A0A096ME19_POEFO Loading...

SIN3-HDAC complex associated factor

AlphaFold DB , UniProt , Accession A0A096ME19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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
1M59Low77.1Confident244 Ų244152.9 Ų152.9100%1.20274%0.736SS**  0104.90-85.2173.5178.800108.3G3M1-G3 PolarHBondContact O-N 3.43Å
2F56.4Low78.6Confident205 Ų205140.8 Ų140.890%0.89968%0.679SS**  trans-68.8104170.6-72.2-85.6000107.4F4F2-F4 PolarHBondContact O-N 3.42Å
3G62.7Low79.8Confident69 Ų69142.2 Ų142.271%0.71169%0.691SS**  trans-56.6116.3173.400000108.2M1 H5M1-G3 PolarHBondContact O-N 3.43Å; G3-H5 VanDerWaalsContact C-N 3.3Å; G3-H5 PolarHBondContact O-N 3.47Å
4F67.1Low80.8Confident209 Ų209141.8 Ų141.892%0.91769%0.694SS**  trans-60.195.5175.7-80.7-93.2000108.6F2 K6F2-F4 PolarHBondContact O-N 3.42Å; F4-K6 PolarHBondContact O-N 3.27Å
5H79.5Confident81.8Confident165 Ų165132.6 Ų132.676%0.76465%0.65SS**  trans-69.798.4175.4-167.7-67.3000107.5G3 P7G3-H5 VanDerWaalsContact C-N 3.3Å; G3-H5 PolarHBondContact O-N 3.47Å; H5-P7 WeakPolarHBondContact O-CD 3.3Å; H5-P7 VanDerWaalsContact O-N 3.12Å
6K76.4Confident82.8Confident188 Ų188124.3 Ų124.382%0.81761%0.61SS**PPolyproline II helixtrans-58.4116.5173-97.1172.2176.3167.20108.2F4 K8F4-K6 PolarHBondContact O-N 3.27Å; K6-K8 PolarHBondContact O-N 3.39Å
7P81.3Confident83.7Confident110 Ų110118 Ų11871%0.71458%0.581SS**PPolyproline II helixtrans-57.4135.4177.4-24.234.8000110H5 M9H5-P7 WeakPolarHBondContact O-CD 3.3Å; H5-P7 VanDerWaalsContact O-N 3.12Å; P7-M9 PolarHBondContact O-N 3.48Å
8K86.9Confident84.4Confident139 Ų139111.4 Ų111.460%0.60455%0.548SS*.PPolyproline II helixtrans-65.5123.7178.2-171.9167.7-178.4169.50108.7K6 Y10K6-K8 PolarHBondContact O-N 3.39Å; K8-Y10 HydrophobicContact CB-CE2 4.37Å; K8-Y10 HydrophobicContact CD-CE1 4.3Å; K8-Y10 HydrophobicContact CG-CE1 4.5Å; K8-Y10 HydrophobicContact CG-CE2 4.23Å
9M89.5Confident85.1Confident111 Ų111105.6 Ų105.655%0.54752%0.519SS..PPolyproline II helixtrans-98.2125.8176.6-176.7-178.4-74.300109.5P7 S23P7-M9 PolarHBondContact O-N 3.48Å; M9-S23 VanDerWaalsContact SD-CB 3.56Å
10Y94.8Very high85.7Confident58 Ų58105.1 Ų105.123%0.22751%0.512CS..EExtended strand (participates in β ladder)trans-94.9147.3175-60.6-89.8000109.6K8 S23 S24 R27K8-Y10 HydrophobicContact CB-CE2 4.37Å; K8-Y10 HydrophobicContact CD-CE1 4.3Å; K8-Y10 HydrophobicContact CG-CE1 4.5Å; K8-Y10 HydrophobicContact CG-CE2 4.23Å; Y10-S23 CarbonylContact O-C 3.59Å; Y10-S23 WeakPolarHBondContact O-CA 3.46Å; Y10-S24 PolarHBondContact N-O 3.38Å; Y10-S24 PolarHBondContact O-N 3.48Å; Y10-R27 HydrophobicContact CD1-CB 4.38Å; Y10-R27 HydrophobicContact CD1-CG 3.38Å; Y10-R27 HydrophobicContact CD2-CG 4.48Å; Y10-R27 HydrophobicContact CE1-CG 3.38Å; Y10-R27 HydrophobicContact CG-CG 3.94Å
11R94.9Very high86.2Confident184 Ų184100.5 Ų100.569%0.69449%0.49SS*.EExtended strand (participates in β ladder)trans-125.6141.4-178.6-64.6-175.8178.8-84.8-3.5110.5K22R11-K22 VanDerWaalsContact CA-O 3.26Å; R11-K22 WeakPolarHBondContact CA-O 3.22Å
12S95.2Very high88Confident8 Ų894.6 Ų94.66%0.05646%0.458CS..  trans-109.7145.2171.8161.70000108.2G15 K22 E51S12-G15 VanDerWaalsContact OG-CA 3.32Å; S12-G15 WeakPolarHBondContact OG-CA 3.5Å; S12-G15 PolarHBondContact OG-N 3.03Å; S12-K22 PolarHBondContact N-O 3.31Å; S12-E51 WeakPolarHBondContact CB-OE2 3.49Å; S12-E51 PolarHBondContact OG-OE2 3.19Å
13L93.3Very high89.8Confident158 Ų15887.2 Ų87.283%0.82743%0.432SS*.SBendtrans-71.8-50.3177.5-66.9178.2000110.4K22L13-K22 WeakPolarHBondContact O-CE 3.41Å
14D94.5Very high91.3Very high137 Ų13784.5 Ų84.573%0.73340%0.402SS*.SBendtrans-81.5-27.7-177.7-56.6-46.5000112
15G96.1Very high92.5Very high4 Ų478.9 Ų78.94%0.04139%0.389CS..  trans87.2174.7-175.200000112.5S12 C17 A21S12-G15 VanDerWaalsContact OG-CA 3.32Å; S12-G15 WeakPolarHBondContact OG-CA 3.5Å; S12-G15 PolarHBondContact OG-N 3.03Å; G15-C17 PolarHBondContact O-N 3.02Å; G15-A21 WeakPolarHBondContact CA-O 3.48Å
16C97.7Very high93.2Very high0 Ų073 Ų730%037%0.367CS..  trans-60.1126.9177.5-176.30000111I18 C19 R20 A21 F28 E51 C53 C56C16-I18 PolarHBondContact O-N 3.39Å; C16-C19 WeakPolarHBondContact CB-SG 3.5Å; C16-R20 WeakPolarHBondContact O-CA 3.47Å; C16-R20 PolarHBondContact O-N 3.44Å; C16-A21 HydrophobicContact CB-CB 4.46Å; C16-A21 PolarHBondContact N-O 3.13Å; C16-F28 HydrophobicContact CB-CE1 4.06Å; C16-E51 CarbonylContact C-O 3.44Å; C16-E51 WeakPolarHBondContact CA-O 3.15Å; C16-C53 HydrophobicContact CB-CB 3.92Å; C16-C53 PolarHBondContact SG-N 3.44Å; C16-C56 VanDerWaalsContact SG-SG 3.63Å
17C97.3Very high94.2Very high17 Ų1772 Ų7212%0.11536%0.358CS..THydrogen-bonded Turntrans-61.2-16.6179.261.50000114.4G15 E51G15-C17 PolarHBondContact O-N 3.02Å; C17-E51 PolarHBondContact N-O 3.39Å
18I97.5Very high95Very high0 Ų067.8 Ų67.80%033%0.328CS..THydrogen-bonded Turntrans-98.6-58.4177.7-55.6-58.2000111.8C16 F38 F42 L44 I52 C56 V78 D79C16-I18 PolarHBondContact O-N 3.39Å; I18-F38 HydrophobicContact CD1-CD1 4.16Å; I18-F38 HydrophobicContact CD1-CD2 3.85Å; I18-F38 HydrophobicContact CD1-CE1 4.23Å; I18-F38 HydrophobicContact CD1-CE2 3.96Å; I18-F38 HydrophobicContact CD1-CG 3.97Å; I18-F38 HydrophobicContact CD1-CZ 4.15Å; I18-F38 HydrophobicContact CG1-CE1 4.43Å; I18-F38 HydrophobicContact CG1-CZ 4.4Å; I18-F42 HydrophobicContact CD1-CD2 4.05Å; I18-F42 HydrophobicContact CD1-CE2 4.17Å; I18-F42 HydrophobicContact CG1-CD2 4.32Å; I18-F42 HydrophobicContact CG1-CE2 4Å; I18-F42 HydrophobicContact CG1-CZ 4.43Å; I18-F42 HydrophobicContact CG2-CD1 3.77Å; I18-F42 HydrophobicContact CG2-CD2 4Å; I18-F42 HydrophobicContact CG2-CE1 3.77Å; I18-F42 HydrophobicContact CG2-CE2 4Å; I18-F42 HydrophobicContact CG2-CG 3.91Å; I18-F42 HydrophobicContact CG2-CZ 3.89Å; I18-L44 HydrophobicContact CD1-CD1 3.89Å; I18-I52 HydrophobicContact CG1-CD1 4.39Å; I18-C56 HydrophobicContact CB-CB 4.4Å; I18-V78 HydrophobicContact CG2-CG2 4.34Å; I18-V78 CarbonylContact O-C 3.6Å; I18-V78 WeakPolarHBondContact O-CA 3.46Å; I18-D79 PolarHBondContact O-N 2.85Å
19C97Very high95.4Very high0 Ų064.3 Ų64.30%032%0.319CS..THydrogen-bonded Turntrans-103.7-1.6-170.266.80000114.3C16 A21 C53 C56 V77 R81C16-C19 WeakPolarHBondContact CB-SG 3.5Å; C19-A21 PolarHBondContact O-N 3.07Å; C19-A21 VanDerWaalsContact O-N 3.1Å; C19-C53 VanDerWaalsContact SG-SG 3.64Å; C19-C56 PolarHBondContact SG-SG 3.18Å; C19-V77 WeakPolarHBondContact CA-O 3.36Å; C19-V77 HydrophobicContact CB-CG1 3.88Å; C19-V77 WeakPolarHBondContact CB-O 3.42Å; C19-R81 VanDerWaalsContact CB-NH1 3.35Å; C19-R81 VanDerWaalsContact O-CB 3.22Å; C19-R81 WeakPolarHBondContact O-CB 3.41Å; C19-R81 WeakPolarHBondContact O-CD 3.19Å; C19-R81 PolarHBondContact O-N 2.91Å; C19-R81 VanDerWaalsContact O-N 3.08Å; C19-R81 PolarHBondContact SG-NH1 3.09Å
20R96.8Very high95.8Very high96 Ų9663.1 Ų63.136%0.36231%0.314SS..  trans60.113-176.3-50.8-63.7-177.1122.915.2116.3C16 K22 D79 R81C16-R20 WeakPolarHBondContact O-CA 3.47Å; C16-R20 PolarHBondContact O-N 3.44Å; R20-K22 PolarHBondContact O-N 3.17Å; R20-D79 WeakPolarHBondContact CD-OD1 3.35Å; R20-D79 HydrophobicContact CG-CB 4.43Å; R20-D79 WeakPolarHBondContact CG-OD1 3.4Å; R20-D79 IonicContact CZ-OD1 3.56Å; R20-D79 IonicContact NE-OD1 2.69Å; R20-D79 PolarHBondContact NE-OD1 3.31Å; R20-D79 IonicContact NH2-OD1 3.03Å; R20-D79 PolarHBondContact NH2-OD1 3.37Å; R20-D79 IonicContact NH2-OD2 2.72Å; R20-R81 HydrophobicContact CB-CB 4.49Å
21A96.1Very high95.9Very high8 Ų860.4 Ų60.47%0.06630%0.304CS..  trans-62.4125.1173.700000110.8G15 C16 C19 S23 F28 R81G15-A21 WeakPolarHBondContact CA-O 3.48Å; C16-A21 HydrophobicContact CB-CB 4.46Å; C16-A21 PolarHBondContact N-O 3.13Å; C19-A21 PolarHBondContact O-N 3.07Å; C19-A21 VanDerWaalsContact O-N 3.1Å; A21-S23 VanDerWaalsContact C-N 3.32Å; A21-F28 WeakPolarHBondContact O-CE1 3.45Å; A21-F28 WeakPolarHBondContact O-CZ 3.43Å; A21-R81 HydrophobicContact CB-CG 4.42Å
22K96.3Very high96.1Very high120 Ų12058.7 Ų58.752%0.52230%0.301SS..SBendtrans-88.35.2174.1-75.6176.5170.8157.80114.1R11 S12 L13 R20R11-K22 VanDerWaalsContact CA-O 3.26Å; R11-K22 WeakPolarHBondContact CA-O 3.22Å; S12-K22 PolarHBondContact N-O 3.31Å; L13-K22 WeakPolarHBondContact O-CE 3.41Å; R20-K22 PolarHBondContact O-N 3.17Å
23S95.1Very high96.1Very high50 Ų5068.5 Ų68.535%0.3534%0.337SS..EExtended strand (participates in β ladder)trans-141.7143.5177.956.80000112.5M9 Y10 A21M9-S23 VanDerWaalsContact SD-CB 3.56Å; Y10-S23 CarbonylContact O-C 3.59Å; Y10-S23 WeakPolarHBondContact O-CA 3.46Å; A21-S23 VanDerWaalsContact C-N 3.32Å
24S94.7Very high96.3Very high12 Ų1263.1 Ų63.18%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-142.4152.7179.2176.50000110.4Y10 S26 N54Y10-S24 PolarHBondContact N-O 3.38Å; Y10-S24 PolarHBondContact O-N 3.48Å; S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 CarbonylContact C-O 3.59Å; S24-S26 WeakPolarHBondContact CB-O 3.43Å; S24-S26 PolarHBondContact OG-N 3.37Å; S24-S26 PolarHBondContact OG-O 3.02Å; S24-N54 PolarHBondContact OG-N 3.45Å
25S92.6Very high96.4Very high92 Ų9259.7 Ų59.764%0.64329%0.286SS*.SBendtrans-72.8-20.317753.40000113.3
26S94.3Very high96.4Very high42 Ų4267.2 Ų67.229%0.29432%0.317SS..SBendtrans-124.9171.4166.966.30000109.9S24 N54S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 CarbonylContact C-O 3.59Å; S24-S26 WeakPolarHBondContact CB-O 3.43Å; S24-S26 PolarHBondContact OG-N 3.37Å; S24-S26 PolarHBondContact OG-O 3.02Å; S26-N54 WeakPolarHBondContact OG-CB 3.45Å
27R95.9Very high96.3Very high167 Ų16768 Ų6863%0.6332%0.321SS*.  trans-55.2144.3176.7-73.6-172.8167.8107.3-6.7110.8Y10Y10-R27 HydrophobicContact CD1-CB 4.38Å; Y10-R27 HydrophobicContact CD1-CG 3.38Å; Y10-R27 HydrophobicContact CD2-CG 4.48Å; Y10-R27 HydrophobicContact CE1-CG 3.38Å; Y10-R27 HydrophobicContact CG-CG 3.94Å
28F97.6Very high96.2Very high20 Ų2067.3 Ų67.39%0.08832%0.317CS..  trans-65.9149.9164.9-72.3-105.1000108.8C16 A21 E51 I52 C53C16-F28 HydrophobicContact CB-CE1 4.06Å; A21-F28 WeakPolarHBondContact O-CE1 3.45Å; A21-F28 WeakPolarHBondContact O-CZ 3.43Å; F28-E51 HydrophobicContact CB-CB 4.08Å; F28-E51 HydrophobicContact CB-CG 4.46Å; F28-E51 HydrophobicContact CD1-CB 4.08Å; F28-E51 HydrophobicContact CG-CB 4.46Å; F28-I52 WeakPolarHBondContact CA-O 3.47Å; F28-C53 HydrophobicContact CD1-CB 4.06Å; F28-C53 HydrophobicContact CE1-CB 3.58Å; F28-C53 HydrophobicContact CZ-CB 4.08Å
29T96.6Very high96.1Very high67 Ų6774.1 Ų74.141%0.41134%0.342SS..EExtended strand (participates in β ladder)trans-124.9161.2177.157.10000109.3E51 I52T29-E51 CarbonylContact O-C 3.58Å; T29-E51 WeakPolarHBondContact O-CA 3.22Å; T29-I52 PolarHBondContact N-O 3.26Å; T29-I52 VanDerWaalsContact N-O 3.14Å; T29-I52 WeakPolarHBondContact O-CG2 3.5Å; T29-I52 PolarHBondContact O-N 2.97Å; T29-I52 WeakPolarHBondContact OG1-CG2 3.37Å
30D97.6Very high96Very high86 Ų8677.5 Ų77.546%0.4637%0.366SS..EExtended strand (participates in β ladder)trans-67.2141.5171.8-179.7-74.7000111.1K32D30-K32 WeakPolarHBondContact OD1-CB 3.43Å; D30-K32 VanDerWaalsContact OD1-CD 3.25Å; D30-K32 WeakPolarHBondContact OD1-CD 3.4Å; D30-K32 WeakPolarHBondContact OD1-CG 3.46Å; D30-K32 PolarHBondContact OD1-N 3.43Å
31S97.4Very high96Very high0 Ų073 Ų730%035%0.349CS..SBendtrans-77.8-15.7-175.853.80000115.5R33 Y34 E35 S49 G50S31-R33 PolarHBondContact O-N 3.1Å; S31-Y34 WeakPolarHBondContact O-CA 3.36Å; S31-Y34 PolarHBondContact O-N 3.48Å; S31-E35 PolarHBondContact O-N 3Å; S31-E35 PolarHBondContact OG-OE1 2.99Å; S31-S49 WeakPolarHBondContact OG-CA 3.49Å; S31-G50 WeakPolarHBondContact CB-O 3.42Å; S31-G50 PolarHBondContact N-O 2.99Å; S31-G50 PolarHBondContact OG-N 3.36Å; S31-G50 PolarHBondContact OG-O 3.07Å; S31-G50 VanDerWaalsContact OG-O 3.07Å
32K97.6Very high96Very high149 Ų14972.6 Ų72.665%0.64835%0.346SS*.THydrogen-bonded Turntrans-48.1-37.8-167.4-76167.4-170.2-178.50114.7D30 Y34 E35D30-K32 WeakPolarHBondContact OD1-CB 3.43Å; D30-K32 VanDerWaalsContact OD1-CD 3.25Å; D30-K32 WeakPolarHBondContact OD1-CD 3.4Å; D30-K32 WeakPolarHBondContact OD1-CG 3.46Å; D30-K32 PolarHBondContact OD1-N 3.43Å; K32-Y34 PolarHBondContact O-N 3.49Å; K32-E35 WeakPolarHBondContact CA-OE1 3.35Å; K32-E35 PolarHBondContact N-OE1 3.44Å
33R96.8Very high95.9Very high214 Ų21468.6 Ų68.681%0.80834%0.339SS*.THydrogen-bonded Turntrans-71.5-16.7-178.9-63.8-173.7-174.9-120.11.9114.3S31S31-R33 PolarHBondContact O-N 3.1Å
34Y96.9Very high95.8Very high45 Ų4567.3 Ų67.318%0.17633%0.328CS..THydrogen-bonded Turntrans-115.6-12.8-172.8-51.5-69.4000113.1S31 K32 K36 D37 F38 I52 V57 V60S31-Y34 WeakPolarHBondContact O-CA 3.36Å; S31-Y34 PolarHBondContact O-N 3.48Å; K32-Y34 PolarHBondContact O-N 3.49Å; Y34-K36 VanDerWaalsContact C-N 3.28Å; Y34-K36 PolarHBondContact O-N 3.35Å; Y34-D37 WeakPolarHBondContact O-CB 3.45Å; Y34-D37 PolarHBondContact O-N 2.92Å; Y34-F38 VanDerWaalsContact CB-CE1 3.46Å; Y34-F38 WeakPolarHBondContact O-CD1 3.38Å; Y34-F38 WeakPolarHBondContact O-CE1 3.47Å; Y34-F38 PolarHBondContact O-N 3.37Å; Y34-I52 HydrophobicContact CD2-CG2 4.23Å; Y34-I52 HydrophobicContact CE2-CG2 4.4Å; Y34-V57 HydrophobicContact CD2-CG2 4.35Å; Y34-V57 HydrophobicContact CE1-CG1 4.09Å; Y34-V57 HydrophobicContact CE2-CG1 4.22Å; Y34-V57 HydrophobicContact CE2-CG2 3.85Å; Y34-V57 WeakPolarHBondContact OH-CG1 3.42Å; Y34-V60 HydrophobicContact CD1-CB 4.47Å; Y34-V60 HydrophobicContact CD1-CG1 3.96Å
35E96.5Very high95.6Very high65 Ų6572.3 Ų72.330%0.30436%0.363SS..Hα-helixtrans-54.4-40.7-174.1-79.2166.9-161.400113.6S31 K32 D37 F38 S49S31-E35 PolarHBondContact O-N 3Å; S31-E35 PolarHBondContact OG-OE1 2.99Å; K32-E35 WeakPolarHBondContact CA-OE1 3.35Å; K32-E35 PolarHBondContact N-OE1 3.44Å; E35-D37 PolarHBondContact O-N 3.25Å; E35-F38 HydrophobicContact CB-CD2 4.37Å; E35-F38 HydrophobicContact CB-CE2 4.33Å; E35-F38 HydrophobicContact CG-CD2 4.1Å; E35-F38 HydrophobicContact CG-CE2 3.67Å; E35-F38 HydrophobicContact CG-CZ 4.35Å; E35-F38 WeakPolarHBondContact O-CB 3.41Å; E35-F38 PolarHBondContact O-N 3Å; E35-F38 VanDerWaalsContact O-N 3.12Å; E35-S49 WeakPolarHBondContact OE1-CB 3.36Å
36K95.6Very high95.5Very high161 Ų16172.7 Ų72.770%0.735%0.354SS*.Hα-helixtrans-60.2-26.8176.566.9176.8-172.6171.70114.2Y34Y34-K36 VanDerWaalsContact C-N 3.28Å; Y34-K36 PolarHBondContact O-N 3.35Å
37D95.3Very high95.4Very high17 Ų1775.1 Ų75.19%0.09137%0.368CS..Hα-helixtrans-92.4-9.1-177.3-55.8-44.3000111.3Y34 E35 C41 V60 W63 K64Y34-D37 WeakPolarHBondContact O-CB 3.45Å; Y34-D37 PolarHBondContact O-N 2.92Å; E35-D37 PolarHBondContact O-N 3.25Å; D37-C41 WeakPolarHBondContact O-CB 3.44Å; D37-C41 PolarHBondContact O-N 3.42Å; D37-V60 HydrophobicContact CB-CG1 3.84Å; D37-W63 HydrophobicContact CB-CE3 4.33Å; D37-W63 HydrophobicContact CB-CZ3 3.97Å; D37-K64 IonicContact OD1-NZ 3.64Å; D37-K64 IonicContact OD2-NZ 3.29Å; D37-K64 PolarHBondContact OD2-NZ 2.9Å
38F96.5Very high95.3Very high3 Ų371 Ų711%0.01335%0.352CS..Hα-helixtrans-66-42.7-171-72.8-10.9000113.9I18 Y34 E35 F42 L44 R48 I52 V60I18-F38 HydrophobicContact CD1-CD1 4.16Å; I18-F38 HydrophobicContact CD1-CD2 3.85Å; I18-F38 HydrophobicContact CD1-CE1 4.23Å; I18-F38 HydrophobicContact CD1-CE2 3.96Å; I18-F38 HydrophobicContact CD1-CG 3.97Å; I18-F38 HydrophobicContact CD1-CZ 4.15Å; I18-F38 HydrophobicContact CG1-CE1 4.43Å; I18-F38 HydrophobicContact CG1-CZ 4.4Å; Y34-F38 VanDerWaalsContact CB-CE1 3.46Å; Y34-F38 WeakPolarHBondContact O-CD1 3.38Å; Y34-F38 WeakPolarHBondContact O-CE1 3.47Å; Y34-F38 PolarHBondContact O-N 3.37Å; E35-F38 HydrophobicContact CB-CD2 4.37Å; E35-F38 HydrophobicContact CB-CE2 4.33Å; E35-F38 HydrophobicContact CG-CD2 4.1Å; E35-F38 HydrophobicContact CG-CE2 3.67Å; E35-F38 HydrophobicContact CG-CZ 4.35Å; E35-F38 WeakPolarHBondContact O-CB 3.41Å; E35-F38 PolarHBondContact O-N 3Å; E35-F38 VanDerWaalsContact O-N 3.12Å; F38-F42 HydrophobicContact CB-CD2 4.45Å; F38-F42 HydrophobicContact CD1-CD2 4.12Å; F38-F42 AromaticContact CD1-CE2 3.93Å; F38-F42 HydrophobicContact CD1-CE2 3.93Å; F38-F42 HydrophobicContact CE1-CE2 4.33Å; F38-F42 WeakPolarHBondContact O-CB 3.37Å; F38-F42 PolarHBondContact O-N 3.1Å; F38-L44 HydrophobicContact CB-CD1 4.25Å; F38-R48 WeakPolarHBondContact CD2-O 3.38Å; F38-R48 VanDerWaalsContact CE2-O 3.28Å; F38-R48 WeakPolarHBondContact CE2-O 3.26Å; F38-I52 HydrophobicContact CE1-CD1 3.83Å; F38-I52 HydrophobicContact CZ-CD1 3.85Å; F38-V60 HydrophobicContact CD1-CG2 4.34Å; F38-V60 HydrophobicContact CE1-CG2 4.23Å
39R95.4Very high95.3Very high142 Ų14274.2 Ų74.254%0.53638%0.377SS..Hα-helixtrans-57.4-55.2-179.5-68.6-170171.6134.4-8.3110.9G43 L44 S45R39-G43 CarbonylContact O-C 3.59Å; R39-G43 WeakPolarHBondContact O-CA 3.43Å; R39-G43 PolarHBondContact O-N 2.97Å; R39-L44 WeakPolarHBondContact CA-O 3.32Å; R39-L44 WeakPolarHBondContact CB-O 3.13Å; R39-L44 WeakPolarHBondContact CG-O 3.26Å; R39-L44 PolarHBondContact O-N 3.37Å; R39-L44 VanDerWaalsContact O-N 3.15Å; R39-S45 PolarHBondContact NE-O 3.49Å
40S94.9Very high95.3Very high72 Ų7272.6 Ų72.650%0.50337%0.374SS..Hα-helixtrans-73.9-37.4-177.9-470000113.5
41C96.2Very high95.3Very high0 Ų071.9 Ų71.90%037%0.368CS..Hα-helixtrans-70.6-40.1-178.7-179.10000112.3D37 W63 N73 W74D37-C41 WeakPolarHBondContact O-CB 3.44Å; D37-C41 PolarHBondContact O-N 3.42Å; C41-W63 HydrophobicContact CB-CB 4.25Å; C41-W63 HydrophobicContact CB-CD2 3.81Å; C41-W63 HydrophobicContact CB-CE3 4.11Å; C41-W63 HydrophobicContact CB-CG 3.84Å; C41-W63 VanDerWaalsContact SG-CB 3.55Å; C41-N73 WeakPolarHBondContact O-CA 3.04Å; C41-W74 PolarHBondContact O-N 3.38Å
42F96.8Very high95.3Very high0 Ų071.9 Ų71.90%037%0.368CS..Hα-helixtrans-109.6-1.9-174.3-62.3-70.3000113.6I18 F38 L44 C56 L59 V60 W74 N75 V78I18-F42 HydrophobicContact CD1-CD2 4.05Å; I18-F42 HydrophobicContact CD1-CE2 4.17Å; I18-F42 HydrophobicContact CG1-CD2 4.32Å; I18-F42 HydrophobicContact CG1-CE2 4Å; I18-F42 HydrophobicContact CG1-CZ 4.43Å; I18-F42 HydrophobicContact CG2-CD1 3.77Å; I18-F42 HydrophobicContact CG2-CD2 4Å; I18-F42 HydrophobicContact CG2-CE1 3.77Å; I18-F42 HydrophobicContact CG2-CE2 4Å; I18-F42 HydrophobicContact CG2-CG 3.91Å; I18-F42 HydrophobicContact CG2-CZ 3.89Å; F38-F42 HydrophobicContact CB-CD2 4.45Å; F38-F42 HydrophobicContact CD1-CD2 4.12Å; F38-F42 AromaticContact CD1-CE2 3.93Å; F38-F42 HydrophobicContact CD1-CE2 3.93Å; F38-F42 HydrophobicContact CE1-CE2 4.33Å; F38-F42 WeakPolarHBondContact O-CB 3.37Å; F38-F42 PolarHBondContact O-N 3.1Å; F42-L44 VanDerWaalsContact C-N 3.31Å; F42-L44 HydrophobicContact CB-CD1 3.91Å; F42-L44 HydrophobicContact CB-CG 3.89Å; F42-C56 HydrophobicContact CZ-CB 4.35Å; F42-L59 HydrophobicContact CE1-CB 4.15Å; F42-L59 HydrophobicContact CE1-CD1 3.97Å; F42-L59 HydrophobicContact CZ-CB 4.18Å; F42-V60 HydrophobicContact CE2-CG2 3.61Å; F42-V60 HydrophobicContact CZ-CG2 3.89Å; F42-W74 HydrophobicContact CD1-CB 3.76Å; F42-W74 HydrophobicContact CE1-CB 4.03Å; F42-N75 WeakPolarHBondContact O-CA 3.27Å; F42-N75 WeakPolarHBondContact O-CB 3.33Å; F42-N75 PolarHBondContact O-N 3.32Å; F42-V78 HydrophobicContact CB-CG2 3.8Å; F42-V78 HydrophobicContact CG-CG2 4.45Å
43G94.3Very high95.3Very high36 Ų3665 Ų6537%0.37134%0.338SS..THydrogen-bonded Turntrans64.338.1-175.800000112.2R39R39-G43 CarbonylContact O-C 3.59Å; R39-G43 WeakPolarHBondContact O-CA 3.43Å; R39-G43 PolarHBondContact O-N 2.97Å
44L93.4Very high95.4Very high23 Ų2357.4 Ų57.412%0.1231%0.314CS..  trans-90.8133.8180-71.6169.1000110.3I18 F38 R39 F42 R48 V78I18-L44 HydrophobicContact CD1-CD1 3.89Å; F38-L44 HydrophobicContact CB-CD1 4.25Å; R39-L44 WeakPolarHBondContact CA-O 3.32Å; R39-L44 WeakPolarHBondContact CB-O 3.13Å; R39-L44 WeakPolarHBondContact CG-O 3.26Å; R39-L44 PolarHBondContact O-N 3.37Å; R39-L44 VanDerWaalsContact O-N 3.15Å; F42-L44 VanDerWaalsContact C-N 3.31Å; F42-L44 HydrophobicContact CB-CD1 3.91Å; F42-L44 HydrophobicContact CB-CG 3.89Å; L44-R48 HydrophobicContact CD1-CG 4.37Å; L44-V78 HydrophobicContact CD2-CB 4.35Å; L44-V78 HydrophobicContact CD2-CG1 3.63Å; L44-V78 HydrophobicContact CD2-CG2 3.79Å; L44-V78 HydrophobicContact CG-CG2 4.13Å
45S90.1Very high95.4Very high117 Ų11757.6 Ų57.682%0.81833%0.325SS*.SBendtrans-76.7-43.3168.151.90000111.2R39R39-S45 PolarHBondContact NE-O 3.49Å
46E90.5Very high95.4Very high101 Ų10154.6 Ų54.647%0.47231%0.31SS..SBendtrans-89.4143.7-176.7-165.3-174.5170.200113.3R48E46-R48 PolarHBondContact O-N 3.01Å; E46-R48 IonicContact OE2-CZ 3.24Å; E46-R48 IonicContact OE2-NE 3.5Å; E46-R48 PolarHBondContact OE2-NE 2.95Å; E46-R48 IonicContact OE2-NH1 3.41Å; E46-R48 IonicContact OE2-NH2 3.54Å; E46-R48 PolarHBondContact OE2-NH2 3.06Å
47T91.1Very high95.5Very high93 Ų9347.2 Ų47.257%0.57128%0.279SS*.  trans-73.8121.6168.848.60000110.8
48R95.1Very high95.6Very high79 Ų7950.6 Ų50.630%0.29830%0.297SS..  trans-106.8139.7174.8-61.1-66.7-179.6171.5-5.2110.1F38 L44 E46F38-R48 WeakPolarHBondContact CD2-O 3.38Å; F38-R48 VanDerWaalsContact CE2-O 3.28Å; F38-R48 WeakPolarHBondContact CE2-O 3.26Å; L44-R48 HydrophobicContact CD1-CG 4.37Å; E46-R48 PolarHBondContact O-N 3.01Å; E46-R48 IonicContact OE2-CZ 3.24Å; E46-R48 IonicContact OE2-NE 3.5Å; E46-R48 PolarHBondContact OE2-NE 2.95Å; E46-R48 IonicContact OE2-NH1 3.41Å; E46-R48 IonicContact OE2-NH2 3.54Å; E46-R48 PolarHBondContact OE2-NH2 3.06Å
49S96.8Very high95.7Very high88 Ų8851.7 Ų51.762%0.61530%0.302SS*.  trans-133.4160.3174.760.60000110.9S31 E35S31-S49 WeakPolarHBondContact OG-CA 3.49Å; E35-S49 WeakPolarHBondContact OE1-CB 3.36Å
50G96.8Very high95.8Very high33 Ų3344.9 Ų44.934%0.3428%0.277SS..SBendtrans135.2-146.7177.100000113.3S31S31-G50 WeakPolarHBondContact CB-O 3.42Å; S31-G50 PolarHBondContact N-O 2.99Å; S31-G50 PolarHBondContact OG-N 3.36Å; S31-G50 PolarHBondContact OG-O 3.07Å; S31-G50 VanDerWaalsContact OG-O 3.07Å
51E97.5Very high95.8Very high72 Ų7247 Ų4734%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-81132.1176.9-69.5-164.6111.400110.9S12 C16 C17 F28 T29S12-E51 WeakPolarHBondContact CB-OE2 3.49Å; S12-E51 PolarHBondContact OG-OE2 3.19Å; C16-E51 CarbonylContact C-O 3.44Å; C16-E51 WeakPolarHBondContact CA-O 3.15Å; C17-E51 PolarHBondContact N-O 3.39Å; F28-E51 HydrophobicContact CB-CB 4.08Å; F28-E51 HydrophobicContact CB-CG 4.46Å; F28-E51 HydrophobicContact CD1-CB 4.08Å; F28-E51 HydrophobicContact CG-CB 4.46Å; T29-E51 CarbonylContact O-C 3.58Å; T29-E51 WeakPolarHBondContact O-CA 3.22Å
52I98Very high95.9Very high0 Ų054.2 Ų54.20%030%0.304CS..EExtended strand (participates in β ladder)trans-112.2136.4175-169170.6000110.8I18 F28 T29 Y34 F38 C56 V57I18-I52 HydrophobicContact CG1-CD1 4.39Å; F28-I52 WeakPolarHBondContact CA-O 3.47Å; T29-I52 PolarHBondContact N-O 3.26Å; T29-I52 VanDerWaalsContact N-O 3.14Å; T29-I52 WeakPolarHBondContact O-CG2 3.5Å; T29-I52 PolarHBondContact O-N 2.97Å; T29-I52 WeakPolarHBondContact OG1-CG2 3.37Å; Y34-I52 HydrophobicContact CD2-CG2 4.23Å; Y34-I52 HydrophobicContact CE2-CG2 4.4Å; F38-I52 HydrophobicContact CE1-CD1 3.83Å; F38-I52 HydrophobicContact CZ-CD1 3.85Å; I52-C56 HydrophobicContact CD1-CB 3.86Å; I52-C56 HydrophobicContact CG1-CB 3.69Å; I52-V57 HydrophobicContact CB-CG2 4.42Å; I52-V57 HydrophobicContact CD1-CG2 3.96Å; I52-V57 HydrophobicContact CG1-CG2 3.98Å; I52-V57 HydrophobicContact CG2-CG2 3.64Å
53C97.7Very high95.9Very high4 Ų456.8 Ų56.83%0.02731%0.314CS..  trans-81158.217676.10000111.7C16 C19 F28 A55 C56 V57C16-C53 HydrophobicContact CB-CB 3.92Å; C16-C53 PolarHBondContact SG-N 3.44Å; C19-C53 VanDerWaalsContact SG-SG 3.64Å; F28-C53 HydrophobicContact CD1-CB 4.06Å; F28-C53 HydrophobicContact CE1-CB 3.58Å; F28-C53 HydrophobicContact CZ-CB 4.08Å; C53-A55 VanDerWaalsContact C-N 3.28Å; C53-A55 PolarHBondContact O-N 3.35Å; C53-C56 PolarHBondContact O-N 3.42Å; C53-C56 VanDerWaalsContact O-N 3.15Å; C53-V57 PolarHBondContact O-N 3.31Å; C53-V57 VanDerWaalsContact O-N 3.08Å
54N97.4Very high95.9Very high55 Ų5560.3 Ų60.329%0.29432%0.319SS..Hα-helixtrans-59-38-178.5-173.660.3000113.5S24 S26 C56 V57 L58S24-N54 PolarHBondContact OG-N 3.45Å; S26-N54 WeakPolarHBondContact OG-CB 3.45Å; N54-C56 PolarHBondContact O-N 3.3Å; N54-V57 PolarHBondContact O-N 3.16Å; N54-L58 VanDerWaalsContact O-CG 3.31Å; N54-L58 WeakPolarHBondContact O-CG 3.4Å; N54-L58 PolarHBondContact O-N 3.14Å
55A97.4Very high96Very high49 Ų4968.2 Ų68.241%0.40535%0.352SS..Hα-helixtrans-60.4-45.2178.200000111.6C53 L58 L59C53-A55 VanDerWaalsContact C-N 3.28Å; C53-A55 PolarHBondContact O-N 3.35Å; A55-L58 PolarHBondContact O-N 3.5Å; A55-L59 WeakPolarHBondContact O-CG 3.31Å; A55-L59 PolarHBondContact O-N 3.27Å; A55-L59 VanDerWaalsContact O-N 3.1Å
56C97.6Very high96.1Very high1 Ų165 Ų651%0.00733%0.326CS..Hα-helixtrans-67.7-37.2177.9-690000111.9C16 I18 C19 F42 I52 C53 N54 L58 L59 V60C16-C56 VanDerWaalsContact SG-SG 3.63Å; I18-C56 HydrophobicContact CB-CB 4.4Å; C19-C56 PolarHBondContact SG-SG 3.18Å; F42-C56 HydrophobicContact CZ-CB 4.35Å; I52-C56 HydrophobicContact CD1-CB 3.86Å; I52-C56 HydrophobicContact CG1-CB 3.69Å; C53-C56 PolarHBondContact O-N 3.42Å; C53-C56 VanDerWaalsContact O-N 3.15Å; N54-C56 PolarHBondContact O-N 3.3Å; C56-L58 VanDerWaalsContact C-N 3.3Å; C56-L58 PolarHBondContact O-N 2.99Å; C56-L59 WeakPolarHBondContact O-CB 3.46Å; C56-L59 PolarHBondContact O-N 3.28Å; C56-V60 PolarHBondContact O-N 3.3Å; C56-V60 VanDerWaalsContact O-N 3.09Å
57V97.5Very high96.3Very high7 Ų764.9 Ų64.94%0.04233%0.334CS..Hα-helixtrans-59.4-42.2171.9172.50000111.4Y34 I52 C53 N54 L59 V60 K61Y34-V57 HydrophobicContact CD2-CG2 4.35Å; Y34-V57 HydrophobicContact CE1-CG1 4.09Å; Y34-V57 HydrophobicContact CE2-CG1 4.22Å; Y34-V57 HydrophobicContact CE2-CG2 3.85Å; Y34-V57 WeakPolarHBondContact OH-CG1 3.42Å; I52-V57 HydrophobicContact CB-CG2 4.42Å; I52-V57 HydrophobicContact CD1-CG2 3.96Å; I52-V57 HydrophobicContact CG1-CG2 3.98Å; I52-V57 HydrophobicContact CG2-CG2 3.64Å; C53-V57 PolarHBondContact O-N 3.31Å; C53-V57 VanDerWaalsContact O-N 3.08Å; N54-V57 PolarHBondContact O-N 3.16Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.1Å; V57-V60 PolarHBondContact O-N 3.46Å; V57-K61 HydrophobicContact CG1-CD 4.25Å; V57-K61 WeakPolarHBondContact O-CG 3.31Å; V57-K61 PolarHBondContact O-N 3.03Å
58L97.4Very high96.2Very high88 Ų8867.7 Ų67.746%0.46135%0.35SS..Hα-helixtrans-66.2-32.6178.1-70.1174000112.5N54 A55 C56 R62N54-L58 VanDerWaalsContact O-CG 3.31Å; N54-L58 WeakPolarHBondContact O-CG 3.4Å; N54-L58 PolarHBondContact O-N 3.14Å; A55-L58 PolarHBondContact O-N 3.5Å; C56-L58 VanDerWaalsContact C-N 3.3Å; C56-L58 PolarHBondContact O-N 2.99Å; L58-R62 VanDerWaalsContact O-CB 3.27Å; L58-R62 WeakPolarHBondContact O-CB 3.46Å; L58-R62 PolarHBondContact O-N 3.08Å
59L97.6Very high95.8Very high25 Ų2567.8 Ų67.813%0.13138%0.376CS..Hα-helixtrans-65.8-46.7173.6-67.6178.2000111.4F42 A55 C56 V57 K61 R62 W63 W74 V77F42-L59 HydrophobicContact CE1-CB 4.15Å; F42-L59 HydrophobicContact CE1-CD1 3.97Å; F42-L59 HydrophobicContact CZ-CB 4.18Å; A55-L59 WeakPolarHBondContact O-CG 3.31Å; A55-L59 PolarHBondContact O-N 3.27Å; A55-L59 VanDerWaalsContact O-N 3.1Å; C56-L59 WeakPolarHBondContact O-CB 3.46Å; C56-L59 PolarHBondContact O-N 3.28Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.1Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.93Å; L59-R62 PolarHBondContact O-N 3.16Å; L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 3.37Å; L59-W74 HydrophobicContact CD1-CG 4.37Å; L59-W74 VanDerWaalsContact CD2-CD1 3.44Å; L59-W74 HydrophobicContact CD2-CG 4.33Å; L59-V77 HydrophobicContact CD1-CB 4.35Å; L59-V77 HydrophobicContact CD1-CG1 4Å; L59-V77 HydrophobicContact CD1-CG2 3.84Å
60V97.1Very high95.5Very high0 Ų066 Ų660%036%0.361CS..Hα-helixtrans-58.9-46.5175.1177.60000110.7Y34 D37 F38 F42 C56 V57 R62 W63 K64Y34-V60 HydrophobicContact CD1-CB 4.47Å; Y34-V60 HydrophobicContact CD1-CG1 3.96Å; D37-V60 HydrophobicContact CB-CG1 3.84Å; F38-V60 HydrophobicContact CD1-CG2 4.34Å; F38-V60 HydrophobicContact CE1-CG2 4.23Å; F42-V60 HydrophobicContact CE2-CG2 3.61Å; F42-V60 HydrophobicContact CZ-CG2 3.89Å; C56-V60 PolarHBondContact O-N 3.3Å; C56-V60 VanDerWaalsContact O-N 3.09Å; V57-V60 PolarHBondContact O-N 3.46Å; V60-R62 VanDerWaalsContact C-N 3.32Å; V60-R62 PolarHBondContact O-N 2.06Å; V60-W63 PolarHBondContact O-N 3.4Å; V60-K64 HydrophobicContact CG1-CD 4.28Å; V60-K64 WeakPolarHBondContact O-CG 3.06Å; V60-K64 PolarHBondContact O-N 3.27Å
61K96.7Very high95.2Very high115 Ų11574 Ų7450%0.539%0.387SS..Hα-helixtrans-61.4-39.1177-73.5-179.3177.2-1770113V57 L59 K65V57-K61 HydrophobicContact CG1-CD 4.25Å; V57-K61 WeakPolarHBondContact O-CG 3.31Å; V57-K61 PolarHBondContact O-N 3.03Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.93Å; K61-K65 WeakPolarHBondContact O-CG 3.36Å
62R97.2Very high95Very high153 Ų15377.3 Ų77.358%0.57740%0.4SS*.Hα-helixtrans-67.5-41.8176-179.5-175.9-65.5174.6-1.7111L58 L59 V60 K65L58-R62 VanDerWaalsContact O-CB 3.27Å; L58-R62 WeakPolarHBondContact O-CB 3.46Å; L58-R62 PolarHBondContact O-N 3.08Å; L59-R62 PolarHBondContact O-N 3.16Å; V60-R62 VanDerWaalsContact C-N 3.32Å; V60-R62 PolarHBondContact O-N 2.06Å; R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 3.1Å; R62-K65 VanDerWaalsContact O-N 3.13Å
63W96.5Very high94.8Very high54 Ų5481 Ų8121%0.20542%0.42CS..Hα-helixtrans-61.6-44.2178.8176.383.8000111.7D37 C41 L59 V60 K65 L66 W74D37-W63 HydrophobicContact CB-CE3 4.33Å; D37-W63 HydrophobicContact CB-CZ3 3.97Å; C41-W63 HydrophobicContact CB-CB 4.25Å; C41-W63 HydrophobicContact CB-CD2 3.81Å; C41-W63 HydrophobicContact CB-CE3 4.11Å; C41-W63 HydrophobicContact CB-CG 3.84Å; C41-W63 VanDerWaalsContact SG-CB 3.55Å; L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 3.37Å; V60-W63 PolarHBondContact O-N 3.4Å; W63-K65 PolarHBondContact O-N 3.46Å; W63-L66 HydrophobicContact CB-CD1 4.48Å; W63-L66 HydrophobicContact CG-CD1 4.43Å; W63-L66 VanDerWaalsContact O-CB 3.31Å; W63-L66 WeakPolarHBondContact O-CB 3.34Å; W63-L66 WeakPolarHBondContact O-CG 3.45Å; W63-L66 PolarHBondContact O-N 3.5Å; W63-W74 AromaticContact CD1-CZ3 3.74Å
64K94.6Very high94.7Very high110 Ų11082.5 Ų82.548%0.47843%0.425SS..THydrogen-bonded Turntrans-61.9-16.4175.5-64.3177.989.61340114.6D37 V60D37-K64 IonicContact OD1-NZ 3.64Å; D37-K64 IonicContact OD2-NZ 3.29Å; D37-K64 PolarHBondContact OD2-NZ 2.9Å; V60-K64 HydrophobicContact CG1-CD 4.28Å; V60-K64 WeakPolarHBondContact O-CG 3.06Å; V60-K64 PolarHBondContact O-N 3.27Å
65K95.1Very high94.6Very high189 Ų18983.7 Ų83.782%0.82243%0.431SS*.THydrogen-bonded Turntrans-93.5-3.4177.6-70.1-92-177.4175.60112.5K61 R62 W63K61-K65 WeakPolarHBondContact O-CG 3.36Å; R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 3.1Å; R62-K65 VanDerWaalsContact O-N 3.13Å; W63-K65 PolarHBondContact O-N 3.46Å
66L93.5Very high94.5Very high49 Ų4988.3 Ų88.326%0.25744%0.444SS..SBendtrans-76.3156.2177.9-64.5168.2000111W63 V68 T70 W74W63-L66 HydrophobicContact CB-CD1 4.48Å; W63-L66 HydrophobicContact CG-CD1 4.43Å; W63-L66 VanDerWaalsContact O-CB 3.31Å; W63-L66 WeakPolarHBondContact O-CB 3.34Å; W63-L66 WeakPolarHBondContact O-CG 3.45Å; W63-L66 PolarHBondContact O-N 3.5Å; L66-V68 PolarHBondContact O-N 3.49Å; L66-T70 HydrophobicContact CB-CG2 3.69Å; L66-T70 HydrophobicContact CD1-CG2 3.8Å; L66-T70 HydrophobicContact CG-CG2 4.34Å; L66-W74 HydrophobicContact CD1-CH2 3.49Å; L66-W74 VanDerWaalsContact CD1-CH2 3.49Å; L66-W74 HydrophobicContact CD1-CZ3 3.73Å
67P94.3Very high94.4Very high99 Ų9989.2 Ų89.264%0.64345%0.449SS*.PPolyproline II helixtrans-55.5138.5171.3-23.233.6000111.4G69 T70P67-G69 PolarHBondContact O-N 2.84Å; P67-T70 PolarHBondContact O-N 2.75Å
68V88.8Confident94.4Very high152 Ų15290.3 Ų90.392%0.92146%0.456SS*.THydrogen-bonded Turntrans-59136.4172.7-65.40000109.4L66L66-V68 PolarHBondContact O-N 3.49Å
69G87.1Confident94.2Very high80 Ų8088.9 Ų88.983%0.82545%0.449SS*.THydrogen-bonded Turntrans91.32.8-174.300000115.5P67 K71P67-G69 PolarHBondContact O-N 2.84Å; G69-K71 PolarHBondContact O-N 3.01Å
70T89.9Confident94Very high52 Ų5290.9 Ų90.932%0.31947%0.469SS..  trans-70.2129.1172.5-164.70000111.8L66 P67 K72L66-T70 HydrophobicContact CB-CG2 3.69Å; L66-T70 HydrophobicContact CD1-CG2 3.8Å; L66-T70 HydrophobicContact CG-CG2 4.34Å; P67-T70 PolarHBondContact O-N 2.75Å; T70-K72 PolarHBondContact O-N 3.33Å; T70-K72 PolarHBondContact OG1-N 2.96Å
71K90.4Very high93.7Very high201 Ų20197 Ų9787%0.87449%0.492SS*.  trans-82.95.6170.3-60.5-174.4179.7-173.10113.1G69 N73G69-K71 PolarHBondContact O-N 3.01Å; K71-N73 PolarHBondContact O-N 3.09Å
72K93.1Very high92.9Very high140 Ų14093.6 Ų93.661%0.60949%0.489SS*.  trans-69.2125.9-179.2-72.9-175.4179179.90110.4T70 W74T70-K72 PolarHBondContact O-N 3.33Å; T70-K72 PolarHBondContact OG1-N 2.96Å; K72-W74 HydrophobicContact CB-CH2 4.08Å; K72-W74 HydrophobicContact CB-CZ3 3.9Å; K72-W74 WeakPolarHBondContact O-CZ3 3.42Å
73N93.7Very high91.5Very high79 Ų7988 Ų8842%0.42248%0.479SS..  trans-128.2164.9173.565.563.5000110.9C41 K71 N75C41-N73 WeakPolarHBondContact O-CA 3.04Å; K71-N73 PolarHBondContact O-N 3.09Å; N73-N75 WeakPolarHBondContact OD1-CB 3.38Å; N73-N75 PolarHBondContact OD1-N 3.05Å
74W96.1Very high89.8Confident35 Ų3592.2 Ų92.213%0.13351%0.514CS..  trans-110.234.2-177.2-79.9-103.9000111.7C41 F42 L59 W63 L66 K72 H76 V77C41-W74 PolarHBondContact O-N 3.38Å; F42-W74 HydrophobicContact CD1-CB 3.76Å; F42-W74 HydrophobicContact CE1-CB 4.03Å; L59-W74 HydrophobicContact CD1-CG 4.37Å; L59-W74 VanDerWaalsContact CD2-CD1 3.44Å; L59-W74 HydrophobicContact CD2-CG 4.33Å; W63-W74 AromaticContact CD1-CZ3 3.74Å; L66-W74 HydrophobicContact CD1-CH2 3.49Å; L66-W74 VanDerWaalsContact CD1-CH2 3.49Å; L66-W74 HydrophobicContact CD1-CZ3 3.73Å; K72-W74 HydrophobicContact CB-CH2 4.08Å; K72-W74 HydrophobicContact CB-CZ3 3.9Å; K72-W74 WeakPolarHBondContact O-CZ3 3.42Å; W74-H76 VanDerWaalsContact C-N 3.27Å; W74-H76 AromaticContact CD1-CE1 3.99Å; W74-H76 PolarHBondContact O-N 2.8Å; W74-V77 HydrophobicContact CB-CG2 4.29Å; W74-V77 WeakPolarHBondContact O-CB 3.38Å; W74-V77 PolarHBondContact O-N 2.88Å
75N96.1Very high87.6Confident80 Ų8092.4 Ų92.443%0.42853%0.529SS..G310 helixtrans-56.6-37.8-174.9-167.7-8000113.2F42 N73 V77 V78F42-N75 WeakPolarHBondContact O-CA 3.27Å; F42-N75 WeakPolarHBondContact O-CB 3.33Å; F42-N75 PolarHBondContact O-N 3.32Å; N73-N75 WeakPolarHBondContact OD1-CB 3.38Å; N73-N75 PolarHBondContact OD1-N 3.05Å; N75-V77 PolarHBondContact O-N 2.99Å; N75-V78 VanDerWaalsContact O-CB 3.31Å; N75-V78 WeakPolarHBondContact O-CB 3.41Å; N75-V78 WeakPolarHBondContact O-CG2 3.43Å; N75-V78 PolarHBondContact O-N 3.19Å
76H94.2Very high85.7Confident146 Ų14689.8 Ų89.868%0.67652%0.523SS*.G310 helixtrans-55.2-14.9175.169.1-88.4000115.5W74W74-H76 VanDerWaalsContact C-N 3.27Å; W74-H76 AromaticContact CD1-CE1 3.99Å; W74-H76 PolarHBondContact O-N 2.8Å
77V96.5Very high83.4Confident19 Ų1996.3 Ų96.312%0.11555%0.55CS..G310 helixtrans-86.6-25.7177.3-178.80000112.2C19 L59 W74 N75 D79 A80C19-V77 WeakPolarHBondContact CA-O 3.36Å; C19-V77 HydrophobicContact CB-CG1 3.88Å; C19-V77 WeakPolarHBondContact CB-O 3.42Å; L59-V77 HydrophobicContact CD1-CB 4.35Å; L59-V77 HydrophobicContact CD1-CG1 4Å; L59-V77 HydrophobicContact CD1-CG2 3.84Å; W74-V77 HydrophobicContact CB-CG2 4.29Å; W74-V77 WeakPolarHBondContact O-CB 3.38Å; W74-V77 PolarHBondContact O-N 2.88Å; N75-V77 PolarHBondContact O-N 2.99Å; V77-D79 PolarHBondContact O-N 2.88Å; V77-A80 WeakPolarHBondContact O-CB 3.43Å; V77-A80 PolarHBondContact O-N 2.94Å
78V96.1Very high81.4Confident30 Ų3098.7 Ų98.718%0.18256%0.555CS.*THydrogen-bonded Turntrans-61.3128.1-178.2179.10000109.1I18 F42 L44 N75 A80I18-V78 HydrophobicContact CG2-CG2 4.34Å; I18-V78 CarbonylContact O-C 3.6Å; I18-V78 WeakPolarHBondContact O-CA 3.46Å; F42-V78 HydrophobicContact CB-CG2 3.8Å; F42-V78 HydrophobicContact CG-CG2 4.45Å; L44-V78 HydrophobicContact CD2-CB 4.35Å; L44-V78 HydrophobicContact CD2-CG1 3.63Å; L44-V78 HydrophobicContact CD2-CG2 3.79Å; L44-V78 HydrophobicContact CG-CG2 4.13Å; N75-V78 VanDerWaalsContact O-CB 3.31Å; N75-V78 WeakPolarHBondContact O-CB 3.41Å; N75-V78 WeakPolarHBondContact O-CG2 3.43Å; N75-V78 PolarHBondContact O-N 3.19Å; V78-A80 PolarHBondContact O-N 3.24Å
79D94.3Very high79.3Confident59 Ų5997.6 Ų97.632%0.31655%0.549SS..THydrogen-bonded Turntrans52.516.6178.8-64.5-28.1000115.9I18 R20 V77 R81 G82I18-D79 PolarHBondContact O-N 2.85Å; R20-D79 WeakPolarHBondContact CD-OD1 3.35Å; R20-D79 HydrophobicContact CG-CB 4.43Å; R20-D79 WeakPolarHBondContact CG-OD1 3.4Å; R20-D79 IonicContact CZ-OD1 3.56Å; R20-D79 IonicContact NE-OD1 2.69Å; R20-D79 PolarHBondContact NE-OD1 3.31Å; R20-D79 IonicContact NH2-OD1 3.03Å; R20-D79 PolarHBondContact NH2-OD1 3.37Å; R20-D79 IonicContact NH2-OD2 2.72Å; V77-D79 PolarHBondContact O-N 2.88Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-G82 WeakPolarHBondContact O-CA 3.36Å; D79-G82 PolarHBondContact O-N 3.15Å
80A92.9Very high77.3Confident67 Ų6798 Ų9855%0.55454%0.539SS*.THydrogen-bonded Turntrans-60.2-22.2-179.300000113.6V77 V78V77-A80 WeakPolarHBondContact O-CB 3.43Å; V77-A80 PolarHBondContact O-N 2.94Å; V78-A80 PolarHBondContact O-N 3.24Å
81R90.4Very high75.4Confident129 Ų129106.6 Ų106.649%0.48757%0.566SS.*THydrogen-bonded Turntrans-105.71.7171.2-6099.1165.2-172.95114C19 R20 A21 D79C19-R81 VanDerWaalsContact CB-NH1 3.35Å; C19-R81 VanDerWaalsContact O-CB 3.22Å; C19-R81 WeakPolarHBondContact O-CB 3.41Å; C19-R81 WeakPolarHBondContact O-CD 3.19Å; C19-R81 PolarHBondContact O-N 2.91Å; C19-R81 VanDerWaalsContact O-N 3.08Å; C19-R81 PolarHBondContact SG-NH1 3.09Å; R20-R81 HydrophobicContact CB-CB 4.49Å; A21-R81 HydrophobicContact CB-CG 4.42Å; D79-R81 PolarHBondContact O-N 2.84Å
82G80.9Confident73.3Confident42 Ų42102.8 Ų102.843%0.43356%0.561SS.*SBendtrans-97.24.7-178.200000114.4D79D79-G82 WeakPolarHBondContact O-CA 3.36Å; D79-G82 PolarHBondContact O-N 3.15Å
83G66.9Low71Confident36 Ų36105.2 Ų105.237%0.37157%0.572SS.*  trans-54.9160.9-168.400000115.4S85G83-S85 PolarHBondContact O-N 3Å
84P61Low68.9Low142 Ų142111.5 Ų111.592%0.92260%0.595SS**THydrogen-bonded Turntrans-59.9-3.4-170.2-23.533000116.7
85S49.2Very low66.7Low114 Ų114116.9 Ų116.980%0.79763%0.625SS**THydrogen-bonded Turntrans-105.913-168.2-1520000115G83 K87G83-S85 PolarHBondContact O-N 3Å; S85-K87 VanDerWaalsContact C-N 3.31Å; S85-K87 PolarHBondContact O-N 3.23Å
86L53.9Low64.7Low134 Ų134122.7 Ų122.770%0.70265%0.647SS**  trans-91.666.6166.5-85.388.5000110.7I88L86-I88 PolarHBondContact O-N 3.42Å; L86-I88 VanDerWaalsContact O-N 3.13Å
87K46.2Very low62Low187 Ų187121 Ų12181%0.81365%0.647SS**  trans-64115.2152.1-56.4-166.1-173.6-175.90106.2S85 T89S85-K87 VanDerWaalsContact C-N 3.31Å; S85-K87 PolarHBondContact O-N 3.23Å; K87-T89 PolarHBondContact O-N 2.83Å
88I50.7Low59.5Low149 Ų149127.5 Ų127.576%0.76468%0.679SS**  trans-58.386.9174.9-64.3161.8000107.7L86 S90L86-I88 PolarHBondContact O-N 3.42Å; L86-I88 VanDerWaalsContact O-N 3.13Å; I88-S90 PolarHBondContact O-N 2.81Å
89T44.9Very low57.2Low128 Ų128131.5 Ų131.579%0.78571%0.709SS**  trans-79.878.4146.2690000104.7K87 R91K87-T89 PolarHBondContact O-N 2.83Å; T89-R91 VanDerWaalsContact C-N 3.33Å; T89-R91 PolarHBondContact O-N 2.96Å
90S45.1Very low54.7Low88 Ų88138.4 Ų138.462%0.61574%0.736SS**  trans-54.3105.6164.944.20000106.3I88 P92I88-S90 PolarHBondContact O-N 2.81Å; S90-P92 WeakPolarHBondContact O-CD 3.4Å; S90-P92 VanDerWaalsContact O-N 3.13Å
91R50.1Low52.8Low233 Ų233145.3 Ų145.388%0.87975%0.754SS**  trans-59.4114.6159.9-68.3-173.7178.3-148.41.2105.2T89 K93T89-R91 VanDerWaalsContact C-N 3.33Å; T89-R91 PolarHBondContact O-N 2.96Å; R91-K93 PolarHBondContact O-N 2.93Å
92P47.4Very low50.6Low121 Ų121143.7 Ų143.779%0.78677%0.768SS**  trans-64.8116.5176.324.9-29.8000107.6S90 K94S90-P92 WeakPolarHBondContact O-CD 3.4Å; S90-P92 VanDerWaalsContact O-N 3.13Å; P92-K94 PolarHBondContact O-N 3.45Å
93K44.9Very low49.5Very low191 Ų191151.3 Ų151.383%0.8378%0.783SS**  trans-56.3126.4163.8-101165.7176169.20106.9R91 I95R91-K93 PolarHBondContact O-N 2.93Å; K93-I95 PolarHBondContact O-N 3.12Å
94K48.8Very low48.8Very low211 Ų211154.9 Ų154.992%0.91780%0.8SS**  trans-48.7103.1169.5-72.1177.2176.9177.30109.3P92P92-K94 PolarHBondContact O-N 3.45Å
95I50.8Low48.5Very low148 Ų148151.2 Ų151.276%0.75978%0.778SS**  trans-88.1114.4159.4-61.7171.5000104.9K93 T97K93-I95 PolarHBondContact O-N 3.12Å; I95-T97 PolarHBondContact O-N 3.18Å
96K52.5Low49Very low202 Ų202152.7 Ų152.788%0.87877%0.772SS**  trans-74.2110.5165.9-77.6-179.9175.1-179.70107.1
97T38.8Very low49.1Very low111 Ų111151.7 Ų151.768%0.68177%0.766SS**  trans-160.9112.6151.2330000111.2I95I95-T97 PolarHBondContact O-N 3.18Å
98I43.7Very low49.6Very low155 Ų155146.1 Ų146.180%0.79575%0.751SS**  trans64.3106.8135.3-64.4155.8000118.7
99S48.3Very low50Low114 Ų114147.6 Ų147.680%0.79775%0.747SS**  trans-5.5116.3152.1-61.10000118
100K41.5Very low50.6Low205 Ų205147 Ų14789%0.89174%0.738SS**  trans-140.4127.1135.1-67.9-167.8-179.4174.20109.9A102K100-A102 PolarHBondContact O-N 2.91Å
101K53.4Low51.2Low212 Ų212148.9 Ų148.992%0.92274%0.737SS**  trans-67.5103.5-176.4-168.6106.9171.1-177.80110.1
102A44.4Very low51.5Low95 Ų95145.7 Ų145.779%0.78573%0.73SS**  trans-98.2129.5168.600000110K100K100-A102 PolarHBondContact O-N 2.91Å
103R56.4Low51.9Low202 Ų202146 Ų14676%0.76272%0.72SS**  trans-70.6140.7-171.1-77.7-163170-163-0.3112.7S105R103-S105 PolarHBondContact O-N 2.81Å; R103-S105 VanDerWaalsContact O-N 3.13Å
104P52.4Low52.5Low111 Ų111143.3 Ų143.372%0.72172%0.715SS**THydrogen-bonded Turntrans-72.61.8-179.126.4-31.9000115.7
105S55.3Low52.7Low65 Ų65141.2 Ų141.246%0.45571%0.706SS.*THydrogen-bonded Turntrans-85.3-9.8-171.660.20000115.8R103R103-S105 PolarHBondContact O-N 2.81Å; R103-S105 VanDerWaalsContact O-N 3.13Å
106Q58.4Low52.5Low144 Ų144144.2 Ų144.267%0.67371%0.707SS**THydrogen-bonded Turntrans-91.2-24175.9-79.1172.4-51.800112.9L110Q106-L110 PolarHBondContact O-N 2.9Å
107I57.1Low52.4Low113 Ų113141.4 Ų141.458%0.57970%0.702SS**Hα-helixtrans-74.2-35.5180-60.9168.7000111.2R109 L110 Q111I107-R109 PolarHBondContact O-N 3.22Å; I107-L110 PolarHBondContact O-N 3.38Å; I107-Q111 PolarHBondContact O-N 3.02Å
108S57.2Low52.8Low70 Ų70143 Ų14349%0.4971%0.706SS.*Hα-helixtrans-70.8-30.3178.375.60000113K112S108-K112 VanDerWaalsContact O-CB 3.3Å; S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 PolarHBondContact O-N 3.05Å
109R58Low53Low181 Ų181140.2 Ų140.268%0.68370%0.701SS**Hα-helixtrans-66.2-45.9174.4-72.2-176.4179.7167.6-0.6110.7I107 Q111 K112 E113I107-R109 PolarHBondContact O-N 3.22Å; R109-Q111 PolarHBondContact O-N 3.13Å; R109-K112 PolarHBondContact O-N 3.17Å; R109-K112 VanDerWaalsContact O-N 3.15Å; R109-E113 PolarHBondContact O-N 3.3Å
110L57.2Low52.8Low114 Ų114142 Ų14260%0.59770%0.701SS**Hα-helixtrans-66.6-37.6177-63.8175.6000112.9Q106 I107 K112 E113 L114Q106-L110 PolarHBondContact O-N 2.9Å; I107-L110 PolarHBondContact O-N 3.38Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 3.42Å; L110-E113 PolarHBondContact O-N 3.16Å; L110-L114 WeakPolarHBondContact O-CD1 3.45Å; L110-L114 PolarHBondContact O-N 2.85Å; L110-L114 VanDerWaalsContact O-N 3.08Å
111Q59.4Low52.8Low128 Ų128136.3 Ų136.360%0.59869%0.693SS**Hα-helixtrans-66.9-29.5172.3-88-171.2-36.900113.5I107 R109 K115I107-Q111 PolarHBondContact O-N 3.02Å; R109-Q111 PolarHBondContact O-N 3.13Å; Q111-K115 WeakPolarHBondContact O-CB 3.48Å; Q111-K115 PolarHBondContact O-N 3.48Å
112K56.4Low52.2Low167 Ų167134.1 Ų134.173%0.72669%0.685SS**Hα-helixtrans-80-32.2178.1-157.1170.5-174.5-179.70111.8S108 R109 L110 R116S108-K112 VanDerWaalsContact O-CB 3.3Å; S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 PolarHBondContact O-N 3.05Å; R109-K112 PolarHBondContact O-N 3.17Å; R109-K112 VanDerWaalsContact O-N 3.15Å; L110-K112 VanDerWaalsContact C-N 3.31Å; L110-K112 PolarHBondContact O-N 3.42Å; K112-R116 PolarHBondContact O-N 2.82Å
113E55.7Low51.7Low126 Ų126135.8 Ų135.859%0.58969%0.691SS**Hα-helixtrans-66.1-45.8171.5-136.282.1-141.500111.5R109 L110 K115 R116R109-E113 PolarHBondContact O-N 3.3Å; L110-E113 PolarHBondContact O-N 3.16Å; E113-K115 PolarHBondContact O-N 2.89Å; E113-R116 PolarHBondContact O-N 2.81Å
114L56Low51.3Low136 Ų136132.1 Ų132.171%0.71269%0.692SS**Hα-helixtrans-70.5-26.1179.2-90142.7000113.9L110L110-L114 WeakPolarHBondContact O-CD1 3.45Å; L110-L114 PolarHBondContact O-N 2.85Å; L110-L114 VanDerWaalsContact O-N 3.08Å
115K53.6Low50.6Low167 Ų167133.2 Ų133.273%0.72670%0.696SS**Hα-helixtrans-77.7-24.9173.6-86-175.3173.3-175.40113.4Q111 E113Q111-K115 WeakPolarHBondContact O-CB 3.48Å; Q111-K115 PolarHBondContact O-N 3.48Å; E113-K115 PolarHBondContact O-N 2.89Å
116R47.7Very low49.7Very low211 Ų211135.5 Ų135.580%0.79671%0.712SS**Hα-helixtrans-83.9-19.4-177.6-161.4170.4167.5165.3-3.4113.2K112 E113K112-R116 PolarHBondContact O-N 2.82Å; E113-R116 PolarHBondContact O-N 2.81Å
117N48.9Very low49Very low143 Ų143133.5 Ų133.577%0.76571%0.714SS**THydrogen-bonded Turntrans-93.58.1179.1-70.3-25.4000114.8
118N48.8Very low48.1Very low144 Ų144133 Ų13377%0.7773%0.726SS**THydrogen-bonded Turntrans-12832.2177.7-162.7-8.8000112.7
119S47.4Very low47.2Very low97 Ų97135 Ų13568%0.67874%0.741SS**  trans-148.974.7169.124.10000109.7
120D43.9Very low47.2Very low150 Ų150132 Ų13280%0.80275%0.745SS**  trans-129.689.7155.5-160.69.9000109.9
121A41.4Very low46.2Very low87 Ų87130.6 Ų130.672%0.71975%0.75SS**SBendtrans-168.279.2149.300000106.7
122H41.2Very low45Very low166 Ų166133.8 Ų133.877%0.76977%0.765SS**  trans41.791.4157.2-57.8-71.8000119
123S33.8Very low44.2Very low130 Ų130131.3 Ų131.391%0.90977%0.768SS**  trans-79.5108.3140.8-68.60000109
124T47.3Very low44.2Very low125 Ų125131.4 Ų131.477%0.76778%0.78SS**  trans-105.6103.3146.351.80000107.3
125T37.1Very low43.1Very low134 Ų134130.5 Ų130.582%0.82279%0.785SS**  trans175.1107.7140.3-103.70000109.6
126S37.1Very low42.2Very low112 Ų112131.4 Ų131.478%0.78379%0.785SS**  trans-86.8148135.6-53.70000104.3
127S43.8Very low42.3Very low103 Ų103125.5 Ų125.572%0.7278%0.776SS**  cis17716029.426.80000107.1
128A39Very low41.8Very low101 Ų101124.2 Ų124.284%0.83577%0.769SS**  trans73.1121.7157.900000120.1
129S37Very low41.7Very low114 Ų114125 Ų12580%0.79777%0.773SS**  trans-77.7177.6155.9-45.90000110.2
130P58.3Low41.5Very low118 Ų118125.2 Ų125.277%0.76677%0.774SS**  cis-142.9179.16.539.8-18.7000117.3
131A37.6Very low41.7Very low84 Ų84125.5 Ų125.569%0.69478%0.775SS**  trans72.1118.9152.300000121.1
132Q33.4Very low42Very low195 Ų195128.4 Ų128.491%0.91178%0.779SS**  164130124.3-88.717168.600110.7
133S39Very low41.8Very low115 Ų115123.4 Ų123.480%0.80477%0.772SS**  trans-66.1176.1161-35.60000110
134P55.7Low42.4Very low127 Ų127123 Ų12383%0.82577%0.769SS**  cis-129.2164.3-4.438.6-21.9000112.8
135S34.4Very low42Very low117 Ų117123 Ų12382%0.81876%0.764SS**  trans-134.9112.8164-165.10000113.1
136Y34.2Very low42.6Very low187 Ų187122.6 Ų122.673%0.73376%0.762SS**  trans-15.9149.6145.7142.2-87.3000118.4N138Y136-N138 PolarHBondContact OH-ND2 2.66Å
137S49Very low43Very low86 Ų86124.5 Ų124.560%0.60176%0.759SS**  trans-47154-178.7-21.20000118.6
138N38.5Very low43.1Very low117 Ų117127.6 Ų127.663%0.62677%0.766SS**  162.1113.9119.8-82.1-61000108.2Y136Y136-N138 PolarHBondContact OH-ND2 2.66Å
139L46.5Very low43Very low161 Ų161127.3 Ų127.384%0.84376%0.758SS**  54.3120.2100.9-121.973.1000112.6
140S43.8Very low43.3Very low100 Ų100128.4 Ų128.470%0.69976%0.762SS**  cis-162.9144.541.3-57.70000109.9
141D48.2Very low42.5Very low156 Ų156126 Ų12683%0.83476%0.759SS**  64.3128.399.8-148-124.1000113
142D46.6Very low42.4Very low149 Ų149126.5 Ų126.580%0.79776%0.757SS**  cis-166.2157.930.2169.744.3000108.2
143G38.8Very low43Very low61 Ų61123.2 Ų123.263%0.62976%0.756SS**  trans137.552.6158.600000120.4
144S44.7Very low43.4Very low122 Ų122128.1 Ų128.185%0.85376%0.757SS**  trans49.587.6151.4-73.20000119.8
145D39.7Very low42.9Very low123 Ų123126.8 Ų126.866%0.65875%0.75SS**  trans-97.9116.5149.4-170.1-82.2000108.6E147D145-E147 PolarHBondContact O-N 3.47Å; D145-E147 WeakPolarHBondContact OD1-CA 3.41Å; D145-E147 WeakPolarHBondContact OD1-CG 3.43Å; D145-E147 PolarHBondContact OD1-N 2.83Å
146T49.5Very low43.8Very low127 Ų127125 Ų12578%0.77974%0.736SS**  trans-88.986.8164.9-52.40000107.9L148T146-L148 PolarHBondContact O-N 3.35Å
147E44.6Very low44.8Very low152 Ų152122.3 Ų122.371%0.7174%0.739SS**  trans-45.4113.7166.9-73.7-85.4120.300110.3D145 S149D145-E147 PolarHBondContact O-N 3.47Å; D145-E147 WeakPolarHBondContact OD1-CA 3.41Å; D145-E147 WeakPolarHBondContact OD1-CG 3.43Å; D145-E147 PolarHBondContact OD1-N 2.83Å; E147-S149 PolarHBondContact O-N 2.78Å
148L47.2Very low45.1Very low168 Ų168122.1 Ų122.188%0.8873%0.727SS**  trans-85.195.7156.6-68.6177.5000107.7T146T146-L148 PolarHBondContact O-N 3.35Å
149S35.8Very low46.3Very low94 Ų94122.1 Ų122.166%0.65774%0.737SS**  trans-19.2134.3164.4-165.30000115.2E147 G151E147-S149 PolarHBondContact O-N 2.78Å; S149-G151 PolarHBondContact O-N 3.02Å
150P44.7Very low47.4Very low137 Ų137121.4 Ų121.489%0.8973%0.727SS**SBendtrans-76.674.4176.433-32.9000109.7
151G40.7Very low48.9Very low67 Ų67117.6 Ų117.669%0.69170%0.699SS**  trans-161.68.8-170.900000117.8S149S149-G151 PolarHBondContact O-N 3.02Å
152S36.4Very low50.5Low95 Ų95114.2 Ų114.266%0.66468%0.681SS**  trans-108.2107.7178.6-1800000112.1R154S152-R154 PolarHBondContact O-N 2.87Å
153S44.7Very low52.1Low127 Ų127112.9 Ų112.989%0.88867%0.673SS**  trans-62.444.9171.651.30000114.8
154R47.7Very low54.1Low218 Ų218114.7 Ų114.782%0.82367%0.672SS**  trans-96.799.5164.2-73.4-171.6173.2-160.2-1.3107.8S152 P156S152-R154 PolarHBondContact O-N 2.87Å; R154-P156 VanDerWaalsContact O-N 3.12Å
155S45.9Very low56.1Low98 Ų98111.5 Ų111.569%0.68564%0.641SS**  trans-34.6118.5161.9165.70000109.4V157S155-V157 PolarHBondContact O-N 3.38Å
156P53.6Low58.5Low81 Ų81107.8 Ų107.853%0.52662%0.618SS.*  trans-60.8119.2174.823.5-29.3000106.3R154 F158 S159R154-P156 VanDerWaalsContact O-N 3.12Å; P156-F158 CarbonylContact O-C 3.54Å; P156-F158 PolarHBondContact O-N 3.46Å; P156-S159 PolarHBondContact O-N 3.21Å
157V54Low60.5Low129 Ų129109.5 Ų109.578%0.78262%0.615SS**SBendtrans-54.7-10.2-179.1175.60000112.1S155S155-V157 PolarHBondContact O-N 3.38Å
158F54.6Low62.8Low82 Ų82110.1 Ų110.136%0.3661%0.611SS.*  trans-132.787.3170.1-65-62.2000112P156 F160 L161P156-F158 CarbonylContact O-C 3.54Å; P156-F158 PolarHBondContact O-N 3.46Å; F158-F160 HydrophobicContact CB-CD1 4.06Å; F158-F160 HydrophobicContact CB-CE1 4.05Å; F158-F160 AromaticContact CD1-CD1 3.59Å; F158-F160 HydrophobicContact CD1-CD1 3.59Å; F158-F160 AromaticContact CD1-CE1 3Å; F158-F160 HydrophobicContact CD1-CE1 3Å; F158-F160 AromaticContact CD1-CZ 3.84Å; F158-F160 HydrophobicContact CD1-CZ 3.84Å; F158-F160 HydrophobicContact CE1-CD1 4.44Å; F158-F160 AromaticContact CE1-CE1 3.52Å; F158-F160 HydrophobicContact CE1-CE1 3.52Å; F158-F160 HydrophobicContact CE1-CZ 4.18Å; F158-F160 HydrophobicContact CG-CD1 4.26Å; F158-F160 AromaticContact CG-CE1 3.8Å; F158-F160 HydrophobicContact CG-CE1 3.8Å; F158-F160 HydrophobicContact CG-CZ 4.37Å; F158-F160 PolarHBondContact O-N 3.22Å; F158-L161 HydrophobicContact CB-CB 4.38Å; F158-L161 HydrophobicContact CB-CD1 4.02Å; F158-L161 HydrophobicContact CB-CG 4.2Å; F158-L161 HydrophobicContact CD2-CD1 4.47Å; F158-L161 HydrophobicContact CG-CD1 4.31Å; F158-L161 PolarHBondContact O-N 2.85Å
159S65.3Low64.8Low118 Ų118106.5 Ų106.583%0.82559%0.589SS**THydrogen-bonded Turntrans-67.9-5.1168.155.10000113.8P156P156-S159 PolarHBondContact O-N 3.21Å
160F69.6Low67.4Low146 Ų146110.8 Ų110.864%0.6460%0.596SS**THydrogen-bonded Turntrans-90-16.517879.5-104.9000113.9F158F158-F160 HydrophobicContact CB-CD1 4.06Å; F158-F160 HydrophobicContact CB-CE1 4.05Å; F158-F160 AromaticContact CD1-CD1 3.59Å; F158-F160 HydrophobicContact CD1-CD1 3.59Å; F158-F160 AromaticContact CD1-CE1 3Å; F158-F160 HydrophobicContact CD1-CE1 3Å; F158-F160 AromaticContact CD1-CZ 3.84Å; F158-F160 HydrophobicContact CD1-CZ 3.84Å; F158-F160 HydrophobicContact CE1-CD1 4.44Å; F158-F160 AromaticContact CE1-CE1 3.52Å; F158-F160 HydrophobicContact CE1-CE1 3.52Å; F158-F160 HydrophobicContact CE1-CZ 4.18Å; F158-F160 HydrophobicContact CG-CD1 4.26Å; F158-F160 AromaticContact CG-CE1 3.8Å; F158-F160 HydrophobicContact CG-CE1 3.8Å; F158-F160 HydrophobicContact CG-CZ 4.37Å; F158-F160 PolarHBondContact O-N 3.22Å
161L74.9Confident69.6Low20 Ų20106.3 Ų106.311%0.10557%0.566CS.*SBendtrans-94.4110.7-179.4-70.5175.9000109.1F158 L163 L185F158-L161 HydrophobicContact CB-CB 4.38Å; F158-L161 HydrophobicContact CB-CD1 4.02Å; F158-L161 HydrophobicContact CB-CG 4.2Å; F158-L161 HydrophobicContact CD2-CD1 4.47Å; F158-L161 HydrophobicContact CG-CD1 4.31Å; F158-L161 PolarHBondContact O-N 2.85Å; L161-L163 PolarHBondContact O-N 3.1Å; L161-L185 HydrophobicContact CD2-CD1 3.91Å
162D81.4Confident71.7Confident84 Ų84109.1 Ų109.145%0.44957%0.573SS.*  trans-68.1103170.4-176.3-4.3000109.7T164 Y165 W166D162-T164 PolarHBondContact O-N 3.24Å; D162-T164 WeakPolarHBondContact OD1-CA 3.48Å; D162-T164 VanDerWaalsContact OD1-CB 3.27Å; D162-T164 WeakPolarHBondContact OD1-CB 3.47Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.22Å; D162-T164 PolarHBondContact OD1-N 3.09Å; D162-T164 PolarHBondContact OD1-OG1 3.34Å; D162-T164 PolarHBondContact OD2-OG1 3.19Å; D162-T164 VanDerWaalsContact OD2-OG1 3.13Å; D162-Y165 PolarHBondContact O-N 3.41Å; D162-Y165 VanDerWaalsContact O-N 3.14Å; D162-W166 PolarHBondContact O-N 2.72Å
163L80.2Confident74.1Confident122 Ų122105.3 Ų105.364%0.63955%0.547SS*.THydrogen-bonded Turntrans-67.6-14.5178.8-59.2179.3000112.8L161L161-L163 PolarHBondContact O-N 3.1Å
164T81Confident76.2Confident98 Ų98100.2 Ų100.260%0.60151%0.514SS*.THydrogen-bonded Turntrans-76.7-28.6173.875.90000111.6D162 R180D162-T164 PolarHBondContact O-N 3.24Å; D162-T164 WeakPolarHBondContact OD1-CA 3.48Å; D162-T164 VanDerWaalsContact OD1-CB 3.27Å; D162-T164 WeakPolarHBondContact OD1-CB 3.47Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.22Å; D162-T164 PolarHBondContact OD1-N 3.09Å; D162-T164 PolarHBondContact OD1-OG1 3.34Å; D162-T164 PolarHBondContact OD2-OG1 3.19Å; D162-T164 VanDerWaalsContact OD2-OG1 3.13Å; T164-R180 PolarHBondContact O-NE 3.06Å; T164-R180 PolarHBondContact O-NH2 3.08Å
165Y87.3Confident78.3Confident55 Ų5591.2 Ų91.222%0.21648%0.482CS..THydrogen-bonded Turntrans-91.5-44.8177-174-94.3000112.2D162 R180 F181 E183D162-Y165 PolarHBondContact O-N 3.41Å; D162-Y165 VanDerWaalsContact O-N 3.14Å; Y165-R180 HydrophobicContact CE2-CB 4.49Å; Y165-F181 HydrophobicContact CE2-CD2 4.25Å; Y165-F181 HydrophobicContact CE2-CE2 4.44Å; Y165-F181 WeakPolarHBondContact OH-CD2 3.37Å; Y165-E183 WeakPolarHBondContact CE1-OE2 3.42Å; Y165-E183 PolarHBondContact OH-OE2 3.06Å
166W90.1Very high80.5Confident46 Ų4687.6 Ų87.617%0.17446%0.455CS..  trans-97.3105.5-175-68.2105.6000111.7D162 E183 L185D162-W166 PolarHBondContact O-N 2.72Å; W166-E183 HydrophobicContact CH2-CB 3.8Å; W166-E183 HydrophobicContact CZ3-CB 4.07Å; W166-L185 HydrophobicContact CE3-CB 4.01Å; W166-L185 HydrophobicContact CH2-CB 4.06Å; W166-L185 HydrophobicContact CZ2-CD1 4.46Å; W166-L185 HydrophobicContact CZ3-CB 3.74Å
167K90.9Very high82.5Confident163 Ų16384.8 Ų84.871%0.70943%0.434SS*.EExtended strand (participates in β ladder)trans-85.4120.1176.2-168.9170.6-176.2173.90110.6Q169 Y177 K178K167-Q169 PolarHBondContact O-N 3.45Å; K167-Y177 CarbonylContact O-C 3.41Å; K167-Y177 WeakPolarHBondContact O-CA 3.46Å; K167-K178 PolarHBondContact N-O 3.29Å; K167-K178 PolarHBondContact O-N 2.79Å
168R91.9Very high84.4Confident165 Ų16583.5 Ų83.562%0.62342%0.418SS*.EExtended strand (participates in β ladder)trans-67128.8174.3-174-179.7177.1-1740.2110.2I175 Y177R168-I175 HydrophobicContact CG-CG2 3.56Å; R168-Y177 HydrophobicContact CB-CD1 4.01Å; R168-Y177 HydrophobicContact CB-CE1 3.85Å; R168-Y177 HydrophobicContact CG-CD1 4.42Å; R168-Y177 HydrophobicContact CG-CE1 3.96Å
169Q90.3Very high86.1Confident91 Ų9179.9 Ų79.943%0.42540%0.404SS..EExtended strand (participates in β ladder)trans-132.1130.5177.9-176.5174.3-20.500110.1K167 V171 I176K167-Q169 PolarHBondContact O-N 3.45Å; Q169-V171 HydrophobicContact CG-CG1 4.48Å; Q169-I176 HydrophobicContact CB-CG1 4.02Å; Q169-I176 PolarHBondContact N-O 2.93Å; Q169-I176 PolarHBondContact O-N 2.95Å; Q169-I176 VanDerWaalsContact O-O 3.12Å
170K90.9Very high87.3Confident185 Ų18582.9 Ų82.980%0.80440%0.397SS*.EExtended strand (participates in β ladder)trans-86.6131.1173.5-168.9178-179.9-176.90109
171V89.8Confident88.2Confident43 Ų4384.4 Ų84.426%0.26140%0.404SS..EExtended strand (participates in β ladder)trans-123.3169.4175.2-63.20000109.4Q169 C173 G174 I176 F191Q169-V171 HydrophobicContact CG-CG1 4.48Å; V171-C173 PolarHBondContact O-N 3.29Å; V171-C173 VanDerWaalsContact O-N 3.08Å; V171-G174 WeakPolarHBondContact CG2-O 3.38Å; V171-G174 PolarHBondContact N-O 2.97Å; V171-G174 PolarHBondContact O-N 3.48Å; V171-G174 VanDerWaalsContact O-N 3.16Å; V171-I176 HydrophobicContact CG1-CD1 3.79Å; V171-I176 HydrophobicContact CG1-CG1 4.03Å; V171-I176 HydrophobicContact CG2-CG2 3.97Å; V171-F191 HydrophobicContact CG2-CD2 4.4Å; V171-F191 HydrophobicContact CG2-CE2 3.88Å
172C85.7Confident88.8Confident125 Ų12585.6 Ų85.685%0.84542%0.421SS*.THydrogen-bonded Turntrans-60-22.1-177.851.30000113.9
173C85.2Confident89.3Confident15 Ų1586.3 Ų86.310%0.10142%0.422CS..THydrogen-bonded Turntrans-109.710.7-175.8-310000111.7V171 F191 K192 C194V171-C173 PolarHBondContact O-N 3.29Å; V171-C173 VanDerWaalsContact O-N 3.08Å; C173-F191 HydrophobicContact CB-CE1 4.38Å; C173-F191 HydrophobicContact CB-CE2 4.01Å; C173-F191 HydrophobicContact CB-CZ 3.84Å; C173-F191 CarbonylContact O-C 3.55Å; C173-F191 WeakPolarHBondContact O-CA 3.39Å; C173-K192 CarbonylContact C-O 3.58Å; C173-K192 WeakPolarHBondContact CA-O 3.08Å; C173-K192 VanDerWaalsContact CB-O 3.26Å; C173-K192 WeakPolarHBondContact CB-O 3.16Å; C173-K192 CarbonylContact O-C 3.54Å; C173-K192 PolarHBondContact O-N 2.48Å; C173-C194 HydrophobicContact CB-CB 3.88Å; C173-C194 WeakPolarHBondContact CB-SG 3.35Å; C173-C194 WeakPolarHBondContact SG-CB 3.39Å; C173-C194 CovalentContact SG-SG 2.06Å; C173-C194 PolarHBondContact SG-SG 3.07Å
174G89.6Confident89.9Confident20 Ų2084.2 Ų84.221%0.20641%0.414CS..EExtended strand (participates in β ladder)trans138.9-148.1175.400000114.7V171 L190V171-G174 WeakPolarHBondContact CG2-O 3.38Å; V171-G174 PolarHBondContact N-O 2.97Å; V171-G174 PolarHBondContact O-N 3.48Å; V171-G174 VanDerWaalsContact O-N 3.16Å; G174-L190 VanDerWaalsContact CA-O 3.26Å; G174-L190 WeakPolarHBondContact CA-O 3.28Å
175I91.8Very high90.4Very high29 Ų2982 Ų8215%0.14940%0.398CS..EExtended strand (participates in β ladder)trans-112.1133.7177.3-62.1151.8000109.1R168 Y177 L190R168-I175 HydrophobicContact CG-CG2 3.56Å; I175-Y177 HydrophobicContact CG2-CE2 4.41Å; I175-L190 HydrophobicContact CB-CB 4.36Å; I175-L190 PolarHBondContact N-O 2.73Å
176I92.9Very high90.6Very high22 Ų2283.3 Ų83.311%0.11341%0.408CS..EExtended strand (participates in β ladder)trans-122.2161.2171.568.1172.3000110Q169 V171 V184 I186 F191Q169-I176 HydrophobicContact CB-CG1 4.02Å; Q169-I176 PolarHBondContact N-O 2.93Å; Q169-I176 PolarHBondContact O-N 2.95Å; Q169-I176 VanDerWaalsContact O-O 3.12Å; V171-I176 HydrophobicContact CG1-CD1 3.79Å; V171-I176 HydrophobicContact CG1-CG1 4.03Å; V171-I176 HydrophobicContact CG2-CG2 3.97Å; I176-V184 HydrophobicContact CB-CG1 4.06Å; I176-V184 HydrophobicContact CD1-CG1 4.1Å; I176-I186 HydrophobicContact CG2-CD1 4.36Å; I176-I186 HydrophobicContact CG2-CG1 4.03Å; I176-F191 HydrophobicContact CG2-CD2 3.84Å; I176-F191 HydrophobicContact CG2-CE2 3.86Å
177Y94.5Very high90.3Very high23 Ų2382.7 Ų82.79%0.0941%0.408CS..EExtended strand (participates in β ladder)trans-117.6121.8172.8-62.2-91000109.1K167 R168 I175 V184 L185K167-Y177 CarbonylContact O-C 3.41Å; K167-Y177 WeakPolarHBondContact O-CA 3.46Å; R168-Y177 HydrophobicContact CB-CD1 4.01Å; R168-Y177 HydrophobicContact CB-CE1 3.85Å; R168-Y177 HydrophobicContact CG-CD1 4.42Å; R168-Y177 HydrophobicContact CG-CE1 3.96Å; I175-Y177 HydrophobicContact CG2-CE2 4.41Å; Y177-V184 CarbonylContact O-C 3.58Å; Y177-V184 WeakPolarHBondContact O-CA 3.4Å; Y177-L185 HydrophobicContact CD2-CD2 3.64Å; Y177-L185 HydrophobicContact CE2-CD2 4.35Å; Y177-L185 HydrophobicContact CG-CD2 4.27Å; Y177-L185 PolarHBondContact N-O 3.14Å; Y177-L185 PolarHBondContact O-N 3.43Å
178K93.8Very high90.1Very high102 Ų10280 Ų8044%0.44341%0.407SS..EExtended strand (participates in β ladder)trans-104.1126-178.9-168.3177.7179.3-179.10110.4K167 E183K167-K178 PolarHBondContact N-O 3.29Å; K167-K178 PolarHBondContact O-N 2.79Å; K178-E183 CarbonylContact C-O 3.57Å; K178-E183 WeakPolarHBondContact CA-O 3.11Å
179G91.8Very high89.8Confident6 Ų679.9 Ų79.96%0.06241%0.413CS..  trans-81.2163.8173.300000112.1F181 G182 E183G179-F181 VanDerWaalsContact C-N 3.25Å; G179-F181 PolarHBondContact O-N 2.85Å; G179-G182 PolarHBondContact O-N 3.26Å; G179-G182 VanDerWaalsContact O-N 3.16Å; G179-E183 PolarHBondContact N-O 2.83Å
180R88.9Confident89.5Confident180 Ų18078.9 Ų78.968%0.67941%0.41SS*.THydrogen-bonded Turntrans-64.6-28.1-178.2-61.4-177.7-173.8173.50.2113.5T164 Y165 G182T164-R180 PolarHBondContact O-NE 3.06Å; T164-R180 PolarHBondContact O-NH2 3.08Å; Y165-R180 HydrophobicContact CE2-CB 4.49Å; R180-G182 VanDerWaalsContact C-N 3.34Å
181F89.7Confident89.4Confident178 Ų17872.5 Ų72.578%0.78138%0.383SS*.THydrogen-bonded Turntrans-94.217.6177.6-61.3-70000113.7Y165 G179 E183Y165-F181 HydrophobicContact CE2-CD2 4.25Å; Y165-F181 HydrophobicContact CE2-CE2 4.44Å; Y165-F181 WeakPolarHBondContact OH-CD2 3.37Å; G179-F181 VanDerWaalsContact C-N 3.25Å; G179-F181 PolarHBondContact O-N 2.85Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.69Å
182G87.1Confident89.1Confident46 Ų4678.3 Ų78.347%0.47440%0.404SS..SBendtrans82.75.1177.200000115.2G179 R180G179-G182 PolarHBondContact O-N 3.26Å; G179-G182 VanDerWaalsContact O-N 3.16Å; R180-G182 VanDerWaalsContact C-N 3.34Å
183E92.6Very high89Confident98 Ų9877 Ų7746%0.45840%0.395SS..  trans-63.8148.2170.6-58.8172.7123.300111.1Y165 W166 K178 G179 F181Y165-E183 WeakPolarHBondContact CE1-OE2 3.42Å; Y165-E183 PolarHBondContact OH-OE2 3.06Å; W166-E183 HydrophobicContact CH2-CB 3.8Å; W166-E183 HydrophobicContact CZ3-CB 4.07Å; K178-E183 CarbonylContact C-O 3.57Å; K178-E183 WeakPolarHBondContact CA-O 3.11Å; G179-E183 PolarHBondContact N-O 2.83Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.69Å
184V92.8Very high88.6Confident78 Ų7878.3 Ų78.347%0.47340%0.403SS..EExtended strand (participates in β ladder)trans-129.4125.2179-176.80000110.1I176 Y177 I186I176-V184 HydrophobicContact CB-CG1 4.06Å; I176-V184 HydrophobicContact CD1-CG1 4.1Å; Y177-V184 CarbonylContact O-C 3.58Å; Y177-V184 WeakPolarHBondContact O-CA 3.4Å; V184-I186 HydrophobicContact CG1-CD1 4.33Å; V184-I186 HydrophobicContact CG1-CG1 3.92Å
185L90.4Very high87.3Confident53 Ų5382.2 Ų82.228%0.27743%0.426SS..EExtended strand (participates in β ladder)trans-107.5128.2173.4-179.2153.6000109.3L161 W166 Y177L161-L185 HydrophobicContact CD2-CD1 3.91Å; W166-L185 HydrophobicContact CE3-CB 4.01Å; W166-L185 HydrophobicContact CH2-CB 4.06Å; W166-L185 HydrophobicContact CZ2-CD1 4.46Å; W166-L185 HydrophobicContact CZ3-CB 3.74Å; Y177-L185 HydrophobicContact CD2-CD2 3.64Å; Y177-L185 HydrophobicContact CE2-CD2 4.35Å; Y177-L185 HydrophobicContact CG-CD2 4.27Å; Y177-L185 PolarHBondContact N-O 3.14Å; Y177-L185 PolarHBondContact O-N 3.43Å
186I91.6Very high85.9Confident82 Ų8290.9 Ų90.942%0.42146%0.457SS..EExtended strand (participates in β ladder)trans-123.2123.3-177.5-54.1-177.6000108I176 V184 P188 F191I176-I186 HydrophobicContact CG2-CD1 4.36Å; I176-I186 HydrophobicContact CG2-CG1 4.03Å; V184-I186 HydrophobicContact CG1-CD1 4.33Å; V184-I186 HydrophobicContact CG1-CG1 3.92Å; I186-P188 WeakPolarHBondContact O-CD 3.43Å; I186-F191 HydrophobicContact CG2-CB 3.33Å; I186-F191 HydrophobicContact CG2-CD1 3.98Å; I186-F191 HydrophobicContact CG2-CD2 3.86Å; I186-F191 HydrophobicContact CG2-CG 3.45Å; I186-F191 VanDerWaalsContact CG2-CG 3.45Å
187D85.1Confident84.3Confident33 Ų3394.6 Ų94.618%0.17648%0.477CS..EExtended strand (participates in β ladder)trans-86.2117.3167-177.3-14.7000108.3H189 L190 F191D187-H189 PolarHBondContact O-N 3.21Å; D187-H189 VanDerWaalsContact O-N 3.09Å; D187-H189 WeakPolarHBondContact OD1-CB 3.12Å; D187-H189 IonicContact OD1-CG 3.47Å; D187-H189 PolarHBondContact OD1-N 2.99Å; D187-H189 IonicContact OD1-ND1 2.66Å; D187-H189 PolarHBondContact OD1-ND1 3.1Å; D187-L190 HydrophobicContact CB-CB 4.18Å; D187-L190 HydrophobicContact CB-CD1 4.09Å; D187-L190 HydrophobicContact CB-CG 4.1Å; D187-L190 PolarHBondContact O-N 3.49Å; D187-F191 WeakPolarHBondContact O-CB 3.49Å; D187-F191 PolarHBondContact O-N 2.81Å; D187-F191 VanDerWaalsContact O-N 3.09Å
188P86.4Confident82.7Confident105 Ų10599.9 Ų99.968%0.68250%0.5SS*.EExtended strand (participates in β ladder)trans-55-26.4178.2-25.735.2000114.1I186 L190I186-P188 WeakPolarHBondContact O-CD 3.43Å; P188-L190 VanDerWaalsContact C-N 3.34Å
189H85.6Confident81Confident164 Ų164100.7 Ų100.776%0.75951%0.506SS*.EExtended strand (participates in β ladder)trans-75.4-25.9177.7-55.9127.6000112.9D187D187-H189 PolarHBondContact O-N 3.21Å; D187-H189 VanDerWaalsContact O-N 3.09Å; D187-H189 WeakPolarHBondContact OD1-CB 3.12Å; D187-H189 IonicContact OD1-CG 3.47Å; D187-H189 PolarHBondContact OD1-N 2.99Å; D187-H189 IonicContact OD1-ND1 2.66Å; D187-H189 PolarHBondContact OD1-ND1 3.1Å
190L83.7Confident79.8Confident69 Ų69108.3 Ų108.336%0.36153%0.533SS..EExtended strand (participates in β ladder)trans-102-1.4-177.8-56.6179.1000112.6G174 I175 D187 P188G174-L190 VanDerWaalsContact CA-O 3.26Å; G174-L190 WeakPolarHBondContact CA-O 3.28Å; I175-L190 HydrophobicContact CB-CB 4.36Å; I175-L190 PolarHBondContact N-O 2.73Å; D187-L190 HydrophobicContact CB-CB 4.18Å; D187-L190 HydrophobicContact CB-CD1 4.09Å; D187-L190 HydrophobicContact CB-CG 4.1Å; D187-L190 PolarHBondContact O-N 3.49Å; P188-L190 VanDerWaalsContact C-N 3.34Å
191F87.7Confident78.7Confident51 Ų51105.5 Ų105.522%0.22453%0.528CS..EExtended strand (participates in β ladder)trans-125.6114.1-177.5-167.8-91000111V171 C173 I176 I186 D187 P193V171-F191 HydrophobicContact CG2-CD2 4.4Å; V171-F191 HydrophobicContact CG2-CE2 3.88Å; C173-F191 HydrophobicContact CB-CE1 4.38Å; C173-F191 HydrophobicContact CB-CE2 4.01Å; C173-F191 HydrophobicContact CB-CZ 3.84Å; C173-F191 CarbonylContact O-C 3.55Å; C173-F191 WeakPolarHBondContact O-CA 3.39Å; I176-F191 HydrophobicContact CG2-CD2 3.84Å; I176-F191 HydrophobicContact CG2-CE2 3.86Å; I186-F191 HydrophobicContact CG2-CB 3.33Å; I186-F191 HydrophobicContact CG2-CD1 3.98Å; I186-F191 HydrophobicContact CG2-CD2 3.86Å; I186-F191 HydrophobicContact CG2-CG 3.45Å; I186-F191 VanDerWaalsContact CG2-CG 3.45Å; D187-F191 WeakPolarHBondContact O-CB 3.49Å; D187-F191 PolarHBondContact O-N 2.81Å; D187-F191 VanDerWaalsContact O-N 3.09Å; F191-P193 HydrophobicContact CD1-CG 4.33Å; F191-P193 HydrophobicContact CE1-CG 4.22Å
192K85.3Confident77.5Confident165 Ų165101.5 Ų101.572%0.71751%0.511SS*.  trans-111.9106.3177.1-67.5-176.6-179.3-1800108.5C173 C194C173-K192 CarbonylContact C-O 3.58Å; C173-K192 WeakPolarHBondContact CA-O 3.08Å; C173-K192 VanDerWaalsContact CB-O 3.26Å; C173-K192 WeakPolarHBondContact CB-O 3.16Å; C173-K192 CarbonylContact O-C 3.54Å; C173-K192 PolarHBondContact O-N 2.48Å; K192-C194 PolarHBondContact O-N 3.32Å; K192-C194 VanDerWaalsContact O-N 3.1Å
193P81.8Confident76.8Confident99 Ų99105.1 Ų105.164%0.64352%0.516SS*.  trans-51.8120.8177.9-25.633.7000110.9F191F191-P193 HydrophobicContact CD1-CG 4.33Å; F191-P193 HydrophobicContact CE1-CG 4.22Å
194C78.7Confident75.8Confident41 Ų41105.3 Ų105.328%0.27752%0.517SS..  trans-66.3142.2178.137.30000110.4C173 K192 R196 N197C173-C194 HydrophobicContact CB-CB 3.88Å; C173-C194 WeakPolarHBondContact CB-SG 3.35Å; C173-C194 WeakPolarHBondContact SG-CB 3.39Å; C173-C194 CovalentContact SG-SG 2.06Å; C173-C194 PolarHBondContact SG-SG 3.07Å; K192-C194 PolarHBondContact O-N 3.32Å; K192-C194 VanDerWaalsContact O-N 3.1Å; C194-R196 PolarHBondContact O-N 3.31Å; C194-N197 PolarHBondContact O-N 3.32Å
195C60.9Low74.9Confident102 Ų102106.9 Ų106.969%0.68952%0.519SS*.THydrogen-bonded Turntrans-59-14.8-170.7-57.20000115.4N197 K198 Q199C195-N197 VanDerWaalsContact C-N 3.27Å; C195-N197 PolarHBondContact O-N 2.83Å; C195-K198 WeakPolarHBondContact O-CB 3.31Å; C195-K198 PolarHBondContact O-N 2.79Å; C195-K198 VanDerWaalsContact O-N 3.1Å; C195-Q199 PolarHBondContact O-N 2.62Å
196R62.3Low74.2Confident212 Ų212109.9 Ų109.980%0.853%0.531SS*.Hα-helixtrans-65.9-27.1179.5-153.8167.3-177.9-175.7-1.1113.2C194C194-R196 PolarHBondContact O-N 3.31Å
197N60Low73.6Confident99 Ų99111.7 Ų111.753%0.52954%0.538SS..Hα-helixtrans-79.6-23.6173.4-74.6-8.1000112.9C194 C195 Q201C194-N197 PolarHBondContact O-N 3.32Å; C195-N197 VanDerWaalsContact C-N 3.27Å; C195-N197 PolarHBondContact O-N 2.83Å; N197-Q201 PolarHBondContact O-N 2.78Å
198K60.2Low73.3Confident134 Ų134115.7 Ų115.758%0.58356%0.556SS**Hα-helixtrans-74.8-36.5177.8-163.3175.8-179.1-177.10111.6C195 Q201 Q202C195-K198 WeakPolarHBondContact O-CB 3.31Å; C195-K198 PolarHBondContact O-N 2.79Å; C195-K198 VanDerWaalsContact O-N 3.1Å; K198-Q201 PolarHBondContact O-N 3.05Å; K198-Q202 WeakPolarHBondContact O-CG 3.44Å; K198-Q202 PolarHBondContact O-N 3.15Å
199Q58.9Low72.9Confident120 Ų120116.1 Ų116.156%0.56155%0.548SS*.Hα-helixtrans-62.5-41.5173.2-72.7176.5-22.200112.1C195 Q201 Q202 Q203C195-Q199 PolarHBondContact O-N 2.62Å; Q199-Q201 PolarHBondContact O-N 3.46Å; Q199-Q202 PolarHBondContact O-N 2.93Å; Q199-Q203 PolarHBondContact O-N 2.8Å
200R65.8Low72.6Confident165 Ų165113.9 Ų113.962%0.62354%0.538SS*.Hα-helixtrans-68.2-34.7178.9-144.7177.790.1-176.59113Q204R200-Q204 WeakPolarHBondContact O-CG 3.46Å; R200-Q204 PolarHBondContact O-N 3.42Å
201Q65.6Low72.6Confident122 Ų122116.1 Ų116.157%0.5755%0.547SS*.Hα-helixtrans-70.1-36.1172.6-82.6-179-8.800112.6N197 K198 Q199 Q205N197-Q201 PolarHBondContact O-N 2.78Å; K198-Q201 PolarHBondContact O-N 3.05Å; Q199-Q201 PolarHBondContact O-N 3.46Å; Q201-Q205 WeakPolarHBondContact O-CG 3.27Å; Q201-Q205 PolarHBondContact O-N 3.3Å; Q201-Q205 VanDerWaalsContact O-N 3.16Å
202Q66.1Low72.2Confident94 Ų94119.8 Ų119.844%0.43957%0.565SS.*Hα-helixtrans-69-39.1176.7-76.3174.9-16.900112.4K198 Q199 Q205 Q206K198-Q202 WeakPolarHBondContact O-CG 3.44Å; K198-Q202 PolarHBondContact O-N 3.15Å; Q199-Q202 PolarHBondContact O-N 2.93Å; Q202-Q205 PolarHBondContact O-N 2.62Å; Q202-Q206 WeakPolarHBondContact O-CG 3.32Å; Q202-Q206 PolarHBondContact O-N 3.27Å
203Q70.4Confident72.1Confident122 Ų122117.9 Ų117.957%0.5756%0.559SS**Hα-helixtrans-63.4-40.1174.7-78.1175.6-9.900112.5Q199 Q205 Q206 Q207Q199-Q203 PolarHBondContact O-N 2.8Å; Q203-Q205 VanDerWaalsContact C-N 3.33Å; Q203-Q205 PolarHBondContact O-N 3.25Å; Q203-Q206 PolarHBondContact O-N 3.08Å; Q203-Q207 PolarHBondContact O-N 3.3Å
204Q72.9Confident72.2Confident102 Ų102119.3 Ų119.348%0.47756%0.557SS.*Hα-helixtrans-66.6-34.8176.5-73.2177.8-8.700112.6R200 Q208R200-Q204 WeakPolarHBondContact O-CG 3.46Å; R200-Q204 PolarHBondContact O-N 3.42Å; Q204-Q208 WeakPolarHBondContact O-CG 3.2Å; Q204-Q208 PolarHBondContact O-N 2.79Å
205Q73.1Confident72.3Confident111 Ų111122.1 Ų122.152%0.51957%0.569SS.*Hα-helixtrans-72-34.7175.4-74.3173.68.100112.5Q201 Q202 Q203 Q209Q201-Q205 WeakPolarHBondContact O-CG 3.27Å; Q201-Q205 PolarHBondContact O-N 3.3Å; Q201-Q205 VanDerWaalsContact O-N 3.16Å; Q202-Q205 PolarHBondContact O-N 2.62Å; Q203-Q205 VanDerWaalsContact C-N 3.33Å; Q203-Q205 PolarHBondContact O-N 3.25Å; Q205-Q209 WeakPolarHBondContact O-CG 3.39Å; Q205-Q209 PolarHBondContact O-N 3.13Å; Q205-Q209 VanDerWaalsContact O-N 3.14Å
206Q77.1Confident73.3Confident115 Ų115123.6 Ų123.654%0.53757%0.566SS.*Hα-helixtrans-70.7-38.4175.7-75.4174.1-0.700112.1Q202 Q203 Q209 Q210Q202-Q206 WeakPolarHBondContact O-CG 3.32Å; Q202-Q206 PolarHBondContact O-N 3.27Å; Q203-Q206 PolarHBondContact O-N 3.08Å; Q206-Q209 PolarHBondContact O-N 2.83Å; Q206-Q210 WeakPolarHBondContact O-CG 2.99Å; Q206-Q210 PolarHBondContact O-N 2.97Å
207Q78.4Confident74.3Confident120 Ų120119.8 Ų119.856%0.56156%0.557SS**Hα-helixtrans-63.7-42.3173.9-83.2177.3-21.600112.3Q203 Q209 Q210 E211Q203-Q207 PolarHBondContact O-N 3.3Å; Q207-Q209 VanDerWaalsContact C-N 3.31Å; Q207-Q209 PolarHBondContact O-N 3.31Å; Q207-Q210 PolarHBondContact O-N 2.91Å; Q207-E211 WeakPolarHBondContact O-CG 3.14Å; Q207-E211 PolarHBondContact O-N 2.89Å
208Q78.8Confident75.3Confident118 Ų118121.3 Ų121.355%0.55156%0.561SS**Hα-helixtrans-65-35176.2-76.8177-8.800112.9Q204 E212Q204-Q208 WeakPolarHBondContact O-CG 3.2Å; Q204-Q208 PolarHBondContact O-N 2.79Å; Q208-E212 WeakPolarHBondContact O-CB 3.32Å; Q208-E212 WeakPolarHBondContact O-CG 3.39Å; Q208-E212 PolarHBondContact O-N 3.47Å
209Q77.5Confident76.2Confident113 Ų113121.1 Ų121.153%0.52856%0.562SS.*Hα-helixtrans-70.8-34.6175.4-76.9172.93.200112.3Q205 Q206 Q207 E213Q205-Q209 WeakPolarHBondContact O-CG 3.39Å; Q205-Q209 PolarHBondContact O-N 3.13Å; Q205-Q209 VanDerWaalsContact O-N 3.14Å; Q206-Q209 PolarHBondContact O-N 2.83Å; Q207-Q209 VanDerWaalsContact C-N 3.31Å; Q207-Q209 PolarHBondContact O-N 3.31Å; Q209-E213 WeakPolarHBondContact O-CB 3.48Å; Q209-E213 WeakPolarHBondContact O-CG 3.25Å; Q209-E213 PolarHBondContact O-N 2.99Å
210Q79.6Confident77.1Confident117 Ų117122.1 Ų122.155%0.54757%0.567SS.*Hα-helixtrans-70.4-39.7174.7-75.7177-14.700111.9Q206 Q207 E213 E214Q206-Q210 WeakPolarHBondContact O-CG 2.99Å; Q206-Q210 PolarHBondContact O-N 2.97Å; Q207-Q210 PolarHBondContact O-N 2.91Å; Q210-E213 PolarHBondContact O-N 2.86Å; Q210-E214 WeakPolarHBondContact O-CB 3.21Å; Q210-E214 WeakPolarHBondContact O-CG 3.32Å; Q210-E214 PolarHBondContact O-N 3.46Å
211E82.5Confident77.7Confident117 Ų117120.7 Ų120.755%0.54757%0.567SS.*Hα-helixtrans-64-40.8173-74.2171.1176.200111.2Q207 E214 D215Q207-E211 WeakPolarHBondContact O-CG 3.14Å; Q207-E211 PolarHBondContact O-N 2.89Å; E211-E214 PolarHBondContact O-N 3.17Å; E211-D215 WeakPolarHBondContact O-CB 3.22Å; E211-D215 PolarHBondContact O-N 2.89Å
212E80.1Confident78.1Confident128 Ų128121.7 Ų121.760%0.59857%0.572SS**Hα-helixtrans-66.9-35.9174.9-77.1176.7175.900112.7Q208 E216Q208-E212 WeakPolarHBondContact O-CB 3.32Å; Q208-E212 WeakPolarHBondContact O-CG 3.39Å; Q208-E212 PolarHBondContact O-N 3.47Å; E212-E216 WeakPolarHBondContact O-CG 3.47Å; E212-E216 PolarHBondContact O-N 2.78Å; E212-E216 VanDerWaalsContact O-N 3.1Å
213E82.4Confident78.3Confident125 Ų125124 Ų12458%0.58458%0.582SS**Hα-helixtrans-71.8-38.7175.5-77.7177.5176.200111.9Q209 Q210 E216 E217Q209-E213 WeakPolarHBondContact O-CB 3.48Å; Q209-E213 WeakPolarHBondContact O-CG 3.25Å; Q209-E213 PolarHBondContact O-N 2.99Å; Q210-E213 PolarHBondContact O-N 2.86Å; E213-E216 PolarHBondContact O-N 3.29Å; E213-E217 WeakPolarHBondContact O-CG 3.05Å; E213-E217 PolarHBondContact O-N 3.14Å
214E83.9Confident78.4Confident128 Ų128124.5 Ų124.560%0.59859%0.585SS**Hα-helixtrans-66.1-40.9174-78.8-179.5169.800111.6Q210 E211 E217 E218Q210-E214 WeakPolarHBondContact O-CB 3.21Å; Q210-E214 WeakPolarHBondContact O-CG 3.32Å; Q210-E214 PolarHBondContact O-N 3.46Å; E211-E214 PolarHBondContact O-N 3.17Å; E214-E217 PolarHBondContact O-N 3.13Å; E214-E218 PolarHBondContact O-N 3.36Å
215D80.8Confident78.2Confident101 Ų101126.7 Ų126.754%0.5460%0.595SS.*Hα-helixtrans-64.3-38.5175.1-78-22.1000111.6E211 E219E211-D215 WeakPolarHBondContact O-CB 3.22Å; E211-D215 PolarHBondContact O-N 2.89Å; D215-E219 WeakPolarHBondContact O-CG 3.26Å; D215-E219 PolarHBondContact O-N 2.95Å; D215-E219 VanDerWaalsContact O-N 3.1Å
216E81.9Confident77.9Confident133 Ų133125.9 Ų125.962%0.62160%0.598SS**Hα-helixtrans-68.1-38.6175.6-79.1-17317300112.1E212 E213 E219 E220E212-E216 WeakPolarHBondContact O-CG 3.47Å; E212-E216 PolarHBondContact O-N 2.78Å; E212-E216 VanDerWaalsContact O-N 3.1Å; E213-E216 PolarHBondContact O-N 3.29Å; E216-E219 PolarHBondContact O-N 3.07Å; E216-E220 WeakPolarHBondContact O-CG 3.14Å; E216-E220 PolarHBondContact O-N 2.47Å
217E83.4Confident77.1Confident131 Ų131127.9 Ų127.961%0.61261%0.607SS**Hα-helixtrans-67.6-39.1175.8-75-176.1178.500112.1E213 E214 E220 E221E213-E217 WeakPolarHBondContact O-CG 3.05Å; E213-E217 PolarHBondContact O-N 3.14Å; E214-E217 PolarHBondContact O-N 3.13Å; E217-E220 PolarHBondContact O-N 2.94Å; E217-E221 PolarHBondContact O-N 3.28Å
218E81.8Confident76.2Confident132 Ų132126.6 Ų126.662%0.61761%0.607SS**Hα-helixtrans-65.3-38.3174.4-75.5-169.4177.200112.1E214 E221 E222E214-E218 PolarHBondContact O-N 3.36Å; E218-E221 PolarHBondContact O-N 3.03Å; E218-E222 PolarHBondContact O-N 3.3Å
219E79.4Confident75.2Confident130 Ų130128.7 Ų128.761%0.60762%0.617SS**Hα-helixtrans-65.7-39.8174.5-75.6-172.2176.400112D215 E216 E222 E223D215-E219 WeakPolarHBondContact O-CG 3.26Å; D215-E219 PolarHBondContact O-N 2.95Å; D215-E219 VanDerWaalsContact O-N 3.1Å; E216-E219 PolarHBondContact O-N 3.07Å; E219-E222 PolarHBondContact O-N 3.34Å; E219-E223 WeakPolarHBondContact O-CG 3.17Å; E219-E223 PolarHBondContact O-N 3.08Å
220E77.6Confident74.1Confident140 Ų140131.1 Ų131.165%0.65463%0.628SS**Hα-helixtrans-66.6-38.9176-74.3-169.8174.500112.4E216 E217 E223 E224E216-E220 WeakPolarHBondContact O-CG 3.14Å; E216-E220 PolarHBondContact O-N 2.47Å; E217-E220 PolarHBondContact O-N 2.94Å; E220-E223 PolarHBondContact O-N 3.45Å; E220-E224 PolarHBondContact O-N 3.47Å
221E77.7Confident72.8Confident136 Ų136128.5 Ų128.564%0.63663%0.633SS**Hα-helixtrans-66.8-40.5175.1-74.1-168.6169.400112.2E217 E218 E224 E225E217-E221 PolarHBondContact O-N 3.28Å; E218-E221 PolarHBondContact O-N 3.03Å; E221-E224 PolarHBondContact O-N 2.79Å; E221-E225 WeakPolarHBondContact O-CG 3.48Å; E221-E225 PolarHBondContact O-N 3.06Å
222E75Confident71.3Confident142 Ų142130.8 Ų130.866%0.66464%0.643SS**Hα-helixtrans-63.4-39.2174.2-81.1-161.816100112.1E218 E219 V226E218-E222 PolarHBondContact O-N 3.3Å; E219-E222 PolarHBondContact O-N 3.34Å; E222-V226 VanDerWaalsContact O-CG2 3.22Å; E222-V226 WeakPolarHBondContact O-CG2 3.48Å; E222-V226 PolarHBondContact O-N 3.15Å
223E71Confident69.8Low142 Ų142131.1 Ų131.166%0.66465%0.654SS**Hα-helixtrans-66.1-40.2176.5-73.4-168.6174.300112.2E219 E220 V226 E227E219-E223 WeakPolarHBondContact O-CG 3.17Å; E219-E223 PolarHBondContact O-N 3.08Å; E220-E223 PolarHBondContact O-N 3.45Å; E223-V226 PolarHBondContact O-N 3.49Å; E223-E227 PolarHBondContact O-N 2.95Å; E223-E227 VanDerWaalsContact O-N 3.13Å
224E72.1Confident68.2Low133 Ų133128.3 Ų128.362%0.62166%0.658SS**Hα-helixtrans-67.6-39.1177.3-161.8178.5-179.200111.7E220 E221 V226 E227 V228E220-E224 PolarHBondContact O-N 3.47Å; E221-E224 PolarHBondContact O-N 2.79Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3Å; E224-E227 PolarHBondContact O-N 3.24Å; E224-V228 VanDerWaalsContact O-CG2 3.3Å; E224-V228 WeakPolarHBondContact O-CG2 3.3Å; E224-V228 PolarHBondContact O-N 3.46Å
225E68.5Low66.5Low148 Ų148128.7 Ų128.769%0.69267%0.669SS**Hα-helixtrans-63-37.1174.8-75.1-163.6162.100112.7E221 V228 E229E221-E225 WeakPolarHBondContact O-CG 3.48Å; E221-E225 PolarHBondContact O-N 3.06Å; E225-V228 PolarHBondContact O-N 3.3Å; E225-E229 PolarHBondContact O-N 3.44Å
226V65.5Low64.5Low95 Ų95131.4 Ų131.458%0.57668%0.684SS**Hα-helixtrans-70.7-37.2177.9176.40000111.8E222 E223 E224 V228 E229 E230E222-V226 VanDerWaalsContact O-CG2 3.22Å; E222-V226 WeakPolarHBondContact O-CG2 3.48Å; E222-V226 PolarHBondContact O-N 3.15Å; E223-V226 PolarHBondContact O-N 3.49Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3Å; V226-V228 VanDerWaalsContact C-N 3.32Å; V226-V228 PolarHBondContact O-N 3.5Å; V226-E229 PolarHBondContact O-N 3.44Å; V226-E230 PolarHBondContact O-N 3.39Å
227E61.3Low62.5Low156 Ų156134.9 Ų134.973%0.72970%0.697SS**Hα-helixtrans-66.4-32.6174.9-75.6-162.4150.500112.6E223 E224 G231E223-E227 PolarHBondContact O-N 2.95Å; E223-E227 VanDerWaalsContact O-N 3.13Å; E224-E227 PolarHBondContact O-N 3.24Å; E227-G231 PolarHBondContact O-N 3Å
228V59.3Low60.4Low93 Ų93134.3 Ų134.356%0.56471%0.708SS**Hα-helixtrans-72.7-35.5178.2176.50000112E224 E225 V226E224-V228 VanDerWaalsContact O-CG2 3.3Å; E224-V228 WeakPolarHBondContact O-CG2 3.3Å; E224-V228 PolarHBondContact O-N 3.46Å; E225-V228 PolarHBondContact O-N 3.3Å; V226-V228 VanDerWaalsContact C-N 3.32Å; V226-V228 PolarHBondContact O-N 3.5Å
229E57.2Low58.2Low163 Ų163136.6 Ų136.676%0.76272%0.718SS**Hα-helixtrans-68.2-38.6174.4-94.3-139.8139.500113E225 V226 G231 Q232E225-E229 PolarHBondContact O-N 3.44Å; V226-E229 PolarHBondContact O-N 3.44Å; E229-G231 VanDerWaalsContact C-N 3.29Å; E229-G231 PolarHBondContact O-N 2.89Å; E229-Q232 PolarHBondContact O-N 3.13Å
230E55.8Low56.3Low163 Ų163135.7 Ų135.776%0.76272%0.721SS**Hα-helixtrans-69.2-25.7178.4-75.3-15514100113.1V226 Q232V226-E230 PolarHBondContact O-N 3.39Å; E230-Q232 VanDerWaalsContact C-N 3.32Å; E230-Q232 PolarHBondContact O-N 3.23Å
231G52.5Low54.3Low62 Ų62137.9 Ų137.964%0.63973%0.731SS**G310 helixtrans-72-17.8178.100000115.3E227 E229E227-G231 PolarHBondContact O-N 3Å; E229-G231 VanDerWaalsContact C-N 3.29Å; E229-G231 PolarHBondContact O-N 2.89Å
232Q50.3Low52.5Low165 Ų165139.3 Ų139.377%0.77174%0.738SS**G310 helixtrans-95.5-1.9-170.3-154.4159.8-12.200114.6E229 E230E229-Q232 PolarHBondContact O-N 3.13Å; E230-Q232 VanDerWaalsContact C-N 3.32Å; E230-Q232 PolarHBondContact O-N 3.23Å
233V48.3Very low50.9Low135 Ų135140.4 Ų140.482%0.81874%0.743SS**G310 helixtrans-91.5-1.1179.8-169.90000113
234G49.5Very low49.1Very low66 Ų66139 Ų13968%0.6874%0.744SS**SBendtrans-95.6-6.4-167.200000119.1
235V47.1Very low47.2Very low136 Ų136138.3 Ų138.382%0.82475%0.749SS**  trans-142.584.4-170.8-171.40000112.3
236D40.2Very low45.5Very low159 Ų159139.3 Ų139.385%0.8575%0.751SS**  trans-165.892.7147.1-130.8-62.8000112.4
237K39.9Very low43.8Very low205 Ų205142 Ų14289%0.89176%0.757SS**  trans175.489.1139.7-105.8175.9173.2170.50111.8
238S39Very low42.7Very low120 Ų120142.9 Ų142.984%0.83976%0.763SS**  trans-137.193.9149.448.50000107.8
239H35.5Very low42Very low179 Ų179143.6 Ų143.683%0.82977%0.77SS**  trans-108.1121.7164.6-157.9-150.3000108.8
240V39Very low40.9Very low112 Ų112142.1 Ų142.168%0.67977%0.772SS**  trans-71.4132.8178.7173.60000109.4
241E35.3Very low39.6Very low186 Ų186137.5 Ų137.587%0.86977%0.768SS**  trans-138.1111.9148.9-69.2-168.4162.100109.1
242E41.1Very low38.7Very low166 Ų166144 Ų14478%0.77678%0.782SS**  trans-102.1125.1167.9-173.2-176.3163.600106.5
243E39.6Very low38Very low164 Ų164144 Ų14477%0.76678%0.782SS**  168.4120.2129.5-86-131140.900113.2
244V34.2Very low37.3Very low113 Ų113144.1 Ų144.169%0.68578%0.778SS**  60.3119.8129.1-164.80000119.3
245V31.7Very low36.5Very low119 Ų119145.7 Ų145.772%0.72178%0.784SS**  160.2111.2114.91700000111.6
246K32.4Very low36.1Very low168 Ų168147.8 Ų147.873%0.7379%0.785SS**  trans64.8132.3140.8-81.1178.6158.5-141.50124.5
247E31.1Very low37Very low153 Ų153145 Ų14572%0.71578%0.776SS**  trans91.9108.8133.1-74.4174.5-154.300119.1
248M37.2Very low36.8Very low173 Ų173139.5 Ų139.585%0.85277%0.769SS**  trans-75.5150.6142.4-67.1173.161.900108.3
249P44.8Very low36.9Very low108 Ų108141.6 Ų141.670%0.70177%0.765SS**  -149.1149.494.836.3-17.4000116.7
250T33.8Very low37.1Very low132 Ų132139.7 Ų139.781%0.8176%0.76SS**  trans25.1144.4141.159.60000124.2
251G28.7Very low36.9Very low67 Ų67140 Ų14069%0.69177%0.766SS**  trans126.596.7145.300000113.3
252E34.3Very low37Very low198 Ų198136.8 Ų136.893%0.92576%0.759SS**  68.4128.389.6-81.7-170.5128.400116.9
253E36.1Very low36.7Very low166 Ų166135.2 Ų135.278%0.77676%0.761SS**  trans100.9115.5145.4-116.4-158.179.500123.1
254N33.5Very low36.7Very low137 Ų137131.7 Ų131.773%0.73376%0.76SS**  trans59119.5137.3-82.3-38.6000122.1
255A33Very low38.1Very low98 Ų98131.8 Ų131.881%0.8176%0.763SS**  171121.199.100000112.3
256E38.3Very low39.1Very low180 Ų180132.2 Ų132.284%0.84177%0.768SS**  trans-67.6-178.8154.4-129.8-163.5105.400109.7
257P58.2Low39.5Very low101 Ų101128.6 Ų128.666%0.65677%0.769SS**  cis-140.5172-8.240.2-22.8000115.9
258A36.7Very low40.1Very low89 Ų89132.5 Ų132.574%0.73678%0.778SS**  trans-172.8105.613200000112.6
259E41.4Very low40.2Very low165 Ų165129.5 Ų129.577%0.77177%0.773SS**  60.7109.8127.8-54.5-150.1119.800119.8
260L38.4Very low40.1Very low139 Ų139127.9 Ų127.973%0.72878%0.776SS**  80.2126.9102.1-76.7163.9000113.4
261C34.9Very low40.5Very low118 Ų118130.8 Ų130.880%0.79778%0.781SS**  cis-154.4147.841.3-76.20000114.3
262V37.2Very low41.2Very low118 Ų118133.4 Ų133.472%0.71578%0.783SS**  trans-45144.9157.9-149.40000111.6
263T34.6Very low41.6Very low133 Ų133131.3 Ų131.382%0.81678%0.775SS**  176.2144.576.315.80000111.2
264A40.5Very low42.1Very low90 Ų90130 Ų13074%0.74477%0.769SS**  trans-95-162.9167.700000111
265P63.2Low42.7Very low116 Ų116131.6 Ų131.675%0.75377%0.772SS**  -98.1-166.8-115.540.9-22.4000112.6
266P53.3Low43.3Very low127 Ų127130 Ų13083%0.82577%0.765SS**  -157.9179.683.538.8-15.8000117.3
267A41.4Very low43.8Very low92 Ų92137.6 Ų137.676%0.7679%0.787SS**  trans-59.3160.9177.200000117.9
268R42.3Very low43.1Very low236 Ų236139.5 Ų139.589%0.89179%0.793SS**  trans168.3120.1137.9-106.3-176.8151.7-173-7.5110.7
269S39.7Very low43.4Very low109 Ų109142.1 Ų142.176%0.76280%0.796SS**  89.4139.284.371.80000115.5
270G42Very low43.5Very low74 Ų74140.8 Ų140.876%0.76380%0.798SS**  trans123.399.1169.400000110.4
271E42.2Very low43.8Very low194 Ų194140.9 Ų140.991%0.90780%0.802SS**  62.4139.252.5-120.9-170.315200114.5
272V44.4Very low44.4Very low121 Ų121142.4 Ų142.473%0.73380%0.802SS**  trans101.7105.2164.6-170.20000117.7
273M42.8Very low44.9Very low155 Ų155144 Ų14476%0.76481%0.808SS**  48.4150.4117-94.2162.271.800119
274E45.3Very low45.6Very low139 Ų139144.8 Ų144.865%0.6581%0.807SS**  cis-163.3159.518.3-108.1-162.4143.500109.6
275E46.8Very low46Very low170 Ų170149 Ų14979%0.79481%0.812SS**  trans30.3136.8137.6-47.9-155.8150.400123.8
276G46.5Very low44.6Very low65 Ų65151.8 Ų151.867%0.6782%0.817SS**  103.4102.2126.100000117.2
277W48.2Very low43.8Very low339 Ų339154 Ų154100%1.28482%0.816SS**  -176.40108.9-89.519.3000110

Retrieved 277 of 277 residues in 290.1 ms (Link to these results)

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