A0A060CVL7_MAIZE Loading...

ABI3VP1 transcription factor

AlphaFold DB , UniProt , Accession A0A060CVL7, Species MAIZE (Zea mays, Maize), Gene ABI34, Length 273 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
1M61.7Low54.4Low232 Ų232170.5 Ų170.5100%1.14385%0.854SS**  080.50-145.5149.117600106.5
2E48.4Very low53.6Low194 Ų194169.5 Ų169.591%0.90784%0.844SS**  trans-93.2115-175-76.5-180120.600109.4
3F57.2Low52.4Low195 Ų195166.7 Ų166.786%0.85583%0.834SS**  trans-90.2109.2170.6-99.8-95.9000109.1
4R51.2Low51.3Low234 Ų234161.2 Ų161.288%0.88382%0.819SS**PPolyproline II helixtrans-89.1123163.6-74.9-174.2157.8-177.9-5.3108.9
5P67.5Low50.7Low129 Ų129160.2 Ų160.284%0.83881%0.81SS**PPolyproline II helixtrans-80.3129.4171.131-28.5000109.9
6A57.8Low50.6Low92 Ų92164.1 Ų164.176%0.7681%0.812SS**PPolyproline II helixtrans-76.3141.9176.900000111.9
7H47.8Very low50.3Low176 Ų176161.2 Ų161.282%0.81581%0.808SS**  trans53.277.2147.7-108.1-90.7000117.3R9H7-R9 PolarHBondContact O-N 3.34Å; H7-R9 VanDerWaalsContact O-N 3.08Å
8A54.1Low49.8Very low99 Ų99167.1 Ų167.182%0.81882%0.819SS**  trans-68.3102.8153.500000108.3V10A8-V10 PolarHBondContact O-N 3.27Å
9R55.2Low49.2Very low221 Ų221160.6 Ų160.683%0.83480%0.799SS**  trans-56.9119.8169.7-75.6-178.3171.5147.5-2108.8H7 F11H7-R9 PolarHBondContact O-N 3.34Å; H7-R9 VanDerWaalsContact O-N 3.08Å; R9-F11 PolarHBondContact O-N 2.81Å; R9-F11 VanDerWaalsContact O-N 3.08Å
10V49.8Very low48.8Very low121 Ų121155.1 Ų155.173%0.73379%0.786SS**  trans-56.4108.4164.5-178.20000107.1A8 E12A8-V10 PolarHBondContact O-N 3.27Å; V10-E12 VanDerWaalsContact C-N 3.26Å; V10-E12 HydrophobicContact CG1-CB 4.13Å; V10-E12 PolarHBondContact O-N 2.79Å; V10-E12 VanDerWaalsContact O-N 3.14Å
11F47.3Very low48.8Very low183 Ų183153.8 Ų153.880%0.80379%0.785SS**  trans-83.482.4169.3-137.1-89.7000107R9 D13R9-F11 PolarHBondContact O-N 2.81Å; R9-F11 VanDerWaalsContact O-N 3.08Å; F11-D13 HydrophobicContact CD1-CB 4.07Å; F11-D13 HydrophobicContact CE1-CB 4.3Å; F11-D13 PolarHBondContact O-N 3.39Å; F11-D13 VanDerWaalsContact O-N 3.14Å
12E44.8Very low48.4Very low158 Ų158145.6 Ų145.674%0.73875%0.754SS**  trans-82.271.7173-154.1169.4118.800108.2V10 S14V10-E12 VanDerWaalsContact C-N 3.26Å; V10-E12 HydrophobicContact CG1-CB 4.13Å; V10-E12 PolarHBondContact O-N 2.79Å; V10-E12 VanDerWaalsContact O-N 3.14Å; E12-S14 PolarHBondContact O-N 2.87Å
13D38.6Very low49Very low133 Ų133140.7 Ų140.771%0.71173%0.728SS**  trans-83.875.8172.1-150.36.7000109.4F11 E15F11-D13 HydrophobicContact CD1-CB 4.07Å; F11-D13 HydrophobicContact CE1-CB 4.3Å; F11-D13 PolarHBondContact O-N 3.39Å; F11-D13 VanDerWaalsContact O-N 3.14Å; D13-E15 PolarHBondContact O-N 3.08Å
14S36.7Very low49Very low90 Ų90138.4 Ų138.463%0.62972%0.723SS**  trans-81.578.2179.8-168.30000109.9E12E12-S14 PolarHBondContact O-N 2.87Å
15E43.2Very low50.5Low146 Ų146134 Ų13468%0.68271%0.713SS**  trans-115.755.4160.4-80.2-120.6112.300109.6D13 R146D13-E15 PolarHBondContact O-N 3.08Å; E15-R146 IonicContact OE2-NH2 2.69Å; E15-R146 PolarHBondContact OE2-NH2 3.46Å
16R48.2Very low51.5Low222 Ų222129.6 Ų129.684%0.83868%0.681SS**  trans-72.1124.6154.1-77-170.4179.1179.11.6107.1R18R16-R18 PolarHBondContact O-N 3.26Å; R16-R18 VanDerWaalsContact O-N 3.1Å
17P46.3Very low53.1Low115 Ų115129.2 Ų129.275%0.74766%0.663SS**  trans-61.4122.7177.225.8-30.7000107.8G19P17-G19 PolarHBondContact O-N 3.09Å
18R41Very low55.3Low268 Ų268125.8 Ų125.8100%1.01165%0.647SS**SBendtrans-67.855.4173.9-63.7-170.4-173.2-160.23.3111.8R16R16-R18 PolarHBondContact O-N 3.26Å; R16-R18 VanDerWaalsContact O-N 3.1Å
19G39.1Very low57.2Low43 Ų43121.3 Ų121.344%0.44361%0.609SS.*  trans-141.526.4177.300000112.5P17 V21P17-G19 PolarHBondContact O-N 3.09Å; G19-V21 PolarHBondContact O-N 3.08Å; G19-V21 VanDerWaalsContact O-N 3.08Å
20G39.5Very low59Low51 Ų51111 Ų11153%0.52657%0.571SS.*THydrogen-bonded Turntrans-72.68.3-165.700000117.6L24G20-L24 WeakPolarHBondContact O-CD1 3.28Å
21V48.7Very low61.2Low128 Ų128108.8 Ų108.878%0.77655%0.552SS**THydrogen-bonded Turntrans-103-22.8-176.9-66.80000114.6G19G19-V21 PolarHBondContact O-N 3.08Å; G19-V21 VanDerWaalsContact O-N 3.08Å
22A54.9Low63.6Low60 Ų60101.5 Ų101.550%0.49652%0.52SS..SBendtrans-93.7-10.9-174.500000115K26A22-K26 WeakPolarHBondContact O-CD 3.45Å; A22-K26 VanDerWaalsContact O-CE 3.28Å; A22-K26 WeakPolarHBondContact O-CE 3.2Å
23W60.1Low66Low91 Ų9197.8 Ų97.835%0.34551%0.508SS..SBendtrans-102.3-13.3179.2-66.3100.7000113.6E25 K26 R86 A128 F139 D141W23-E25 PolarHBondContact O-N 3.13Å; W23-K26 HydrophobicContact CD2-CD 4.06Å; W23-K26 HydrophobicContact CE3-CB 4.08Å; W23-K26 HydrophobicContact CE3-CD 3.34Å; W23-K26 HydrophobicContact CE3-CG 4.32Å; W23-K26 HydrophobicContact CH2-CD 4.31Å; W23-K26 HydrophobicContact CZ3-CD 3.49Å; W23-K26 VanDerWaalsContact CZ3-CD 3.49Å; W23-K26 PolarHBondContact O-N 3.05Å; W23-R86 HydrophobicContact CZ2-CB 4.36Å; W23-A128 HydrophobicContact CZ3-CB 4.17Å; W23-F139 HydrophobicContact CH2-CB 4.45Å; W23-F139 HydrophobicContact CZ3-CB 4.21Å; W23-D141 HydrophobicContact CH2-CB 3.72Å; W23-D141 HydrophobicContact CZ2-CB 3.78Å; W23-D141 VanDerWaalsContact CZ2-OD2 3.26Å; W23-D141 WeakPolarHBondContact CZ2-OD2 3.45Å
24L58.5Low68.8Low146 Ų14691.5 Ų91.576%0.76448%0.475SS*.THydrogen-bonded Turntrans-63.4-31.8177.4-79.7161.8000112.1G20 K26G20-L24 WeakPolarHBondContact O-CD1 3.28Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 3.49Å
25E82.1Confident71.6Confident141 Ų14189.8 Ų89.866%0.65946%0.461SS*.THydrogen-bonded Turntrans-87.110.1175.8-59-170.6161.100113.3W23 A131W23-E25 PolarHBondContact O-N 3.13Å; E25-A131 WeakPolarHBondContact O-CA 3.44Å; E25-A131 WeakPolarHBondContact O-CB 3.27Å; E25-A131 PolarHBondContact O-N 3.38Å
26K89Confident74.1Confident38 Ų3887.5 Ų87.517%0.16546%0.458CS..EExtended strand (participates in β ladder)trans-117.1122-179.4-63.4175.3-176.5177.40109.9A22 W23 L24 H28 A128 R129 F139A22-K26 WeakPolarHBondContact O-CD 3.45Å; A22-K26 VanDerWaalsContact O-CE 3.28Å; A22-K26 WeakPolarHBondContact O-CE 3.2Å; W23-K26 HydrophobicContact CD2-CD 4.06Å; W23-K26 HydrophobicContact CE3-CB 4.08Å; W23-K26 HydrophobicContact CE3-CD 3.34Å; W23-K26 HydrophobicContact CE3-CG 4.32Å; W23-K26 HydrophobicContact CH2-CD 4.31Å; W23-K26 HydrophobicContact CZ3-CD 3.49Å; W23-K26 VanDerWaalsContact CZ3-CD 3.49Å; W23-K26 PolarHBondContact O-N 3.05Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 3.49Å; K26-H28 PolarHBondContact O-N 3.44Å; K26-A128 HydrophobicContact CB-CB 4.21Å; K26-R129 CarbonylContact C-O 3.6Å; K26-R129 WeakPolarHBondContact CA-O 3.32Å; K26-F139 HydrophobicContact CD-CB 4.13Å; K26-F139 HydrophobicContact CD-CD1 4.1Å; K26-F139 HydrophobicContact CD-CD2 3.76Å; K26-F139 HydrophobicContact CD-CE1 4.48Å; K26-F139 HydrophobicContact CD-CE2 4.17Å; K26-F139 HydrophobicContact CD-CG 3.72Å; K26-F139 VanDerWaalsContact CE-CD1 3.42Å; K26-F139 VanDerWaalsContact CE-CE1 3.5Å; K26-F139 HydrophobicContact CG-CD2 3.88Å; K26-F139 HydrophobicContact CG-CE2 4.02Å; K26-F139 HydrophobicContact CG-CG 4.36Å; K26-F139 VanDerWaalsContact NZ-CD1 3.32Å
27E91.6Very high76.2Confident83 Ų8380.5 Ų80.539%0.38844%0.443SS..EExtended strand (participates in β ladder)trans-74.3115.4172.4-174.5-174.4-177.600109.4M29 A128 R129E27-M29 PolarHBondContact O-N 2.87Å; E27-A128 CarbonylContact O-C 3.59Å; E27-A128 VanDerWaalsContact O-CA 3.28Å; E27-A128 WeakPolarHBondContact O-CA 3.32Å; E27-A128 WeakPolarHBondContact O-CB 3.45Å; E27-R129 PolarHBondContact N-O 3.49Å; E27-R129 PolarHBondContact O-N 3.12Å; E27-R129 IonicContact OE1-NH2 3.39Å; E27-R129 IonicContact OE2-CZ 3.87Å; E27-R129 VanDerWaalsContact OE2-CZ 3.3Å; E27-R129 IonicContact OE2-NE 3.51Å; E27-R129 PolarHBondContact OE2-NE 2.95Å; E27-R129 VanDerWaalsContact OE2-NE 3.1Å; E27-R129 IonicContact OE2-NH2 3.55Å; E27-R129 PolarHBondContact OE2-NH2 2.7Å
28H92.9Very high78.6Confident105 Ų10575.1 Ų75.149%0.48641%0.408SS..EExtended strand (participates in β ladder)trans-62.7126.1174.5171.3-93.9000110.9K26 E31K26-H28 PolarHBondContact O-N 3.44Å; H28-E31 WeakPolarHBondContact NE2-CG 3.31Å
29M93.1Very high81.2Confident4 Ų464.2 Ų64.22%0.0237%0.371CS..EExtended strand (participates in β ladder)trans-92.9-75.5175.3-59.6158.979.800109E27 Y55 F56 F127 R129 F138E27-M29 PolarHBondContact O-N 2.87Å; M29-Y55 HydrophobicContact CB-CD1 3.68Å; M29-Y55 HydrophobicContact CB-CD2 4.08Å; M29-Y55 HydrophobicContact CB-CE1 3.98Å; M29-Y55 HydrophobicContact CB-CE2 4.38Å; M29-Y55 HydrophobicContact CB-CG 3.73Å; M29-Y55 HydrophobicContact CE-CG 4.33Å; M29-Y55 HydrophobicContact CG-CD1 3.82Å; M29-Y55 HydrophobicContact CG-CE1 4.33Å; M29-Y55 HydrophobicContact CG-CG 4.16Å; M29-Y55 WeakPolarHBondContact O-CE2 3.19Å; M29-Y55 PolarHBondContact O-OH 3.35Å; M29-F56 HydrophobicContact CE-CD1 4.02Å; M29-F56 HydrophobicContact CE-CE1 3.38Å; M29-F56 HydrophobicContact CE-CE2 4.37Å; M29-F56 HydrophobicContact CE-CZ 3.56Å; M29-F127 WeakPolarHBondContact CA-O 2.92Å; M29-F127 HydrophobicContact CB-CB 4.4Å; M29-F127 VanDerWaalsContact CB-O 3.32Å; M29-F127 WeakPolarHBondContact CB-O 3.46Å; M29-F127 PolarHBondContact N-O 3.02Å; M29-R129 HydrophobicContact CG-CB 4.08Å; M29-R129 HydrophobicContact SD-CB 3.8Å; M29-R129 PolarHBondContact SD-N 3.41Å; M29-R129 VanDerWaalsContact SD-N 3.45Å; M29-F138 HydrophobicContact CE-CD1 3.87Å; M29-F138 HydrophobicContact CE-CE1 3.79Å; M29-F138 HydrophobicContact SD-CD1 4Å; M29-F138 HydrophobicContact SD-CE1 4.41Å
30F94.9Very high83.6Confident5 Ų563.5 Ų63.52%0.02236%0.364CS..EExtended strand (participates in β ladder)trans-155.9159.9-179.363.2-82.8000111.2K32 I47 H51 Y55 F56 F127F30-K32 HydrophobicContact CE2-CB 4.42Å; F30-I47 HydrophobicContact CE2-CD1 4.31Å; F30-I47 HydrophobicContact CE2-CG2 4.03Å; F30-I47 HydrophobicContact CZ-CD1 4.28Å; F30-I47 HydrophobicContact CZ-CG2 3.79Å; F30-H51 HydrophobicContact CB-CB 4.09Å; F30-H51 HydrophobicContact CD1-CB 3.89Å; F30-H51 HydrophobicContact CD2-CB 4.06Å; F30-H51 AromaticContact CD2-CD2 3.91Å; F30-H51 HydrophobicContact CE1-CB 4.37Å; F30-H51 HydrophobicContact CG-CB 3.73Å; F30-H51 AromaticContact CG-CG 3.91Å; F30-Y55 HydrophobicContact CB-CD2 4.42Å; F30-Y55 HydrophobicContact CB-CE2 4.16Å; F30-Y55 AromaticContact CD1-CD2 3.69Å; F30-Y55 HydrophobicContact CD1-CD2 3.69Å; F30-Y55 HydrophobicContact CD1-CE2 4.26Å; F30-Y55 HydrophobicContact CD1-CG 4.35Å; F30-Y55 HydrophobicContact CG-CD2 4.47Å; F30-F56 AromaticContact CE1-CE2 3.54Å; F30-F56 HydrophobicContact CE1-CE2 3.54Å; F30-F56 AromaticContact CE1-CZ 3.98Å; F30-F56 HydrophobicContact CE1-CZ 3.98Å; F30-F56 AromaticContact CZ-CE2 3.82Å; F30-F56 HydrophobicContact CZ-CE2 3.82Å; F30-F56 HydrophobicContact CZ-CZ 4.37Å; F30-F127 HydrophobicContact CD1-CB 4.13Å; F30-F127 AromaticContact CD2-CD2 3.86Å; F30-F127 HydrophobicContact CD2-CD2 3.86Å; F30-F127 HydrophobicContact CE1-CB 3.81Å; F30-F127 HydrophobicContact CE1-CD2 4.16Å; F30-F127 HydrophobicContact CE1-CG 4.01Å; F30-F127 HydrophobicContact CE2-CB 4.38Å; F30-F127 AromaticContact CE2-CD2 3.25Å; F30-F127 HydrophobicContact CE2-CD2 3.25Å; F30-F127 AromaticContact CE2-CE2 3.66Å; F30-F127 HydrophobicContact CE2-CE2 3.66Å; F30-F127 AromaticContact CE2-CG 3.94Å; F30-F127 HydrophobicContact CE2-CG 3.94Å; F30-F127 HydrophobicContact CZ-CB 3.94Å; F30-F127 HydrophobicContact CZ-CD1 4.28Å; F30-F127 AromaticContact CZ-CD2 3.42Å; F30-F127 HydrophobicContact CZ-CD2 3.42Å; F30-F127 VanDerWaalsContact CZ-CD2 3.42Å; F30-F127 AromaticContact CZ-CE2 3.95Å; F30-F127 HydrophobicContact CZ-CE2 3.95Å; F30-F127 AromaticContact CZ-CG 3.61Å; F30-F127 HydrophobicContact CZ-CG 3.61Å; F30-F127 PolarHBondContact N-O 3.19Å; F30-F127 PolarHBondContact O-N 3.45Å
31E96Very high86Confident74 Ų7470.7 Ų70.735%0.34638%0.381SS..EExtended strand (participates in β ladder)trans-105.9145.7169.9-58.1-167.4170.400109.7H28 T124 V125 L126 R143H28-E31 WeakPolarHBondContact NE2-CG 3.31Å; E31-T124 HydrophobicContact CB-CG2 3.69Å; E31-T124 HydrophobicContact CG-CG2 4.29Å; E31-V125 CarbonylContact C-O 3.52Å; E31-V125 WeakPolarHBondContact CA-O 3.48Å; E31-L126 HydrophobicContact CG-CD2 4.36Å; E31-L126 HydrophobicContact CG-CG 4.09Å; E31-L126 WeakPolarHBondContact OE1-CD2 3.45Å; E31-R143 IonicContact OE1-NH1 3.48Å; E31-R143 IonicContact OE1-NH2 3.93Å; E31-R143 IonicContact OE2-CZ 2.81Å; E31-R143 IonicContact OE2-NH2 3.84Å; E31-R143 PolarHBondContact OE2-NH2 3.38Å
32K95.6Very high87.8Confident30 Ų3069.4 Ų69.413%0.1337%0.369CS..EExtended strand (participates in β ladder)trans-129.7118.6176.1171.462.1-176.4-146.40109.4F30 V34 L45 V46 P48 T124 V125 F127F30-K32 HydrophobicContact CE2-CB 4.42Å; K32-V34 PolarHBondContact O-N 3.43Å; K32-L45 HydrophobicContact CG-CD1 3.94Å; K32-V46 VanDerWaalsContact CE-O 3.32Å; K32-V46 WeakPolarHBondContact CE-O 3.46Å; K32-V46 PolarHBondContact NZ-O 3.26Å; K32-P48 HydrophobicContact CD-CG 4.3Å; K32-T124 WeakPolarHBondContact O-CA 3.03Å; K32-V125 PolarHBondContact N-O 3.47Å; K32-V125 PolarHBondContact O-N 3Å; K32-F127 HydrophobicContact CB-CE2 4.28Å
33V96.6Very high89.3Confident80 Ų8069.8 Ų69.849%0.48536%0.363SS..EExtended strand (participates in β ladder)trans-70.5125.2167.8-177.90000108.8T35V33-T35 PolarHBondContact O-N 2.89Å
34V96.3Very high91Very high2 Ų268.1 Ų68.11%0.01236%0.356CS..PPolyproline II helixtrans-71.4119.3179.1177.30000109.1K32 D38 V39 W110 A121 G122 D123 V125K32-V34 PolarHBondContact O-N 3.43Å; V34-D38 HydrophobicContact CG1-CB 4.03Å; V34-V39 HydrophobicContact CG1-CB 4.39Å; V34-V39 HydrophobicContact CG1-CG1 3.36Å; V34-V39 HydrophobicContact CG1-CG2 4.28Å; V34-W110 HydrophobicContact CG2-CH2 4.44Å; V34-A121 CarbonylContact O-C 3.57Å; V34-G122 PolarHBondContact O-N 3.19Å; V34-D123 WeakPolarHBondContact CB-O 3.16Å; V34-D123 VanDerWaalsContact CG2-O 3.32Å; V34-D123 WeakPolarHBondContact CG2-O 3.19Å; V34-D123 PolarHBondContact N-O 3.14Å; V34-V125 HydrophobicContact CG2-CG2 3.64Å
35T95.6Very high92.8Very high54 Ų5461.1 Ų61.133%0.33132%0.32SS..PPolyproline II helixtrans-88.2161.3176.168.30000110.9V33 S37 D38 V39V33-T35 PolarHBondContact O-N 2.89Å; T35-S37 PolarHBondContact O-N 3Å; T35-S37 VanDerWaalsContact O-N 3.14Å; T35-D38 WeakPolarHBondContact CB-OD2 3.03Å; T35-D38 PolarHBondContact N-OD2 2.9Å; T35-D38 WeakPolarHBondContact O-CB 3.42Å; T35-D38 PolarHBondContact O-N 3.2Å; T35-D38 PolarHBondContact OG1-N 3.18Å; T35-D38 PolarHBondContact OG1-OD2 2.57Å; T35-V39 PolarHBondContact O-N 2.96Å
36P95.4Very high93.4Very high97 Ų9756.7 Ų56.763%0.6330%0.302SS*.Hα-helixtrans-54.1-31.2172.5-2735.5000113.6D38 G40 A121P36-D38 VanDerWaalsContact C-N 3.32Å; P36-G40 VanDerWaalsContact O-CA 3.24Å; P36-G40 WeakPolarHBondContact O-CA 3.33Å; P36-G40 PolarHBondContact O-N 2.72Å; P36-A121 HydrophobicContact CB-CB 4.49Å; P36-A121 HydrophobicContact CG-CB 4.05Å
37S93.8Very high93.7Very high76 Ų7654.9 Ų54.953%0.53129%0.294SS..Hα-helixtrans-69.5-29.2176.2-54.70000113.1T35T35-S37 PolarHBondContact O-N 3Å; T35-S37 VanDerWaalsContact O-N 3.14Å
38D96Very high93.7Very high1 Ų152.8 Ų52.81%0.00529%0.288CS..Hα-helixtrans-72.8-41.2-178.8-62.2-55.4000111.7V34 T35 P36 R44 L45 V46 W110V34-D38 HydrophobicContact CG1-CB 4.03Å; T35-D38 WeakPolarHBondContact CB-OD2 3.03Å; T35-D38 PolarHBondContact N-OD2 2.9Å; T35-D38 WeakPolarHBondContact O-CB 3.42Å; T35-D38 PolarHBondContact O-N 3.2Å; T35-D38 PolarHBondContact OG1-N 3.18Å; T35-D38 PolarHBondContact OG1-OD2 2.57Å; P36-D38 VanDerWaalsContact C-N 3.32Å; D38-R44 VanDerWaalsContact CA-O 3.28Å; D38-R44 WeakPolarHBondContact CA-O 3.41Å; D38-L45 HydrophobicContact CB-CD1 4.04Å; D38-L45 WeakPolarHBondContact OD1-CA 3.43Å; D38-V46 PolarHBondContact OD1-N 3.08Å; D38-W110 HydrophobicContact CB-CZ2 4.27Å; D38-W110 PolarHBondContact O-NE1 3.25Å
39V95Very high93.5Very high39 Ų3952 Ų5224%0.23628%0.283CS..Hα-helixtrans-95.2-1.5177-67.90000113.6V34 T35 V114 A121V34-V39 HydrophobicContact CG1-CB 4.39Å; V34-V39 HydrophobicContact CG1-CG1 3.36Å; V34-V39 HydrophobicContact CG1-CG2 4.28Å; T35-V39 PolarHBondContact O-N 2.96Å; V39-V114 HydrophobicContact CB-CG1 4.31Å; V39-V114 HydrophobicContact CG1-CG1 3.8Å; V39-V114 HydrophobicContact CG1-CG2 4.09Å; V39-A121 HydrophobicContact CG2-CB 4.1Å
40G89.8Confident93.5Very high28 Ų2858.5 Ų58.529%0.28931%0.313SS..SBendtrans-80.4-158.8-177.100000113.4P36 L42 N43P36-G40 VanDerWaalsContact O-CA 3.24Å; P36-G40 WeakPolarHBondContact O-CA 3.33Å; P36-G40 PolarHBondContact O-N 2.72Å; G40-L42 PolarHBondContact O-N 3.09Å; G40-N43 PolarHBondContact O-N 3.25Å; G40-N43 PolarHBondContact O-ND2 3.44Å
41K89.5Confident93.3Very high203 Ų20360.6 Ų60.688%0.88332%0.323SS*.THydrogen-bonded Turntrans-58.5-33.8-175.7-170.3173.9-177.91770113.6N43K41-N43 PolarHBondContact O-N 3.42Å; K41-N43 PolarHBondContact O-ND2 3.15Å
42L86.4Confident93.1Very high101 Ų10157.1 Ų57.153%0.52931%0.307SS..THydrogen-bonded Turntrans-73.6-15-174.8-74157000113.6G40 R44G40-L42 PolarHBondContact O-N 3.09Å; L42-R44 HydrophobicContact CB-CG 4.08Å; L42-R44 PolarHBondContact O-N 3.13Å; L42-R44 PolarHBondContact O-NE 2.81Å
43N87.6Confident92.7Very high67 Ų6759.9 Ų59.936%0.35832%0.321SS..  trans42.346.6174.2-75.7-75.4000112.7G40 K41 W110 S111G40-N43 PolarHBondContact O-N 3.25Å; G40-N43 PolarHBondContact O-ND2 3.44Å; K41-N43 PolarHBondContact O-N 3.42Å; K41-N43 PolarHBondContact O-ND2 3.15Å; N43-W110 VanDerWaalsContact C-CD1 3.46Å; N43-S111 WeakPolarHBondContact OD1-CB 3.46Å
44R95Very high92.3Very high56 Ų5664.4 Ų64.421%0.21133%0.329CS..  trans-137.4139.8-179.767.8-173.567.1-1744.3109D38 L42 M106 T107D38-R44 VanDerWaalsContact CA-O 3.28Å; D38-R44 WeakPolarHBondContact CA-O 3.41Å; L42-R44 HydrophobicContact CB-CG 4.08Å; L42-R44 PolarHBondContact O-N 3.13Å; L42-R44 PolarHBondContact O-NE 2.81Å; R44-M106 WeakPolarHBondContact CA-O 3.37Å; R44-T107 HydrophobicContact CB-CG2 4.33Å
45L97Very high91.9Very high0 Ų066.1 Ų66.10%034%0.335CS..EExtended strand (participates in β ladder)trans-94.4124.7172.2-179.766.9000109.2K32 D38 I47 V105 M106 W110 F127K32-L45 HydrophobicContact CG-CD1 3.94Å; D38-L45 HydrophobicContact CB-CD1 4.04Å; D38-L45 WeakPolarHBondContact OD1-CA 3.43Å; L45-I47 HydrophobicContact CD2-CD1 3.59Å; L45-I47 HydrophobicContact CG-CD1 3.83Å; L45-V105 CarbonylContact O-C 3.56Å; L45-V105 VanDerWaalsContact O-CA 3.31Å; L45-V105 WeakPolarHBondContact O-CA 3.48Å; L45-M106 HydrophobicContact CB-CB 4.28Å; L45-M106 HydrophobicContact CD2-SD 4.43Å; L45-M106 PolarHBondContact N-O 3.13Å; L45-M106 PolarHBondContact O-N 2.93Å; L45-W110 HydrophobicContact CB-CD2 3.73Å; L45-W110 HydrophobicContact CB-CE3 4Å; L45-W110 HydrophobicContact CB-CG 4.17Å; L45-W110 HydrophobicContact CB-CH2 4.39Å; L45-W110 HydrophobicContact CB-CZ2 4.13Å; L45-W110 HydrophobicContact CB-CZ3 4.32Å; L45-W110 HydrophobicContact CD1-CH2 3.98Å; L45-W110 HydrophobicContact CD1-CZ2 3.95Å; L45-W110 HydrophobicContact CD1-CZ3 4.48Å; L45-W110 HydrophobicContact CD2-CE3 4.07Å; L45-W110 HydrophobicContact CD2-CH2 4.11Å; L45-W110 HydrophobicContact CD2-CZ3 3.79Å; L45-W110 HydrophobicContact CG-CH2 4.4Å; L45-W110 HydrophobicContact CG-CZ2 4.47Å; L45-W110 HydrophobicContact CG-CZ3 4.44Å; L45-F127 HydrophobicContact CD2-CE2 4.18Å; L45-F127 HydrophobicContact CD2-CZ 3.61Å
46V95.3Very high91.3Very high48 Ų4864.1 Ų64.129%0.29132%0.322SS..EExtended strand (participates in β ladder)trans-89.2119.3172.9-176.90000110K32 D38 V105K32-V46 VanDerWaalsContact CE-O 3.32Å; K32-V46 WeakPolarHBondContact CE-O 3.46Å; K32-V46 PolarHBondContact NZ-O 3.26Å; D38-V46 PolarHBondContact OD1-N 3.08Å; V46-V105 HydrophobicContact CG2-CG1 4.25Å
47I94Very high89.7Confident0 Ų063.7 Ų63.70%032%0.319CS..EExtended strand (participates in β ladder)trans-90.6125.5177.5-52.1-59.4000109.1F30 L45 K49 A52 Y95 Y104 M106 F127F30-I47 HydrophobicContact CE2-CD1 4.31Å; F30-I47 HydrophobicContact CE2-CG2 4.03Å; F30-I47 HydrophobicContact CZ-CD1 4.28Å; F30-I47 HydrophobicContact CZ-CG2 3.79Å; L45-I47 HydrophobicContact CD2-CD1 3.59Å; L45-I47 HydrophobicContact CG-CD1 3.83Å; I47-K49 PolarHBondContact O-N 2.8Å; I47-A52 HydrophobicContact CG2-CB 3.96Å; I47-Y95 HydrophobicContact CG1-CE2 4.31Å; I47-Y104 PolarHBondContact N-O 2.68Å; I47-M106 HydrophobicContact CD1-CE 4Å; I47-M106 HydrophobicContact CD1-CG 4.48Å; I47-M106 HydrophobicContact CD1-SD 4.37Å; I47-M106 HydrophobicContact CG1-CE 4.19Å; I47-M106 HydrophobicContact CG1-CG 4.34Å; I47-F127 HydrophobicContact CD1-CE2 4.47Å; I47-F127 HydrophobicContact CD1-CZ 4.29Å
48P91.4Very high87.7Confident38 Ų3862.9 Ų62.925%0.24732%0.317CS..PPolyproline II helixtrans-55.5130.5175.6-25.535.3000111.3K32 Q50 H51 A52K32-P48 HydrophobicContact CD-CG 4.3Å; P48-Q50 VanDerWaalsContact C-N 3.31Å; P48-Q50 HydrophobicContact CB-CG 4.25Å; P48-Q50 PolarHBondContact O-N 3.3Å; P48-H51 PolarHBondContact O-N 2.81Å; P48-A52 PolarHBondContact O-N 3.1Å
49K90Very high85.8Confident88 Ų8864 Ų6438%0.38332%0.323SS..Hα-helixtrans-52.2-46.9-174.3-175.7179174.1-175.40112.7I47 H51 A52 E53 Y104I47-K49 PolarHBondContact O-N 2.8Å; K49-H51 VanDerWaalsContact C-N 3.27Å; K49-H51 PolarHBondContact O-N 3.5Å; K49-A52 WeakPolarHBondContact O-CB 3.39Å; K49-A52 PolarHBondContact O-N 2.76Å; K49-A52 VanDerWaalsContact O-N 3.13Å; K49-E53 WeakPolarHBondContact CE-OE1 3.01Å; K49-E53 HydrophobicContact CG-CG 4.32Å; K49-E53 IonicContact NZ-OE1 2.68Å; K49-E53 WeakPolarHBondContact O-CG 3.34Å; K49-E53 PolarHBondContact O-N 2.93Å; K49-Y104 HydrophobicContact CG-CE2 4.3Å
50Q91.8Very high83.5Confident142 Ų14267.9 Ų67.966%0.66434%0.343SS*.Hα-helixtrans-54.1-39.3176.956.2174-56.800113.8P48 R54P48-Q50 VanDerWaalsContact C-N 3.31Å; P48-Q50 HydrophobicContact CB-CG 4.25Å; P48-Q50 PolarHBondContact O-N 3.3Å; Q50-R54 WeakPolarHBondContact O-CB 3.49Å; Q50-R54 PolarHBondContact O-N 2.69Å
51H91.6Very high81.3Confident48 Ų4870.3 Ų70.322%0.22236%0.359CS..Hα-helixtrans-79.5-39179.3-61.8-29.1000110.9F30 P48 K49 R54 Y55F30-H51 HydrophobicContact CB-CB 4.09Å; F30-H51 HydrophobicContact CD1-CB 3.89Å; F30-H51 HydrophobicContact CD2-CB 4.06Å; F30-H51 AromaticContact CD2-CD2 3.91Å; F30-H51 HydrophobicContact CE1-CB 4.37Å; F30-H51 HydrophobicContact CG-CB 3.73Å; F30-H51 AromaticContact CG-CG 3.91Å; P48-H51 PolarHBondContact O-N 2.81Å; K49-H51 VanDerWaalsContact C-N 3.27Å; K49-H51 PolarHBondContact O-N 3.5Å; H51-R54 PolarHBondContact O-N 3.03Å; H51-Y55 HydrophobicContact CB-CD2 4.29Å; H51-Y55 WeakPolarHBondContact O-CB 3.22Å; H51-Y55 VanDerWaalsContact O-CD2 3.26Å; H51-Y55 WeakPolarHBondContact O-CD2 3.35Å; H51-Y55 PolarHBondContact O-N 2.93Å
52A90.7Very high79.1Confident1 Ų165 Ų651%0.00835%0.348CS..Hα-helixtrans-58.3-50175.700000112I47 P48 K49 R54 F56 Y95 Y104I47-A52 HydrophobicContact CG2-CB 3.96Å; P48-A52 PolarHBondContact O-N 3.1Å; K49-A52 WeakPolarHBondContact O-CB 3.39Å; K49-A52 PolarHBondContact O-N 2.76Å; K49-A52 VanDerWaalsContact O-N 3.13Å; A52-R54 VanDerWaalsContact C-N 3.32Å; A52-R54 PolarHBondContact O-N 2.9Å; A52-F56 CarbonylContact O-C 3.59Å; A52-F56 WeakPolarHBondContact O-CA 3.36Å; A52-F56 WeakPolarHBondContact O-CB 3.21Å; A52-F56 PolarHBondContact O-N 2.85Å; A52-Y95 VanDerWaalsContact CB-OH 3.22Å; A52-Y95 WeakPolarHBondContact CB-OH 3.41Å; A52-Y104 HydrophobicContact CB-CD1 4.43Å; A52-Y104 HydrophobicContact CB-CD2 3.2Å; A52-Y104 HydrophobicContact CB-CE2 3.67Å; A52-Y104 HydrophobicContact CB-CG 3.63Å
53E88.6Confident77.3Confident89 Ų8960.8 Ų60.842%0.41633%0.328SS..Hα-helixtrans-68.2-32.7-179.7-68.4173.9163.800112.1K49 P57 Y104K49-E53 WeakPolarHBondContact CE-OE1 3.01Å; K49-E53 HydrophobicContact CG-CG 4.32Å; K49-E53 IonicContact NZ-OE1 2.68Å; K49-E53 WeakPolarHBondContact O-CG 3.34Å; K49-E53 PolarHBondContact O-N 2.93Å; E53-P57 WeakPolarHBondContact O-CA 3.44Å; E53-P57 WeakPolarHBondContact O-CB 3.26Å; E53-P57 VanDerWaalsContact O-CD 3.26Å; E53-P57 WeakPolarHBondContact O-CD 3.05Å; E53-P57 VanDerWaalsContact O-CG 3.31Å; E53-P57 WeakPolarHBondContact O-CG 3.31Å; E53-Y104 HydrophobicContact CG-CE2 4.15Å
54R88.7Confident75.2Confident174 Ų17459.9 Ų59.966%0.65733%0.33SS*.Hα-helixtrans-74.2-41.1179.4-174174.1-172.6-142.92.7113.6Q50 H51 A52 P57Q50-R54 WeakPolarHBondContact O-CB 3.49Å; Q50-R54 PolarHBondContact O-N 2.69Å; H51-R54 PolarHBondContact O-N 3.03Å; A52-R54 VanDerWaalsContact C-N 3.32Å; A52-R54 PolarHBondContact O-N 2.9Å; R54-P57 VanDerWaalsContact C-CD 3.49Å; R54-P57 WeakPolarHBondContact O-CD 3.39Å
55Y87.1Confident72.6Confident39 Ų3960.7 Ų60.715%0.15335%0.349CS..Hα-helixtrans-108.5-20.5-169.6-63.3-69.2000114.7M29 F30 H51M29-Y55 HydrophobicContact CB-CD1 3.68Å; M29-Y55 HydrophobicContact CB-CD2 4.08Å; M29-Y55 HydrophobicContact CB-CE1 3.98Å; M29-Y55 HydrophobicContact CB-CE2 4.38Å; M29-Y55 HydrophobicContact CB-CG 3.73Å; M29-Y55 HydrophobicContact CE-CG 4.33Å; M29-Y55 HydrophobicContact CG-CD1 3.82Å; M29-Y55 HydrophobicContact CG-CE1 4.33Å; M29-Y55 HydrophobicContact CG-CG 4.16Å; M29-Y55 WeakPolarHBondContact O-CE2 3.19Å; M29-Y55 PolarHBondContact O-OH 3.35Å; F30-Y55 HydrophobicContact CB-CD2 4.42Å; F30-Y55 HydrophobicContact CB-CE2 4.16Å; F30-Y55 AromaticContact CD1-CD2 3.69Å; F30-Y55 HydrophobicContact CD1-CD2 3.69Å; F30-Y55 HydrophobicContact CD1-CE2 4.26Å; F30-Y55 HydrophobicContact CD1-CG 4.35Å; F30-Y55 HydrophobicContact CG-CD2 4.47Å; H51-Y55 HydrophobicContact CB-CD2 4.29Å; H51-Y55 WeakPolarHBondContact O-CB 3.22Å; H51-Y55 VanDerWaalsContact O-CD2 3.26Å; H51-Y55 WeakPolarHBondContact O-CD2 3.35Å; H51-Y55 PolarHBondContact O-N 2.93Å
56F82.7Confident70.1Confident11 Ų1163.7 Ų63.75%0.04837%0.373CS..SBendtrans-113.932170.6-54.4-60000114M29 F30 A52 A58 L59 L81 F83 Y95 M106 F138M29-F56 HydrophobicContact CE-CD1 4.02Å; M29-F56 HydrophobicContact CE-CE1 3.38Å; M29-F56 HydrophobicContact CE-CE2 4.37Å; M29-F56 HydrophobicContact CE-CZ 3.56Å; F30-F56 AromaticContact CE1-CE2 3.54Å; F30-F56 HydrophobicContact CE1-CE2 3.54Å; F30-F56 AromaticContact CE1-CZ 3.98Å; F30-F56 HydrophobicContact CE1-CZ 3.98Å; F30-F56 AromaticContact CZ-CE2 3.82Å; F30-F56 HydrophobicContact CZ-CE2 3.82Å; F30-F56 HydrophobicContact CZ-CZ 4.37Å; A52-F56 CarbonylContact O-C 3.59Å; A52-F56 WeakPolarHBondContact O-CA 3.36Å; A52-F56 WeakPolarHBondContact O-CB 3.21Å; A52-F56 PolarHBondContact O-N 2.85Å; F56-A58 VanDerWaalsContact C-N 3.25Å; F56-A58 PolarHBondContact O-N 2.79Å; F56-A58 VanDerWaalsContact O-N 3.09Å; F56-L59 HydrophobicContact CB-CD1 3.76Å; F56-L59 HydrophobicContact CD1-CD1 3.63Å; F56-L59 HydrophobicContact CG-CD1 4.07Å; F56-L81 HydrophobicContact CD1-CD1 4.36Å; F56-L81 HydrophobicContact CE1-CD1 4.13Å; F56-F83 HydrophobicContact CE1-CZ 4.12Å; F56-F83 HydrophobicContact CZ-CE1 4.42Å; F56-F83 AromaticContact CZ-CZ 3.97Å; F56-F83 HydrophobicContact CZ-CZ 3.97Å; F56-Y95 HydrophobicContact CB-CE1 4.48Å; F56-Y95 HydrophobicContact CD2-CE2 4.48Å; F56-M106 HydrophobicContact CE2-CE 4.48Å; F56-M106 HydrophobicContact CZ-CE 4.4Å; F56-F138 HydrophobicContact CD1-CE1 4.36Å; F56-F138 HydrophobicContact CD1-CZ 4.48Å; F56-F138 HydrophobicContact CE1-CD1 4.29Å; F56-F138 HydrophobicContact CE1-CE1 4.01Å; F56-F138 HydrophobicContact CE1-CZ 4.4Å
57P62.3Low67.7Low89 Ų8962.9 Ų62.958%0.57837%0.37SS*.THydrogen-bonded Turntrans-62.5-21.5-168.910.9-20000115.9E53 R54E53-P57 WeakPolarHBondContact O-CA 3.44Å; E53-P57 WeakPolarHBondContact O-CB 3.26Å; E53-P57 VanDerWaalsContact O-CD 3.26Å; E53-P57 WeakPolarHBondContact O-CD 3.05Å; E53-P57 VanDerWaalsContact O-CG 3.31Å; E53-P57 WeakPolarHBondContact O-CG 3.31Å; R54-P57 VanDerWaalsContact C-CD 3.49Å; R54-P57 WeakPolarHBondContact O-CD 3.39Å
58A51.2Low65.2Low58 Ų5866.3 Ų66.348%0.47940%0.398SS..THydrogen-bonded Turntrans-142.117.5-161.600000114.3F56 D60 A61 S62F56-A58 VanDerWaalsContact C-N 3.25Å; F56-A58 PolarHBondContact O-N 2.79Å; F56-A58 VanDerWaalsContact O-N 3.09Å; A58-D60 PolarHBondContact O-N 3.29Å; A58-D60 VanDerWaalsContact O-N 3.15Å; A58-A61 PolarHBondContact O-N 3.03Å; A58-A61 VanDerWaalsContact O-N 3.14Å; A58-S62 PolarHBondContact O-N 2.86Å
59L55.7Low62.8Low25 Ų2569.5 Ų69.513%0.13142%0.421CS..Iπ-helixtrans-63.9-17.8171.9-71.6151.2000111.7F56 A61 A63 A64 L79 L81 F138F56-L59 HydrophobicContact CB-CD1 3.76Å; F56-L59 HydrophobicContact CD1-CD1 3.63Å; F56-L59 HydrophobicContact CG-CD1 4.07Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 2.85Å; L59-A63 HydrophobicContact CB-CB 3.99Å; L59-A63 HydrophobicContact CD2-CB 3.59Å; L59-A63 HydrophobicContact CG-CB 4.4Å; L59-A63 CarbonylContact O-C 3.29Å; L59-A63 VanDerWaalsContact O-C 3.29Å; L59-A63 WeakPolarHBondContact O-CA 3.29Å; L59-A63 WeakPolarHBondContact O-CB 3.13Å; L59-A63 PolarHBondContact O-N 3.18Å; L59-A64 PolarHBondContact O-N 2.87Å; L59-L79 HydrophobicContact CB-CD2 3.3Å; L59-L79 HydrophobicContact CD1-CD2 3.64Å; L59-L79 HydrophobicContact CD2-CD2 3.94Å; L59-L79 HydrophobicContact CG-CD2 3.78Å; L59-L81 HydrophobicContact CD1-CD2 3.55Å; L59-L81 HydrophobicContact CD2-CD2 3.96Å; L59-L81 HydrophobicContact CG-CD2 4.34Å; L59-F138 HydrophobicContact CD2-CE2 4.32Å; L59-F138 HydrophobicContact CD2-CZ 4.35Å
60D47.5Very low60.6Low121 Ų12169.1 Ų69.165%0.64743%0.434SS*.Iπ-helixtrans-73.5-20.5177.5-52.6-11.3000112.5A58 A64A58-D60 PolarHBondContact O-N 3.29Å; A58-D60 VanDerWaalsContact O-N 3.15Å; D60-A64 WeakPolarHBondContact O-CB 3.48Å
61A43.3Very low58.2Low78 Ų7865.7 Ų65.765%0.64543%0.426SS*.Iπ-helixtrans-102.7-48.2176.400000112.2A58 L59A58-A61 PolarHBondContact O-N 3.03Å; A58-A61 VanDerWaalsContact O-N 3.14Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 2.85Å
62S43.9Very low55.4Low91 Ų9168.6 Ų68.664%0.63646%0.458SS*.Iπ-helixtrans-86.9-37.3-176.7177.80000112.9A58 A65 A66A58-S62 PolarHBondContact O-N 2.86Å; S62-A65 PolarHBondContact O-N 3.36Å; S62-A66 PolarHBondContact O-N 2.88Å
63A48.1Very low52.9Low14 Ų1471.5 Ų71.512%0.11649%0.488CS..Iπ-helixtrans-88.8-13.9176.700000112.8L59 A65 S67 L79L59-A63 HydrophobicContact CB-CB 3.99Å; L59-A63 HydrophobicContact CD2-CB 3.59Å; L59-A63 HydrophobicContact CG-CB 4.4Å; L59-A63 CarbonylContact O-C 3.29Å; L59-A63 VanDerWaalsContact O-C 3.29Å; L59-A63 WeakPolarHBondContact O-CA 3.29Å; L59-A63 WeakPolarHBondContact O-CB 3.13Å; L59-A63 PolarHBondContact O-N 3.18Å; A63-A65 VanDerWaalsContact C-N 3.33Å; A63-S67 WeakPolarHBondContact O-CA 3.41Å; A63-S67 WeakPolarHBondContact O-CB 3.29Å; A63-S67 PolarHBondContact O-N 2.8Å; A63-S67 PolarHBondContact O-OG 2.88Å; A63-L79 HydrophobicContact CB-CD1 3.5Å; A63-L79 HydrophobicContact CB-CD2 4.42Å
64A43.2Very low50.1Low47 Ų4771.6 Ų71.639%0.38851%0.513SS..Hα-helixtrans-62.3-43.1159.300000110.5L59 D60 A68L59-A64 PolarHBondContact O-N 2.87Å; D60-A64 WeakPolarHBondContact O-CB 3.48Å; A64-A68 WeakPolarHBondContact O-CA 3.48Å; A64-A68 WeakPolarHBondContact O-CB 3.17Å; A64-A68 PolarHBondContact O-N 2.72Å
65A40.9Very low47.9Very low74 Ų7465.9 Ų65.961%0.61251%0.508SS*.Hα-helixtrans-66.9-43.3174.600000112.7S62 A63S62-A65 PolarHBondContact O-N 3.36Å; A63-A65 VanDerWaalsContact C-N 3.33Å
66A44.7Very low46.4Very low62 Ų6273.6 Ų73.651%0.51254%0.543SS..Hα-helixtrans-76.4-36.5-179.600000113.9S62 S69S62-A66 PolarHBondContact O-N 2.88Å; A66-S69 PolarHBondContact O-OG 3.13Å
67S44.2Very low45.4Very low32 Ų3278.4 Ų78.422%0.22459%0.585CS.*Hα-helixtrans-87.1-21.5179.277.30000113.7A63 S69 A70 S71A63-S67 WeakPolarHBondContact O-CA 3.41Å; A63-S67 WeakPolarHBondContact O-CB 3.29Å; A63-S67 PolarHBondContact O-N 2.8Å; A63-S67 PolarHBondContact O-OG 2.88Å; S67-S69 PolarHBondContact O-N 3.24Å; S67-A70 PolarHBondContact O-N 2.96Å; S67-S71 PolarHBondContact O-N 3.27Å; S67-S71 PolarHBondContact O-OG 3.35Å
68A41.6Very low45.8Very low71 Ų7175 Ų7559%0.58757%0.565SS**Hα-helixtrans-62-31.5166.500000111.8A64A64-A68 WeakPolarHBondContact O-CA 3.48Å; A64-A68 WeakPolarHBondContact O-CB 3.17Å; A64-A68 PolarHBondContact O-N 2.72Å
69S40.5Very low47.6Very low106 Ų10673.2 Ų73.274%0.74155%0.548SS*.THydrogen-bonded Turntrans-77.3-19.3175.484.30000114.3A66 S67A66-S69 PolarHBondContact O-OG 3.13Å; S67-S69 PolarHBondContact O-N 3.24Å
70A43.7Very low49.3Very low79 Ų7974.6 Ų74.665%0.65356%0.557SS**THydrogen-bonded Turntrans-117.6-2.7-173.500000115S67S67-A70 PolarHBondContact O-N 2.96Å
71S41.5Very low51.4Low70 Ų7069 Ų6949%0.4953%0.527SS..  trans-139.870.216968.30000111.9S67 G73S67-S71 PolarHBondContact O-N 3.27Å; S67-S71 PolarHBondContact O-OG 3.35Å; S71-G73 PolarHBondContact O-N 3.42Å
72A33.8Very low53.8Low109 Ų10968.2 Ų68.290%0.90152%0.517SS*.  trans-66.873.415900000109.9
73G37Very low56.3Low62 Ų6263.9 Ų63.964%0.63949%0.487SS*.  trans-163.488.7-178.200000110.8S71S71-G73 PolarHBondContact O-N 3.42Å
74G31Very low58.5Low91 Ų9166.2 Ų66.294%0.93850%0.495SS*.  trans-50.6134.3-178.100000113.7
75G42.2Very low61Low54 Ų5464.1 Ų64.156%0.55748%0.477SS*.SBendtrans160.499.7175.200000112R94G75-R94 PolarHBondContact O-NH1 2.73Å
76K55.5Low63.4Low201 Ų20167.9 Ų67.987%0.87448%0.476SS*.SBendtrans38.486.7169.5-154.6171.1-173.71710113.4G78K76-G78 PolarHBondContact O-N 3.28Å
77A62.2Low65.7Low113 Ų11368.7 Ų68.793%0.93448%0.482SS*.  trans-4085.3-170.800000114.8
78G70.8Confident68Low16 Ų1669.3 Ų69.317%0.16549%0.493CS..  trans-114.8127.7169.400000108K76 Y95 S96K76-G78 PolarHBondContact O-N 3.28Å; G78-Y95 CarbonylContact C-O 3.37Å; G78-Y95 VanDerWaalsContact CA-O 3.29Å; G78-Y95 WeakPolarHBondContact CA-O 3.04Å; G78-S96 WeakPolarHBondContact CA-OG 3.42Å
79L87.1Confident70.6Confident22 Ų2270 Ų7012%0.11548%0.483CS..EExtended strand (participates in β ladder)trans-69.4144.7176.1174.973.6000110.7L59 A63 L81 R94 Y95L59-L79 HydrophobicContact CB-CD2 3.3Å; L59-L79 HydrophobicContact CD1-CD2 3.64Å; L59-L79 HydrophobicContact CD2-CD2 3.94Å; L59-L79 HydrophobicContact CG-CD2 3.78Å; A63-L79 HydrophobicContact CB-CD1 3.5Å; A63-L79 HydrophobicContact CB-CD2 4.42Å; L79-L81 HydrophobicContact CD2-CD2 3.49Å; L79-L81 VanDerWaalsContact CD2-CD2 3.49Å; L79-L81 HydrophobicContact CD2-CG 4.13Å; L79-L81 HydrophobicContact CG-CD2 4.14Å; L79-R94 CarbonylContact O-C 3.58Å; L79-R94 WeakPolarHBondContact O-CA 3.38Å; L79-Y95 HydrophobicContact CD2-CD1 4.42Å; L79-Y95 PolarHBondContact N-O 3.04Å; L79-Y95 PolarHBondContact O-N 3.46Å
80V91.6Very high73.2Confident53 Ų5368.2 Ų68.232%0.32147%0.474SS..EExtended strand (participates in β ladder)trans-98.8114.2170.3-178.60000109.9R92 F93V80-R92 HydrophobicContact CG1-CB 4Å; V80-F93 CarbonylContact C-O 3.52Å; V80-F93 WeakPolarHBondContact CA-O 3.21Å
81L92.2Very high75.7Confident4 Ų465 Ų652%0.02145%0.445CS..EExtended strand (participates in β ladder)trans-92.1137.3172.8-63.3179.6000110.5F56 L59 L79 F83 R92 F93 Y95 M106 F138F56-L81 HydrophobicContact CD1-CD1 4.36Å; F56-L81 HydrophobicContact CE1-CD1 4.13Å; L59-L81 HydrophobicContact CD1-CD2 3.55Å; L59-L81 HydrophobicContact CD2-CD2 3.96Å; L59-L81 HydrophobicContact CG-CD2 4.34Å; L79-L81 HydrophobicContact CD2-CD2 3.49Å; L79-L81 VanDerWaalsContact CD2-CD2 3.49Å; L79-L81 HydrophobicContact CD2-CG 4.13Å; L79-L81 HydrophobicContact CG-CD2 4.14Å; L81-F83 HydrophobicContact CB-CD2 4.1Å; L81-F83 HydrophobicContact CB-CE2 3.45Å; L81-F83 VanDerWaalsContact CB-CE2 3.45Å; L81-F83 HydrophobicContact CB-CZ 4.26Å; L81-F83 HydrophobicContact CD1-CE2 3.92Å; L81-F83 HydrophobicContact CD1-CZ 4.06Å; L81-F83 HydrophobicContact CG-CE2 4.31Å; L81-R92 CarbonylContact O-C 3.47Å; L81-R92 VanDerWaalsContact O-CA 3.28Å; L81-R92 WeakPolarHBondContact O-CA 3.46Å; L81-F93 PolarHBondContact N-O 2.84Å; L81-F93 PolarHBondContact O-N 3.42Å; L81-Y95 HydrophobicContact CD1-CD1 4.32Å; L81-Y95 HydrophobicContact CD1-CD2 4.06Å; L81-Y95 HydrophobicContact CD1-CG 3.8Å; L81-Y95 HydrophobicContact CG-CG 4.42Å; L81-M106 HydrophobicContact CD1-CE 4.09Å; L81-F138 HydrophobicContact CD2-CE2 4.35Å
82S94.2Very high78.3Confident61 Ų6169.6 Ų69.643%0.42745%0.452SS..EExtended strand (participates in β ladder)trans-111.8119175.3-167.30000109.5W91S82-W91 WeakPolarHBondContact CA-O 3.28Å
83F95.2Very high81.2Confident1 Ų164.4 Ų64.40%0.00441%0.409CS..EExtended strand (participates in β ladder)trans-113.4144.8176.3-66-98.6000110.3F56 L81 A90 W91 F93 M106 F127 F138 I140F56-F83 HydrophobicContact CE1-CZ 4.12Å; F56-F83 HydrophobicContact CZ-CE1 4.42Å; F56-F83 AromaticContact CZ-CZ 3.97Å; F56-F83 HydrophobicContact CZ-CZ 3.97Å; L81-F83 HydrophobicContact CB-CD2 4.1Å; L81-F83 HydrophobicContact CB-CE2 3.45Å; L81-F83 VanDerWaalsContact CB-CE2 3.45Å; L81-F83 HydrophobicContact CB-CZ 4.26Å; L81-F83 HydrophobicContact CD1-CE2 3.92Å; L81-F83 HydrophobicContact CD1-CZ 4.06Å; L81-F83 HydrophobicContact CG-CE2 4.31Å; F83-A90 CarbonylContact O-C 3.59Å; F83-A90 WeakPolarHBondContact O-CA 2.76Å; F83-W91 HydrophobicContact CB-CB 4.47Å; F83-W91 PolarHBondContact N-O 3.14Å; F83-W91 PolarHBondContact O-N 2.83Å; F83-F93 HydrophobicContact CB-CE2 4.33Å; F83-F93 AromaticContact CD2-CD2 3.43Å; F83-F93 HydrophobicContact CD2-CD2 3.43Å; F83-F93 VanDerWaalsContact CD2-CD2 3.43Å; F83-F93 AromaticContact CD2-CE2 3.74Å; F83-F93 HydrophobicContact CD2-CE2 3.74Å; F83-F93 AromaticContact CE2-CD2 3.77Å; F83-F93 HydrophobicContact CE2-CD2 3.77Å; F83-F93 HydrophobicContact CE2-CE2 4.38Å; F83-F93 HydrophobicContact CG-CD2 4.37Å; F83-F93 HydrophobicContact CG-CE2 4.25Å; F83-M106 HydrophobicContact CE2-CE 3.93Å; F83-M106 HydrophobicContact CE2-SD 4.44Å; F83-M106 HydrophobicContact CZ-CE 3.84Å; F83-F127 HydrophobicContact CD1-CD1 4.17Å; F83-F127 AromaticContact CE1-CD1 3.6Å; F83-F127 HydrophobicContact CE1-CD1 3.6Å; F83-F127 HydrophobicContact CE1-CE1 4.19Å; F83-F127 HydrophobicContact CZ-CD1 4.02Å; F83-F127 HydrophobicContact CZ-CE1 4.26Å; F83-F138 CarbonylContact C-O 3.6Å; F83-F138 VanDerWaalsContact CA-O 3.29Å; F83-F138 WeakPolarHBondContact CA-O 3.24Å; F83-F138 HydrophobicContact CD1-CB 3.34Å; F83-F138 HydrophobicContact CD1-CG 4.39Å; F83-F138 HydrophobicContact CE1-CB 3.44Å; F83-F138 VanDerWaalsContact CE1-CB 3.44Å; F83-F138 HydrophobicContact CE1-CD1 4.43Å; F83-F138 HydrophobicContact CE1-CG 4.05Å; F83-F138 HydrophobicContact CG-CB 3.97Å; F83-F138 HydrophobicContact CZ-CB 4.18Å; F83-F138 HydrophobicContact CZ-CG 4.45Å; F83-I140 HydrophobicContact CB-CB 3.85Å; F83-I140 HydrophobicContact CB-CG2 3.58Å; F83-I140 HydrophobicContact CD1-CB 4.14Å; F83-I140 HydrophobicContact CG-CB 4.22Å; F83-I140 HydrophobicContact CG-CG2 4.44Å
84E95.8Very high83.9Confident62 Ų6265.4 Ų65.429%0.2939%0.394SS..EExtended strand (participates in β ladder)trans-106.6133.3173.3-169.2-179.2149.800110.1G88 K89 F138 F139 I140E84-G88 WeakPolarHBondContact OE1-CA 3.4Å; E84-K89 WeakPolarHBondContact CA-O 3.29Å; E84-F138 PolarHBondContact N-O 3.14Å; E84-F139 HydrophobicContact CB-CD1 3.78Å; E84-F139 HydrophobicContact CB-CE1 3.94Å; E84-F139 HydrophobicContact CG-CD1 4.45Å; E84-F139 HydrophobicContact CG-CE1 4.38Å; E84-F139 CarbonylContact O-C 3.55Å; E84-F139 WeakPolarHBondContact O-CA 3.42Å; E84-I140 PolarHBondContact O-N 3.45Å
85D94.8Very high86.8Confident3 Ų361.6 Ų61.62%0.01635%0.351CS..  trans-87.3176.7176.173.213.9000113.3A87 G88 K89 W91 K117 I140D85-A87 PolarHBondContact O-N 3.05Å; D85-A87 VanDerWaalsContact O-N 3.09Å; D85-A87 VanDerWaalsContact OD1-CA 3.28Å; D85-A87 WeakPolarHBondContact OD1-CA 3.45Å; D85-A87 WeakPolarHBondContact OD1-CB 3.47Å; D85-A87 PolarHBondContact OD1-N 2.99Å; D85-G88 PolarHBondContact O-N 2.98Å; D85-G88 PolarHBondContact OD1-N 2.91Å; D85-G88 VanDerWaalsContact OD1-N 3.13Å; D85-K89 PolarHBondContact N-O 3.38Å; D85-K89 WeakPolarHBondContact OD1-CB 3.48Å; D85-K89 PolarHBondContact OD1-N 2.82Å; D85-W91 PolarHBondContact OD2-NE1 2.73Å; D85-K117 WeakPolarHBondContact OD2-CE 3.43Å; D85-K117 IonicContact OD2-NZ 2.64Å; D85-K117 PolarHBondContact OD2-NZ 3.23Å; D85-I140 VanDerWaalsContact CA-O 3.27Å; D85-I140 WeakPolarHBondContact CA-O 3.47Å; D85-I140 HydrophobicContact CB-CG2 4.38Å
86R91.6Very high89.1Confident154 Ų15460.3 Ų60.358%0.58133%0.334SS*.THydrogen-bonded Turntrans-60.7-16.1176.673.3-177.4-173.2-150.17.5114.9W23 D141W23-R86 HydrophobicContact CZ2-CB 4.36Å; R86-D141 WeakPolarHBondContact CD-OD2 3.32Å; R86-D141 IonicContact NH1-OD1 2.7Å; R86-D141 PolarHBondContact NH1-OD1 2.73Å
87A92.7Very high90.8Very high79 Ų7955.2 Ų55.265%0.65331%0.31SS*.THydrogen-bonded Turntrans-96517700000112.3D85 K89D85-A87 PolarHBondContact O-N 3.05Å; D85-A87 VanDerWaalsContact O-N 3.09Å; D85-A87 VanDerWaalsContact OD1-CA 3.28Å; D85-A87 WeakPolarHBondContact OD1-CA 3.45Å; D85-A87 WeakPolarHBondContact OD1-CB 3.47Å; D85-A87 PolarHBondContact OD1-N 2.99Å; A87-K89 VanDerWaalsContact C-N 3.27Å; A87-K89 PolarHBondContact O-N 3.34Å
88G92.4Very high92.1Very high44 Ų4455.6 Ų55.645%0.45429%0.287SS..SBendtrans78.47.7-176.900000114E84 D85E84-G88 WeakPolarHBondContact OE1-CA 3.4Å; D85-G88 PolarHBondContact O-N 2.98Å; D85-G88 PolarHBondContact OD1-N 2.91Å; D85-G88 VanDerWaalsContact OD1-N 3.13Å
89K96.2Very high92.8Very high87 Ų8760.8 Ų60.838%0.37831%0.311SS..  trans-81.8131-178.3-174.3174.6-175.2169.40110.9E84 D85 A87 W91 E116E84-K89 WeakPolarHBondContact CA-O 3.29Å; D85-K89 PolarHBondContact N-O 3.38Å; D85-K89 WeakPolarHBondContact OD1-CB 3.48Å; D85-K89 PolarHBondContact OD1-N 2.82Å; A87-K89 VanDerWaalsContact C-N 3.27Å; A87-K89 PolarHBondContact O-N 3.34Å; K89-W91 HydrophobicContact CD-CH2 4.4Å; K89-W91 HydrophobicContact CD-CZ2 3.76Å; K89-W91 HydrophobicContact CG-CZ2 4.44Å; K89-W91 PolarHBondContact O-NE1 3.43Å; K89-E116 VanDerWaalsContact CD-OE1 3.3Å; K89-E116 WeakPolarHBondContact CD-OE1 3.31Å; K89-E116 IonicContact NZ-OE1 3.81Å; K89-E116 PolarHBondContact NZ-OE1 2.82Å; K89-E116 IonicContact NZ-OE2 3.47Å; K89-E116 PolarHBondContact NZ-OE2 2.91Å
90A95.5Very high92.9Very high67 Ų6764.7 Ų64.755%0.55434%0.34SS*.EExtended strand (participates in β ladder)trans-81.2130.517600000112.6F83F83-A90 CarbonylContact O-C 3.59Å; F83-A90 WeakPolarHBondContact O-CA 2.76Å
91W96.7Very high92.8Very high11 Ų1164.8 Ų64.84%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-119112.5180-64.797.2000109.8S82 F83 D85 K89 F93 R112 F113 E116 I140S82-W91 WeakPolarHBondContact CA-O 3.28Å; F83-W91 HydrophobicContact CB-CB 4.47Å; F83-W91 PolarHBondContact N-O 3.14Å; F83-W91 PolarHBondContact O-N 2.83Å; D85-W91 PolarHBondContact OD2-NE1 2.73Å; K89-W91 HydrophobicContact CD-CH2 4.4Å; K89-W91 HydrophobicContact CD-CZ2 3.76Å; K89-W91 HydrophobicContact CG-CZ2 4.44Å; K89-W91 PolarHBondContact O-NE1 3.43Å; W91-F93 HydrophobicContact CB-CE1 4.33Å; W91-F93 HydrophobicContact CB-CE2 3.81Å; W91-F93 HydrophobicContact CB-CZ 3.61Å; W91-F93 HydrophobicContact CG-CZ 4.32Å; W91-R112 HydrophobicContact CZ3-CB 3.97Å; W91-F113 HydrophobicContact CD2-CB 4.35Å; W91-F113 AromaticContact CD2-CD2 3.6Å; W91-F113 HydrophobicContact CD2-CD2 3.6Å; W91-F113 HydrophobicContact CD2-CE2 4.42Å; W91-F113 HydrophobicContact CD2-CG 4.44Å; W91-F113 AromaticContact CE2-CD2 3.58Å; W91-F113 HydrophobicContact CE3-CB 3.8Å; W91-F113 AromaticContact CE3-CD2 3.92Å; W91-F113 HydrophobicContact CE3-CD2 3.92Å; W91-F113 HydrophobicContact CE3-CG 4.37Å; W91-F113 HydrophobicContact CG-CD2 4.05Å; W91-F113 HydrophobicContact CH2-CB 4.38Å; W91-F113 HydrophobicContact CH2-CD2 4.17Å; W91-F113 AromaticContact CZ2-CD2 3.87Å; W91-F113 HydrophobicContact CZ2-CD2 3.87Å; W91-F113 HydrophobicContact CZ3-CB 3.84Å; W91-F113 HydrophobicContact CZ3-CD2 4.21Å; W91-F113 VanDerWaalsContact CZ3-N 3.33Å; W91-F113 AromaticContact NE1-CD2 3.99Å; W91-E116 HydrophobicContact CH2-CB 3.76Å; W91-E116 VanDerWaalsContact CH2-CD 3.4Å; W91-E116 HydrophobicContact CH2-CG 4.08Å; W91-E116 VanDerWaalsContact CH2-OE2 3.28Å; W91-E116 WeakPolarHBondContact CH2-OE2 3.43Å; W91-E116 HydrophobicContact CZ2-CB 4.45Å; W91-E116 HydrophobicContact CZ2-CG 4.43Å; W91-E116 WeakPolarHBondContact CZ2-OE1 3.5Å; W91-I140 HydrophobicContact CG-CG2 4.41Å
92R95.7Very high92.7Very high167 Ų16770.2 Ų70.263%0.6337%0.369SS*.EExtended strand (participates in β ladder)trans-99.6113.4-178.6-63.9178.376.91805.6110.5V80 L81V80-R92 HydrophobicContact CG1-CB 4Å; L81-R92 CarbonylContact O-C 3.47Å; L81-R92 VanDerWaalsContact O-CA 3.28Å; L81-R92 WeakPolarHBondContact O-CA 3.46Å
93F94.5Very high92.5Very high0 Ų068.8 Ų68.80%036%0.358CS..EExtended strand (participates in β ladder)trans-108.1132179.6-55.6-58.6000112V80 L81 F83 W91 Y95 M106 K108 G109 W110 F113 I140V80-F93 CarbonylContact C-O 3.52Å; V80-F93 WeakPolarHBondContact CA-O 3.21Å; L81-F93 PolarHBondContact N-O 2.84Å; L81-F93 PolarHBondContact O-N 3.42Å; F83-F93 HydrophobicContact CB-CE2 4.33Å; F83-F93 AromaticContact CD2-CD2 3.43Å; F83-F93 HydrophobicContact CD2-CD2 3.43Å; F83-F93 VanDerWaalsContact CD2-CD2 3.43Å; F83-F93 AromaticContact CD2-CE2 3.74Å; F83-F93 HydrophobicContact CD2-CE2 3.74Å; F83-F93 AromaticContact CE2-CD2 3.77Å; F83-F93 HydrophobicContact CE2-CD2 3.77Å; F83-F93 HydrophobicContact CE2-CE2 4.38Å; F83-F93 HydrophobicContact CG-CD2 4.37Å; F83-F93 HydrophobicContact CG-CE2 4.25Å; W91-F93 HydrophobicContact CB-CE1 4.33Å; W91-F93 HydrophobicContact CB-CE2 3.81Å; W91-F93 HydrophobicContact CB-CZ 3.61Å; W91-F93 HydrophobicContact CG-CZ 4.32Å; F93-Y95 PolarHBondContact O-N 2.98Å; F93-M106 HydrophobicContact CB-CB 4.18Å; F93-M106 HydrophobicContact CB-CG 4.22Å; F93-M106 HydrophobicContact CB-SD 4.04Å; F93-M106 HydrophobicContact CD2-SD 3.85Å; F93-M106 HydrophobicContact CG-SD 4.05Å; F93-K108 CarbonylContact C-O 3.48Å; F93-K108 WeakPolarHBondContact CA-O 3.32Å; F93-G109 VanDerWaalsContact CE1-C 3.47Å; F93-W110 HydrophobicContact CD1-CB 4.44Å; F93-F113 HydrophobicContact CE1-CB 4.04Å; F93-F113 HydrophobicContact CZ-CB 4.03Å; F93-F113 HydrophobicContact CZ-CD2 4.47Å; F93-F113 HydrophobicContact CZ-CG 4.19Å; F93-I140 HydrophobicContact CE2-CD1 3.76Å; F93-I140 HydrophobicContact CZ-CD1 4Å
94R93.1Very high92.5Very high84 Ų8470.6 Ų70.632%0.31737%0.366SS..EExtended strand (participates in β ladder)trans-77.5110.8165.9179.3-179.4-69.8-105.4-0.5108.7G75 L79 M106 T107 K108G75-R94 PolarHBondContact O-NH1 2.73Å; L79-R94 CarbonylContact O-C 3.58Å; L79-R94 WeakPolarHBondContact O-CA 3.38Å; R94-M106 WeakPolarHBondContact O-CA 3.47Å; R94-T107 PolarHBondContact O-N 2.79Å; R94-T107 PolarHBondContact O-OG1 3.09Å; R94-K108 HydrophobicContact CB-CB 3.81Å; R94-K108 PolarHBondContact N-O 3.45Å
95Y93Very high92.4Very high10 Ų1068 Ų684%0.03935%0.353CS..EExtended strand (participates in β ladder)trans-93.7133.1175.7-174.7-111.9000110I47 A52 F56 G78 L79 L81 F93 Y104 V105 M106I47-Y95 HydrophobicContact CG1-CE2 4.31Å; A52-Y95 VanDerWaalsContact CB-OH 3.22Å; A52-Y95 WeakPolarHBondContact CB-OH 3.41Å; F56-Y95 HydrophobicContact CB-CE1 4.48Å; F56-Y95 HydrophobicContact CD2-CE2 4.48Å; G78-Y95 CarbonylContact C-O 3.37Å; G78-Y95 VanDerWaalsContact CA-O 3.29Å; G78-Y95 WeakPolarHBondContact CA-O 3.04Å; L79-Y95 HydrophobicContact CD2-CD1 4.42Å; L79-Y95 PolarHBondContact N-O 3.04Å; L79-Y95 PolarHBondContact O-N 3.46Å; L81-Y95 HydrophobicContact CD1-CD1 4.32Å; L81-Y95 HydrophobicContact CD1-CD2 4.06Å; L81-Y95 HydrophobicContact CD1-CG 3.8Å; L81-Y95 HydrophobicContact CG-CG 4.42Å; F93-Y95 PolarHBondContact O-N 2.98Å; Y95-Y104 AromaticContact CE1-CD1 3.67Å; Y95-Y104 HydrophobicContact CE1-CD1 3.67Å; Y95-Y104 HydrophobicContact CE1-CE1 4.17Å; Y95-Y104 HydrophobicContact CE1-CG 4.5Å; Y95-Y104 HydrophobicContact CE2-CD1 4.17Å; Y95-Y104 HydrophobicContact CE2-CG 4.28Å; Y95-Y104 AromaticContact CZ-CD1 3.36Å; Y95-Y104 AromaticContact CZ-CG 3.75Å; Y95-Y104 WeakPolarHBondContact OH-CB 3.26Å; Y95-Y104 WeakPolarHBondContact OH-CD1 3.31Å; Y95-V105 CarbonylContact C-O 3.53Å; Y95-V105 WeakPolarHBondContact CA-O 3.33Å; Y95-M106 HydrophobicContact CD2-CE 4.37Å; Y95-M106 HydrophobicContact CD2-CG 4Å
96S90.4Very high92.4Very high28 Ų2867.8 Ų67.820%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-150.2145.1-179.3-57.30000110.7G78 V105G78-S96 WeakPolarHBondContact CA-OG 3.42Å; S96-V105 PolarHBondContact N-O 3.34Å; S96-V105 WeakPolarHBondContact O-CG2 3.45Å; S96-V105 PolarHBondContact O-N 2.94Å
97Y91.3Very high92.5Very high94 Ų9462.5 Ų62.537%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-82.9134.7166.6-176.8-108.1000109.9N99 Q102 Y104Y97-N99 HydrophobicContact CE1-CB 4.43Å; Y97-Q102 VanDerWaalsContact OH-CA 3.31Å; Y97-Q102 WeakPolarHBondContact OH-CA 3.32Å; Y97-Q102 WeakPolarHBondContact OH-CB 3.4Å; Y97-Y104 AromaticContact CD2-CD1 3.85Å; Y97-Y104 HydrophobicContact CD2-CD1 3.85Å; Y97-Y104 HydrophobicContact CD2-CD2 4.1Å; Y97-Y104 AromaticContact CD2-CE1 3.66Å; Y97-Y104 HydrophobicContact CD2-CE1 3.66Å; Y97-Y104 AromaticContact CD2-CE2 3.91Å; Y97-Y104 HydrophobicContact CD2-CE2 3.91Å; Y97-Y104 HydrophobicContact CD2-CG 4.1Å; Y97-Y104 AromaticContact CD2-CZ 3.69Å; Y97-Y104 HydrophobicContact CE2-CE2 4.17Å; Y97-Y104 HydrophobicContact CG-CD1 4.45Å; Y97-Y104 HydrophobicContact CG-CE1 4.2Å
98W89.6Confident92.5Very high120 Ų12066.1 Ų66.146%0.45534%0.338SS..EExtended strand (participates in β ladder)trans-113.7107.8178.7-148.319.1000109.9S100 S101 Q102 S103W98-S100 PolarHBondContact O-N 3.06Å; W98-S101 PolarHBondContact O-N 3.33Å; W98-Q102 WeakPolarHBondContact O-CA 3.46Å; W98-Q102 PolarHBondContact O-N 3.26Å; W98-S103 PolarHBondContact N-O 2.9Å; W98-S103 PolarHBondContact O-N 3.15Å
99N85.9Confident92.6Very high126 Ų12664.6 Ų64.667%0.67432%0.323SS*.G310 helixtrans-61.9-43.3-168.2-168.967.1000113.6Y97 S101 Q102Y97-N99 HydrophobicContact CE1-CB 4.43Å; N99-S101 VanDerWaalsContact C-N 3.28Å; N99-S101 PolarHBondContact O-N 3.44Å; N99-Q102 WeakPolarHBondContact O-CG 3.28Å; N99-Q102 PolarHBondContact O-N 2.94Å; N99-Q102 VanDerWaalsContact O-N 3.14Å
100S89Confident92.6Very high103 Ų10360.5 Ų60.572%0.7231%0.305SS*.G310 helixtrans-63.4-32.9-174.856.50000113.6W98W98-S100 PolarHBondContact O-N 3.06Å
101S88.7Confident92.6Very high56 Ų5659 Ų5939%0.39229%0.291SS..G310 helixtrans-104.73.5177.868.60000112.7W98 N99 S103W98-S101 PolarHBondContact O-N 3.33Å; N99-S101 VanDerWaalsContact C-N 3.28Å; N99-S101 PolarHBondContact O-N 3.44Å; S101-S103 PolarHBondContact O-N 3.48Å; S101-S103 PolarHBondContact O-OG 2.99Å; S101-S103 WeakPolarHBondContact OG-CB 3.38Å
102Q89.6Confident92.6Very high118 Ų11867.5 Ų67.555%0.55132%0.323SS*.THydrogen-bonded Turntrans43.441.7-173.5-59.8-172.5-4900114Y97 W98 N99Y97-Q102 VanDerWaalsContact OH-CA 3.31Å; Y97-Q102 WeakPolarHBondContact OH-CA 3.32Å; Y97-Q102 WeakPolarHBondContact OH-CB 3.4Å; W98-Q102 WeakPolarHBondContact O-CA 3.46Å; W98-Q102 PolarHBondContact O-N 3.26Å; N99-Q102 WeakPolarHBondContact O-CG 3.28Å; N99-Q102 PolarHBondContact O-N 2.94Å; N99-Q102 VanDerWaalsContact O-N 3.14Å
103S91.9Very high92.6Very high30 Ų3059.5 Ų59.521%0.2129%0.293CS..EExtended strand (participates in β ladder)trans-127.6149.6-171.4-62.90000111.1W98 S101W98-S103 PolarHBondContact N-O 2.9Å; W98-S103 PolarHBondContact O-N 3.15Å; S101-S103 PolarHBondContact O-N 3.48Å; S101-S103 PolarHBondContact O-OG 2.99Å; S101-S103 WeakPolarHBondContact OG-CB 3.38Å
104Y93.8Very high92.7Very high40 Ų4060.2 Ų60.216%0.15730%0.297CS..EExtended strand (participates in β ladder)trans-90.8138.6172.4-66.7-87.8000110.2I47 K49 A52 E53 Y95 Y97I47-Y104 PolarHBondContact N-O 2.68Å; K49-Y104 HydrophobicContact CG-CE2 4.3Å; A52-Y104 HydrophobicContact CB-CD1 4.43Å; A52-Y104 HydrophobicContact CB-CD2 3.2Å; A52-Y104 HydrophobicContact CB-CE2 3.67Å; A52-Y104 HydrophobicContact CB-CG 3.63Å; E53-Y104 HydrophobicContact CG-CE2 4.15Å; Y95-Y104 AromaticContact CE1-CD1 3.67Å; Y95-Y104 HydrophobicContact CE1-CD1 3.67Å; Y95-Y104 HydrophobicContact CE1-CE1 4.17Å; Y95-Y104 HydrophobicContact CE1-CG 4.5Å; Y95-Y104 HydrophobicContact CE2-CD1 4.17Å; Y95-Y104 HydrophobicContact CE2-CG 4.28Å; Y95-Y104 AromaticContact CZ-CD1 3.36Å; Y95-Y104 AromaticContact CZ-CG 3.75Å; Y95-Y104 WeakPolarHBondContact OH-CB 3.26Å; Y95-Y104 WeakPolarHBondContact OH-CD1 3.31Å; Y97-Y104 AromaticContact CD2-CD1 3.85Å; Y97-Y104 HydrophobicContact CD2-CD1 3.85Å; Y97-Y104 HydrophobicContact CD2-CD2 4.1Å; Y97-Y104 AromaticContact CD2-CE1 3.66Å; Y97-Y104 HydrophobicContact CD2-CE1 3.66Å; Y97-Y104 AromaticContact CD2-CE2 3.91Å; Y97-Y104 HydrophobicContact CD2-CE2 3.91Å; Y97-Y104 HydrophobicContact CD2-CG 4.1Å; Y97-Y104 AromaticContact CD2-CZ 3.69Å; Y97-Y104 HydrophobicContact CE2-CE2 4.17Å; Y97-Y104 HydrophobicContact CG-CD1 4.45Å; Y97-Y104 HydrophobicContact CG-CE1 4.2Å
105V94.1Very high92.8Very high6 Ų664 Ų644%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-131.5139.4-176.7-63.70000111.8L45 V46 Y95 S96 T107L45-V105 CarbonylContact O-C 3.56Å; L45-V105 VanDerWaalsContact O-CA 3.31Å; L45-V105 WeakPolarHBondContact O-CA 3.48Å; V46-V105 HydrophobicContact CG2-CG1 4.25Å; Y95-V105 CarbonylContact C-O 3.53Å; Y95-V105 WeakPolarHBondContact CA-O 3.33Å; S96-V105 PolarHBondContact N-O 3.34Å; S96-V105 WeakPolarHBondContact O-CG2 3.45Å; S96-V105 PolarHBondContact O-N 2.94Å; V105-T107 HydrophobicContact CB-CG2 4.47Å; V105-T107 HydrophobicContact CG2-CG2 4.03Å
106M94.6Very high93Very high0 Ų067.9 Ų67.90%033%0.334CS..EExtended strand (participates in β ladder)trans-100.5123.2163.4-64.2-175.7-17200108.9R44 L45 I47 F56 L81 F83 F93 R94 Y95 F127R44-M106 WeakPolarHBondContact CA-O 3.37Å; L45-M106 HydrophobicContact CB-CB 4.28Å; L45-M106 HydrophobicContact CD2-SD 4.43Å; L45-M106 PolarHBondContact N-O 3.13Å; L45-M106 PolarHBondContact O-N 2.93Å; I47-M106 HydrophobicContact CD1-CE 4Å; I47-M106 HydrophobicContact CD1-CG 4.48Å; I47-M106 HydrophobicContact CD1-SD 4.37Å; I47-M106 HydrophobicContact CG1-CE 4.19Å; I47-M106 HydrophobicContact CG1-CG 4.34Å; F56-M106 HydrophobicContact CE2-CE 4.48Å; F56-M106 HydrophobicContact CZ-CE 4.4Å; L81-M106 HydrophobicContact CD1-CE 4.09Å; F83-M106 HydrophobicContact CE2-CE 3.93Å; F83-M106 HydrophobicContact CE2-SD 4.44Å; F83-M106 HydrophobicContact CZ-CE 3.84Å; F93-M106 HydrophobicContact CB-CB 4.18Å; F93-M106 HydrophobicContact CB-CG 4.22Å; F93-M106 HydrophobicContact CB-SD 4.04Å; F93-M106 HydrophobicContact CD2-SD 3.85Å; F93-M106 HydrophobicContact CG-SD 4.05Å; R94-M106 WeakPolarHBondContact O-CA 3.47Å; Y95-M106 HydrophobicContact CD2-CE 4.37Å; Y95-M106 HydrophobicContact CD2-CG 4Å; M106-F127 HydrophobicContact CE-CE1 3.87Å; M106-F127 HydrophobicContact CE-CZ 4.38Å; M106-F127 HydrophobicContact SD-CE1 4.19Å; M106-F127 HydrophobicContact SD-CZ 4.47Å
107T93.9Very high93.2Very high42 Ų4268 Ų6826%0.25833%0.331SS..  trans-112.2-94.7-173.354.80000111.3R44 R94 V105 G109 W110R44-T107 HydrophobicContact CB-CG2 4.33Å; R94-T107 PolarHBondContact O-N 2.79Å; R94-T107 PolarHBondContact O-OG1 3.09Å; V105-T107 HydrophobicContact CB-CG2 4.47Å; V105-T107 HydrophobicContact CG2-CG2 4.03Å; T107-G109 PolarHBondContact O-N 2.99Å; T107-W110 VanDerWaalsContact O-CB 3.26Å; T107-W110 WeakPolarHBondContact O-CB 3.19Å; T107-W110 PolarHBondContact O-N 2.83Å
108K92.2Very high93.4Very high155 Ų15573.3 Ų73.367%0.67435%0.351SS*.THydrogen-bonded Turntrans-51.6133.9179.3-174.2177.4-178.7172.80109.4F93 R94F93-K108 CarbonylContact C-O 3.48Å; F93-K108 WeakPolarHBondContact CA-O 3.32Å; R94-K108 HydrophobicContact CB-CB 3.81Å; R94-K108 PolarHBondContact N-O 3.45Å
109G94.8Very high93.7Very high13 Ų1368.2 Ų68.213%0.13433%0.332CS..THydrogen-bonded Turntrans94.4-31.4-178.700000114.1F93 T107 S111 R112 F113F93-G109 VanDerWaalsContact CE1-C 3.47Å; T107-G109 PolarHBondContact O-N 2.99Å; G109-S111 PolarHBondContact O-N 2.86Å; G109-R112 WeakPolarHBondContact O-CB 3.28Å; G109-R112 PolarHBondContact O-N 2.64Å; G109-R112 VanDerWaalsContact O-N 3.15Å; G109-F113 PolarHBondContact O-N 3.47Å
110W97.2Very high94.1Very high0 Ų063.6 Ų63.60%031%0.314CS..Hα-helixtrans-60.7-47.7-175.6171-112.2000112.7V34 D38 N43 L45 F93 T107 R112 F113 V114 L119 V125V34-W110 HydrophobicContact CG2-CH2 4.44Å; D38-W110 HydrophobicContact CB-CZ2 4.27Å; D38-W110 PolarHBondContact O-NE1 3.25Å; N43-W110 VanDerWaalsContact C-CD1 3.46Å; L45-W110 HydrophobicContact CB-CD2 3.73Å; L45-W110 HydrophobicContact CB-CE3 4Å; L45-W110 HydrophobicContact CB-CG 4.17Å; L45-W110 HydrophobicContact CB-CH2 4.39Å; L45-W110 HydrophobicContact CB-CZ2 4.13Å; L45-W110 HydrophobicContact CB-CZ3 4.32Å; L45-W110 HydrophobicContact CD1-CH2 3.98Å; L45-W110 HydrophobicContact CD1-CZ2 3.95Å; L45-W110 HydrophobicContact CD1-CZ3 4.48Å; L45-W110 HydrophobicContact CD2-CE3 4.07Å; L45-W110 HydrophobicContact CD2-CH2 4.11Å; L45-W110 HydrophobicContact CD2-CZ3 3.79Å; L45-W110 HydrophobicContact CG-CH2 4.4Å; L45-W110 HydrophobicContact CG-CZ2 4.47Å; L45-W110 HydrophobicContact CG-CZ3 4.44Å; F93-W110 HydrophobicContact CD1-CB 4.44Å; T107-W110 VanDerWaalsContact O-CB 3.26Å; T107-W110 WeakPolarHBondContact O-CB 3.19Å; T107-W110 PolarHBondContact O-N 2.83Å; W110-R112 PolarHBondContact O-N 3.38Å; W110-F113 HydrophobicContact CE3-CD1 4.05Å; W110-F113 HydrophobicContact CH2-CD1 4.34Å; W110-F113 AromaticContact CZ3-CD1 3.57Å; W110-F113 HydrophobicContact CZ3-CD1 3.57Å; W110-F113 HydrophobicContact CZ3-CE1 4.09Å; W110-F113 WeakPolarHBondContact O-CB 3.26Å; W110-F113 PolarHBondContact O-N 2.98Å; W110-V114 HydrophobicContact CD2-CG2 3.87Å; W110-V114 HydrophobicContact CE3-CG2 4.38Å; W110-V114 HydrophobicContact CG-CG2 4.42Å; W110-V114 HydrophobicContact CH2-CG2 3.93Å; W110-V114 HydrophobicContact CZ2-CG2 3.37Å; W110-V114 HydrophobicContact CZ3-CG2 4.41Å; W110-V114 PolarHBondContact O-N 2.78Å; W110-L119 HydrophobicContact CH2-CD1 3.93Å; W110-L119 HydrophobicContact CZ3-CD1 4.37Å; W110-V125 HydrophobicContact CH2-CG2 3.98Å; W110-V125 HydrophobicContact CZ3-CG2 4.34Å
111S95Very high94.4Very high37 Ų3760.6 Ų60.626%0.25930%0.296SS..Hα-helixtrans-60.3-29178.659.10000113.8N43 G109 K115N43-S111 WeakPolarHBondContact OD1-CB 3.46Å; G109-S111 PolarHBondContact O-N 2.86Å; S111-K115 WeakPolarHBondContact O-CB 3.16Å; S111-K115 VanDerWaalsContact O-CG 3.24Å; S111-K115 WeakPolarHBondContact O-CG 3.35Å; S111-K115 PolarHBondContact O-N 3.33Å; S111-K115 VanDerWaalsContact O-N 3.09Å
112R95.7Very high94.7Very high188 Ų18858.1 Ų58.171%0.70928%0.279SS*.Hα-helixtrans-69.7-43.7174.4-65.8-175.6175.9-172.4-3.6110.7W91 G109 W110 K115 E116W91-R112 HydrophobicContact CZ3-CB 3.97Å; G109-R112 WeakPolarHBondContact O-CB 3.28Å; G109-R112 PolarHBondContact O-N 2.64Å; G109-R112 VanDerWaalsContact O-N 3.15Å; W110-R112 PolarHBondContact O-N 3.38Å; R112-K115 PolarHBondContact O-N 3.28Å; R112-E116 VanDerWaalsContact O-CB 3.3Å; R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 PolarHBondContact O-N 2.89Å
113F96.7Very high95.1Very high0 Ų053.4 Ų53.40%026%0.258CS..Hα-helixtrans-60.7-47.2176.8-176-107.1000111.4W91 F93 G109 W110 K115 E116 K117 L119 V125 I140W91-F113 HydrophobicContact CD2-CB 4.35Å; W91-F113 AromaticContact CD2-CD2 3.6Å; W91-F113 HydrophobicContact CD2-CD2 3.6Å; W91-F113 HydrophobicContact CD2-CE2 4.42Å; W91-F113 HydrophobicContact CD2-CG 4.44Å; W91-F113 AromaticContact CE2-CD2 3.58Å; W91-F113 HydrophobicContact CE3-CB 3.8Å; W91-F113 AromaticContact CE3-CD2 3.92Å; W91-F113 HydrophobicContact CE3-CD2 3.92Å; W91-F113 HydrophobicContact CE3-CG 4.37Å; W91-F113 HydrophobicContact CG-CD2 4.05Å; W91-F113 HydrophobicContact CH2-CB 4.38Å; W91-F113 HydrophobicContact CH2-CD2 4.17Å; W91-F113 AromaticContact CZ2-CD2 3.87Å; W91-F113 HydrophobicContact CZ2-CD2 3.87Å; W91-F113 HydrophobicContact CZ3-CB 3.84Å; W91-F113 HydrophobicContact CZ3-CD2 4.21Å; W91-F113 VanDerWaalsContact CZ3-N 3.33Å; W91-F113 AromaticContact NE1-CD2 3.99Å; F93-F113 HydrophobicContact CE1-CB 4.04Å; F93-F113 HydrophobicContact CZ-CB 4.03Å; F93-F113 HydrophobicContact CZ-CD2 4.47Å; F93-F113 HydrophobicContact CZ-CG 4.19Å; G109-F113 PolarHBondContact O-N 3.47Å; W110-F113 HydrophobicContact CE3-CD1 4.05Å; W110-F113 HydrophobicContact CH2-CD1 4.34Å; W110-F113 AromaticContact CZ3-CD1 3.57Å; W110-F113 HydrophobicContact CZ3-CD1 3.57Å; W110-F113 HydrophobicContact CZ3-CE1 4.09Å; W110-F113 WeakPolarHBondContact O-CB 3.26Å; W110-F113 PolarHBondContact O-N 2.98Å; F113-K115 PolarHBondContact O-N 2.99Å; F113-E116 PolarHBondContact O-N 2.78Å; F113-K117 HydrophobicContact CD2-CG 3.9Å; F113-K117 HydrophobicContact CE2-CG 3.65Å; F113-K117 HydrophobicContact CG-CG 4.45Å; F113-K117 HydrophobicContact CZ-CG 4.01Å; F113-K117 WeakPolarHBondContact O-CB 3.28Å; F113-K117 PolarHBondContact O-N 2.83Å; F113-L119 HydrophobicContact CD1-CD1 3.55Å; F113-L119 HydrophobicContact CE1-CD1 3.46Å; F113-L119 VanDerWaalsContact CE1-CD1 3.46Å; F113-V125 HydrophobicContact CE1-CG1 4.34Å; F113-V125 HydrophobicContact CE1-CG2 4.37Å; F113-I140 HydrophobicContact CD1-CD1 4.19Å; F113-I140 HydrophobicContact CE1-CD1 3.68Å; F113-I140 HydrophobicContact CE1-CG1 4.18Å; F113-I140 HydrophobicContact CE2-CD1 4.08Å; F113-I140 HydrophobicContact CE2-CG1 4.27Å; F113-I140 HydrophobicContact CE2-CG2 4Å; F113-I140 HydrophobicContact CZ-CD1 3.64Å; F113-I140 HydrophobicContact CZ-CG1 3.74Å; F113-I140 HydrophobicContact CZ-CG2 4.32Å
114V96.2Very high95.3Very high15 Ų1552.7 Ų52.79%0.09125%0.252CS..Hα-helixtrans-56.8-49.8175.9171.30000111.8V39 W110 R118 L119V39-V114 HydrophobicContact CB-CG1 4.31Å; V39-V114 HydrophobicContact CG1-CG1 3.8Å; V39-V114 HydrophobicContact CG1-CG2 4.09Å; W110-V114 HydrophobicContact CD2-CG2 3.87Å; W110-V114 HydrophobicContact CE3-CG2 4.38Å; W110-V114 HydrophobicContact CG-CG2 4.42Å; W110-V114 HydrophobicContact CH2-CG2 3.93Å; W110-V114 HydrophobicContact CZ2-CG2 3.37Å; W110-V114 HydrophobicContact CZ3-CG2 4.41Å; W110-V114 PolarHBondContact O-N 2.78Å; V114-R118 VanDerWaalsContact O-CA 3.28Å; V114-R118 WeakPolarHBondContact O-CA 3.46Å; V114-R118 PolarHBondContact O-N 3.36Å; V114-L119 HydrophobicContact CG1-CB 4.32Å; V114-L119 HydrophobicContact CG2-CD1 4.31Å; V114-L119 PolarHBondContact O-N 3.05Å
115K95.4Very high95.5Very high163 Ų16350.8 Ų50.871%0.70925%0.245SC*.Hα-helixtrans-64.6-44-178.3-74.9177.8-179.8-1710112.3S111 R112 F113 R118S111-K115 WeakPolarHBondContact O-CB 3.16Å; S111-K115 VanDerWaalsContact O-CG 3.24Å; S111-K115 WeakPolarHBondContact O-CG 3.35Å; S111-K115 PolarHBondContact O-N 3.33Å; S111-K115 VanDerWaalsContact O-N 3.09Å; R112-K115 PolarHBondContact O-N 3.28Å; F113-K115 PolarHBondContact O-N 2.99Å; K115-R118 PolarHBondContact O-N 2.98Å
116E96.4Very high95.6Very high91 Ų9152.4 Ų52.443%0.42525%0.253SS..Hα-helixtrans-74.9-42.1-175-171.5170.4135.300112.7K89 W91 R112 F113 R118K89-E116 VanDerWaalsContact CD-OE1 3.3Å; K89-E116 WeakPolarHBondContact CD-OE1 3.31Å; K89-E116 IonicContact NZ-OE1 3.81Å; K89-E116 PolarHBondContact NZ-OE1 2.82Å; K89-E116 IonicContact NZ-OE2 3.47Å; K89-E116 PolarHBondContact NZ-OE2 2.91Å; W91-E116 HydrophobicContact CH2-CB 3.76Å; W91-E116 VanDerWaalsContact CH2-CD 3.4Å; W91-E116 HydrophobicContact CH2-CG 4.08Å; W91-E116 VanDerWaalsContact CH2-OE2 3.28Å; W91-E116 WeakPolarHBondContact CH2-OE2 3.43Å; W91-E116 HydrophobicContact CZ2-CB 4.45Å; W91-E116 HydrophobicContact CZ2-CG 4.43Å; W91-E116 WeakPolarHBondContact CZ2-OE1 3.5Å; R112-E116 VanDerWaalsContact O-CB 3.3Å; R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 PolarHBondContact O-N 2.89Å; F113-E116 PolarHBondContact O-N 2.78Å; E116-R118 PolarHBondContact O-N 3.08Å
117K95Very high95.6Very high31 Ų3152.4 Ų52.414%0.13525%0.253CS..Hα-helixtrans-81.4-5.2176.4-59.5-48.3-169.5-172.70113.1D85 F113 L119 F142D85-K117 WeakPolarHBondContact OD2-CE 3.43Å; D85-K117 IonicContact OD2-NZ 2.64Å; D85-K117 PolarHBondContact OD2-NZ 3.23Å; F113-K117 HydrophobicContact CD2-CG 3.9Å; F113-K117 HydrophobicContact CE2-CG 3.65Å; F113-K117 HydrophobicContact CG-CG 4.45Å; F113-K117 HydrophobicContact CZ-CG 4.01Å; F113-K117 WeakPolarHBondContact O-CB 3.28Å; F113-K117 PolarHBondContact O-N 2.83Å; K117-L119 VanDerWaalsContact C-N 3.33Å; K117-L119 HydrophobicContact CB-CD2 4.37Å; K117-L119 HydrophobicContact CB-CG 4.06Å; K117-F142 HydrophobicContact CB-CD1 4.08Å; K117-F142 HydrophobicContact CB-CE1 3.78Å; K117-F142 HydrophobicContact CB-CE2 4.46Å; K117-F142 HydrophobicContact CB-CZ 3.97Å; K117-F142 HydrophobicContact CD-CD1 4.36Å; K117-F142 HydrophobicContact CD-CE1 3.7Å; K117-F142 HydrophobicContact CD-CZ 4.36Å; K117-F142 HydrophobicContact CG-CD1 4.08Å; K117-F142 HydrophobicContact CG-CE1 3.83Å; K117-F142 HydrophobicContact CG-CZ 4.48Å
118R95.4Very high95.6Very high205 Ų20550.7 Ų50.777%0.77424%0.243SC*.THydrogen-bonded Turntrans53.948.4-176.7-57.9177.7177.9-1092.4111.6V114 K115 E116V114-R118 VanDerWaalsContact O-CA 3.28Å; V114-R118 WeakPolarHBondContact O-CA 3.46Å; V114-R118 PolarHBondContact O-N 3.36Å; K115-R118 PolarHBondContact O-N 2.98Å; E116-R118 PolarHBondContact O-N 3.08Å
119L95.6Very high95.6Very high13 Ų1346.2 Ų46.27%0.06822%0.222CC..  trans-71.6133.2-179.3-67.1176.4000111.5W110 F113 V114 K117 D123 V125 F142W110-L119 HydrophobicContact CH2-CD1 3.93Å; W110-L119 HydrophobicContact CZ3-CD1 4.37Å; F113-L119 HydrophobicContact CD1-CD1 3.55Å; F113-L119 HydrophobicContact CE1-CD1 3.46Å; F113-L119 VanDerWaalsContact CE1-CD1 3.46Å; V114-L119 HydrophobicContact CG1-CB 4.32Å; V114-L119 HydrophobicContact CG2-CD1 4.31Å; V114-L119 PolarHBondContact O-N 3.05Å; K117-L119 VanDerWaalsContact C-N 3.33Å; K117-L119 HydrophobicContact CB-CD2 4.37Å; K117-L119 HydrophobicContact CB-CG 4.06Å; L119-D123 HydrophobicContact CD2-CB 4.15Å; L119-V125 HydrophobicContact CD1-CG2 4.03Å; L119-F142 HydrophobicContact CD2-CB 3.61Å; L119-F142 HydrophobicContact CD2-CD2 3.45Å; L119-F142 VanDerWaalsContact CD2-CD2 3.45Å; L119-F142 HydrophobicContact CD2-CE2 4.25Å; L119-F142 HydrophobicContact CD2-CG 3.61Å
120G95.1Very high95.4Very high29 Ų2945.6 Ų45.630%0.29922%0.216SC..  trans-109.1164.6172.900000112.7G122 D123G120-G122 PolarHBondContact O-N 2.98Å; G120-D123 PolarHBondContact N-OD2 3.03Å; G120-D123 PolarHBondContact O-N 3.05Å
121A95Very high94.9Very high40 Ų4047.6 Ų47.633%0.33123%0.232SC..THydrogen-bonded Turntrans-62.1119.5171.300000109.6V34 P36 V39 R145V34-A121 CarbonylContact O-C 3.57Å; P36-A121 HydrophobicContact CB-CB 4.49Å; P36-A121 HydrophobicContact CG-CB 4.05Å; V39-A121 HydrophobicContact CG2-CB 4.1Å; A121-R145 PolarHBondContact O-NH1 3.34Å
122G95.8Very high94.3Very high4 Ų449 Ų494%0.04125%0.252CS..THydrogen-bonded Turntrans110.4-18.6-176.200000117.3V34 G120V34-G122 PolarHBondContact O-N 3.19Å; G120-G122 PolarHBondContact O-N 2.98Å
123D96.6Very high93.6Very high19 Ų1945.5 Ų45.510%0.10226%0.264CS..  trans-63.2155.2170.4-66.3-24000109.2V34 L119 G120 R144 R145V34-D123 WeakPolarHBondContact CB-O 3.16Å; V34-D123 VanDerWaalsContact CG2-O 3.32Å; V34-D123 WeakPolarHBondContact CG2-O 3.19Å; V34-D123 PolarHBondContact N-O 3.14Å; L119-D123 HydrophobicContact CD2-CB 4.15Å; G120-D123 PolarHBondContact N-OD2 3.03Å; G120-D123 PolarHBondContact O-N 3.05Å; D123-R144 WeakPolarHBondContact OD1-CA 3.3Å; D123-R145 PolarHBondContact OD1-N 2.78Å
124T96.8Very high92.9Very high15 Ų1547.5 Ų47.59%0.09228%0.276CS..EExtended strand (participates in β ladder)trans-107.4126.7179.4-54.30000108.6E31 K32 F142 R143E31-T124 HydrophobicContact CB-CG2 3.69Å; E31-T124 HydrophobicContact CG-CG2 4.29Å; K32-T124 WeakPolarHBondContact O-CA 3.03Å; T124-F142 CarbonylContact O-C 3.48Å; T124-F142 WeakPolarHBondContact O-CA 3.35Å; T124-R143 PolarHBondContact N-O 3.17Å; T124-R143 PolarHBondContact O-N 3.1Å
125V97.1Very high92.2Very high0 Ų054.5 Ų54.50%030%0.301CS..EExtended strand (participates in β ladder)trans-96.2131170.5-179.60000108.6E31 K32 V34 W110 F113 L119 F127 I140 D141E31-V125 CarbonylContact C-O 3.52Å; E31-V125 WeakPolarHBondContact CA-O 3.48Å; K32-V125 PolarHBondContact N-O 3.47Å; K32-V125 PolarHBondContact O-N 3Å; V34-V125 HydrophobicContact CG2-CG2 3.64Å; W110-V125 HydrophobicContact CH2-CG2 3.98Å; W110-V125 HydrophobicContact CZ3-CG2 4.34Å; F113-V125 HydrophobicContact CE1-CG1 4.34Å; F113-V125 HydrophobicContact CE1-CG2 4.37Å; L119-V125 HydrophobicContact CD1-CG2 4.03Å; V125-F127 HydrophobicContact CB-CE2 4.09Å; V125-F127 HydrophobicContact CG1-CD2 4.2Å; V125-F127 HydrophobicContact CG1-CE1 4.34Å; V125-F127 HydrophobicContact CG1-CE2 3.51Å; V125-F127 HydrophobicContact CG1-CZ 3.59Å; V125-I140 HydrophobicContact CG1-CD1 3.79Å; V125-I140 HydrophobicContact CG1-CG1 3.73Å; V125-D141 WeakPolarHBondContact CA-O 3.4Å
126L96.4Very high91.6Very high41 Ų4150.1 Ų50.122%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-105.4131.8-179.2-61.487.9000108.9E31 I140 D141 R143E31-L126 HydrophobicContact CG-CD2 4.36Å; E31-L126 HydrophobicContact CG-CG 4.09Å; E31-L126 WeakPolarHBondContact OE1-CD2 3.45Å; L126-I140 WeakPolarHBondContact O-CA 3.3Å; L126-D141 PolarHBondContact N-O 3.09Å; L126-D141 PolarHBondContact O-N 2.79Å; L126-R143 HydrophobicContact CD1-CB 4.05Å
127F95.7Very high91.3Very high0 Ų052.8 Ų52.80%031%0.308CS..EExtended strand (participates in β ladder)trans-114.5132.9175.3-64.7-88000109.5M29 F30 K32 L45 I47 F83 M106 V125 I140M29-F127 WeakPolarHBondContact CA-O 2.92Å; M29-F127 HydrophobicContact CB-CB 4.4Å; M29-F127 VanDerWaalsContact CB-O 3.32Å; M29-F127 WeakPolarHBondContact CB-O 3.46Å; M29-F127 PolarHBondContact N-O 3.02Å; F30-F127 HydrophobicContact CD1-CB 4.13Å; F30-F127 AromaticContact CD2-CD2 3.86Å; F30-F127 HydrophobicContact CD2-CD2 3.86Å; F30-F127 HydrophobicContact CE1-CB 3.81Å; F30-F127 HydrophobicContact CE1-CD2 4.16Å; F30-F127 HydrophobicContact CE1-CG 4.01Å; F30-F127 HydrophobicContact CE2-CB 4.38Å; F30-F127 AromaticContact CE2-CD2 3.25Å; F30-F127 HydrophobicContact CE2-CD2 3.25Å; F30-F127 AromaticContact CE2-CE2 3.66Å; F30-F127 HydrophobicContact CE2-CE2 3.66Å; F30-F127 AromaticContact CE2-CG 3.94Å; F30-F127 HydrophobicContact CE2-CG 3.94Å; F30-F127 HydrophobicContact CZ-CB 3.94Å; F30-F127 HydrophobicContact CZ-CD1 4.28Å; F30-F127 AromaticContact CZ-CD2 3.42Å; F30-F127 HydrophobicContact CZ-CD2 3.42Å; F30-F127 VanDerWaalsContact CZ-CD2 3.42Å; F30-F127 AromaticContact CZ-CE2 3.95Å; F30-F127 HydrophobicContact CZ-CE2 3.95Å; F30-F127 AromaticContact CZ-CG 3.61Å; F30-F127 HydrophobicContact CZ-CG 3.61Å; F30-F127 PolarHBondContact N-O 3.19Å; F30-F127 PolarHBondContact O-N 3.45Å; K32-F127 HydrophobicContact CB-CE2 4.28Å; L45-F127 HydrophobicContact CD2-CE2 4.18Å; L45-F127 HydrophobicContact CD2-CZ 3.61Å; I47-F127 HydrophobicContact CD1-CE2 4.47Å; I47-F127 HydrophobicContact CD1-CZ 4.29Å; F83-F127 HydrophobicContact CD1-CD1 4.17Å; F83-F127 AromaticContact CE1-CD1 3.6Å; F83-F127 HydrophobicContact CE1-CD1 3.6Å; F83-F127 HydrophobicContact CE1-CE1 4.19Å; F83-F127 HydrophobicContact CZ-CD1 4.02Å; F83-F127 HydrophobicContact CZ-CE1 4.26Å; M106-F127 HydrophobicContact CE-CE1 3.87Å; M106-F127 HydrophobicContact CE-CZ 4.38Å; M106-F127 HydrophobicContact SD-CE1 4.19Å; M106-F127 HydrophobicContact SD-CZ 4.47Å; V125-F127 HydrophobicContact CB-CE2 4.09Å; V125-F127 HydrophobicContact CG1-CD2 4.2Å; V125-F127 HydrophobicContact CG1-CE1 4.34Å; V125-F127 HydrophobicContact CG1-CE2 3.51Å; V125-F127 HydrophobicContact CG1-CZ 3.59Å; F127-I140 HydrophobicContact CD1-CG1 4.45Å; F127-I140 HydrophobicContact CE1-CD1 3.82Å; F127-I140 HydrophobicContact CE1-CG1 4.18Å; F127-I140 HydrophobicContact CZ-CD1 4.18Å
128A93.7Very high91.3Very high6 Ų652.8 Ų52.85%0.0531%0.308CS..EExtended strand (participates in β ladder)trans-139.9157.8178.500000111.6W23 K26 E27 F138 F139W23-A128 HydrophobicContact CZ3-CB 4.17Å; K26-A128 HydrophobicContact CB-CB 4.21Å; E27-A128 CarbonylContact O-C 3.59Å; E27-A128 VanDerWaalsContact O-CA 3.28Å; E27-A128 WeakPolarHBondContact O-CA 3.32Å; E27-A128 WeakPolarHBondContact O-CB 3.45Å; A128-F138 CarbonylContact O-C 3.5Å; A128-F138 WeakPolarHBondContact O-CA 3.45Å; A128-F139 HydrophobicContact CB-CB 4.31Å; A128-F139 PolarHBondContact N-O 3.38Å; A128-F139 PolarHBondContact O-N 2.92Å
129R92.4Very high91.3Very high61 Ų6143.6 Ų43.623%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-113.5146174.3-174.2173.566.8-178.7-1.4108.5K26 E27 M29 R135 F138K26-R129 CarbonylContact C-O 3.6Å; K26-R129 WeakPolarHBondContact CA-O 3.32Å; E27-R129 PolarHBondContact N-O 3.49Å; E27-R129 PolarHBondContact O-N 3.12Å; E27-R129 IonicContact OE1-NH2 3.39Å; E27-R129 IonicContact OE2-CZ 3.87Å; E27-R129 VanDerWaalsContact OE2-CZ 3.3Å; E27-R129 IonicContact OE2-NE 3.51Å; E27-R129 PolarHBondContact OE2-NE 2.95Å; E27-R129 VanDerWaalsContact OE2-NE 3.1Å; E27-R129 IonicContact OE2-NH2 3.55Å; E27-R129 PolarHBondContact OE2-NH2 2.7Å; M29-R129 HydrophobicContact CG-CB 4.08Å; M29-R129 HydrophobicContact SD-CB 3.8Å; M29-R129 PolarHBondContact SD-N 3.41Å; M29-R129 VanDerWaalsContact SD-N 3.45Å; R129-R135 WeakPolarHBondContact CD-O 3.11Å; R129-R135 WeakPolarHBondContact CG-O 3.37Å; R129-F138 HydrophobicContact CB-CD1 4.5Å; R129-F138 HydrophobicContact CG-CD1 4.46Å; R129-F138 HydrophobicContact CG-CE1 4.42Å
130G90Very high91.3Very high0 Ų043 Ų430%027%0.271CS..EExtended strand (participates in β ladder)trans-61.3152172.600000112.4T134 R135 R137G130-T134 WeakPolarHBondContact CA-O 3.26Å; G130-T134 WeakPolarHBondContact CA-OG1 3.42Å; G130-R135 VanDerWaalsContact O-CA 3.29Å; G130-R135 WeakPolarHBondContact O-CA 3.28Å; G130-R137 PolarHBondContact N-O 2.94Å
131A86.5Confident91.3Very high42 Ų4242.5 Ų42.535%0.34726%0.261SS..  trans-101.6160.5168.900000110.6E25 A133 T134E25-A131 WeakPolarHBondContact O-CA 3.44Å; E25-A131 WeakPolarHBondContact O-CB 3.27Å; E25-A131 PolarHBondContact O-N 3.38Å; A131-A133 PolarHBondContact O-N 2.8Å; A131-T134 PolarHBondContact N-OG1 3.38Å; A131-T134 PolarHBondContact O-N 3.43Å; A131-T134 VanDerWaalsContact O-N 3.08Å; A131-T134 PolarHBondContact O-OG1 2.83Å
132G83.6Confident91.3Very high65 Ų6541.7 Ų41.767%0.6725%0.25SC*.G310 helixtrans56-123.3176.700000113.3T134 R135G132-T134 PolarHBondContact O-N 2.64Å; G132-T134 VanDerWaalsContact O-N 3.13Å; G132-R135 WeakPolarHBondContact O-CB 3.39Å; G132-R135 PolarHBondContact O-N 3.42Å
133A80Confident91.3Very high116 Ų11647.5 Ų47.596%0.95927%0.27SS*.G310 helixtrans-61.3-19.7-179.300000114A131A131-A133 PolarHBondContact O-N 2.8Å
134T81.6Confident91.2Very high41 Ų4154.1 Ų54.125%0.25229%0.294SS..G310 helixtrans-101.511.7-177.366.10000113.7G130 A131 G132 G136 R137G130-T134 WeakPolarHBondContact CA-O 3.26Å; G130-T134 WeakPolarHBondContact CA-OG1 3.42Å; A131-T134 PolarHBondContact N-OG1 3.38Å; A131-T134 PolarHBondContact O-N 3.43Å; A131-T134 VanDerWaalsContact O-N 3.08Å; A131-T134 PolarHBondContact O-OG1 2.83Å; G132-T134 PolarHBondContact O-N 2.64Å; G132-T134 VanDerWaalsContact O-N 3.13Å; T134-G136 PolarHBondContact O-N 2.81Å; T134-R137 WeakPolarHBondContact O-CB 3.46Å; T134-R137 PolarHBondContact O-N 2.8Å
135R83.1Confident90.9Very high163 Ų16360 Ų6062%0.61531%0.314SS*.THydrogen-bonded Turntrans-55-21.5-173.7-161.5175.7-175.6-172.21.6115.9R129 G130 G132R129-R135 WeakPolarHBondContact CD-O 3.11Å; R129-R135 WeakPolarHBondContact CG-O 3.37Å; G130-R135 VanDerWaalsContact O-CA 3.29Å; G130-R135 WeakPolarHBondContact O-CA 3.28Å; G132-R135 WeakPolarHBondContact O-CB 3.39Å; G132-R135 PolarHBondContact O-N 3.42Å
136G82.8Confident90.2Very high71 Ų7168.1 Ų68.173%0.73235%0.345SS*.THydrogen-bonded Turntrans-84.9-5.5174.500000115.6T134T134-G136 PolarHBondContact O-N 2.81Å
137R90.1Very high88.4Confident147 Ų14773.8 Ų73.856%0.55537%0.37SS*.  trans-98.8143.5-178.1-62.8-177.6-179.5-111.5-2110.8G130 T134 F139G130-R137 PolarHBondContact N-O 2.94Å; T134-R137 WeakPolarHBondContact O-CB 3.46Å; T134-R137 PolarHBondContact O-N 2.8Å; R137-F139 HydrophobicContact CB-CE2 4.04Å; R137-F139 HydrophobicContact CB-CZ 4.12Å
138F93.9Very high86.4Confident30 Ų3080.7 Ų80.713%0.13240%0.402CS..EExtended strand (participates in β ladder)trans-109.2149.6172.4-58.2-73.9000110.7M29 F56 L59 L81 F83 E84 A128 R129M29-F138 HydrophobicContact CE-CD1 3.87Å; M29-F138 HydrophobicContact CE-CE1 3.79Å; M29-F138 HydrophobicContact SD-CD1 4Å; M29-F138 HydrophobicContact SD-CE1 4.41Å; F56-F138 HydrophobicContact CD1-CE1 4.36Å; F56-F138 HydrophobicContact CD1-CZ 4.48Å; F56-F138 HydrophobicContact CE1-CD1 4.29Å; F56-F138 HydrophobicContact CE1-CE1 4.01Å; F56-F138 HydrophobicContact CE1-CZ 4.4Å; L59-F138 HydrophobicContact CD2-CE2 4.32Å; L59-F138 HydrophobicContact CD2-CZ 4.35Å; L81-F138 HydrophobicContact CD2-CE2 4.35Å; F83-F138 CarbonylContact C-O 3.6Å; F83-F138 VanDerWaalsContact CA-O 3.29Å; F83-F138 WeakPolarHBondContact CA-O 3.24Å; F83-F138 HydrophobicContact CD1-CB 3.34Å; F83-F138 HydrophobicContact CD1-CG 4.39Å; F83-F138 HydrophobicContact CE1-CB 3.44Å; F83-F138 VanDerWaalsContact CE1-CB 3.44Å; F83-F138 HydrophobicContact CE1-CD1 4.43Å; F83-F138 HydrophobicContact CE1-CG 4.05Å; F83-F138 HydrophobicContact CG-CB 3.97Å; F83-F138 HydrophobicContact CZ-CB 4.18Å; F83-F138 HydrophobicContact CZ-CG 4.45Å; E84-F138 PolarHBondContact N-O 3.14Å; A128-F138 CarbonylContact O-C 3.5Å; A128-F138 WeakPolarHBondContact O-CA 3.45Å; R129-F138 HydrophobicContact CB-CD1 4.5Å; R129-F138 HydrophobicContact CG-CD1 4.46Å; R129-F138 HydrophobicContact CG-CE1 4.42Å
139F94.9Very high84.5Confident13 Ų1386.7 Ų86.76%0.05743%0.433CS..EExtended strand (participates in β ladder)trans-128.9145.5-179-60.9-84000110.6W23 K26 E84 A128 R137W23-F139 HydrophobicContact CH2-CB 4.45Å; W23-F139 HydrophobicContact CZ3-CB 4.21Å; K26-F139 HydrophobicContact CD-CB 4.13Å; K26-F139 HydrophobicContact CD-CD1 4.1Å; K26-F139 HydrophobicContact CD-CD2 3.76Å; K26-F139 HydrophobicContact CD-CE1 4.48Å; K26-F139 HydrophobicContact CD-CE2 4.17Å; K26-F139 HydrophobicContact CD-CG 3.72Å; K26-F139 VanDerWaalsContact CE-CD1 3.42Å; K26-F139 VanDerWaalsContact CE-CE1 3.5Å; K26-F139 HydrophobicContact CG-CD2 3.88Å; K26-F139 HydrophobicContact CG-CE2 4.02Å; K26-F139 HydrophobicContact CG-CG 4.36Å; K26-F139 VanDerWaalsContact NZ-CD1 3.32Å; E84-F139 HydrophobicContact CB-CD1 3.78Å; E84-F139 HydrophobicContact CB-CE1 3.94Å; E84-F139 HydrophobicContact CG-CD1 4.45Å; E84-F139 HydrophobicContact CG-CE1 4.38Å; E84-F139 CarbonylContact O-C 3.55Å; E84-F139 WeakPolarHBondContact O-CA 3.42Å; A128-F139 HydrophobicContact CB-CB 4.31Å; A128-F139 PolarHBondContact N-O 3.38Å; A128-F139 PolarHBondContact O-N 2.92Å; R137-F139 HydrophobicContact CB-CE2 4.04Å; R137-F139 HydrophobicContact CB-CZ 4.12Å
140I96.3Very high82.6Confident1 Ų187.6 Ų87.61%0.00545%0.454CS..EExtended strand (participates in β ladder)trans-132.1133.6179.2-169.5172.4000110.5F83 E84 D85 W91 F93 F113 V125 L126 F127F83-I140 HydrophobicContact CB-CB 3.85Å; F83-I140 HydrophobicContact CB-CG2 3.58Å; F83-I140 HydrophobicContact CD1-CB 4.14Å; F83-I140 HydrophobicContact CG-CB 4.22Å; F83-I140 HydrophobicContact CG-CG2 4.44Å; E84-I140 PolarHBondContact O-N 3.45Å; D85-I140 VanDerWaalsContact CA-O 3.27Å; D85-I140 WeakPolarHBondContact CA-O 3.47Å; D85-I140 HydrophobicContact CB-CG2 4.38Å; W91-I140 HydrophobicContact CG-CG2 4.41Å; F93-I140 HydrophobicContact CE2-CD1 3.76Å; F93-I140 HydrophobicContact CZ-CD1 4Å; F113-I140 HydrophobicContact CD1-CD1 4.19Å; F113-I140 HydrophobicContact CE1-CD1 3.68Å; F113-I140 HydrophobicContact CE1-CG1 4.18Å; F113-I140 HydrophobicContact CE2-CD1 4.08Å; F113-I140 HydrophobicContact CE2-CG1 4.27Å; F113-I140 HydrophobicContact CE2-CG2 4Å; F113-I140 HydrophobicContact CZ-CD1 3.64Å; F113-I140 HydrophobicContact CZ-CG1 3.74Å; F113-I140 HydrophobicContact CZ-CG2 4.32Å; V125-I140 HydrophobicContact CG1-CD1 3.79Å; V125-I140 HydrophobicContact CG1-CG1 3.73Å; L126-I140 WeakPolarHBondContact O-CA 3.3Å; F127-I140 HydrophobicContact CD1-CG1 4.45Å; F127-I140 HydrophobicContact CE1-CD1 3.82Å; F127-I140 HydrophobicContact CE1-CG1 4.18Å; F127-I140 HydrophobicContact CZ-CD1 4.18Å
141D95.6Very high80.9Confident18 Ų1896.7 Ų96.710%0.09649%0.494CS..EExtended strand (participates in β ladder)trans-141.1-178.8170.3-152.6-10.5000110.4W23 R86 V125 L126W23-D141 HydrophobicContact CH2-CB 3.72Å; W23-D141 HydrophobicContact CZ2-CB 3.78Å; W23-D141 VanDerWaalsContact CZ2-OD2 3.26Å; W23-D141 WeakPolarHBondContact CZ2-OD2 3.45Å; R86-D141 WeakPolarHBondContact CD-OD2 3.32Å; R86-D141 IonicContact NH1-OD1 2.7Å; R86-D141 PolarHBondContact NH1-OD1 2.73Å; V125-D141 WeakPolarHBondContact CA-O 3.4Å; L126-D141 PolarHBondContact N-O 3.09Å; L126-D141 PolarHBondContact O-N 2.79Å
142F95.5Very high79Confident22 Ų22101.4 Ų101.410%0.09651%0.512CS..EExtended strand (participates in β ladder)trans-144.8146.3178.671.1-74.5000112.3K117 L119 T124 R144K117-F142 HydrophobicContact CB-CD1 4.08Å; K117-F142 HydrophobicContact CB-CE1 3.78Å; K117-F142 HydrophobicContact CB-CE2 4.46Å; K117-F142 HydrophobicContact CB-CZ 3.97Å; K117-F142 HydrophobicContact CD-CD1 4.36Å; K117-F142 HydrophobicContact CD-CE1 3.7Å; K117-F142 HydrophobicContact CD-CZ 4.36Å; K117-F142 HydrophobicContact CG-CD1 4.08Å; K117-F142 HydrophobicContact CG-CE1 3.83Å; K117-F142 HydrophobicContact CG-CZ 4.48Å; L119-F142 HydrophobicContact CD2-CB 3.61Å; L119-F142 HydrophobicContact CD2-CD2 3.45Å; L119-F142 VanDerWaalsContact CD2-CD2 3.45Å; L119-F142 HydrophobicContact CD2-CE2 4.25Å; L119-F142 HydrophobicContact CD2-CG 3.61Å; T124-F142 CarbonylContact O-C 3.48Å; T124-F142 WeakPolarHBondContact O-CA 3.35Å; F142-R144 HydrophobicContact CE2-CG 4.44Å
143R95.1Very high77.1Confident126 Ų126106.1 Ų106.148%0.47552%0.517SS..EExtended strand (participates in β ladder)trans-117.4132.4171.7-179.5174.464.3-145.1-11.2108.8E31 T124 L126E31-R143 IonicContact OE1-NH1 3.48Å; E31-R143 IonicContact OE1-NH2 3.93Å; E31-R143 IonicContact OE2-CZ 2.81Å; E31-R143 IonicContact OE2-NH2 3.84Å; E31-R143 PolarHBondContact OE2-NH2 3.38Å; T124-R143 PolarHBondContact N-O 3.17Å; T124-R143 PolarHBondContact O-N 3.1Å; L126-R143 HydrophobicContact CD1-CB 4.05Å
144R94.7Very high75.7Confident158 Ų158105 Ų10560%0.59650%0.5SS*.  trans-71.9144.2175.3-67.2-172.9173.4-167.2-1.7110.5D123 F142 R146D123-R144 WeakPolarHBondContact OD1-CA 3.3Å; F142-R144 HydrophobicContact CE2-CG 4.44Å; R144-R146 PolarHBondContact O-N 3.17Å
145R89.5Confident74.3Confident138 Ų138109.1 Ų109.152%0.52153%0.527SS..  trans-58.4121.6168.7-173.9-171.8-83.5142.1-12.7108.5A121 D123 H147A121-R145 PolarHBondContact O-NH1 3.34Å; D123-R145 PolarHBondContact OD1-N 2.78Å; R145-H147 PolarHBondContact O-N 3.48Å
146R81.9Confident72.6Confident171 Ų171109.6 Ų109.665%0.64554%0.541SS*.  trans-67115.1167.3-75.5-173.3167.4174.4-6.9107.4E15 R144 E148E15-R146 IonicContact OE2-NH2 2.69Å; E15-R146 PolarHBondContact OE2-NH2 3.46Å; R144-R146 PolarHBondContact O-N 3.17Å; R146-E148 PolarHBondContact O-N 3Å
147H60.1Low71.1Confident161 Ų161110.1 Ų110.175%0.74554%0.539SS*.  trans-84.355.7-179.4-145.9-81.5000109.5R145R145-H147 PolarHBondContact O-N 3.48Å
148E53.9Low69Low144 Ų144108.4 Ų108.467%0.67355%0.549SS*.SBendtrans-110.3108.4176-84.6178.514500109.5R146 A150R146-E148 PolarHBondContact O-N 3Å; E148-A150 PolarHBondContact O-N 3.5Å
149L53.4Low66.9Low132 Ų132112.1 Ų112.169%0.69159%0.585SS**SBendtrans69.10.2147.8-53.9173.3000120.8F151 L152L149-F151 VanDerWaalsContact C-N 3.27Å; L149-F151 PolarHBondContact O-N 2.96Å; L149-L152 HydrophobicContact CD2-CD1 4.44Å; L149-L152 PolarHBondContact O-N 3.45Å
150A51.3Low64.9Low81 Ų81120.3 Ų120.367%0.66962%0.624SS**THydrogen-bonded Turntrans-72.5-9.7-17900000115.8E148E148-A150 PolarHBondContact O-N 3.5Å
151F54.6Low62.9Low191 Ų191131.3 Ų131.384%0.83867%0.665SS**THydrogen-bonded Turntrans-95.24.2175.4-71.2-75.4000114.2L149L149-F151 VanDerWaalsContact C-N 3.27Å; L149-F151 PolarHBondContact O-N 2.96Å
152L47.2Very low60.7Low140 Ų140138.8 Ų138.873%0.73370%0.704SS**SBendtrans-107.29.8174.6-66-178.2000113.9L149 P154L149-L152 HydrophobicContact CD2-CD1 4.44Å; L149-L152 PolarHBondContact O-N 3.45Å; L152-P154 WeakPolarHBondContact O-CD 3.18Å
153Q44.5Very low59.2Low165 Ų165145.4 Ų145.477%0.77174%0.74SS**  trans-114.397.5173.6-73.1-172.6-54.700110.7
154P50.1Low57Low93 Ų93145.3 Ų145.360%0.60476%0.755SS**  trans-62.9155.615629.2-31.1000108.6L152 L156L152-P154 WeakPolarHBondContact O-CD 3.18Å; P154-L156 VanDerWaalsContact C-N 3.32Å; P154-L156 PolarHBondContact O-N 2.89Å
155P52.3Low55.3Low127 Ų127145.2 Ų145.283%0.82577%0.766SS**  trans-67.290.4179.729.4-33.8000109.7A157P155-A157 PolarHBondContact O-N 3.18Å
156L47.5Very low53.6Low173 Ų173144.3 Ų144.391%0.90678%0.778SS**  trans-78.976.5163.5-79169000107.7P154P154-L156 VanDerWaalsContact C-N 3.32Å; P154-L156 PolarHBondContact O-N 2.89Å
157A50.4Low52.2Low82 Ų82141.3 Ų141.368%0.67878%0.783SS**  trans-142.373.1171.800000109.6P155P155-A157 PolarHBondContact O-N 3.18Å
158S46.6Very low52.4Low111 Ų111140 Ų14078%0.77679%0.786SS**  trans-170103.1141.2-83.90000108.3Q160S158-Q160 PolarHBondContact O-N 2.77Å
159A49.2Very low52.2Low108 Ų108138 Ų13889%0.89379%0.786SS**  trans-57.594.7172.600000110R161A159-R161 PolarHBondContact O-N 3.18Å
160Q52.7Low52.2Low185 Ų185138.9 Ų138.986%0.86479%0.79SS**  trans-82.8111.3164.8-72.6-171.4-1300107.8S158 L162S158-Q160 PolarHBondContact O-N 2.77Å; Q160-L162 PolarHBondContact O-N 2.86Å
161R55Low52.1Low231 Ų231140.6 Ų140.687%0.87280%0.796SS**  trans-41.6126.9174.3-74.6172.2151-177.8-7.7111.5A159 L163A159-R161 PolarHBondContact O-N 3.18Å; R161-L163 PolarHBondContact O-N 2.83Å
162L50.2Low52Low176 Ų176136.3 Ų136.392%0.92179%0.787SS**  trans-46122.6160.1-68.6154000109.6Q160Q160-L162 PolarHBondContact O-N 2.86Å
163L63Low52.2Low161 Ų161141 Ų14184%0.84380%0.795SS**  trans-122.9142.3161.4-67.8178.5000109R161R161-L163 PolarHBondContact O-N 2.83Å
164P49.4Very low52.3Low123 Ų123140.3 Ų140.380%0.79979%0.792SS**  trans-84.2155.2-170.87.512.2000112.5
165L58.1Low52.2Low156 Ų156139.1 Ų139.182%0.81780%0.796SS**  trans-53.9170-177.3-61.4160.8000114.8
166P54.4Low52.1Low119 Ų119143.1 Ų143.177%0.77380%0.796SS**  -130.8129.1119.134.9-26.2000114
167S52.8Low51.9Low109 Ų109138.5 Ų138.576%0.76279%0.79SS**  trans-66.5134.4165.3-47.20000110.6
168V64.9Low51.8Low132 Ų132139.5 Ų139.580%0.880%0.799SS**  trans-133.4132.9164.6-163.30000109.2
169P49.8Very low52.2Low103 Ų103140 Ų14067%0.66980%0.802SS**  trans-95.9149.1-168.334.8-28.8000114.8
170I51.8Low52.3Low151 Ų151139 Ų13977%0.77479%0.794SS**  trans36.8118.4133.4-35.1169.9000118.8
171C49.8Very low52.3Low117 Ų117136.1 Ų136.179%0.79179%0.791SS**  168.3157.1104.6-950000115.2
172P52.5Low52.4Low101 Ų101129.3 Ų129.366%0.65678%0.784SS**  trans-107.7156.2-163.439.4-27.5000113.6
173W51Low52.6Low237 Ų237127 Ų12790%0.89878%0.78SS**  trans179.6120.8145.7-92.6-23.1000108.7
174Q47.1Very low52.1Low152 Ų152124.3 Ų124.371%0.7177%0.774SS**  86.7110.890-157.777.39.400111.6
175G47.3Very low52.3Low67 Ų67129.9 Ų129.969%0.69178%0.78SS**  trans172.571.517700000114.2
176Y50.3Low52.3Low211 Ų211130.8 Ų130.883%0.82778%0.779SS**  trans16.2129152.7-52.7-83.3000120.4
177G43.2Very low52.5Low76 Ų76130.3 Ų130.378%0.78477%0.774SS**  trans134.5101.2136.200000117.1
178A49.4Very low53Low103 Ų103132.3 Ų132.385%0.85178%0.775SS**  trans74.2110.8141.400000120.9
179S53.7Low52.7Low122 Ų122135 Ų13585%0.85378%0.777SS**  trans70.2100.3135.7-167.60000119.5
180A51.2Low53.1Low87 Ų87137.6 Ų137.672%0.71978%0.784SS**  trans-94.9175.6145.600000108.8
181P53.4Low53.6Low124 Ų124141.5 Ų141.581%0.80579%0.789SS**  cis-140.4164.3639.1-19.9000116.1
182A58Low54.1Low88 Ų88141.7 Ų141.773%0.72779%0.789SS**  trans-154.4125.1149.700000110.4S184A182-S184 PolarHBondContact O-N 3.02Å
183P53.4Low54.5Low129 Ų129145.5 Ų145.584%0.83880%0.798SS**  trans-87.9100.7176.332.9-27.9000109.8
184S52.6Low55Low103 Ų103140.1 Ų140.172%0.7279%0.791SS**  trans-83.1114.5164.8-840000110A182 H186A182-S184 PolarHBondContact O-N 3.02Å; S184-H186 PolarHBondContact O-N 3.18Å
185R53.7Low55.8Low241 Ų241138.4 Ų138.491%0.90979%0.793SS**  trans-61.7109.3172.4-74.2172.1133.4-176-3.7110.1V187R185-V187 PolarHBondContact O-N 2.83Å
186H57.1Low56.5Low174 Ų174139.7 Ų139.781%0.80680%0.797SS**  trans-81.7111.7164.6-77.5-81.1000109.7S184 L188S184-H186 PolarHBondContact O-N 3.18Å; H186-L188 PolarHBondContact O-N 3.41Å
187V60.2Low57Low110 Ų110134 Ų13467%0.66779%0.794SS**  trans-84.2106.3166.7-176.60000107.3R185 F189R185-V187 PolarHBondContact O-N 2.83Å; V187-F189 HydrophobicContact CB-CE2 4.34Å; V187-F189 HydrophobicContact CG1-CD2 3.88Å; V187-F189 HydrophobicContact CG1-CE2 3.6Å; V187-F189 HydrophobicContact CG1-CZ 4.22Å; V187-F189 PolarHBondContact O-N 3.39Å
188L63Low58Low150 Ų150136.6 Ų136.679%0.78579%0.794SS**  trans-77.5103.5171.4-72170000109.1H186 L190H186-L188 PolarHBondContact O-N 3.41Å; L188-L190 HydrophobicContact CB-CD1 4.44Å; L188-L190 PolarHBondContact O-N 3.19Å
189F58.8Low58.8Low190 Ų190137.6 Ų137.683%0.83379%0.789SS**  trans-80.8103.4164.3-79.9-86.4000109V187 R191V187-F189 HydrophobicContact CB-CE2 4.34Å; V187-F189 HydrophobicContact CG1-CD2 3.88Å; V187-F189 HydrophobicContact CG1-CE2 3.6Å; V187-F189 HydrophobicContact CG1-CZ 4.22Å; V187-F189 PolarHBondContact O-N 3.39Å; F189-R191 PolarHBondContact O-N 2.99Å
190L57.2Low59.1Low157 Ų157139.3 Ų139.382%0.82279%0.788SS**  trans-73.2108.5165.4-85.583.9000109L188L188-L190 HydrophobicContact CB-CD1 4.44Å; L188-L190 PolarHBondContact O-N 3.19Å
191R62.6Low60Low233 Ų233141.3 Ų141.388%0.87979%0.791SS**  trans-71.5127.3165.7-107.2-178.9158.3135.7-4109.3F189 Q193F189-R191 PolarHBondContact O-N 2.99Å; R191-Q193 PolarHBondContact O-N 3.02Å
192P59.5Low60.9Low120 Ų120140.8 Ų140.878%0.77979%0.791SS**  trans-66.6113.5168.1-15.529.5000109.5V194P192-V194 PolarHBondContact O-N 3.2Å
193Q61Low61.4Low182 Ų182142.8 Ų142.885%0.8579%0.794SS**  trans-70.8114.8167.2-80.6-784.300108.5R191R191-Q193 PolarHBondContact O-N 3.02Å
194V62.5Low62.3Low123 Ų123141.7 Ų141.775%0.74579%0.786SS**PPolyproline II helixtrans-82.4120.8170.9-179.10000107.3P192 A196P192-V194 PolarHBondContact O-N 3.2Å; V194-A196 PolarHBondContact O-N 3.48Å
195P64Low62.9Low117 Ų117142.9 Ų142.976%0.7679%0.789SS**PPolyproline II helixtrans-66.4134.6176.424.8-29.9000110.3
196A60.9Low63.2Low93 Ų93142.7 Ų142.777%0.76979%0.789SS**PPolyproline II helixtrans-56.1137.9-179.900000111.9V194 V198V194-A196 PolarHBondContact O-N 3.48Å; A196-V198 PolarHBondContact O-N 3.44Å
197A60.7Low63.3Low93 Ų93140.6 Ų140.677%0.76979%0.787SS**PPolyproline II helixtrans-62.6125.817500000110.6V199A197-V199 PolarHBondContact O-N 3.14Å
198V64.2Low62.7Low130 Ų130139.9 Ų139.979%0.78879%0.793SS**  trans-78.9113.5169.5-174.70000107.7A196 L200A196-V198 PolarHBondContact O-N 3.44Å; V198-L200 PolarHBondContact O-N 3.04Å
199V66.8Low61.8Low124 Ų124137.5 Ų137.575%0.75280%0.795SS**  trans-80.2110.1170.91770000107.7A197A197-V199 PolarHBondContact O-N 3.14Å
200L60.4Low61.2Low157 Ų157134 Ų13482%0.82279%0.794SS**  trans-82.2114.8167.3-72167.8000108.3V198 S202V198-L200 PolarHBondContact O-N 3.04Å; L200-S202 PolarHBondContact O-N 3.14Å
201T70.1Confident60.5Low129 Ų129130.7 Ų130.779%0.79179%0.79SS**PPolyproline II helixtrans-71.8116.6171.251.60000108.5
202S71.5Confident59.7Low114 Ų114125.9 Ų125.980%0.79779%0.786SS**PPolyproline II helixtrans-86.4129.417153.60000109.9L200L200-S202 PolarHBondContact O-N 3.14Å
203V68.9Low59Low130 Ų130128.4 Ų128.479%0.78879%0.787SS**PPolyproline II helixtrans-77.5127.7172.4-177.70000108.3V205V203-V205 PolarHBondContact O-N 3.39Å
204P71.7Confident57.9Low105 Ų105129.4 Ų129.468%0.68279%0.792SS**PPolyproline II helixtrans-72.1123.4175.127.6-31.5000110.4R206P204-R206 PolarHBondContact O-N 3.08Å
205V66.4Low57.2Low129 Ų129127.1 Ų127.178%0.78279%0.786SS**PPolyproline II helixtrans-70.8116.2165.8168.10000108V203 V207V203-V205 PolarHBondContact O-N 3.39Å; V205-V207 HydrophobicContact CG1-CG2 4.07Å
206R60.5Low56.8Low237 Ų237128.1 Ų128.189%0.89479%0.79SS**  trans-82.8110.6169.3-63.5-167.5-179.8-131.32108.2P204P204-R206 PolarHBondContact O-N 3.08Å
207V58.2Low56.7Low129 Ų129134.9 Ų134.978%0.78280%0.796SS**  trans-89.9121.9165.1-178.20000107.1V205 A209V205-V207 HydrophobicContact CG1-CG2 4.07Å; V207-A209 PolarHBondContact O-N 3.23Å
208A46.8Very low57Low96 Ų96132.6 Ų132.679%0.79377%0.774SS**  trans-59.5121.9174.800000109.8S210A208-S210 PolarHBondContact O-N 3.32Å
209A45.1Very low57.6Low100 Ų100135.1 Ų135.183%0.82678%0.775SS**  trans-75.8112.416300000107.4V207 A211V207-A209 PolarHBondContact O-N 3.23Å; A209-A211 PolarHBondContact O-N 3.22Å
210S45.4Very low58.2Low116 Ų116137 Ų13781%0.81177%0.768SS**  trans-74.5120.1161.867.70000107.7A208A208-S210 PolarHBondContact O-N 3.32Å
211A42.8Very low59.4Low88 Ų88133.1 Ų133.173%0.72775%0.751SS**  trans-47.1144.8161.600000110.5A209A209-A211 PolarHBondContact O-N 3.22Å
212V45.3Very low60.4Low131 Ų131135.5 Ų135.579%0.79475%0.745SS**  trans-177132.6138.81530000106.9
213E44.8Very low60.9Low173 Ų173134.9 Ų134.981%0.80873%0.733SS**  trans72.898.6168.6-108171115.900119.2A215E213-A215 PolarHBondContact O-N 3.03Å; E213-A215 VanDerWaalsContact O-N 3.08Å
214E38Very low61.7Low203 Ų203138.3 Ų138.395%0.94974%0.737SS**  trans-62.292.5155.5-174.9169.2-169.300109.5
215A49Very low62.3Low75 Ų75135.7 Ų135.762%0.6273%0.73SS**  trans-111.1121.6166.600000108.4E213 R217E213-A215 PolarHBondContact O-N 3.03Å; E213-A215 VanDerWaalsContact O-N 3.08Å; A215-R217 PolarHBondContact O-N 2.77Å
216T55.6Low62.9Low139 Ų139134 Ų13485%0.85372%0.719SS**  trans-48.7100.1175.851.40000110.5S218T216-S218 PolarHBondContact O-N 3.17Å
217R58.1Low64.1Low234 Ų234126.5 Ų126.588%0.88370%0.697SS**  trans-85.598-176.8-175.4177.1165.9-178.1-4.5109.7A215A215-R217 PolarHBondContact O-N 2.77Å
218S67.9Low65.2Low45 Ų45124.7 Ų124.732%0.31568%0.683SS.*  trans-55.5143.8167.4-56.50000110.9T216 R220T216-S218 PolarHBondContact O-N 3.17Å; S218-R220 PolarHBondContact O-N 3.08Å; S218-R220 VanDerWaalsContact O-N 3.09Å
219K76.2Confident67Low183 Ų183124.3 Ų124.380%0.79667%0.667SS**  trans-65109.6175.8-71.5169.8-176.9160.20108.7
220R80.1Confident68Low164 Ų164123 Ų12362%0.61965%0.651SS**EExtended strand (participates in β ladder)trans-93.1127.3177.4-72.9179.7158.2-163.9-8.5110.6S218 D229S218-R220 PolarHBondContact O-N 3.08Å; S218-R220 VanDerWaalsContact O-N 3.09Å; R220-D229 VanDerWaalsContact CG-OD1 3.28Å; R220-D229 WeakPolarHBondContact CG-OD1 3.48Å; R220-D229 IonicContact CZ-OD1 3.1Å; R220-D229 IonicContact NE-OD1 3.3Å; R220-D229 PolarHBondContact NE-OD1 3.49Å; R220-D229 IonicContact NE-OD2 3.54Å; R220-D229 IonicContact NH2-OD1 3.77Å; R220-D229 PolarHBondContact NH2-OD1 3.48Å; R220-D229 IonicContact NH2-OD2 2.81Å
221V84.6Confident69.2Low76 Ų76122.7 Ų122.746%0.46165%0.646SS.*EExtended strand (participates in β ladder)trans-111.4131.9171.4175.40000108.5L228V221-L228 HydrophobicContact CB-CB 4.43Å; V221-L228 HydrophobicContact CG1-CD1 4.46Å; V221-L228 PolarHBondContact N-O 3.41Å; V221-L228 VanDerWaalsContact N-O 3.08Å; V221-L228 WeakPolarHBondContact O-CB 3.32Å; V221-L228 PolarHBondContact O-N 3.32Å
222R90.8Very high70.5Confident178 Ų178123.8 Ų123.867%0.67265%0.646SS**EExtended strand (participates in β ladder)trans-114.8110.4179.8-154.6172.9179.6-177.2-2.5109.8V226 N227R222-V226 VanDerWaalsContact CA-O 3.31Å; R222-V226 WeakPolarHBondContact CA-O 3.37Å; R222-V226 WeakPolarHBondContact CG-O 3.28Å; R222-N227 WeakPolarHBondContact CD-OD1 3.24Å; R222-N227 WeakPolarHBondContact CG-OD1 3.37Å; R222-N227 PolarHBondContact NE-OD1 3.28Å
223L82.9Confident71.3Confident101 Ų101125.2 Ų125.253%0.52965%0.649SS.*EExtended strand (participates in β ladder)trans-120.2128.3177.7-137.179.3000108.5G225 V226L223-G225 PolarHBondContact O-N 3.24Å; L223-G225 VanDerWaalsContact O-N 3.12Å; L223-V226 PolarHBondContact N-O 3.4Å; L223-V226 VanDerWaalsContact N-O 3.13Å; L223-V226 PolarHBondContact O-N 3.42Å
224F85.9Confident71.8Confident202 Ų202121.7 Ų121.789%0.88665%0.65SS**THydrogen-bonded Turntrans5527.8-179.1-52.3-75.9000115.8V226F224-V226 VanDerWaalsContact C-N 3.29Å; F224-V226 PolarHBondContact O-N 2.9Å
225G83.2Confident72.6Confident51 Ų51121.4 Ų121.453%0.52665%0.648SS.*THydrogen-bonded Turntrans87-7.5-179.100000114.6L223L223-G225 PolarHBondContact O-N 3.24Å; L223-G225 VanDerWaalsContact O-N 3.12Å
226V80.7Confident72.5Confident92 Ų92125.8 Ų125.856%0.55866%0.661SS**EExtended strand (participates in β ladder)trans-89.5132176.9-1640000109.1R222 L223 F224R222-V226 VanDerWaalsContact CA-O 3.31Å; R222-V226 WeakPolarHBondContact CA-O 3.37Å; R222-V226 WeakPolarHBondContact CG-O 3.28Å; L223-V226 PolarHBondContact N-O 3.4Å; L223-V226 VanDerWaalsContact N-O 3.13Å; L223-V226 PolarHBondContact O-N 3.42Å; F224-V226 VanDerWaalsContact C-N 3.29Å; F224-V226 PolarHBondContact O-N 2.9Å
227N85.6Confident72Confident80 Ų80122 Ų12243%0.42865%0.651SS.*EExtended strand (participates in β ladder)trans-86.3125.5172.5-65.7-52.6000108.9R222R222-N227 WeakPolarHBondContact CD-OD1 3.24Å; R222-N227 WeakPolarHBondContact CG-OD1 3.37Å; R222-N227 PolarHBondContact NE-OD1 3.28Å
228L81.5Confident71.3Confident92 Ų92115.3 Ų115.348%0.48265%0.645SS.*EExtended strand (participates in β ladder)trans-100114169-64.1162.2000107.1V221V221-L228 HydrophobicContact CB-CB 4.43Å; V221-L228 HydrophobicContact CG1-CD1 4.46Å; V221-L228 PolarHBondContact N-O 3.41Å; V221-L228 VanDerWaalsContact N-O 3.08Å; V221-L228 WeakPolarHBondContact O-CB 3.32Å; V221-L228 PolarHBondContact O-N 3.32Å
229D83.3Confident70Confident88 Ų88119.6 Ų119.647%0.47167%0.669SS.*EExtended strand (participates in β ladder)trans-93.7116.9170-76.9-73.7000107.9R220R220-D229 VanDerWaalsContact CG-OD1 3.28Å; R220-D229 WeakPolarHBondContact CG-OD1 3.48Å; R220-D229 IonicContact CZ-OD1 3.1Å; R220-D229 IonicContact NE-OD1 3.3Å; R220-D229 PolarHBondContact NE-OD1 3.49Å; R220-D229 IonicContact NE-OD2 3.54Å; R220-D229 IonicContact NH2-OD1 3.77Å; R220-D229 PolarHBondContact NH2-OD1 3.48Å; R220-D229 IonicContact NH2-OD2 2.81Å
230C65.7Low68.5Low73 Ų73114.9 Ų114.949%0.49367%0.665SS.*PPolyproline II helixtrans-84.1129.8171.6-67.10000109.7
231P72.4Confident66.6Low108 Ų108113.2 Ų113.270%0.70167%0.673SS**PPolyproline II helixtrans-67145.317327.7-32.3000110.7
232P69.6Low64.4Low112 Ų112120.6 Ų120.673%0.72769%0.692SS**PPolyproline II helixtrans-73.6125169.429.5-30.7000109.6A234P232-A234 PolarHBondContact O-N 3.2Å
233D61.1Low61.8Low160 Ų160118 Ų11886%0.85670%0.697SS**PPolyproline II helixtrans-61.9120.2168.9-64.6-67.3000109
234A56.7Low60.3Low99 Ų99118.4 Ų118.482%0.81871%0.705SS**PPolyproline II helixtrans-74.5126170.700000108.5P232 D236P232-A234 PolarHBondContact O-N 3.2Å; A234-D236 PolarHBondContact O-N 3.35Å
235E53.9Low58.4Low197 Ų197113.7 Ų113.792%0.92170%0.697SS**PPolyproline II helixtrans-68.1117.6169.2-55.6-145.4124.400108.9
236D47.7Very low56.6Low167 Ų167117.7 Ų117.789%0.89371%0.712SS**  trans-147140.7147.9-144.5-13.8000109.9A234A234-D236 PolarHBondContact O-N 3.35Å
237G45.1Very low54.9Low61 Ų61119.4 Ų119.463%0.62972%0.717SS**  trans-76.5179.4-167.500000114.5
238A41.9Very low53.5Low92 Ų92124.4 Ų124.476%0.7674%0.743SS**  trans88.2112154.400000118.1
239T42.1Very low51.8Low136 Ų136126.8 Ų126.883%0.83475%0.751SS**  trans63.5116.2137.626.40000121.6
240A44.2Very low50.1Low84 Ų84129.2 Ų129.269%0.69476%0.764SS**  69.3108.8129.100000120
241T38.9Very low49.2Very low128 Ų128131 Ų13179%0.78578%0.775SS**  62120.3119.8-41.70000119.7
242R39.4Very low48.2Very low231 Ų231131.3 Ų131.387%0.87278%0.779SS**  trans113.5113.7152.8-84159.667152.50.1117.2
243T36.6Very low48.2Very low125 Ų125132.1 Ų132.177%0.76778%0.784SS**  trans-50.3168.3149.1480000111.6
244P50.2Low47.6Very low108 Ų108129.6 Ų129.670%0.70178%0.779SS**  cis-153.3-173.435.141.6-18.1000117.6
245S47.4Very low47.1Very low104 Ų104130.5 Ų130.573%0.72778%0.779SS**  trans70.5132.3152-49.40000116.8
246T44Very low47.4Very low135 Ų135127 Ų12783%0.82878%0.776SS**  -172143.566.5-58.70000110
247L45.9Very low47.4Very low128 Ų128125.9 Ų125.967%0.6778%0.776SS**  trans-73.8131.2-177.7-169161.5000111.2Q249L247-Q249 HydrophobicContact CD2-CB 4.28Å; L247-Q249 HydrophobicContact CD2-CG 4.29Å
248L55.8Low48.2Very low184 Ų184128.9 Ų128.996%0.96379%0.787SS**  trans-133.9140.6156.6-80.3177.4000109.9
249Q45.8Very low48.7Very low143 Ų143130.2 Ų130.267%0.66879%0.791SS**  trans-115.7156.8-150.3-143.3-179.2-103.800110.7L247L247-Q249 HydrophobicContact CD2-CB 4.28Å; L247-Q249 HydrophobicContact CD2-CG 4.29Å
250L47.2Very low49.6Very low139 Ų139129.7 Ų129.773%0.72879%0.793SS**  trans77.7163.5152.5-65.5155.1000118.8
251P48.2Very low50.1Low111 Ų111132.5 Ų132.572%0.72180%0.802SS**  cis-136.6168.9-40.834.5-17.4000113.5
252S50.3Low50.7Low113 Ų113130.4 Ų130.479%0.7981%0.805SS**  trans-72.3147.6172.9-44.20000113.4
253P70Confident51.5Low130 Ų130123 Ų12384%0.84480%0.801SS**  trans-94.8137.8169.232.6-30.4000113.9
254S47.9Very low52.3Low106 Ų106126.5 Ų126.574%0.74181%0.805SS**  trans-107.3145.3170.2-42.80000110.8
255S46.6Very low53Low118 Ų118128.9 Ų128.983%0.82581%0.812SS**  trans57.8122.2150.259.80000120.9
256S59.6Low53.6Low123 Ų123130.4 Ų130.486%0.8682%0.817SS**  trans-145.5115.3143.454.30000110.4
257T48.6Very low54.5Low145 Ų145135.4 Ų135.489%0.8982%0.821SS**  trans-77.3142.6166.731.90000110.4
258S61.2Low55.5Low123 Ų123134.1 Ų134.186%0.8682%0.822SS**  trans-144.7110.8162.461.20000110.3
259S52.4Low56.2Low121 Ų121133.4 Ų133.485%0.84682%0.819SS**  trans-82.2137.4166.9490000110.8
260S62.4Low57.3Low124 Ų124133.4 Ų133.487%0.86782%0.823SS**  trans-154.8142.1153.366.10000112.3
261T54.3Low58.3Low143 Ų143135 Ų13588%0.87783%0.831SS**  trans-86.4167.4-163.744.40000115.7
262G51.9Low59.4Low84 Ų84132.6 Ų132.687%0.86683%0.827SS**  trans95.9138.7153.900000113.1
263G54.6Low59.9Low75 Ų75139.1 Ų139.177%0.77385%0.852SS**  cis168.3141.411.700000105
264K55Low59.4Low199 Ų199139.6 Ų139.687%0.86585%0.852SS**  trans-65.6135.5177.7-81.4164.5166.2169.20110.2
265D63Low60Low158 Ų158141.3 Ų141.385%0.84586%0.858SS**  trans-143.5117149.3-86.3-52.6000110.5
266V60.4Low60.7Low137 Ų137142.6 Ų142.683%0.8386%0.86SS**  trans-86123.1170.6176.10000106.3
267R62.7Low60.8Low240 Ų240143.8 Ų143.891%0.90686%0.86SS**  trans-105.7102.5168.2-75.6-172.4174.9167.7-0.4109.6
268S67Low61.6Low100 Ų100143.7 Ų143.770%0.69986%0.858SS**  trans-65.2135.7158-169.60000108.9
269L71.9Confident61.6Low170 Ų170145.1 Ų145.189%0.8986%0.858SS**  trans-108.5100.9161.6-73.3173.4000106.5
270D68.5Low62.3Low142 Ų142146.8 Ų146.876%0.75986%0.858SS**  trans-89.3127164.8-172.950.1000107.3
271L68.7Low62.2Low172 Ų172148.5 Ų148.590%0.90186%0.858SS**  trans-122.690.8167.2-79.3172.6000106.2
272G70.5Confident62.9Low61 Ų61149 Ų14963%0.62986%0.856SS**  trans-90.6113.5165.500000110.5
273L60.6Low63.9Low250 Ų250154.9 Ų154.9100%1.30986%0.855SS**  trans-1740139.7-104.6158000108.9

Retrieved 273 of 273 residues in 265.8 ms (Link to these results)

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