContact O-N 3.09Å
102E92.8Very high90.3Very high143 Ų14380.6 Ų80.667%0.66840%0.402SS*.Hα-helixtrans-55.8-46.6175.9-178.4-179.4-160.400111.5S104 V105 V106E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.19Å; E102-V105 PolarHBondContact O-N 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.46Å; E102-V106 PolarHBondContact O-N 3.5Å; E102-V106 VanDerWaalsContact O-N 3.15Å
103H92.9Very high90.4Very high46 Ų4677.9 Ų77.921%0.21339%0.392CS..Hα-helixtrans-60.8-41.6175.9177.185.8000111.7C88 C91 V95 Q99 E101 V105 V106 C107C88-H103 WeakPolarHBondContact CB-NE2 3.45Å; C88-H103 PolarHBondContact SG-CD2 3.33Å; C88-H103 PolarHBondContact SG-NE2 3.37Å; C91-H103 PolarHBondContact SG-NE2 2.81Å; C91-H103 VanDerWaalsContact SG-NE2 3.44Å; V95-H103 HydrophobicContact CG2-CB 4.41Å; Q99-H103 WeakPolarHBondContact O-CB 3.34Å; Q99-H103 PolarHBondContact O-N 3.47Å; E101-H103 VanDerWaalsContact C-N 3.32Å; E101-H103 PolarHBondContact O-N 3Å; H103-V105 PolarHBondContact O-N 3.19Å; H103-V106 PolarHBondContact O-N 3Å; H103-C107 WeakPolarHBondContact O-CA 3.37Å; H103-C107 WeakPolarHBondContact O-CB 3.29Å; H103-C107 PolarHBondContact O-N 2.94Å
104S89.7Confident90.4Very high34 Ų3473.6 Ų73.624%0.23837%0.37CS..Hα-helixtrans-64.9-39-178.377.50000112F90 L100 E101 E102 G108F90-S104 VanDerWaalsContact CE2-O 3.31Å; F90-S104 WeakPolarHBondContact CE2-O 3.46Å; L100-S104 WeakPolarHBondContact O-CB 3.45Å; L100-S104 PolarHBondContact O-N 2.77Å; L100-S104 PolarHBondContact O-OG 3.39Å; E101-S104 PolarHBondContact O-N 2.91Å; E101-S104 VanDerWaalsContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.4Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.19Å; S104-G108 WeakPolarHBondContact O-CA 3.5Å; S104-G108 PolarHBondContact O-N 3.22Å
105V90.9Very high90Very high101 Ų10177.5 Ų77.561%0.61239%0.385SS*.Hα-helixtrans-66.3-49.4177174.40000110.4E101 E102 H103 S109E101-V105 PolarHBondContact O-N 3.24Å; E101-V105 VanDerWaalsContact O-N 3.09Å; E102-V105 PolarHBondContact O-N 3.28Å; H103-V105 PolarHBondContact O-N 3.19Å; V105-S109 WeakPolarHBondContact O-CB 3.41Å; V105-S109 PolarHBondContact O-N 2.9Å; V105-S109 VanDerWaalsContact O-N 3.14Å; V105-S109 PolarHBondContact O-OG 3.12Å
106V91.1Very high89.6Confident90 Ų9082.4 Ų82.455%0.54541%0.411SS..Hα-helixtrans-65.5-46179.2175.70000110.7E102 H103 S109 R110E102-V106 WeakPolarHBondContact O-CG2 3.46Å; E102-V106 PolarHBondContact O-N 3.5Å; E102-V106 VanDerWaalsContact O-N 3.15Å; H103-V106 PolarHBondContact O-N 3Å; V106-S109 PolarHBondContact O-N 3.15Å; V106-S109 PolarHBondContact O-OG 3.21Å; V106-R110 PolarHBondContact O-N 2.89Å
107C90.5Very high89.3Confident3 Ų382.5 Ų82.52%0.0241%0.412CS..Hα-helixtrans-66.9-48.9-178.3-168.40000111.7F90 C91 H103 S109 R110F90-C107 HydrophobicContact CB-CB 4.45Å; F90-C107 HydrophobicContact CD2-CB 4.44Å; C91-C107 PolarHBondContact SG-SG 3.02Å; H103-C107 WeakPolarHBondContact O-CA 3.37Å; H103-C107 WeakPolarHBondContact O-CB 3.29Å; H103-C107 PolarHBondContact O-N 2.94Å; C107-S109 PolarHBondContact O-N 3.49Å; C107-R110 VanDerWaalsContact O-CB 3.25Å; C107-R110 WeakPolarHBondContact O-CB 3.25Å; C107-R110 PolarHBondContact O-N 3.12Å
108G89.1Confident88.9Confident4 Ų478.4 Ų78.44%0.04141%0.41CS..Hα-helixtrans-58.4-32.8176.500000113S104 R110 L123 S124S104-G108 WeakPolarHBondContact O-CA 3.5Å; S104-G108 PolarHBondContact O-N 3.22Å; G108-R110 VanDerWaalsContact C-N 3.3Å; G108-R110 PolarHBondContact O-N 3.47Å; G108-L123 PolarHBondContact O-N 3.17Å; G108-S124 PolarHBondContact O-N 2.83Å; G108-S124 VanDerWaalsContact O-N 3.11Å; G108-S124 PolarHBondContact O-OG 2.77Å
109S89.3Confident88.6Confident72 Ų7277.9 Ų77.950%0.50341%0.405SS..Hα-helixtrans-71.4-17.4176.179.50000114.9V105 V106 C107V105-S109 WeakPolarHBondContact O-CB 3.41Å; V105-S109 PolarHBondContact O-N 2.9Å; V105-S109 VanDerWaalsContact O-N 3.14Å; V105-S109 PolarHBondContact O-OG 3.12Å; V106-S109 PolarHBondContact O-N 3.15Å; V106-S109 PolarHBondContact O-OG 3.21Å; C107-S109 PolarHBondContact O-N 3.49Å
110R88.9Confident88.5Confident122 Ų12281.7 Ų81.746%0.4642%0.416SS..  trans-64.9135.8177.4-69.3169.349.1-174.1-14.5109.8V106 C107 G108 E112 K122 L123V106-R110 PolarHBondContact O-N 2.89Å; C107-R110 VanDerWaalsContact O-CB 3.25Å; C107-R110 WeakPolarHBondContact O-CB 3.25Å; C107-R110 PolarHBondContact O-N 3.12Å; G108-R110 VanDerWaalsContact C-N 3.3Å; G108-R110 PolarHBondContact O-N 3.47Å; R110-E112 IonicContact CZ-OE1 3.44Å; R110-E112 IonicContact NH2-OE1 3.91Å; R110-E112 PolarHBondContact NH2-OE1 3.18Å; R110-K122 CarbonylContact O-C 3.38Å; R110-K122 VanDerWaalsContact O-CA 3.32Å; R110-K122 WeakPolarHBondContact O-CA 3.46Å; R110-L123 HydrophobicContact CB-CD1 4.19Å; R110-L123 PolarHBondContact O-N 3.42Å
111T89.3Confident88.3Confident78 Ų7881.1 Ų81.148%0.47941%0.414SS..EExtended strand (participates in β ladder)trans-93.4132.8171.650.30000111.2V121 K122T111-V121 CarbonylContact C-O 3.49Å; T111-V121 VanDerWaalsContact CA-O 3.27Å; T111-V121 WeakPolarHBondContact CA-O 3.13Å; T111-K122 HydrophobicContact CG2-CG 3.87Å
112E85.8Confident88.3Confident77 Ų7777.9 Ų77.936%0.3640%0.398SS..EExtended strand (participates in β ladder)trans-118.4157.4170.6-61.8-157.3169.600110.3R110 C114 Y120 V121 L123R110-E112 IonicContact CZ-OE1 3.44Å; R110-E112 IonicContact NH2-OE1 3.91Å; R110-E112 PolarHBondContact NH2-OE1 3.18Å; E112-C114 PolarHBondContact O-N 3.2Å; E112-Y120 WeakPolarHBondContact O-CA 3.43Å; E112-V121 PolarHBondContact N-O 3.37Å; E112-V121 PolarHBondContact O-N 3.47Å; E112-L123 HydrophobicContact CB-CD2 4.26Å; E112-L123 HydrophobicContact CG-CD1 4.46Å; E112-L123 HydrophobicContact CG-CD2 3.78Å; E112-L123 HydrophobicContact CG-CG 4.12Å
113L88.8Confident88Confident94 Ų9471.6 Ų71.649%0.49237%0.369SS..EExtended strand (participates in β ladder)trans-78.2119.6-179.2-160.382.7000109.3K115 G118 Y120L113-K115 PolarHBondContact O-N 3.49Å; L113-G118 WeakPolarHBondContact CD1-O 3.36Å; L113-Y120 HydrophobicContact CD1-CD1 4.29Å; L113-Y120 HydrophobicContact CD1-CD2 3.99Å; L113-Y120 HydrophobicContact CD1-CE1 4.03Å; L113-Y120 HydrophobicContact CD1-CE2 3.7Å; L113-Y120 HydrophobicContact CD1-CG 4.28Å
114C88.8Confident87.8Confident9 Ų971.7 Ų71.76%0.06138%0.375CS..  trans-63.7129171.5-177.50000109.9E112 D116 G118 R119 V121 H129 C133E112-C114 PolarHBondContact O-N 3.2Å; C114-D116 VanDerWaalsContact C-N 3.28Å; C114-D116 PolarHBondContact O-N 3.45Å; C114-G118 VanDerWaalsContact O-CA 3.26Å; C114-G118 WeakPolarHBondContact O-CA 3.38Å; C114-G118 PolarHBondContact O-N 3.36Å; C114-R119 WeakPolarHBondContact CB-O 3.39Å; C114-R119 PolarHBondContact N-O 3.11Å; C114-V121 HydrophobicContact CB-CG2 4.39Å; C114-H129 PolarHBondContact SG-NE2 3.18Å; C114-C133 VanDerWaalsContact SG-SG 3.69Å
115K84.7Confident87.7Confident205 Ų20572.6 Ų72.689%0.89138%0.377SS*.THydrogen-bonded Turntrans-70.8-25.8-177.4-67.4177.1-177.7169.80112.7L113L113-K115 PolarHBondContact O-N 3.49Å
116D83.4Confident87.3Confident117 Ų11771 Ų7163%0.62636%0.363SS*.THydrogen-bonded Turntrans-92.8-32-172.7-52.5-73.6000113.2C114 A135C114-D116 VanDerWaalsContact C-N 3.28Å; C114-D116 PolarHBondContact O-N 3.45Å; D116-A135 WeakPolarHBondContact O-CA 3.42Å; D116-A135 VanDerWaalsContact O-CB 3.27Å; D116-A135 WeakPolarHBondContact O-CB 3.47Å
117C85.9Confident87Confident28 Ų2871.2 Ų71.219%0.18937%0.368CS..THydrogen-bonded Turntrans-123.40.117974.20000115.5R119 H129 C133 S134C117-R119 PolarHBondContact O-N 3.02Å; C117-R119 PolarHBondContact SG-NE 3.33Å; C117-R119 VanDerWaalsContact SG-NE 3.44Å; C117-H129 PolarHBondContact SG-CE1 3.23Å; C117-H129 PolarHBondContact SG-NE2 3.05Å; C117-C133 VanDerWaalsContact SG-SG 3.65Å; C117-S134 VanDerWaalsContact CB-O 3.31Å; C117-S134 WeakPolarHBondContact CB-O 3.31Å
118G82.6Confident86.8Confident43 Ų4377.8 Ų77.844%0.44340%0.398SS..  trans66.73.8177.700000115.9L113 C114L113-G118 WeakPolarHBondContact CD1-O 3.36Å; C114-G118 VanDerWaalsContact O-CA 3.26Å; C114-G118 WeakPolarHBondContact O-CA 3.38Å; C114-G118 PolarHBondContact O-N 3.36Å
119R84Confident86.6Confident95 Ų9579 Ų7936%0.35840%0.403SS..  trans-80.1146.2177.3-67.3-176.6-87.3-161.8-10.5111.2C114 C117 V121 S134 D137C114-R119 WeakPolarHBondContact CB-O 3.39Å; C114-R119 PolarHBondContact N-O 3.11Å; C117-R119 PolarHBondContact O-N 3.02Å; C117-R119 PolarHBondContact SG-NE 3.33Å; C117-R119 VanDerWaalsContact SG-NE 3.44Å; R119-V121 HydrophobicContact CB-CG2 4.44Å; R119-S134 PolarHBondContact NH2-O 3.18Å; R119-D137 IonicContact CZ-OD2 3.9Å; R119-D137 IonicContact NH1-OD2 2.96Å; R119-D137 IonicContact NH2-OD2 3.77Å; R119-D137 PolarHBondContact NH2-OD2 2.72Å
120Y87.8Confident86.3Confident168 Ų16879.7 Ų79.766%0.65941%0.408SS*.EExtended strand (participates in β ladder)trans-77120.8169.4-76.8-83.2000109.9E112 L113E112-Y120 WeakPolarHBondContact O-CA 3.43Å; L113-Y120 HydrophobicContact CD1-CD1 4.29Å; L113-Y120 HydrophobicContact CD1-CD2 3.99Å; L113-Y120 HydrophobicContact CD1-CE1 4.03Å; L113-Y120 HydrophobicContact CD1-CE2 3.7Å; L113-Y120 HydrophobicContact CD1-CG 4.28Å
121V87.1Confident86.1Confident17 Ų1778.6 Ų78.610%0.10342%0.419CS..EExtended strand (participates in β ladder)trans-129.1139.4-176.3-178.10000108.6T111 E112 C114 R119 D125 H129T111-V121 CarbonylContact C-O 3.49Å; T111-V121 VanDerWaalsContact CA-O 3.27Å; T111-V121 WeakPolarHBondContact CA-O 3.13Å; E112-V121 PolarHBondContact N-O 3.37Å; E112-V121 PolarHBondContact O-N 3.47Å; C114-V121 HydrophobicContact CB-CG2 4.39Å; R119-V121 HydrophobicContact CB-CG2 4.44Å; V121-D125 HydrophobicContact CG1-CB 4.15Å; V121-H129 HydrophobicContact CG1-CB 3.69Å; V121-H129 HydrophobicContact CG2-CB 4.48Å
122K90.2Very high85.9Confident90 Ų9079.7 Ų79.739%0.39143%0.426SS..EExtended strand (participates in β ladder)trans-65.8145.8177.4-58.1-163.2-143.691.70110.6R110 T111 S124 D125 Q126R110-K122 CarbonylContact O-C 3.38Å; R110-K122 VanDerWaalsContact O-CA 3.32Å; R110-K122 WeakPolarHBondContact O-CA 3.46Å; T111-K122 HydrophobicContact CG2-CG 3.87Å; K122-S124 PolarHBondContact O-N 3.45Å; K122-D125 HydrophobicContact CB-CB 4.19Å; K122-D125 IonicContact NZ-OD1 2.76Å; K122-D125 IonicContact NZ-OD2 3.09Å; K122-D125 PolarHBondContact NZ-OD2 2.91Å; K122-D125 CarbonylContact O-C 3.56Å; K122-D125 PolarHBondContact O-N 3.34Å; K122-Q126 PolarHBondContact O-N 2.81Å
123L86.7Confident85.8Confident11 Ų1177.5 Ų77.56%0.05842%0.418CS..THydrogen-bonded Turntrans-58.6-31.6174.9-70.5177.8000112.3F90 G108 R110 E112 Q126F90-L123 HydrophobicContact CB-CB 3.98Å; F90-L123 HydrophobicContact CB-CD1 4.18Å; F90-L123 HydrophobicContact CD1-CB 4.27Å; F90-L123 HydrophobicContact CG-CB 4.34Å; G108-L123 PolarHBondContact O-N 3.17Å; R110-L123 HydrophobicContact CB-CD1 4.19Å; R110-L123 PolarHBondContact O-N 3.42Å; E112-L123 HydrophobicContact CB-CD2 4.26Å; E112-L123 HydrophobicContact CG-CD1 4.46Å; E112-L123 HydrophobicContact CG-CD2 3.78Å; E112-L123 HydrophobicContact CG-CG 4.12Å; L123-Q126 VanDerWaalsContact CD2-OE1 3.27Å
124S88.4Confident85.3Confident48 Ų4875.9 Ų75.934%0.33642%0.415SS..THydrogen-bonded Turntrans-62.4-40.7170.755.40000113.5G108 K122 Q126G108-S124 PolarHBondContact O-N 2.83Å; G108-S124 VanDerWaalsContact O-N 3.11Å; G108-S124 PolarHBondContact O-OG 2.77Å; K122-S124 PolarHBondContact O-N 3.45Å; S124-Q126 VanDerWaalsContact C-N 3.34Å
125D87.6Confident84.1Confident53 Ų5379 Ų7928%0.28344%0.441SS..THydrogen-bonded Turntrans-91-5.9-169.9-48.3-8.1000110.7V121 K122 S127 E128 H129V121-D125 HydrophobicContact CG1-CB 4.15Å; K122-D125 HydrophobicContact CB-CB 4.19Å; K122-D125 IonicContact NZ-OD1 2.76Å; K122-D125 IonicContact NZ-OD2 3.09Å; K122-D125 PolarHBondContact NZ-OD2 2.91Å; K122-D125 CarbonylContact O-C 3.56Å; K122-D125 PolarHBondContact O-N 3.34Å; D125-S127 VanDerWaalsContact C-N 3.35Å; D125-S127 PolarHBondContact O-N 2.97Å; D125-E128 PolarHBondContact O-N 3.41Å; D125-H129 WeakPolarHBondContact O-CB 3.14Å; D125-H129 PolarHBondContact O-N 3.42Å
126Q84.3Confident82.7Confident67 Ų6773.2 Ų73.231%0.31343%0.432SS..Hα-helixtrans-68.2-31.1-170.3-161.2170.432.400113.1K122 L123 S124 S130K122-Q126 PolarHBondContact O-N 2.81Å; L123-Q126 VanDerWaalsContact CD2-OE1 3.27Å; S124-Q126 VanDerWaalsContact C-N 3.34Å; Q126-S130 WeakPolarHBondContact O-CB 3.32Å; Q126-S130 PolarHBondContact O-N 2.63Å
127S84.2Confident80.8Confident94 Ų9471.8 Ų71.866%0.65742%0.424SS*.Hα-helixtrans-66.5-48.9173.5-175.40000111.2D125 H129 S130 S131D125-S127 VanDerWaalsContact C-N 3.35Å; D125-S127 PolarHBondContact O-N 2.97Å; S127-H129 PolarHBondContact O-N 3.16Å; S127-S130 PolarHBondContact O-N 3.21Å; S127-S130 PolarHBondContact O-OG 3.33Å; S127-S131 PolarHBondContact O-N 2.79Å
128E85.2Confident79.4Confident142 Ų14279.2 Ų79.266%0.66446%0.456SS*.Hα-helixtrans-63.4-44.6177.4-61.9-172.4110.900111.1D125 S130 S131 T132D125-E128 PolarHBondContact O-N 3.41Å; E128-S130 PolarHBondContact O-N 3.04Å; E128-S131 PolarHBondContact O-N 3.02Å; E128-S131 PolarHBondContact O-OG 3.46Å; E128-T132 PolarHBondContact O-N 3.17Å; E128-T132 PolarHBondContact O-OG1 3.47Å; E128-T132 VanDerWaalsContact O-OG1 3.08Å
129H85.1Confident77.8Confident30 Ų3085.7 Ų85.714%0.13948%0.475CS..Hα-helixtrans-58.7-43.9174.8179.674.1000112.2C114 C117 V121 D125 S127 S131 T132 C133C114-H129 PolarHBondContact SG-NE2 3.18Å; C117-H129 PolarHBondContact SG-CE1 3.23Å; C117-H129 PolarHBondContact SG-NE2 3.05Å; V121-H129 HydrophobicContact CG1-CB 3.69Å; V121-H129 HydrophobicContact CG2-CB 4.48Å; D125-H129 WeakPolarHBondContact O-CB 3.14Å; D125-H129 PolarHBondContact O-N 3.42Å; S127-H129 PolarHBondContact O-N 3.16Å; H129-S131 PolarHBondContact O-N 2.82Å; H129-S131 VanDerWaalsContact O-N 3.11Å; H129-T132 CarbonylContact O-C 3.55Å; H129-T132 PolarHBondContact O-N 3.41Å; H129-C133 PolarHBondContact NE2-SG 3.42Å; H129-C133 WeakPolarHBondContact O-CA 3.4Å; H129-C133 VanDerWaalsContact O-CB 3.23Å; H129-C133 WeakPolarHBondContact O-CB 3.48Å; H129-C133 PolarHBondContact O-N 2.79Å
130S84.1Confident76Confident86 Ų8686.6 Ų86.660%0.60149%0.486SS*.Hα-helixtrans-57.3-30179.273.80000113.2Q126 S127 E128Q126-S130 WeakPolarHBondContact O-CB 3.32Å; Q126-S130 PolarHBondContact O-N 2.63Å; S127-S130 PolarHBondContact O-N 3.21Å; S127-S130 PolarHBondContact O-OG 3.33Å; E128-S130 PolarHBondContact O-N 3.04Å
131S84.3Confident73.9Confident99 Ų9984.4 Ų84.469%0.69250%0.496SS*.Hα-helixtrans-79.6-18177.176.50000114.6S127 E128 H129S127-S131 PolarHBondContact O-N 2.79Å; E128-S131 PolarHBondContact O-N 3.02Å; E128-S131 PolarHBondContact O-OG 3.46Å; H129-S131 PolarHBondContact O-N 2.82Å; H129-S131 VanDerWaalsContact O-N 3.11Å
132T84.2Confident71.9Confident101 Ų10189.6 Ų89.662%0.6253%0.528SS*.Hα-helixtrans-12311.1-177.944.90000113.1E128 H129 S134E128-T132 PolarHBondContact O-N 3.17Å; E128-T132 PolarHBondContact O-OG1 3.47Å; E128-T132 VanDerWaalsContact O-OG1 3.08Å; H129-T132 CarbonylContact O-C 3.55Å; H129-T132 PolarHBondContact O-N 3.41Å; T132-S134 PolarHBondContact O-N 3.49Å
133C85.2Confident70.1Confident30 Ų3093.4 Ų93.420%0.20355%0.547CS..  trans-74.689.6-175.4-1780000111.5C114 C117 H129 A135C114-C133 VanDerWaalsContact SG-SG 3.69Å; C117-C133 VanDerWaalsContact SG-SG 3.65Å; H129-C133 PolarHBondContact NE2-SG 3.42Å; H129-C133 WeakPolarHBondContact O-CA 3.4Å; H129-C133 VanDerWaalsContact O-CB 3.23Å; H129-C133 WeakPolarHBondContact O-CB 3.48Å; H129-C133 PolarHBondContact O-N 2.79Å; C133-A135 PolarHBondContact O-N 3.3Å
134S78.4Confident67.9Low61 Ų6198.7 Ų98.743%0.42758%0.58SS.*  trans-66.4116.7160.5-60.40000109.1C117 R119 T132 A136 D137C117-S134 VanDerWaalsContact CB-O 3.31Å; C117-S134 WeakPolarHBondContact CB-O 3.31Å; R119-S134 PolarHBondContact NH2-O 3.18Å; T132-S134 PolarHBondContact O-N 3.49Å; S134-A136 PolarHBondContact O-N 2.9Å; S134-D137 VanDerWaalsContact CB-OD2 3.27Å; S134-D137 WeakPolarHBondContact CB-OD2 3.37Å
135A62.8Low66Low73 Ų73104.2 Ų104.260%0.60361%0.605SS**SBendtrans-68.79.6175.100000114.1D116 C133D116-A135 WeakPolarHBondContact O-CA 3.42Å; D116-A135 VanDerWaalsContact O-CB 3.27Å; D116-A135 WeakPolarHBondContact O-CB 3.47Å; C133-A135 PolarHBondContact O-N 3.3Å
136A54.7Low64.1Low85 Ų85107.5 Ų107.570%0.70263%0.632SS**  trans-154.370.4-177.900000110.5S134S134-A136 PolarHBondContact O-N 2.9Å
137D43.4Very low62.3Low86 Ų86110 Ų11046%0.4666%0.656SS.*  trans-123.380.8156.4-64.6-52.6000108.1R119 S134 E139R119-D137 IonicContact CZ-OD2 3.9Å; R119-D137 IonicContact NH1-OD2 2.96Å; R119-D137 IonicContact NH2-OD2 3.77Å; R119-D137 PolarHBondContact NH2-OD2 2.72Å; S134-D137 VanDerWaalsContact CB-OD2 3.27Å; S134-D137 WeakPolarHBondContact CB-OD2 3.37Å; D137-E139 PolarHBondContact O-N 3.3Å
138E57.5Low60.5Low184 Ų184109.8 Ų109.886%0.8666%0.661SS**  trans-64.7117.5148.6-69.9-80.312200106.5
139E49.5Very low58.3Low180 Ų180110.1 Ų110.184%0.84167%0.666SS**  trans149.7137.5147.4-76.7-81.8104.100111.7D137D137-E139 PolarHBondContact O-N 3.3Å
140D45.4Very low57Low113 Ų113117.2 Ų117.260%0.60471%0.705SS**  trans54.986166.4-155.728.5000121.2
141S44.1Very low55.1Low122 Ų122118.1 Ų118.185%0.85371%0.707SS**  trans-147.649.6131.3-81.40000110.8Q143S141-Q143 PolarHBondContact O-N 3.13Å
142T44Very low53.7Low126 Ų126122.5 Ų122.577%0.77372%0.719SS**  trans-87.741.3173.744.10000112.1T144T142-T144 VanDerWaalsContact C-N 3.31Å; T142-T144 PolarHBondContact O-N 2.94Å
143Q52.6Low52.5Low171 Ų171123.4 Ų123.480%0.79972%0.716SS**  trans-84.573.3171-67-163.627.500111.7S141S141-Q143 PolarHBondContact O-N 3.13Å
144T40.9Very low51.7Low121 Ų121127.3 Ų127.374%0.74274%0.735SS**SBendtrans-166.599.7134.1-72.10000109.6T142T142-T144 VanDerWaalsContact C-N 3.31Å; T142-T144 PolarHBondContact O-N 2.94Å
145L49.2Very low51.4Low164 Ų164128.1 Ų128.186%0.85974%0.738SS**  trans6373152.1-54.7174.8000118.8
146S46.7Very low52.1Low122 Ų122126.4 Ų126.485%0.85372%0.72SS**  trans-112.180.9149.3-175.80000110.4
147S47.3Very low53.1Low119 Ų119126.1 Ų126.183%0.83271%0.712SS**  trans-172.964165.124.10000113.6
148A46.4Very low54.6Low91 Ų91122.5 Ų122.575%0.75269%0.694SS**SBendtrans-169.1143.714300000111.9
149L39.3Very low55.2Low148 Ų148124.9 Ų124.978%0.77570%0.695SS**  trans70.795.5166.7-51.1-177.6000117.8T151L149-T151 WeakPolarHBondContact CB-OG1 3.19Å; L149-T151 PolarHBondContact O-N 3Å; L149-T151 PolarHBondContact O-OG1 3.1Å; L149-T151 VanDerWaalsContact O-OG1 3.08Å
150N56.4Low55.9Low179 Ų179125.2 Ų125.296%0.95769%0.69SS**  trans-44.3104.5140.6-80.6-73.8000109.1
151T44.6Very low57.3Low105 Ų105122.5 Ų122.564%0.64468%0.679SS**  trans-126.4117.9175.1-39.20000107.3L149 E153L149-T151 WeakPolarHBondContact CB-OG1 3.19Å; L149-T151 PolarHBondContact O-N 3Å; L149-T151 PolarHBondContact O-OG1 3.1Å; L149-T151 VanDerWaalsContact O-OG1 3.08Å; T151-E153 PolarHBondContact O-N 2.66Å
152M55.6Low58.3Low192 Ų192119.3 Ų119.395%0.94667%0.665SS**  trans-58.7104.6-172.7-167.9168.7175.100110.2N154M152-N154 PolarHBondContact O-N 3.25Å; M152-N154 VanDerWaalsContact O-N 3.1Å
153E58.6Low59.6Low119 Ų119122.2 Ų122.256%0.55666%0.662SS**  trans-69.7108.4-173.1-74.6-157.3114.300111.4T151 T155 L166 K168T151-E153 PolarHBondContact O-N 2.66Å; E153-T155 PolarHBondContact O-N 2.82Å; E153-T155 PolarHBondContact O-OG1 3.2Å; E153-L166 HydrophobicContact CB-CD2 3.91Å; E153-K168 IonicContact OE1-NZ 3.21Å; E153-K168 PolarHBondContact OE1-NZ 3.31Å; E153-K168 VanDerWaalsContact OE1-NZ 3.09Å
154N68.1Low60.5Low112 Ų112118.3 Ų118.360%0.59965%0.654SS**  trans-68.8103.1-178-153.736.9000109.9M152 E167M152-N154 PolarHBondContact O-N 3.25Å; M152-N154 VanDerWaalsContact O-N 3.1Å; N154-E167 PolarHBondContact ND2-OE2 3.39Å; N154-E167 PolarHBondContact O-N 3.24Å; N154-E167 VanDerWaalsContact O-N 3.14Å
155T73.1Confident62Low79 Ų79113.8 Ų113.849%0.48562%0.624SS.*EExtended strand (participates in β ladder)trans-100.1126.4-174.9-48.50000109.1E153 F165E153-T155 PolarHBondContact O-N 2.82Å; E153-T155 PolarHBondContact O-OG1 3.2Å; T155-F165 CarbonylContact C-O 3.52Å; T155-F165 WeakPolarHBondContact CA-O 3.44Å; T155-F165 WeakPolarHBondContact CG2-O 3.37Å
156V75.6Confident63.3Low37 Ų37107.8 Ų107.822%0.22459%0.592CS.*EExtended strand (participates in β ladder)trans-115.2139.3-175.8-179.10000109.2F165 E167V156-F165 HydrophobicContact CB-CE2 4.26Å; V156-F165 PolarHBondContact N-O 3.03Å; V156-F165 PolarHBondContact O-N 3.13Å; V156-F165 VanDerWaalsContact O-O 3.05Å; V156-E167 HydrophobicContact CG2-CB 3.92Å; V156-E167 HydrophobicContact CG2-CG 4.14Å
157S76.8Confident64.4Low78 Ų78105.5 Ų105.555%0.54557%0.568SS.*EExtended strand (participates in β ladder)trans-94.4138.2177.949.20000112.7R159 R163S157-R159 PolarHBondContact O-N 3.24Å; S157-R163 WeakPolarHBondContact CA-O 3.26Å
158C73.9Confident65.3Low11 Ų11106.9 Ų106.97%0.07456%0.559CS.*  trans-64.8129.2171.4-1680000110.4Y160 C161 G162 R163 F165 H173C158-Y160 VanDerWaalsContact C-N 3.25Å; C158-Y160 PolarHBondContact O-N 3.47Å; C158-Y160 PolarHBondContact SG-N 2.75Å; C158-Y160 VanDerWaalsContact SG-N 3.37Å; C158-C161 WeakPolarHBondContact CB-SG 3.47Å; C158-C161 PolarHBondContact SG-N 3.25Å; C158-G162 WeakPolarHBondContact O-CA 3.49Å; C158-G162 PolarHBondContact O-N 3.37Å; C158-R163 PolarHBondContact N-O 3.02Å; C158-F165 HydrophobicContact CB-CD1 4.43Å; C158-F165 HydrophobicContact CB-CE1 3.77Å; C158-H173 WeakPolarHBondContact CB-NE2 3.41Å; C158-H173 PolarHBondContact SG-NE2 3.3Å
159R71.2Confident66.3Low234 Ų234105.3 Ų105.388%0.88354%0.537SS*.THydrogen-bonded Turntrans-70.6-22.4173.4-168.2175.1-69.11770.3113S157S157-R159 PolarHBondContact O-N 3.24Å
160Y63.9Low67.7Low187 Ų187102 Ų10273%0.73351%0.514SS*.THydrogen-bonded Turntrans-93-47-175-59.1-80.6000112.8C158C158-Y160 VanDerWaalsContact C-N 3.25Å; C158-Y160 PolarHBondContact O-N 3.47Å; C158-Y160 PolarHBondContact SG-N 2.75Å; C158-Y160 VanDerWaalsContact SG-N 3.37Å
161C74.9Confident68.1Low55 Ų5598.9 Ų98.937%0.37250%0.497SS..THydrogen-bonded Turntrans-107.3-1.1-17976.30000114.8C158 R163 H173C158-C161 WeakPolarHBondContact CB-SG 3.47Å; C158-C161 PolarHBondContact SG-N 3.25Å; C161-R163 PolarHBondContact O-N 3.02Å; C161-H173 PolarHBondContact SG-CE1 3.48Å; C161-H173 PolarHBondContact SG-NE2 3.43Å
162G65.7Low69.2Low55 Ų55100.8 Ų100.857%0.56749%0.493SS*.  trans70.1-5.3178.700000116.2C158C158-G162 WeakPolarHBondContact O-CA 3.49Å; C158-G162 PolarHBondContact O-N 3.37Å
163R70.2Confident70.1Confident187 Ų18793.8 Ų93.871%0.70646%0.457SS*.  trans-73.9135.9-178.1-62.6-173.3-177.3-158.34111.7S157 C158 C161S157-R163 WeakPolarHBondContact CA-O 3.26Å; C158-R163 PolarHBondContact N-O 3.02Å; C161-R163 PolarHBondContact O-N 3.02Å
164S71.5Confident70.4Confident90 Ų9093 Ų9363%0.62945%0.454SS*.EExtended strand (participates in β ladder)trans-82.2131.2171.7-57.10000110.7
165F73.3Confident70.1Confident25 Ų2594 Ų9411%0.1146%0.458CS..EExtended strand (participates in β ladder)trans-139162.117856.2-102.7000110.1T155 V156 C158 R170 H173T155-F165 CarbonylContact C-O 3.52Å; T155-F165 WeakPolarHBondContact CA-O 3.44Å; T155-F165 WeakPolarHBondContact CG2-O 3.37Å; V156-F165 HydrophobicContact CB-CE2 4.26Å; V156-F165 PolarHBondContact N-O 3.03Å; V156-F165 PolarHBondContact O-N 3.13Å; V156-F165 VanDerWaalsContact O-O 3.05Å; C158-F165 HydrophobicContact CB-CD1 4.43Å; C158-F165 HydrophobicContact CB-CE1 3.77Å; F165-R170 VanDerWaalsContact CE2-CA 3.44Å; F165-R170 HydrophobicContact CE2-CB 3.73Å; F165-R170 HydrophobicContact CE2-CG 4.13Å; F165-R170 HydrophobicContact CZ-CB 4.34Å; F165-R170 HydrophobicContact CZ-CG 4.26Å; F165-H173 HydrophobicContact CD1-CB 4.26Å; F165-H173 AromaticContact CD1-CD2 3.76Å; F165-H173 AromaticContact CD1-CG 3.84Å; F165-H173 HydrophobicContact CE1-CB 4.27Å; F165-H173 AromaticContact CE1-CD2 3.36Å; F165-H173 WeakPolarHBondContact CE1-CD2 3.35Å; F165-H173 AromaticContact CE1-CG 3.85Å
166L75.6Confident69.5Low38 Ų3899.3 Ų99.320%0.19947%0.469CS..EExtended strand (participates in β ladder)trans-72.9139.2179.1-62.1175.4000110E153 K168 E169E153-L166 HydrophobicContact CB-CD2 3.91Å; L166-K168 HydrophobicContact CB-CD 4.41Å; L166-K168 HydrophobicContact CB-CG 4.03Å; L166-K168 VanDerWaalsContact CD1-CE 3.41Å; L166-K168 PolarHBondContact O-N 2.86Å; L166-E169 HydrophobicContact CB-CG 4.24Å; L166-E169 WeakPolarHBondContact O-CA 3.04Å; L166-E169 WeakPolarHBondContact O-CB 3.22Å; L166-E169 PolarHBondContact O-N 3.18Å
167E70.8Confident69.1Low74 Ų7498.3 Ų98.335%0.34646%0.464SS..G310 helixtrans-54.7-31.8-172.7-175.1152.6-150.100113.8N154 V156 E169 R170N154-E167 PolarHBondContact ND2-OE2 3.39Å; N154-E167 PolarHBondContact O-N 3.24Å; N154-E167 VanDerWaalsContact O-N 3.14Å; V156-E167 HydrophobicContact CG2-CB 3.92Å; V156-E167 HydrophobicContact CG2-CG 4.14Å; E167-E169 PolarHBondContact O-N 2.96Å; E167-E169 VanDerWaalsContact O-N 3.12Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 3.26Å; E167-R170 IonicContact OE1-CZ 3.68Å; E167-R170 IonicContact OE1-NH1 2.69Å; E167-R170 PolarHBondContact OE1-NH1 2.92Å; E167-R170 VanDerWaalsContact OE1-NH1 3.17Å; E167-R170 IonicContact OE1-NH2 3.36Å; E167-R170 PolarHBondContact OE1-NH2 2.76Å
168K65.8Low68.1Low148 Ų148101.5 Ų101.564%0.64347%0.465SS*.G310 helixtrans-62.3-8.8172.469.3-161.9-179.8-1610115.6E153 L166E153-K168 IonicContact OE1-NZ 3.21Å; E153-K168 PolarHBondContact OE1-NZ 3.31Å; E153-K168 VanDerWaalsContact OE1-NZ 3.09Å; L166-K168 HydrophobicContact CB-CD 4.41Å; L166-K168 HydrophobicContact CB-CG 4.03Å; L166-K168 VanDerWaalsContact CD1-CE 3.41Å; L166-K168 PolarHBondContact O-N 2.86Å
169E68.3Low67.2Low59 Ų59107.1 Ų107.128%0.27649%0.49SS..G310 helixtrans-1152.3-176.9-49.5-162.1125.700113L166 E167 D171 R172 H173L166-E169 HydrophobicContact CB-CG 4.24Å; L166-E169 WeakPolarHBondContact O-CA 3.04Å; L166-E169 WeakPolarHBondContact O-CB 3.22Å; L166-E169 PolarHBondContact O-N 3.18Å; E167-E169 PolarHBondContact O-N 2.96Å; E167-E169 VanDerWaalsContact O-N 3.12Å; E169-D171 PolarHBondContact O-N 2.65Å; E169-R172 PolarHBondContact O-N 3.13Å; E169-R172 IonicContact OE1-CZ 3.17Å; E169-R172 IonicContact OE1-NH1 3.58Å; E169-R172 PolarHBondContact OE1-NH1 3.06Å; E169-R172 IonicContact OE1-NH2 3.52Å; E169-R172 PolarHBondContact OE1-NH2 3.07Å; E169-R172 IonicContact OE2-NH2 2.68Å; E169-H173 PolarHBondContact O-N 3.11Å
170R68.7Low66.3Low77 Ų77103.1 Ų103.129%0.29148%0.481SS..Hα-helixtrans-50.3-57.2179.9-178.1-177.5-71.3135.4-0.2112F165 E167 R172 H173 E174F165-R170 VanDerWaalsContact CE2-CA 3.44Å; F165-R170 HydrophobicContact CE2-CB 3.73Å; F165-R170 HydrophobicContact CE2-CG 4.13Å; F165-R170 HydrophobicContact CZ-CB 4.34Å; F165-R170 HydrophobicContact CZ-CG 4.26Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 3.26Å; E167-R170 IonicContact OE1-CZ 3.68Å; E167-R170 IonicContact OE1-NH1 2.69Å; E167-R170 PolarHBondContact OE1-NH1 2.92Å; E167-R170 VanDerWaalsContact OE1-NH1 3.17Å; E167-R170 IonicContact OE1-NH2 3.36Å; E167-R170 PolarHBondContact OE1-NH2 2.76Å; R170-R172 VanDerWaalsContact C-N 3.29Å; R170-R172 PolarHBondContact O-N 3.05Å; R170-H173 CarbonylContact O-C 3.59Å; R170-H173 WeakPolarHBondContact O-CA 3.45Å; R170-H173 WeakPolarHBondContact O-CB 3.12Å; R170-H173 PolarHBondContact O-N 3.37Å; R170-E174 WeakPolarHBondContact CD-OE1 3.49Å; R170-E174 HydrophobicContact CG-CG 4.19Å; R170-E174 VanDerWaalsContact CG-OE1 3.23Å; R170-E174 WeakPolarHBondContact CG-OE1 3.49Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.5Å
171D64.4Low65.7Low114 Ų11499 Ų9961%0.6147%0.472SS*.Hα-helixtrans-63.3-37.8-171.2-46.8-39.1000111.7E169 H173 E174 L175E169-D171 PolarHBondContact O-N 2.65Å; D171-H173 VanDerWaalsContact C-N 3.34Å; D171-E174 PolarHBondContact O-N 3.11Å; D171-L175 PolarHBondContact O-N 2.67Å; D171-L175 VanDerWaalsContact O-N 3.09Å
172R67.4Low64.6Low146 Ų146103.8 Ų103.855%0.55148%0.483SS*.Hα-helixtrans-68.7-33.2175.7-168176.673.9-124.26.1112.2E169 R170E169-R172 PolarHBondContact O-N 3.13Å; E169-R172 IonicContact OE1-CZ 3.17Å; E169-R172 IonicContact OE1-NH1 3.58Å; E169-R172 PolarHBondContact OE1-NH1 3.06Å; E169-R172 IonicContact OE1-NH2 3.52Å; E169-R172 PolarHBondContact OE1-NH2 3.07Å; E169-R172 IonicContact OE2-NH2 2.68Å; R170-R172 VanDerWaalsContact C-N 3.29Å; R170-R172 PolarHBondContact O-N 3.05Å
173H73.6Confident63.6Low44 Ų44107.6 Ų107.620%0.20449%0.486CS..Hα-helixtrans-74.7-42.4174-177.672.7000111.9C158 C161 F165 E169 R170 D171 L175 R176 C177C158-H173 WeakPolarHBondContact CB-NE2 3.41Å; C158-H173 PolarHBondContact SG-NE2 3.3Å; C161-H173 PolarHBondContact SG-CE1 3.48Å; C161-H173 PolarHBondContact SG-NE2 3.43Å; F165-H173 HydrophobicContact CD1-CB 4.26Å; F165-H173 AromaticContact CD1-CD2 3.76Å; F165-H173 AromaticContact CD1-CG 3.84Å; F165-H173 HydrophobicContact CE1-CB 4.27Å; F165-H173 AromaticContact CE1-CD2 3.36Å; F165-H173 WeakPolarHBondContact CE1-CD2 3.35Å; F165-H173 AromaticContact CE1-CG 3.85Å; E169-H173 PolarHBondContact O-N 3.11Å; R170-H173 CarbonylContact O-C 3.59Å; R170-H173 WeakPolarHBondContact O-CA 3.45Å; R170-H173 WeakPolarHBondContact O-CB 3.12Å; R170-H173 PolarHBondContact O-N 3.37Å; D171-H173 VanDerWaalsContact C-N 3.34Å; H173-L175 VanDerWaalsContact C-N 3.35Å; H173-L175 PolarHBondContact O-N 3.33Å; H173-R176 PolarHBondContact O-N 2.72Å; H173-C177 WeakPolarHBondContact O-CB 3.23Å; H173-C177 PolarHBondContact O-N 3.22Å
174E65.3Low62.4Low104 Ų104106.2 Ų106.249%0.48649%0.487SS..Hα-helixtrans-60-42.8177.6-74.1-177.4-173.700111.6R170 D171 R176 C177 Y178R170-E174 WeakPolarHBondContact CD-OE1 3.49Å; R170-E174 HydrophobicContact CG-CG 4.19Å; R170-E174 VanDerWaalsContact CG-OE1 3.23Å; R170-E174 WeakPolarHBondContact CG-OE1 3.49Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.5Å; D171-E174 PolarHBondContact O-N 3.11Å; E174-R176 PolarHBondContact O-N 2.78Å; E174-C177 PolarHBondContact O-N 3.32Å; E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 2.79Å
175L62.9Low61.2Low131 Ų131106.9 Ų106.969%0.68649%0.488SS*.Hα-helixtrans-56.9-44.5173.7-92.3153000113.4D171 H173D171-L175 PolarHBondContact O-N 2.67Å; D171-L175 VanDerWaalsContact O-N 3.09Å; H173-L175 VanDerWaalsContact C-N 3.35Å; H173-L175 PolarHBondContact O-N 3.33Å
176R58.8Low59.7Low192 Ų192112.6 Ų112.673%0.72552%0.519SS*.Hα-helixtrans-75.4-39.3177.4-74.7-169.8179-174.40.1112.9H173 E174 Y178 Q179H173-R176 PolarHBondContact O-N 2.72Å; E174-R176 PolarHBondContact O-N 2.78Å; R176-Y178 PolarHBondContact O-N 3.11Å; R176-Q179 PolarHBondContact O-N 2.87Å; R176-Q179 VanDerWaalsContact O-N 3.16Å
177C69.2Low57.9Low16 Ų16116.2 Ų116.211%0.10854%0.543CS..Hα-helixtrans-69.2-22.8-179.2-1640000112.5H173 E174H173-C177 WeakPolarHBondContact O-CB 3.23Å; H173-C177 PolarHBondContact O-N 3.22Å; E174-C177 PolarHBondContact O-N 3.32Å
178Y54.8Low56.7Low145 Ų145121.4 Ų121.457%0.56956%0.564SS**Hα-helixtrans-78.4-29.6172-170.3-102.2000112.9E174 R176 L181 Y182E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 2.79Å; R176-Y178 PolarHBondContact O-N 3.11Å; Y178-L181 PolarHBondContact O-N 3.18Å; Y178-Y182 HydrophobicContact CE1-CD2 4.2Å; Y178-Y182 HydrophobicContact CE1-CE2 4.04Å; Y178-Y182 AromaticContact CZ-CE2 3.97Å
179Q55.8Low55.4Low128 Ų128123.5 Ų123.560%0.59858%0.577SS**Hα-helixtrans-70.8-36.3-176.6-166.5164.9-10.100112.4R176 L181 Y182R176-Q179 PolarHBondContact O-N 2.87Å; R176-Q179 VanDerWaalsContact O-N 3.16Å; Q179-L181 PolarHBondContact O-N 2.84Å; Q179-Y182 PolarHBondContact O-N 3.32Å
180E51.3Low54.1Low150 Ų150129.4 Ų129.470%0.70160%0.604SS**THydrogen-bonded Turntrans-66.1-13.8174.8-65.8-17516400113.6
181L52.4Low52.8Low102 Ų102134.8 Ų134.853%0.53463%0.63SS.*THydrogen-bonded Turntrans-85.8-8.4176.8-71.5169.4000114.1Y178 Q179Y178-L181 PolarHBondContact O-N 3.18Å; Q179-L181 PolarHBondContact O-N 2.84Å
182Y50.5Low51.2Low154 Ų154141.3 Ų141.360%0.60465%0.646SS**THydrogen-bonded Turntrans-101.8-19.8-179.2-103.1-89.3000114.2Y178 Q179 E184 V185Y178-Y182 HydrophobicContact CE1-CD2 4.2Å; Y178-Y182 HydrophobicContact CE1-CE2 4.04Å; Y178-Y182 AromaticContact CZ-CE2 3.97Å; Q179-Y182 PolarHBondContact O-N 3.32Å; Y182-E184 VanDerWaalsContact C-N 3.32Å; Y182-E184 PolarHBondContact O-N 2.81Å; Y182-V185 PolarHBondContact O-N 3.49Å
183E46Very low49.8Very low135 Ų135143.2 Ų143.263%0.63166%0.661SS**Hα-helixtrans-76.7-15.7-179.2-64.6-177174.700113.3V185E183-V185 VanDerWaalsContact C-N 3.27Å; E183-V185 PolarHBondContact O-N 2.94Å
184E43.8Very low48.1Very low158 Ų158149.4 Ų149.474%0.73870%0.696SS**Hα-helixtrans-74.7-8.6174-69.1-160.4152.200114.5Y182Y182-E184 VanDerWaalsContact C-N 3.32Å; Y182-E184 PolarHBondContact O-N 2.81Å
185V46.7Very low46.8Very low104 Ų104149.2 Ų149.263%0.6371%0.712SS**Hα-helixtrans-91.8-32.3-177.4-173.30000112.6Y182 E183 T187Y182-V185 PolarHBondContact O-N 3.49Å; E183-V185 VanDerWaalsContact C-N 3.27Å; E183-V185 PolarHBondContact O-N 2.94Å; V185-T187 PolarHBondContact O-N 2.82Å
186D41.9Very low45.5Very low146 Ų146149.6 Ų149.678%0.78172%0.715SS**Hα-helixtrans-76.7-22.6-173.1-135.8-105.3000113.2K188D186-K188 PolarHBondContact O-N 2.95Å
187T38.5Very low44.6Very low113 Ų113147.9 Ų147.969%0.69372%0.72SS**THydrogen-bonded Turntrans-7510-175.856.10000115.3V185V185-T187 PolarHBondContact O-N 2.82Å
188K45.6Very low43.5Very low183 Ų183154.1 Ų154.180%0.79675%0.752SS**THydrogen-bonded Turntrans-113.5-8.1-179.7-85.6178.8179.9163.10116.5D186D186-K188 PolarHBondContact O-N 2.95Å
189E38.1Very low42.6Very low192 Ų192156.2 Ų156.290%0.89776%0.764SS**  trans-102.330.4176.7-65-148.8116.900114.2K191E189-K191 PolarHBondContact O-N 3.24Å
190Q41.2Very low42.1Very low184 Ų184159.2 Ų159.286%0.8678%0.775SS**  trans-84.498.7158.1-80.2-166.9-1200111.4
191K41.1Very low41.6Very low189 Ų189161.3 Ų161.382%0.82279%0.785SS**  trans179.1112.9141-107.5169.6178.6176.90112.4E189E189-K191 PolarHBondContact O-N 3.24Å
192W30.8Very low40.7Very low251 Ų251165.3 Ų165.395%0.95180%0.801SS**  trans16759.1133.7-79.5-3.7000111
193E37.4Very low39.8Very low187 Ų187163.1 Ų163.187%0.87481%0.808SS**  trans-117.6157.5149.9-65.7-171.3143.100106.7
194D38.9Very low39.6Very low173 Ų173165.7 Ų165.793%0.92582%0.82SS**  trans91.961-169.4-61.1-34.9000117.5
195A36.1Very low39.2Very low101 Ų101165.9 Ų165.984%0.83583%0.826SS**  trans-150.5126147.800000112.2
196D35.7Very low38.8Very low138 Ų138169 Ų16974%0.73883%0.834SS**  trans97.262.4161.5-118.5-91.7000120.2
197D41.1Very low38.4Very low156 Ų156169.1 Ų169.183%0.83483%0.834SS**  trans-102.473.5148.3-161.3-9.1000109.7
198L45.3Very low38.1Very low148 Ų148176 Ų17678%0.77585%0.847SS**  trans-14643.9178.1-161.169.7000113.5
199F35.4Very low37.4Very low189 Ų189171.9 Ų171.983%0.82984%0.842SS**  trans-140.539.5174.8-141.7-94.7000115.8
200K47.1Very low36.9Very low191 Ų191167.3 Ų167.383%0.8384%0.837SS**SBendtrans-131.337-175.6-108.4-176.1-175.2173.60116.7
201Q40.1Very low36.2Very low194 Ų194169.3 Ų169.391%0.90784%0.838SS**SBendtrans-156.46.9167.1-126.2161.6-20.400120.4
202Q32.9Very low35.8Very low185 Ų185170.1 Ų170.186%0.86484%0.841SS**  trans-132.987.9-177.5-72.1-174.1-13.500114.5
203S32.6Very low35.7Very low108 Ų108162.3 Ų162.376%0.75583%0.831SS**  trans-179.940.313949.90000113.6
204Q41.5Very low35.4Very low189 Ų189159.5 Ų159.588%0.88383%0.826SS**SBendtrans-70.2146.6138.1-135.6168.5-6.100106.4
205D35.5Very low35.1Very low163 Ų163156.3 Ų156.387%0.87282%0.817SS**SBendtrans7344.4-176.9-76.2-71000119.2
206Q38.7Very low34.9Very low168 Ų168160.6 Ų160.679%0.78582%0.82SS**SBendtrans-129.8111.9142.2-78.8-146.822.600114.3
207L33.7Very low35.6Very low150 Ų150159.5 Ų159.579%0.78582%0.823SS**  trans91.969.3149.7-56.5172.3000120.6
208R31.3Very low35Very low256 Ų256161.3 Ų161.397%0.96683%0.826SS**  trans-94.684.6139.5-176.4-159.8-173.1-147.55.6110.7
209S31Very low34.2Very low98 Ų98158.8 Ų158.869%0.68583%0.827SS**  trans-173.598.4156.8-148.50000109.6
210A27Very low33.8Very low96 Ų96153.6 Ų153.679%0.79383%0.826SS**  73.196.984.900000115.3
211Y26.5Very low33Very low226 Ų226154.9 Ų154.989%0.88683%0.826SS**  trans-118.7139.5146.260.7-91.8000108.7
212K33.5Very low32.8Very low205 Ų205154.3 Ų154.389%0.89182%0.823SS**  trans-107125.8174.8-86.8-174.5172.6-178.20109.6
213A29.2Very low32.5Very low88 Ų88148 Ų14873%0.72781%0.809SS**  trans51.2150149.600000118.6
214T31.1Very low33Very low128 Ų128148.9 Ų148.979%0.78581%0.812SS**  cis-174.2155.42.819.70000104.7
215S30.9Very low32.4Very low105 Ų105151.4 Ų151.473%0.73481%0.813SS**  cis-175.1171.9-15.2-92.40000106.1
216Q33.1Very low32.7Very low192 Ų192150.2 Ų150.290%0.89781%0.812SS**  cis-121.4-13712.6-58.91767.700110.9
217S50Low32.5Very low114 Ų114147.5 Ų147.580%0.79781%0.811SS**  trans-107.2120.3-165.252.20000114.7
218H29.2Very low32.7Very low194 Ų194143 Ų14390%0.89880%0.801SS**  trans-134.2152.1177-119.1-90.6000113
219A28.1Very low33.5Very low96 Ų96136.3 Ų136.379%0.79378%0.784SS**  trans-5.4139.3166.600000120.3
220G27.1Very low34.4Very low79 Ų79140.2 Ų140.281%0.81479%0.792SS**  trans-105.1175.8177.600000115.9
221R30.1Very low36Very low219 Ų219142.4 Ų142.483%0.82679%0.79SS**  trans-156.1118.4149.2-141-166.6-68.7-1033.9111.8
222Q35Very low37.7Very low181 Ų181137 Ų13785%0.84677%0.773SS**  trans57113.8139.4-71169.3-0.100122.2
223G27.2Very low39.1Very low54 Ų54132.3 Ų132.356%0.55776%0.756SS**  trans-151149.3150.200000108.1
224P43.9Very low41.1Very low126 Ų126130.6 Ų130.682%0.81874%0.739SS**  trans-92131.1-154.10.618.7000113.1
225W27.9Very low43Very low241 Ų241128.2 Ų128.291%0.91373%0.725SS**  trans-121101.4168-69.187.1000109.5S227W225-S227 PolarHBondContact O-N 3.5Å
226V42.5Very low45.1Very low139 Ų139123.2 Ų123.284%0.84269%0.69SS**  trans-71.3105166.3171.40000107.1
227S34Very low46.8Very low111 Ų111117.9 Ų117.978%0.77667%0.672SS**  trans-109.363.5163.4-61.30000108.4W225 D229W225-S227 PolarHBondContact O-N 3.5Å; S227-D229 VanDerWaalsContact C-N 3.34Å; S227-D229 PolarHBondContact O-N 2.74Å; S227-D229 VanDerWaalsContact O-N 3.08Å
228G37.3Very low47.8Very low56 Ų56116.6 Ų116.658%0.57765%0.653SS**  trans-73.291.2167.900000109.4Q230G228-Q230 PolarHBondContact O-N 3.43Å
229D49Very low49.9Very low114 Ų114110 Ų11061%0.6163%0.628SS**  trans22.688.8137.3-158.5-58.8000115.3S227 Q232S227-D229 VanDerWaalsContact C-N 3.34Å; S227-D229 PolarHBondContact O-N 2.74Å; S227-D229 VanDerWaalsContact O-N 3.08Å; D229-Q232 VanDerWaalsContact CG-NE2 3.26Å; D229-Q232 WeakPolarHBondContact OD1-CG 3.29Å; D229-Q232 PolarHBondContact OD1-NE2 3.16Å; D229-Q232 PolarHBondContact OD2-NE2 3.12Å
230Q50.8Low51.7Low181 Ų181111.9 Ų111.985%0.84662%0.62SS**  trans-125.532.2-179-155.8-178.5-10.100112.7G228G228-Q230 PolarHBondContact O-N 3.43Å
231D58.7Low53.7Low141 Ų141112.3 Ų112.375%0.75460%0.603SS**  trans-142.127.7173.9-89.3-53.4000113.1I233D231-I233 PolarHBondContact O-N 3.43Å; D231-I233 VanDerWaalsContact O-N 3.11Å
232Q62.3Low56Low113 Ų113104.5 Ų104.553%0.52859%0.585SS.*  trans-67.8109.8167.9-92176.579.700110.9D229 L245D229-Q232 VanDerWaalsContact CG-NE2 3.26Å; D229-Q232 WeakPolarHBondContact OD1-CG 3.29Å; D229-Q232 PolarHBondContact OD1-NE2 3.16Å; D229-Q232 PolarHBondContact OD2-NE2 3.12Å; Q232-L245 HydrophobicContact CB-CD1 3.61Å; Q232-L245 HydrophobicContact CB-CG 4.12Å; Q232-L245 WeakPolarHBondContact O-CG 3.42Å; Q232-L245 PolarHBondContact O-N 3.27Å
233I64.3Low57.6Low106 Ų10697.5 Ų97.554%0.54455%0.554SS.*EExtended strand (participates in β ladder)trans-97.5131.3171-61.4174.2000108.3D231 A242 L243 P244D231-I233 PolarHBondContact O-N 3.43Å; D231-I233 VanDerWaalsContact O-N 3.11Å; I233-A242 HydrophobicContact CG2-CB 3.9Å; I233-L243 WeakPolarHBondContact CA-O 3.49Å; I233-P244 HydrophobicContact CG1-CG 4.37Å
234S70.6Confident59.9Low53 Ų5397.5 Ų97.537%0.37154%0.544SS..EExtended strand (participates in β ladder)trans-134.8160.3177.6-176.20000111A242 L243S234-A242 WeakPolarHBondContact O-CA 3.3Å; S234-L243 PolarHBondContact N-O 3.29Å; S234-L243 PolarHBondContact O-N 3.27Å; S234-L243 VanDerWaalsContact O-O 3.08Å
235T71.2Confident61.1Low77 Ų7794.5 Ų94.547%0.47252%0.521SS..EExtended strand (participates in β ladder)trans-99.4134-174.747.70000112.5L241 A242T235-L241 WeakPolarHBondContact CA-O 3.44Å; T235-A242 HydrophobicContact CG2-CB 3.76Å
236C74.6Confident62.6Low0 Ų088 Ų880%051%0.509CS..  trans-64.6129.5176.5-179.30000111H238 C239 H240 L241 L248C236-H238 PolarHBondContact O-N 3.25Å; C236-H238 VanDerWaalsContact O-N 3.14Å; C236-C239 VanDerWaalsContact CB-SG 3.59Å; C236-H240 WeakPolarHBondContact O-CA 3.41Å; C236-H240 PolarHBondContact O-N 3.08Å; C236-H240 PolarHBondContact O-ND1 3.22Å; C236-L241 PolarHBondContact N-O 3.42Å; C236-L248 HydrophobicContact CB-CD1 3.73Å
237P69.7Low63.6Low80 Ų8085 Ų8552%0.51949%0.491SS..THydrogen-bonded Turntrans-70.4-9.4-179.229-36.1000114E252P237-E252 WeakPolarHBondContact CD-OE1 3.39Å
238H70.3Confident65.2Low87 Ų8779.9 Ų79.940%0.40346%0.455SS..THydrogen-bonded Turntrans-101.5-21.7-176.9-63.9-47.8000114.5C236 V259C236-H238 PolarHBondContact O-N 3.25Å; C236-H238 VanDerWaalsContact O-N 3.14Å; H238-V259 HydrophobicContact CB-CG2 4.29Å
239C72.8Confident66.6Low56 Ų5684.7 Ų84.738%0.37846%0.46SS..THydrogen-bonded Turntrans-140.7-2.2-179.170.20000114C236 L241 H251C236-C239 VanDerWaalsContact CB-SG 3.59Å; C239-L241 PolarHBondContact O-N 3Å; C239-L241 VanDerWaalsContact O-N 3.08Å; C239-H251 PolarHBondContact SG-NE2 3.14Å
240H67.4Low67.5Low136 Ų13687.4 Ų87.463%0.6346%0.462SS*.  trans5814.1-179.4-53.5-56.3000116.4C236 A242C236-H240 WeakPolarHBondContact O-CA 3.41Å; C236-H240 PolarHBondContact O-N 3.08Å; C236-H240 PolarHBondContact O-ND1 3.22Å; H240-A242 PolarHBondContact O-N 3.41Å
241L68.1Low68.5Low88 Ų8880.8 Ų80.846%0.46143%0.431SS..  trans-69.1127.3172.7-173.164.4000110.8T235 C236 C239 L243T235-L241 WeakPolarHBondContact CA-O 3.44Å; C236-L241 PolarHBondContact N-O 3.42Å; C239-L241 PolarHBondContact O-N 3Å; C239-L241 VanDerWaalsContact O-N 3.08Å; L241-L243 HydrophobicContact CD2-CD1 4.15Å; L241-L243 HydrophobicContact CD2-CD2 4.32Å; L241-L243 HydrophobicContact CD2-CG 4.27Å; L241-L243 HydrophobicContact CG-CD2 4.41Å; L241-L243 HydrophobicContact CG-CG 4.19Å
242A78Confident69.1Low54 Ų5477.1 Ų77.145%0.44641%0.409SS..EExtended strand (participates in β ladder)trans-82.5123176.700000111I233 S234 T235 H240I233-A242 HydrophobicContact CG2-CB 3.9Å; S234-A242 WeakPolarHBondContact O-CA 3.3Å; T235-A242 HydrophobicContact CG2-CB 3.76Å; H240-A242 PolarHBondContact O-N 3.41Å
243L69.2Low69.3Low35 Ų3574.8 Ų74.818%0.18341%0.41CS..EExtended strand (participates in β ladder)trans-140.7152.2-179.8-66.1173.5000111.2I233 S234 L241 L245 T247 L248 H251I233-L243 WeakPolarHBondContact CA-O 3.49Å; S234-L243 PolarHBondContact N-O 3.29Å; S234-L243 PolarHBondContact O-N 3.27Å; S234-L243 VanDerWaalsContact O-O 3.08Å; L241-L243 HydrophobicContact CD2-CD1 4.15Å; L241-L243 HydrophobicContact CD2-CD2 4.32Å; L241-L243 HydrophobicContact CD2-CG 4.27Å; L241-L243 HydrophobicContact CG-CD2 4.41Å; L241-L243 HydrophobicContact CG-CG 4.19Å; L243-L245 PolarHBondContact O-N 3.47Å; L243-T247 HydrophobicContact CD1-CG2 4.47Å; L243-L248 HydrophobicContact CB-CB 4.21Å; L243-L248 HydrophobicContact CB-CD1 4.26Å; L243-H251 HydrophobicContact CD1-CB 3.72Å
244P74.8Confident69.1Low53 Ų5376.1 Ų76.134%0.34441%0.411SS..EExtended strand (participates in β ladder)trans-54.4138.3168.4-24.634.5000111.2I233 P246 T247 L248I233-P244 HydrophobicContact CG1-CG 4.37Å; P244-P246 VanDerWaalsContact C-N 3.34Å; P244-P246 VanDerWaalsContact O-N 3.11Å; P244-T247 PolarHBondContact O-N 3.45Å; P244-L248 PolarHBondContact O-N 3.48Å
245L69.1Low68.9Low64 Ų6474.4 Ų74.434%0.33540%0.4SS..Hα-helixtrans-48.4-39.3-173.5-75.3175.3000116.1Q232 L243 L248 K249Q232-L245 HydrophobicContact CB-CD1 3.61Å; Q232-L245 HydrophobicContact CB-CG 4.12Å; Q232-L245 WeakPolarHBondContact O-CG 3.42Å; Q232-L245 PolarHBondContact O-N 3.27Å; L243-L245 PolarHBondContact O-N 3.47Å; L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 PolarHBondContact O-N 2.79Å; L245-K249 PolarHBondContact O-N 2.99Å
246P59.9Low68.6Low104 Ų10478.8 Ų78.868%0.67541%0.407SS*.Hα-helixtrans-63.2-44.8177.1-21.834000112.3P244P244-P246 VanDerWaalsContact C-N 3.34Å; P244-P246 VanDerWaalsContact O-N 3.11Å
247T63Low67.9Low75 Ų7583.1 Ų83.146%0.4643%0.434SS..Hα-helixtrans-69.8-35.5177.8-43.90000111.3L243 P244 W250 H251L243-T247 HydrophobicContact CD1-CG2 4.47Å; P244-T247 PolarHBondContact O-N 3.45Å; T247-W250 PolarHBondContact O-N 3.17Å; T247-H251 WeakPolarHBondContact O-CB 3.26Å; T247-H251 PolarHBondContact O-N 2.85Å
248L67.8Low67.3Low4 Ų484 Ų842%0.02143%0.434CS..Hα-helixtrans-61.9-44178.7-173.965.7000112C236 L243 P244 L245 W250 H251 E252C236-L248 HydrophobicContact CB-CD1 3.73Å; L243-L248 HydrophobicContact CB-CB 4.21Å; L243-L248 HydrophobicContact CB-CD1 4.26Å; P244-L248 PolarHBondContact O-N 3.48Å; L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 PolarHBondContact O-N 2.79Å; L248-W250 VanDerWaalsContact C-N 3.32Å; L248-W250 PolarHBondContact O-N 3.14Å; L248-H251 CarbonylContact O-C 3.58Å; L248-H251 WeakPolarHBondContact O-CB 3.12Å; L248-H251 PolarHBondContact O-N 2.97Å; L248-H251 VanDerWaalsContact O-N 3.14Å; L248-E252 HydrophobicContact CD1-CG 4.22Å; L248-E252 HydrophobicContact CG-CG 4.19Å; L248-E252 WeakPolarHBondContact O-CB 3.39Å; L248-E252 WeakPolarHBondContact O-CG 3.16Å; L248-E252 PolarHBondContact O-N 3.04Å
249K67.6Low66.7Low158 Ų15883 Ų8369%0.68743%0.434SS*.Hα-helixtrans-58.1-41.8179.7-75.7-179.2177.3-179.80113.1L245L245-K249 PolarHBondContact O-N 2.99Å
250W67.6Low65.9Low170 Ų17084.4 Ų84.464%0.64444%0.44SS*.Hα-helixtrans-71.9-41.1175.8-17590.6000111.7T247 L248 E252 A253 K254T247-W250 PolarHBondContact O-N 3.17Å; L248-W250 VanDerWaalsContact C-N 3.32Å; L248-W250 PolarHBondContact O-N 3.14Å; W250-E252 PolarHBondContact O-N 3.22Å; W250-A253 PolarHBondContact O-N 2.76Å; W250-K254 HydrophobicContact CH2-CD 3.57Å; W250-K254 HydrophobicContact CZ2-CD 3.98Å; W250-K254 HydrophobicContact CZ3-CD 3.92Å; W250-K254 PolarHBondContact O-N 2.8Å
251H71.2Confident65.1Low43 Ų4382.4 Ų82.420%0.19943%0.434CS..Hα-helixtrans-60.1-43.6176.318088.7000112.2C239 L243 T247 L248 A253 K254 C255C239-H251 PolarHBondContact SG-NE2 3.14Å; L243-H251 HydrophobicContact CD1-CB 3.72Å; T247-H251 WeakPolarHBondContact O-CB 3.26Å; T247-H251 PolarHBondContact O-N 2.85Å; L248-H251 CarbonylContact O-C 3.58Å; L248-H251 WeakPolarHBondContact O-CB 3.12Å; L248-H251 PolarHBondContact O-N 2.97Å; L248-H251 VanDerWaalsContact O-N 3.14Å; H251-A253 PolarHBondContact O-N 3.5Å; H251-K254 PolarHBondContact O-N 3.48Å; H251-C255 WeakPolarHBondContact O-CB 3.48Å; H251-C255 PolarHBondContact O-N 2.95Å
252E71.4Confident64.3Low63 Ų6385.8 Ų85.829%0.29445%0.445SS..Hα-helixtrans-59.7-45.4179.3-79.4178.4163.800112.5P237 L248 W250 K254 C255 R256P237-E252 WeakPolarHBondContact CD-OE1 3.39Å; L248-E252 HydrophobicContact CD1-CG 4.22Å; L248-E252 HydrophobicContact CG-CG 4.19Å; L248-E252 WeakPolarHBondContact O-CB 3.39Å; L248-E252 WeakPolarHBondContact O-CG 3.16Å; L248-E252 PolarHBondContact O-N 3.04Å; W250-E252 PolarHBondContact O-N 3.22Å; E252-K254 VanDerWaalsContact C-N 3.34Å; E252-K254 PolarHBondContact O-N 2.87Å; E252-C255 PolarHBondContact O-N 2.89Å; E252-R256 VanDerWaalsContact O-CB 3.29Å; E252-R256 WeakPolarHBondContact O-CB 3.42Å; E252-R256 PolarHBondContact O-N 3.21Å
253A66Low63Low65 Ų6586.9 Ų86.954%0.53745%0.454SS..Hα-helixtrans-58.9-45176.900000111.7W250 H251W250-A253 PolarHBondContact O-N 2.76Å; H251-A253 PolarHBondContact O-N 3.5Å
254K61.3Low62.1Low133 Ų13395.5 Ų95.558%0.57848%0.484SS*.Hα-helixtrans-74.6-36.4-179.6-160.6167.9-173.2173.30112.7W250 H251 E252 V257 N258W250-K254 HydrophobicContact CH2-CD 3.57Å; W250-K254 HydrophobicContact CZ2-CD 3.98Å; W250-K254 HydrophobicContact CZ3-CD 3.92Å; W250-K254 PolarHBondContact O-N 2.8Å; H251-K254 PolarHBondContact O-N 3.48Å; E252-K254 VanDerWaalsContact C-N 3.34Å; E252-K254 PolarHBondContact O-N 2.87Å; K254-V257 PolarHBondContact O-N 3.33Å; K254-N258 PolarHBondContact O-N 2.88Å
255C65.9Low60.7Low18 Ų18101.4 Ų101.412%0.12251%0.507CS..Hα-helixtrans-66.8-42.4177.7-168.50000111.3H251 E252 V257 N258 V259H251-C255 WeakPolarHBondContact O-CB 3.48Å; H251-C255 PolarHBondContact O-N 2.95Å; E252-C255 PolarHBondContact O-N 2.89Å; C255-V257 VanDerWaalsContact C-N 3.33Å; C255-V257 PolarHBondContact O-N 3.45Å; C255-N258 PolarHBondContact O-N 3Å; C255-N258 VanDerWaalsContact O-N 3.11Å; C255-V259 WeakPolarHBondContact O-CG2 3.46Å; C255-V259 PolarHBondContact O-N 2.93Å
256R64.9Low59.4Low169 Ų169104.8 Ų104.864%0.63856%0.557SS**Hα-helixtrans-58-41.7176.7-174.8178.7175.8-149.6-1.2112.6E252 V260E252-R256 VanDerWaalsContact O-CB 3.29Å; E252-R256 WeakPolarHBondContact O-CB 3.42Å; E252-R256 PolarHBondContact O-N 3.21Å; R256-V260 WeakPolarHBondContact O-CG2 3.44Å; R256-V260 PolarHBondContact O-N 3.5Å
257V60.6Low59.4Low91 Ų91104.8 Ų104.855%0.55255%0.551SS**Hα-helixtrans-63.6-44.41751760000110.9K254 C255 V259 V260 L261K254-V257 PolarHBondContact O-N 3.33Å; C255-V257 VanDerWaalsContact C-N 3.33Å; C255-V257 PolarHBondContact O-N 3.45Å; V257-V259 VanDerWaalsContact C-N 3.34Å; V257-V259 PolarHBondContact O-N 3.41Å; V257-V260 PolarHBondContact O-N 2.87Å; V257-L261 HydrophobicContact CG1-CD1 4.27Å; V257-L261 WeakPolarHBondContact O-CG 3.33Å; V257-L261 PolarHBondContact O-N 3.11Å
258N55.9Low59.2Low97 Ų97106.4 Ų106.452%0.51956%0.556SS.*Hα-helixtrans-68.5-31.7-176.8-149.316.4000113K254 C255 K262K254-N258 PolarHBondContact O-N 2.88Å; C255-N258 PolarHBondContact O-N 3Å; C255-N258 VanDerWaalsContact O-N 3.11Å; N258-K262 PolarHBondContact O-N 3.48Å
259V57.9Low58.7Low67 Ų67112.1 Ų112.141%0.40659%0.586SS.*Hα-helixtrans-69.1-37.5172172.20000111.7H238 C255 V257 K262 A263H238-V259 HydrophobicContact CB-CG2 4.29Å; C255-V259 WeakPolarHBondContact O-CG2 3.46Å; C255-V259 PolarHBondContact O-N 2.93Å; V257-V259 VanDerWaalsContact C-N 3.34Å; V257-V259 PolarHBondContact O-N 3.41Å; V259-K262 PolarHBondContact O-N 2.77Å; V259-A263 PolarHBondContact O-N 3.25Å; V259-A263 VanDerWaalsContact O-N 3.16Å
260V55.4Low58.2Low85 Ų85109.4 Ų109.452%0.51558%0.58SS.*Hα-helixtrans-68.3-34.6176171.10000112.1R256 V257 A263R256-V260 WeakPolarHBondContact O-CG2 3.44Å; R256-V260 PolarHBondContact O-N 3.5Å; V257-V260 PolarHBondContact O-N 2.87Å; V260-A263 PolarHBondContact O-N 3.08Å
261L50.6Low57.6Low95 Ų95105.6 Ų105.650%0.49758%0.576SS.*Hα-helixtrans-65.7-48.1173.8-68.8171.9000111.3V257 A263 R264V257-L261 HydrophobicContact CG1-CD1 4.27Å; V257-L261 WeakPolarHBondContact O-CG 3.33Å; V257-L261 PolarHBondContact O-N 3.11Å; L261-A263 PolarHBondContact O-N 3.01Å; L261-A263 VanDerWaalsContact O-N 3.15Å; L261-R264 PolarHBondContact O-N 3.23Å
262K51.8Low56.7Low158 Ų158109.7 Ų109.769%0.68760%0.601SS**Hα-helixtrans-61.7-21.8176-76.3-168.1172.3-169.10114.6N258 V259 R264N258-K262 PolarHBondContact O-N 3.48Å; V259-K262 PolarHBondContact O-N 2.77Å; K262-R264 VanDerWaalsContact C-N 3.29Å
263A52.2Low55.7Low77 Ų77113.1 Ų113.164%0.63662%0.623SS**THydrogen-bonded Turntrans-83.62.6175.400000114.1V259 V260 L261V259-A263 PolarHBondContact O-N 3.25Å; V259-A263 VanDerWaalsContact O-N 3.16Å; V260-A263 PolarHBondContact O-N 3.08Å; L261-A263 PolarHBondContact O-N 3.01Å; L261-A263 VanDerWaalsContact O-N 3.15Å
264R48.7Very low54.9Low217 Ų217116.8 Ų116.882%0.81963%0.629SS**SBendtrans-113.2-4.1175.2-78.4-177164.2-171.7-4.6114.3L261 K262L261-R264 PolarHBondContact O-N 3.23Å; K262-R264 VanDerWaalsContact C-N 3.29Å
265E46.9Very low54.4Low176 Ų176115.4 Ų115.482%0.82263%0.634SS**  trans-10920177.1-64.2-177.2104.100112.3
266G41.4Very low53.3Low135 Ų135124.3 Ų124.3100%1.39268%0.68SS**  trans-134.80176.500000111.9

Retrieved 266 of 266 residues in 204.2 ms (Link to these results)