A0A2K6AHF4_MANLE Loading...

Epidermal growth factor-like protein 7

Regulates vascular tubulogenesis in vivo. Inhibits platelet-derived growth factor (PDGF)-BB-induced smooth muscle cell migration and promotes endothelial cell adhesion to the extracellular matrix and angiogenesis.

AlphaFold DB , UniProt , Accession A0A2K6AHF4, Species MANLE (Mandrillus leucophaeus, Drill), Gene EGFL7, Length 273 aa.

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

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
1M41.1Very low49.3Very low245 Ų245142.4 Ų142.4100%1.20771%0.707SS**  087.40-66.2163.176.600107
2W45.2Very low49Very low254 Ų254140.2 Ų140.296%0.96270%0.699SS**  trans-86.2120.3170.8-93.5-41.7000107.7
3G43.4Very low48.6Very low46 Ų46140 Ų14047%0.47470%0.701SS.*  trans-70.3142.6-173.600000112Q5 E6G3-Q5 PolarHBondContact O-N 3.11Å; G3-E6 PolarHBondContact O-N 3.21Å
4S56.4Low48.2Very low107 Ų107137.8 Ų137.875%0.74870%0.698SS**Hα-helixtrans-52.3-12.2-179.7-69.60000115.7
5Q52.3Low47.7Very low160 Ų160136.9 Ų136.975%0.74870%0.695SS**Hα-helixtrans-81-28.3-177.4-159.6164.1-9.800113.1G3G3-Q5 PolarHBondContact O-N 3.11Å
6E51.5Low47Very low124 Ų124133.9 Ų133.958%0.57970%0.698SS**Hα-helixtrans-76.9-27.4178.3-66.3-66.6117.400112.3G3 L8 V10G3-E6 PolarHBondContact O-N 3.21Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.43Å; E6-V10 PolarHBondContact O-N 2.77Å
7M52.2Low46.5Very low137 Ų137131.4 Ų131.468%0.67570%0.7SS**Hα-helixtrans-73.5-24.2178.8-74.1-70-98.900113.2W11M7-W11 PolarHBondContact O-N 2.05Å
8L53.3Low46.3Very low116 Ų116128.6 Ų128.661%0.60771%0.708SS**Hα-helixtrans-74.7-34.5177-90.2155.1000112.3E6 W11 L12E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.43Å; L8-W11 PolarHBondContact O-N 3.47Å; L8-L12 PolarHBondContact O-N 3.2Å; L8-L12 VanDerWaalsContact O-N 3.08Å
9L48.4Very low46.1Very low101 Ų101124.8 Ų124.853%0.52970%0.702SS.*Hα-helixtrans-71.7-34.5177-74.2167.2000112.1L12 L13L9-L12 PolarHBondContact O-N 2.97Å; L9-L13 PolarHBondContact O-N 3.19Å; L9-L13 VanDerWaalsContact O-N 3.11Å
10V52.5Low46Very low90 Ų90124.2 Ų124.255%0.54570%0.701SS.*Hα-helixtrans-67.2-36.9172.8178.10000111.3E6 L13 V14E6-V10 PolarHBondContact O-N 2.77Å; V10-L13 PolarHBondContact O-N 2.87Å; V10-V14 WeakPolarHBondContact O-CG2 3.11Å; V10-V14 PolarHBondContact O-N 2.87Å
11W45.9Very low46Very low186 Ų186127.5 Ų127.571%0.70571%0.711SS**Hα-helixtrans-68.2-35.8175.4-10979.3000113.4M7 L8M7-W11 PolarHBondContact O-N 2.05Å; L8-W11 PolarHBondContact O-N 3.47Å
12L46.2Very low46.5Very low116 Ų116120 Ų12061%0.60767%0.672SS**Hα-helixtrans-71.5-31.4175.8-87.6152.3000112.9L8 L9 L15L8-L12 PolarHBondContact O-N 3.2Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 2.05Å
13L43Very low46.7Very low138 Ų138111.2 Ų111.272%0.72366%0.655SS**Hα-helixtrans-73.7-25177.2-82.3163.1000113.8L9 V10L9-L13 PolarHBondContact O-N 3.19Å; L9-L13 VanDerWaalsContact O-N 3.11Å; V10-L13 PolarHBondContact O-N 2.87Å
14V44Very low47Very low109 Ų109116.1 Ų116.166%0.66166%0.66SS**Hα-helixtrans-76.2-24.7176.4178.20000112.1V10V10-V14 WeakPolarHBondContact O-CG2 3.11Å; V10-V14 PolarHBondContact O-N 2.87Å
15L39.9Very low46.8Very low125 Ų125119.6 Ų119.665%0.65466%0.656SS**THydrogen-bonded Turntrans-84.1-8.7-178.1-69.7170.1000114.4L12L12-L15 PolarHBondContact O-N 2.05Å
16A37.3Very low46.5Very low89 Ų89117 Ų11774%0.73665%0.653SS**THydrogen-bonded Turntrans-93.46.2179.100000114.5
17A37.8Very low46.8Very low90 Ų90114.5 Ų114.574%0.74466%0.661SS**  trans-100.332.7170.100000112G19A17-G19 PolarHBondContact O-N 3.16Å
18G42.9Very low47.5Very low82 Ų82116.9 Ų116.985%0.84566%0.663SS**  trans-7766.3169.400000111.5
19G41.8Very low49Very low57 Ų57116.3 Ų116.359%0.58865%0.652SS**SBendtrans-117.690.8177.200000111A17A17-G19 PolarHBondContact O-N 3.16Å
20T45.2Very low50.8Low111 Ų111112.9 Ų112.968%0.68164%0.636SS**  trans68.6102.3178.371.40000115.4H22T20-H22 VanDerWaalsContact CB-CE1 3.5Å; T20-H22 WeakPolarHBondContact CB-CE1 3.49Å; T20-H22 WeakPolarHBondContact CB-ND1 3.15Å; T20-H22 PolarHBondContact O-N 2.9Å; T20-H22 PolarHBondContact OG1-CE1 3.36Å; T20-H22 PolarHBondContact OG1-ND1 3.12Å
21E45.1Very low52.3Low194 Ų194109 Ų10991%0.90761%0.613SS**  trans-67.875.9168.5-69.8-160.2135.900111A23E21-A23 VanDerWaalsContact C-N 3.28Å; E21-A23 PolarHBondContact O-N 3.46Å; E21-A23 VanDerWaalsContact O-N 3.09Å
22H51.7Low53.9Low87 Ų87101.5 Ų101.540%0.40359%0.59SS.*  trans-77.386.7161.1-69.286.5000107.3T20 Y24T20-H22 VanDerWaalsContact CB-CE1 3.5Å; T20-H22 WeakPolarHBondContact CB-CE1 3.49Å; T20-H22 WeakPolarHBondContact CB-ND1 3.15Å; T20-H22 PolarHBondContact O-N 2.9Å; T20-H22 PolarHBondContact OG1-CE1 3.36Å; T20-H22 PolarHBondContact OG1-ND1 3.12Å; H22-Y24 VanDerWaalsContact C-N 3.3Å; H22-Y24 PolarHBondContact O-N 3.1Å
23A50.7Low55.3Low71 Ų7199.3 Ų99.359%0.58758%0.582SS**  trans-63.192173.300000109.7E21 R25E21-A23 VanDerWaalsContact C-N 3.28Å; E21-A23 PolarHBondContact O-N 3.46Å; E21-A23 VanDerWaalsContact O-N 3.09Å; A23-R25 PolarHBondContact O-N 3.39Å
24Y48.1Very low56.1Low148 Ų14895.7 Ų95.758%0.5858%0.577SS**  trans-67.2108.6179.7177.9-102.5000109.8H22 P26H22-Y24 VanDerWaalsContact C-N 3.3Å; H22-Y24 PolarHBondContact O-N 3.1Å; Y24-P26 HydrophobicContact CD1-CG 4.19Å; Y24-P26 HydrophobicContact CE1-CB 3.98Å; Y24-P26 HydrophobicContact CE1-CG 4.08Å; Y24-P26 WeakPolarHBondContact O-CD 3.49Å
25R53.1Low56.7Low180 Ų18092.1 Ų92.168%0.67956%0.559SS**  trans-88.9113.4168.7-77.6-168.2177.6175.10.8109.5A23 G27A23-R25 PolarHBondContact O-N 3.39Å; R25-G27 PolarHBondContact O-N 3.17Å
26P46.1Very low57.4Low105 Ų10594.5 Ų94.568%0.68257%0.567SS**THydrogen-bonded Turntrans-62.9-9.8-166-23.732.8000117.2Y24Y24-P26 HydrophobicContact CD1-CG 4.19Å; Y24-P26 HydrophobicContact CE1-CB 3.98Å; Y24-P26 HydrophobicContact CE1-CG 4.08Å; Y24-P26 WeakPolarHBondContact O-CD 3.49Å
27G57.7Low58.2Low73 Ų7392.7 Ų92.775%0.75356%0.556SS**THydrogen-bonded Turntrans-98.7-18.1-171.400000116.8R25R25-G27 PolarHBondContact O-N 3.17Å
28R67.1Low59.2Low187 Ų18794.5 Ų94.571%0.70655%0.554SS**THydrogen-bonded Turntrans-132.7-3.2-168.6-63.9-172.4-179.4-171.9-0.1115.5V30 C102R28-V30 HydrophobicContact CB-CB 4.49Å; R28-V30 HydrophobicContact CB-CG2 3.85Å; R28-V30 WeakPolarHBondContact O-CG2 3.47Å; R28-V30 PolarHBondContact O-N 3.1Å; R28-C102 WeakPolarHBondContact O-CB 3.48Å
29R84.8Confident60.2Low103 Ų10394.2 Ų94.239%0.38954%0.537SS..  trans50.341.3-175.7-42.7-177.7-163.4-116.96.8112.1C89 W92 C102R29-C89 VanDerWaalsContact C-SG 3.57Å; R29-C89 PolarHBondContact O-N 3.38Å; R29-W92 HydrophobicContact CB-CD2 4.39Å; R29-W92 HydrophobicContact CB-CG 4.22Å; R29-W92 VanDerWaalsContact CD-CE2 3.47Å; R29-W92 HydrophobicContact CG-CD2 4.45Å; R29-C102 HydrophobicContact CB-CB 4.26Å; R29-C102 WeakPolarHBondContact CB-O 3.02Å; R29-C102 WeakPolarHBondContact CD-O 3.08Å; R29-C102 VanDerWaalsContact O-CB 3.28Å; R29-C102 WeakPolarHBondContact O-CB 3.02Å
30V85.1Confident61.6Low30 Ų3095 Ų9518%0.18253%0.53CS..EExtended strand (participates in β ladder)trans-107.6130.7178.6175.30000107.9R28 Y86 A87 C102R28-V30 HydrophobicContact CB-CB 4.49Å; R28-V30 HydrophobicContact CB-CG2 3.85Å; R28-V30 WeakPolarHBondContact O-CG2 3.47Å; R28-V30 PolarHBondContact O-N 3.1Å; V30-Y86 HydrophobicContact CG1-CD1 3.9Å; V30-Y86 HydrophobicContact CG1-CG 4.12Å; V30-A87 CarbonylContact C-O 3.16Å; V30-A87 WeakPolarHBondContact CA-O 3.47Å; V30-C102 HydrophobicContact CG2-CB 4.47Å
31C84.6Confident63.2Low9 Ų993.6 Ų93.66%0.06153%0.525CS..EExtended strand (participates in β ladder)trans-112.5140.8179.4-80.20000109.3V33 A87 C89C31-V33 PolarHBondContact O-N 3.45Å; C31-A87 PolarHBondContact N-O 3.48Å; C31-A87 PolarHBondContact O-N 3.44Å; C31-C89 HydrophobicContact CB-CB 4.08Å; C31-C89 WeakPolarHBondContact CB-SG 3.5Å; C31-C89 PolarHBondContact N-SG 3.48Å; C31-C89 VanDerWaalsContact SG-CA 3.51Å; C31-C89 WeakPolarHBondContact SG-CB 3.5Å; C31-C89 CovalentContact SG-SG 2.05Å; C31-C89 PolarHBondContact SG-SG 3Å
32A80.4Confident64.8Low28 Ų2887.5 Ų87.523%0.23150%0.496CS..EExtended strand (participates in β ladder)trans-73.4119.6167.100000107.7P84 Y86A32-P84 HydrophobicContact CB-CB 4.44Å; A32-Y86 HydrophobicContact CB-CE1 4.32Å
33V74.7Confident66.2Low70 Ų7087.1 Ų87.142%0.42450%0.504SS..EExtended strand (participates in β ladder)trans-91.9116169.5-174.80000105.5C31 A35 R85 A87C31-V33 PolarHBondContact O-N 3.45Å; V33-A35 PolarHBondContact O-N 3.31Å; V33-A35 VanDerWaalsContact O-N 3.12Å; V33-R85 PolarHBondContact N-O 3.06Å; V33-A87 HydrophobicContact CG2-CB 3.53Å
34G61.1Low67.8Low61 Ų6187.5 Ų87.563%0.62949%0.492SS*.PPolyproline II helixtrans-54.1120174.200000109H36G34-H36 VanDerWaalsContact C-N 3.33Å; G34-H36 PolarHBondContact O-N 2.94Å; G34-H36 VanDerWaalsContact O-N 3.1Å
35A54.8Low69.6Low35 Ų3585.4 Ų85.429%0.28950%0.495SS..  trans-71.8100.2160.800000105.2V33 G37 A82V33-A35 PolarHBondContact O-N 3.31Å; V33-A35 VanDerWaalsContact O-N 3.12Å; A35-G37 VanDerWaalsContact C-N 3.34Å; A35-G37 PolarHBondContact O-N 3.2Å; A35-A82 HydrophobicContact CB-CB 4.22Å
36H54.7Low71.1Confident175 Ų17581.3 Ų81.381%0.8148%0.483SS*.  trans-56.5111157.5-79.2-74.5000105.1G34 D38G34-H36 VanDerWaalsContact C-N 3.33Å; G34-H36 PolarHBondContact O-N 2.94Å; G34-H36 VanDerWaalsContact O-N 3.1Å; H36-D38 VanDerWaalsContact C-N 3.3Å; H36-D38 PolarHBondContact O-N 3.49Å
37G55.2Low73Confident50 Ų5082.7 Ų82.752%0.51548%0.475SS..  trans-63.1102.4169.500000105.6A35A35-G37 VanDerWaalsContact C-N 3.34Å; A35-G37 PolarHBondContact O-N 3.2Å
38D59.2Low74.3Confident129 Ų12981.4 Ų81.469%0.6945%0.452SS*.PPolyproline II helixtrans-53133.6173.7-72.5-44.8000107.6H36 V40H36-D38 VanDerWaalsContact C-N 3.3Å; H36-D38 PolarHBondContact O-N 3.49Å; D38-V40 PolarHBondContact O-N 3.27Å
39P63.3Low75.1Confident75 Ų7578.5 Ų78.549%0.48744%0.442SS..PPolyproline II helixtrans-57.9117.9-179.620.3-29.4000108.6S41 R75P39-S41 PolarHBondContact O-N 3.36Å; P39-R75 HydrophobicContact CB-CB 4.36Å
40V71.4Confident74.9Confident75 Ų7577 Ų7746%0.45544%0.44SS..EExtended strand (participates in β ladder)trans-77.3127.2-179.5-179.30000107.5D38 E42 S76D38-V40 PolarHBondContact O-N 3.27Å; V40-E42 HydrophobicContact CG1-CG 4.35Å; V40-E42 PolarHBondContact O-N 3.05Å; V40-S76 PolarHBondContact N-O 2.82Å; V40-S76 PolarHBondContact O-N 2.92Å; V40-S76 PolarHBondContact O-OG 3.19Å
41S77.6Confident74.7Confident80 Ų8080.4 Ų80.456%0.55946%0.462SS*.EExtended strand (participates in β ladder)trans-81.1109.6170.9-170.70000108.4P39P39-S41 PolarHBondContact O-N 3.36Å
42E79.2Confident74.2Confident66 Ų6684 Ų8431%0.30848%0.477SS..EExtended strand (participates in β ladder)trans-98.8126174.6-73174.2-165.900109.4V40 Y73 R74 S76V40-E42 HydrophobicContact CG1-CG 4.35Å; V40-E42 PolarHBondContact O-N 3.05Å; E42-Y73 WeakPolarHBondContact O-CA 3.06Å; E42-R74 HydrophobicContact CB-CG 4.39Å; E42-R74 PolarHBondContact N-O 3.13Å; E42-R74 PolarHBondContact O-N 3.38Å; E42-R74 IonicContact OE2-CZ 3.87Å; E42-R74 IonicContact OE2-NE 3.49Å; E42-R74 PolarHBondContact OE2-NE 2.82Å; E42-R74 IonicContact OE2-NH2 3.28Å; E42-R74 PolarHBondContact OE2-NH2 2.87Å; E42-S76 WeakPolarHBondContact OE1-CB 3.18Å; E42-S76 PolarHBondContact OE1-OG 3.11Å
43S82.3Confident73.9Confident80 Ų8088.8 Ų88.856%0.55950%0.498SS*.EExtended strand (participates in β ladder)trans-80.2133.9168.258.10000110.2A72S43-A72 CarbonylContact C-O 3.55Å; S43-A72 WeakPolarHBondContact CA-O 3.1Å
44F83.2Confident73.8Confident79 Ų7988.1 Ų88.135%0.34649%0.494SS..EExtended strand (participates in β ladder)trans-135.5157.417372-81.6000110.8Q46 A72 R74F44-Q46 HydrophobicContact CD2-CB 4.46Å; F44-Q46 HydrophobicContact CE2-CB 3.88Å; F44-Q46 HydrophobicContact CE2-CG 4.36Å; F44-Q46 PolarHBondContact O-N 3.41Å; F44-A72 HydrophobicContact CD1-CB 4.21Å; F44-A72 VanDerWaalsContact CD1-O 3.31Å; F44-A72 WeakPolarHBondContact CD1-O 3.47Å; F44-A72 HydrophobicContact CE1-CB 3.62Å; F44-A72 HydrophobicContact CE2-CB 4Å; F44-A72 HydrophobicContact CZ-CB 3.5Å; F44-A72 PolarHBondContact N-O 3.11Å; F44-A72 PolarHBondContact O-N 3.21Å; F44-R74 HydrophobicContact CD1-CB 4.29Å; F44-R74 HydrophobicContact CD1-CG 4.02Å; F44-R74 HydrophobicContact CE1-CB 3.93Å; F44-R74 HydrophobicContact CE1-CG 4.15Å
45V85.6Confident74.6Confident104 Ų10491 Ų9163%0.6350%0.5SS*.EExtended strand (participates in β ladder)trans-83.9116.5177.2-179.30000109Y69V45-Y69 HydrophobicContact CG1-CD1 3.7Å; V45-Y69 HydrophobicContact CG1-CG 4.15Å
46Q85.4Confident75.5Confident94 Ų9490.6 Ų90.644%0.43950%0.495SS..EExtended strand (participates in β ladder)trans-101.5128175.6-173.5175.17.400110.5F44 V48 Y69 R70 A72F44-Q46 HydrophobicContact CD2-CB 4.46Å; F44-Q46 HydrophobicContact CE2-CB 3.88Å; F44-Q46 HydrophobicContact CE2-CG 4.36Å; F44-Q46 PolarHBondContact O-N 3.41Å; Q46-V48 HydrophobicContact CG-CG2 4.37Å; Q46-Y69 WeakPolarHBondContact O-CA 3.37Å; Q46-R70 PolarHBondContact N-O 3.28Å; Q46-R70 PolarHBondContact O-N 3.49Å; Q46-A72 HydrophobicContact CB-CB 3.73Å; Q46-A72 VanDerWaalsContact OE1-CB 3.27Å
47R85.4Confident76.6Confident133 Ų13388.6 Ų88.650%0.50249%0.49SS..EExtended strand (participates in β ladder)trans-77.9127171.4-170.9-177.9-73.4179.4-0.2109.9Y49 T67 Y69R47-Y49 WeakPolarHBondContact CD-OH 3.49Å; R47-Y49 HydrophobicContact CG-CE1 4.37Å; R47-T67 HydrophobicContact CG-CG2 3.3Å; R47-Y69 HydrophobicContact CB-CD1 4.31Å; R47-Y69 HydrophobicContact CB-CE1 4.13Å; R47-Y69 HydrophobicContact CG-CE1 4.1Å; R47-Y69 PolarHBondContact NE-OH 3.48Å; R47-Y69 PolarHBondContact NH2-OH 3.35Å
48V86Confident77.3Confident47 Ų4789.1 Ų89.129%0.28550%0.495SS..EExtended strand (participates in β ladder)trans-125.2130.9177.8-178.90000108.8Q46 I68 R70Q46-V48 HydrophobicContact CG-CG2 4.37Å; V48-I68 HydrophobicContact CB-CD1 4.34Å; V48-I68 HydrophobicContact CB-CG1 3.78Å; V48-I68 HydrophobicContact CG1-CD1 4.31Å; V48-I68 HydrophobicContact CG1-CG1 4.21Å; V48-I68 PolarHBondContact N-O 3.35Å; V48-I68 WeakPolarHBondContact O-CG1 3.31Å; V48-I68 PolarHBondContact O-N 3.08Å; V48-I68 VanDerWaalsContact O-O 3.1Å; V48-R70 HydrophobicContact CG2-CB 4.37Å; V48-R70 HydrophobicContact CG2-CG 4.4Å
49Y83.5Confident77.3Confident126 Ų12692.5 Ų92.549%0.49451%0.506SS..EExtended strand (participates in β ladder)trans-95.3114176.2-58.5-73.9000109R47 P51 Y65 T67R47-Y49 WeakPolarHBondContact CD-OH 3.49Å; R47-Y49 HydrophobicContact CG-CE1 4.37Å; Y49-P51 WeakPolarHBondContact O-CD 3.39Å; Y49-Y65 AromaticContact CD1-CD2 3.59Å; Y49-Y65 HydrophobicContact CD1-CD2 3.59Å; Y49-Y65 AromaticContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CE1-CD2 4.32Å; Y49-Y65 HydrophobicContact CE1-CE2 4.03Å; Y49-Y65 HydrophobicContact CG-CD2 4.34Å; Y49-T67 HydrophobicContact CD1-CG2 4.43Å; Y49-T67 HydrophobicContact CE1-CG2 4.16Å; Y49-T67 WeakPolarHBondContact CE1-OG1 3.37Å
50Q80.9Confident77.7Confident72 Ų7295.7 Ų95.734%0.33651%0.509SS..EExtended strand (participates in β ladder)trans-98.1110.1177.5-174.3175.91.600108.9Y65 R66 I68Q50-Y65 WeakPolarHBondContact O-CA 3.42Å; Q50-R66 HydrophobicContact CB-CG 4Å; Q50-R66 PolarHBondContact N-O 3.49Å; Q50-R66 PolarHBondContact O-N 3.17Å; Q50-R66 VanDerWaalsContact OE1-NE 3.1Å; Q50-I68 HydrophobicContact CB-CD1 4.26Å
51P79.5Confident77.7Confident101 Ų10195.4 Ų95.466%0.65651%0.514SS*.EExtended strand (participates in β ladder)trans-74145176.631.1-33.8000110.1Y49 T64Y49-P51 WeakPolarHBondContact O-CD 3.39Å; P51-T64 WeakPolarHBondContact CA-O 3.37Å
52F75.7Confident77.6Confident84 Ų8493.3 Ų93.337%0.36850%0.499SS..EExtended strand (participates in β ladder)trans-138.2146.6166.660.8-84.7000110T64 R66F52-T64 HydrophobicContact CD1-CG2 4.2Å; F52-T64 HydrophobicContact CD2-CG2 3.87Å; F52-T64 HydrophobicContact CE1-CG2 3.67Å; F52-T64 HydrophobicContact CE2-CG2 3.3Å; F52-T64 HydrophobicContact CG-CG2 4.3Å; F52-T64 HydrophobicContact CZ-CG2 3.2Å; F52-T64 PolarHBondContact N-O 3.45Å; F52-T64 PolarHBondContact O-N 3.18Å; F52-T64 VanDerWaalsContact O-N 3.1Å; F52-R66 HydrophobicContact CD1-CG 4.45Å; F52-R66 HydrophobicContact CE1-CB 4.08Å; F52-R66 HydrophobicContact CE1-CG 4.32Å
53L73.4Confident77.3Confident128 Ų12894.6 Ų94.667%0.6752%0.516SS*.EExtended strand (participates in β ladder)trans-110.4124.2-176.4-81.1150.6000108.1A61 C62L53-A61 HydrophobicContact CD2-CB 4.1Å; L53-C62 WeakPolarHBondContact CA-O 3.49Å
54T73.5Confident77.1Confident56 Ų5692.4 Ų92.434%0.34450%0.499SS..EExtended strand (participates in β ladder)trans-101.9119.7169.8-49.20000107.7A61 C62T54-A61 WeakPolarHBondContact O-CA 3.48Å; T54-C62 PolarHBondContact N-O 2.79Å; T54-C62 PolarHBondContact O-N 3.17Å
55T76.5Confident76.8Confident123 Ų12395.7 Ų95.776%0.75551%0.51SS*.EExtended strand (participates in β ladder)trans-79.9123.1173.549.60000109.3
56C74.4Confident76.3Confident26 Ų2695.3 Ų95.318%0.17650%0.497CS..EExtended strand (participates in β ladder)trans-95.4162.5172.1-58.70000110.2R60 C269C56-R60 WeakPolarHBondContact CA-O 3.4Å; C56-R60 HydrophobicContact CB-CB 4.13Å; C56-R60 WeakPolarHBondContact CB-O 3.37Å; C56-R60 PolarHBondContact N-O 3.48Å; C56-C269 HydrophobicContact CB-CB 3.88Å; C56-C269 WeakPolarHBondContact CB-SG 3.42Å; C56-C269 WeakPolarHBondContact SG-CB 3.19Å; C56-C269 CovalentContact SG-SG 2.05Å; C56-C269 PolarHBondContact SG-SG 3.48Å
57D76.8Confident76Confident132 Ų13292.8 Ų92.871%0.70649%0.488SS*.THydrogen-bonded Turntrans-56.1140173.5-67.6-38.1000111.8
58G71.7Confident75.7Confident61 Ų6187.7 Ų87.763%0.62947%0.47SS*.THydrogen-bonded Turntrans81.631.4178.900000115.1R60G58-R60 PolarHBondContact O-N 2.79Å
59H58.3Low75.4Confident200 Ų20091.8 Ų91.893%0.92648%0.482SS*.THydrogen-bonded Turntrans64.119.6176.3-56.145.4000114.1
60R72Confident75.3Confident142 Ų14293 Ų9354%0.53649%0.485SS..EExtended strand (participates in β ladder)trans-86.5139.3172.8-71.2-175.2-86.7-160.9-0.8109.1C56 G58 D272C56-R60 WeakPolarHBondContact CA-O 3.4Å; C56-R60 HydrophobicContact CB-CB 4.13Å; C56-R60 WeakPolarHBondContact CB-O 3.37Å; C56-R60 PolarHBondContact N-O 3.48Å; G58-R60 PolarHBondContact O-N 2.79Å; R60-D272 IonicContact CZ-OD2 3.69Å; R60-D272 IonicContact NH1-OD2 2.97Å; R60-D272 PolarHBondContact NH1-OD2 3.37Å; R60-D272 IonicContact NH2-OD2 3.43Å; R60-D272 PolarHBondContact NH2-OD2 2.85Å
61A71.2Confident75.4Confident69 Ų6993.7 Ų93.757%0.5750%0.495SS*.EExtended strand (participates in β ladder)trans-122132.8176.800000110.3L53 T54L53-A61 HydrophobicContact CD2-CB 4.1Å; T54-A61 WeakPolarHBondContact O-CA 3.48Å
62C76.3Confident75.7Confident37 Ų3789.6 Ų89.625%0.2547%0.469CS..EExtended strand (participates in β ladder)trans-99.2118.9168.6-1530000108L53 T54 C267L53-C62 WeakPolarHBondContact CA-O 3.49Å; T54-C62 PolarHBondContact N-O 2.79Å; T54-C62 PolarHBondContact O-N 3.17Å; C62-C267 HydrophobicContact CB-CB 3.77Å; C62-C267 WeakPolarHBondContact CB-SG 3.47Å; C62-C267 WeakPolarHBondContact SG-CB 3.21Å; C62-C267 CovalentContact SG-SG 2.05Å; C62-C267 PolarHBondContact SG-SG 3.39Å
63S72.9Confident76Confident93 Ų9393.2 Ų93.265%0.6548%0.482SS*.EExtended strand (participates in β ladder)trans-96.7130.5169.558.30000109.5
64T77.3Confident76.5Confident33 Ų3393.9 Ų93.920%0.20248%0.475CS..EExtended strand (participates in β ladder)trans-138.1171.9169.4-175.90000108.6P51 F52P51-T64 WeakPolarHBondContact CA-O 3.37Å; F52-T64 HydrophobicContact CD1-CG2 4.2Å; F52-T64 HydrophobicContact CD2-CG2 3.87Å; F52-T64 HydrophobicContact CE1-CG2 3.67Å; F52-T64 HydrophobicContact CE2-CG2 3.3Å; F52-T64 HydrophobicContact CG-CG2 4.3Å; F52-T64 HydrophobicContact CZ-CG2 3.2Å; F52-T64 PolarHBondContact N-O 3.45Å; F52-T64 PolarHBondContact O-N 3.18Å; F52-T64 VanDerWaalsContact O-N 3.1Å
65Y76.1Confident76.8Confident149 Ų149101 Ų10158%0.58450%0.496SS*.EExtended strand (participates in β ladder)trans-129.8144.1178.662.5-90.7000110.1Y49 Q50Y49-Y65 AromaticContact CD1-CD2 3.59Å; Y49-Y65 HydrophobicContact CD1-CD2 3.59Å; Y49-Y65 AromaticContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CD1-CE2 3.77Å; Y49-Y65 HydrophobicContact CE1-CD2 4.32Å; Y49-Y65 HydrophobicContact CE1-CE2 4.03Å; Y49-Y65 HydrophobicContact CG-CD2 4.34Å; Q50-Y65 WeakPolarHBondContact O-CA 3.42Å
66R76.7Confident76.5Confident96 Ų9695.9 Ų95.936%0.36247%0.465SS..EExtended strand (participates in β ladder)trans-103.6142.916563.8177.1-172.3-176.44.3110Q50 F52 I68Q50-R66 HydrophobicContact CB-CG 4Å; Q50-R66 PolarHBondContact N-O 3.49Å; Q50-R66 PolarHBondContact O-N 3.17Å; Q50-R66 VanDerWaalsContact OE1-NE 3.1Å; F52-R66 HydrophobicContact CD1-CG 4.45Å; F52-R66 HydrophobicContact CE1-CB 4.08Å; F52-R66 HydrophobicContact CE1-CG 4.32Å; R66-I68 HydrophobicContact CG-CG2 4.07Å
67T78.3Confident76Confident40 Ų40100.5 Ų100.525%0.24550%0.495CS..EExtended strand (participates in β ladder)trans-88.1113.9174.8-57.50000108R47 Y49 Y69R47-T67 HydrophobicContact CG-CG2 3.3Å; Y49-T67 HydrophobicContact CD1-CG2 4.43Å; Y49-T67 HydrophobicContact CE1-CG2 4.16Å; Y49-T67 WeakPolarHBondContact CE1-OG1 3.37Å; T67-Y69 HydrophobicContact CG2-CE2 4.14Å
68I78.2Confident75.1Confident26 Ų2695.2 Ų95.213%0.13347%0.471CS..EExtended strand (participates in β ladder)trans-108.3143.2172.567.7179000109.2V48 Q50 R66 R70V48-I68 HydrophobicContact CB-CD1 4.34Å; V48-I68 HydrophobicContact CB-CG1 3.78Å; V48-I68 HydrophobicContact CG1-CD1 4.31Å; V48-I68 HydrophobicContact CG1-CG1 4.21Å; V48-I68 PolarHBondContact N-O 3.35Å; V48-I68 WeakPolarHBondContact O-CG1 3.31Å; V48-I68 PolarHBondContact O-N 3.08Å; V48-I68 VanDerWaalsContact O-O 3.1Å; Q50-I68 HydrophobicContact CB-CD1 4.26Å; R66-I68 HydrophobicContact CG-CG2 4.07Å; I68-R70 HydrophobicContact CD1-CG 4.35Å; I68-R70 VanDerWaalsContact CD1-NE 3.34Å; I68-R70 HydrophobicContact CG1-CG 4.44Å
69Y79.9Confident74.4Confident133 Ų133100.1 Ų100.152%0.52248%0.482SS..EExtended strand (participates in β ladder)trans-102.6123.7175.1-66-83.6000108.3V45 Q46 R47 T67V45-Y69 HydrophobicContact CG1-CD1 3.7Å; V45-Y69 HydrophobicContact CG1-CG 4.15Å; Q46-Y69 WeakPolarHBondContact O-CA 3.37Å; R47-Y69 HydrophobicContact CB-CD1 4.31Å; R47-Y69 HydrophobicContact CB-CE1 4.13Å; R47-Y69 HydrophobicContact CG-CE1 4.1Å; R47-Y69 PolarHBondContact NE-OH 3.48Å; R47-Y69 PolarHBondContact NH2-OH 3.35Å; T67-Y69 HydrophobicContact CG2-CE2 4.14Å
70R81.8Confident74.3Confident151 Ų15195 Ų9557%0.5748%0.475SS*.EExtended strand (participates in β ladder)trans-120.5141.6178.2-68.7-171.3173.8-173.5-0.7110.1Q46 V48 I68 A72Q46-R70 PolarHBondContact N-O 3.28Å; Q46-R70 PolarHBondContact O-N 3.49Å; V48-R70 HydrophobicContact CG2-CB 4.37Å; V48-R70 HydrophobicContact CG2-CG 4.4Å; I68-R70 HydrophobicContact CD1-CG 4.35Å; I68-R70 VanDerWaalsContact CD1-NE 3.34Å; I68-R70 HydrophobicContact CG1-CG 4.44Å; R70-A72 PolarHBondContact O-N 3.36Å
71T83.1Confident73.5Confident88 Ų8892.9 Ų92.954%0.5448%0.479SS..EExtended strand (participates in β ladder)trans-70.7121.2172.5-49.80000109.1Y73T71-Y73 HydrophobicContact CG2-CE2 4.43Å
72A84.8Confident72.9Confident14 Ų1492.8 Ų92.812%0.11648%0.478CS..EExtended strand (participates in β ladder)trans-118.1159.1175.800000110S43 F44 Q46 R70S43-A72 CarbonylContact C-O 3.55Å; S43-A72 WeakPolarHBondContact CA-O 3.1Å; F44-A72 HydrophobicContact CD1-CB 4.21Å; F44-A72 VanDerWaalsContact CD1-O 3.31Å; F44-A72 WeakPolarHBondContact CD1-O 3.47Å; F44-A72 HydrophobicContact CE1-CB 3.62Å; F44-A72 HydrophobicContact CE2-CB 4Å; F44-A72 HydrophobicContact CZ-CB 3.5Å; F44-A72 PolarHBondContact N-O 3.11Å; F44-A72 PolarHBondContact O-N 3.21Å; Q46-A72 HydrophobicContact CB-CB 3.73Å; Q46-A72 VanDerWaalsContact OE1-CB 3.27Å; R70-A72 PolarHBondContact O-N 3.36Å
73Y83.5Confident72.2Confident160 Ų160101.9 Ų101.963%0.62751%0.508SS*.EExtended strand (participates in β ladder)trans-120.8132.4-176.8-61.5-91.2000109.4E42 T71E42-Y73 WeakPolarHBondContact O-CA 3.06Å; T71-Y73 HydrophobicContact CG2-CE2 4.43Å
74R82.4Confident71.8Confident143 Ų143100.5 Ų100.554%0.5450%0.496SS..EExtended strand (participates in β ladder)trans-121.9150.7169.267.6-178.3-173.5-174.50.5109.6E42 F44E42-R74 HydrophobicContact CB-CG 4.39Å; E42-R74 PolarHBondContact N-O 3.13Å; E42-R74 PolarHBondContact O-N 3.38Å; E42-R74 IonicContact OE2-CZ 3.87Å; E42-R74 IonicContact OE2-NE 3.49Å; E42-R74 PolarHBondContact OE2-NE 2.82Å; E42-R74 IonicContact OE2-NH2 3.28Å; E42-R74 PolarHBondContact OE2-NH2 2.87Å; F44-R74 HydrophobicContact CD1-CB 4.29Å; F44-R74 HydrophobicContact CD1-CG 4.02Å; F44-R74 HydrophobicContact CE1-CB 3.93Å; F44-R74 HydrophobicContact CE1-CG 4.15Å
75R81.6Confident71.6Confident204 Ų204108.1 Ų108.177%0.7752%0.521SS*.EExtended strand (participates in β ladder)trans-89.5108.7169.1-66.2-174.5-177.8-163.30.1107.4P39P39-R75 HydrophobicContact CB-CB 4.36Å
76S69.3Low71.8Confident17 Ų17107.7 Ų107.712%0.11952%0.52CS..EExtended strand (participates in β ladder)trans-81.3142.5165.551.50000108.2V40 E42 G78V40-S76 PolarHBondContact N-O 2.82Å; V40-S76 PolarHBondContact O-N 2.92Å; V40-S76 PolarHBondContact O-OG 3.19Å; E42-S76 WeakPolarHBondContact OE1-CB 3.18Å; E42-S76 PolarHBondContact OE1-OG 3.11Å; S76-G78 PolarHBondContact O-N 2.84Å
77P63.6Low72.2Confident123 Ų123105.2 Ų105.280%0.79952%0.519SS*.PPolyproline II helixtrans-54.6116.6159.8-15.227.9000105.5L79P77-L79 PolarHBondContact O-N 3.36Å
78G58.8Low72.7Confident20 Ų20104.8 Ų104.821%0.20652%0.518CS..PPolyproline II helixtrans-49.6140.8-179.300000109.5S76 A80S76-G78 PolarHBondContact O-N 2.84Å; G78-A80 PolarHBondContact O-N 3.49Å
79L57.2Low73.2Confident165 Ų165104.1 Ų104.186%0.86452%0.516SS*.SBendtrans-42.2129.7175.4-80.9123.1000109.7P77P77-L79 PolarHBondContact O-N 3.36Å
80A55.6Low73.7Confident93 Ų93102.9 Ų102.977%0.76952%0.524SS*.SBendtrans-49.5155.5-175.800000112.6G78G78-A80 PolarHBondContact O-N 3.49Å
81P54.1Low74.1Confident96 Ų9696.8 Ų96.862%0.62351%0.508SS*.  -62.5139.7-12332.8-30.2000112.4R83P81-R83 PolarHBondContact O-N 2.98Å
82A59.4Low74.5Confident67 Ų6794.2 Ų94.255%0.55449%0.488SS*.  trans-43.7130.6155.100000108A35A35-A82 HydrophobicContact CB-CB 4.22Å
83R61.5Low74.8Confident229 Ų22999.2 Ų99.286%0.86451%0.508SS*.SBendtrans-32.7130.3-179.8-68.7178.3174.3-166.9-1.8110.5P81 R85P81-R83 PolarHBondContact O-N 2.98Å; R83-R85 PolarHBondContact O-N 3.19Å
84P64.8Low75Confident64 Ų6499.9 Ų99.942%0.41651%0.509SS..PPolyproline II helixtrans-52.2122-173.820.3-32.2000109.4A32 Y86A32-P84 HydrophobicContact CB-CB 4.44Å; P84-Y86 HydrophobicContact CG-CE2 4.33Å; P84-Y86 WeakPolarHBondContact O-CD2 3.43Å; P84-Y86 WeakPolarHBondContact O-CE2 3.37Å; P84-Y86 PolarHBondContact O-N 3.48Å
85R73.5Confident75.1Confident193 Ų19395.3 Ų95.373%0.72850%0.497SS*.EExtended strand (participates in β ladder)trans-74.9125.1176.2-72.6-173.9176.5-124.92.8107.1V33 R83V33-R85 PolarHBondContact N-O 3.06Å; R83-R85 PolarHBondContact O-N 3.19Å
86Y79.5Confident75.1Confident140 Ų14091.1 Ų91.155%0.54950%0.499SS..EExtended strand (participates in β ladder)trans-93.4123.7177.2-66.3-70.3000109.5V30 A32 P84V30-Y86 HydrophobicContact CG1-CD1 3.9Å; V30-Y86 HydrophobicContact CG1-CG 4.12Å; A32-Y86 HydrophobicContact CB-CE1 4.32Å; P84-Y86 HydrophobicContact CG-CE2 4.33Å; P84-Y86 WeakPolarHBondContact O-CD2 3.43Å; P84-Y86 WeakPolarHBondContact O-CE2 3.37Å; P84-Y86 PolarHBondContact O-N 3.48Å
87A85.7Confident75.3Confident43 Ų4394.1 Ų94.136%0.35553%0.532SS..EExtended strand (participates in β ladder)trans-124.9168.317400000110.4V30 C31 V33V30-A87 CarbonylContact C-O 3.16Å; V30-A87 WeakPolarHBondContact CA-O 3.47Å; C31-A87 PolarHBondContact N-O 3.48Å; C31-A87 PolarHBondContact O-N 3.44Å; V33-A87 HydrophobicContact CG2-CB 3.53Å
88C88.4Confident75.8Confident32 Ų3293.4 Ų93.422%0.21652%0.521CS..EExtended strand (participates in β ladder)trans-65.1139.6169.5-61.20000109.6W92 C102C88-W92 HydrophobicContact CB-CB 4.21Å; C88-W92 WeakPolarHBondContact CB-O 3.43Å; C88-C102 WeakPolarHBondContact CA-SG 3.49Å; C88-C102 HydrophobicContact CB-CB 3.6Å; C88-C102 WeakPolarHBondContact CB-SG 3.44Å; C88-C102 WeakPolarHBondContact SG-CB 3.38Å; C88-C102 CovalentContact SG-SG 2.04Å; C88-C102 PolarHBondContact SG-SG 3.37Å
89C89.3Confident76.2Confident12 Ų1298.8 Ų98.88%0.08155%0.552CS.*PPolyproline II helixtrans-60.4155.5174.9-66.30000111R29 C31 G91 W92R29-C89 VanDerWaalsContact C-SG 3.57Å; R29-C89 PolarHBondContact O-N 3.38Å; C31-C89 HydrophobicContact CB-CB 4.08Å; C31-C89 WeakPolarHBondContact CB-SG 3.5Å; C31-C89 PolarHBondContact N-SG 3.48Å; C31-C89 VanDerWaalsContact SG-CA 3.51Å; C31-C89 WeakPolarHBondContact SG-CB 3.5Å; C31-C89 CovalentContact SG-SG 2.05Å; C31-C89 PolarHBondContact SG-SG 3Å; C89-G91 PolarHBondContact O-N 3.01Å; C89-W92 WeakPolarHBondContact O-CB 3.33Å; C89-W92 PolarHBondContact O-N 3.49Å
90P89.6Confident76.8Confident106 Ų10692.9 Ų92.969%0.68853%0.531SS*.THydrogen-bonded Turntrans-48.1131.1177.8-28.735.5000112.2
91G91Very high78Confident24 Ų2489.9 Ų89.925%0.24751%0.507CS..THydrogen-bonded Turntrans84.60.5-177.300000115.8C89 I106 P120C89-G91 PolarHBondContact O-N 3.01Å; G91-I106 WeakPolarHBondContact O-CB 3.42Å; G91-I106 PolarHBondContact O-N 2.86Å; G91-P120 WeakPolarHBondContact O-CG 3.48Å
92W90.9Very high79.6Confident33 Ų3385.7 Ų85.713%0.12548%0.48CS..EExtended strand (participates in β ladder)trans-119.1144.4177.7-62.487000111.8R29 C88 C89 C102 G103 A104 A105 I106 P120R29-W92 HydrophobicContact CB-CD2 4.39Å; R29-W92 HydrophobicContact CB-CG 4.22Å; R29-W92 VanDerWaalsContact CD-CE2 3.47Å; R29-W92 HydrophobicContact CG-CD2 4.45Å; C88-W92 HydrophobicContact CB-CB 4.21Å; C88-W92 WeakPolarHBondContact CB-O 3.43Å; C89-W92 WeakPolarHBondContact O-CB 3.33Å; C89-W92 PolarHBondContact O-N 3.49Å; W92-C102 HydrophobicContact CB-CB 4.43Å; W92-G103 WeakPolarHBondContact CZ3-O 3.03Å; W92-A104 CarbonylContact C-O 3.58Å; W92-A104 WeakPolarHBondContact CA-O 3.5Å; W92-A105 HydrophobicContact CE3-CB 4.37Å; W92-A105 HydrophobicContact CH2-CB 4.1Å; W92-A105 HydrophobicContact CZ3-CB 3.96Å; W92-I106 WeakPolarHBondContact O-CD1 3.37Å; W92-P120 VanDerWaalsContact CZ2-CD 3.44Å; W92-P120 HydrophobicContact CZ2-CG 3.92Å
93K90.1Very high80.9Confident119 Ų11984.4 Ų84.452%0.51747%0.473SS..EExtended strand (participates in β ladder)trans-125.3167.4172.968.8-176.8178.1178.20110.4C102 G103 A104 I106K93-C102 CarbonylContact O-C 3.57Å; K93-C102 WeakPolarHBondContact O-CA 3.47Å; K93-G103 PolarHBondContact O-N 3.02Å; K93-A104 HydrophobicContact CD-CB 4.39Å; K93-A104 HydrophobicContact CG-CB 3.6Å; K93-A104 WeakPolarHBondContact CG-O 3.36Å; K93-A104 PolarHBondContact N-O 3.48Å; K93-A104 PolarHBondContact O-N 3.02Å; K93-I106 HydrophobicContact CB-CD1 4.06Å; K93-I106 HydrophobicContact CB-CG1 3.93Å; K93-I106 HydrophobicContact CD-CG1 4.23Å; K93-I106 HydrophobicContact CG-CG1 4.1Å
94R88.6Confident82.3Confident175 Ų17574.7 Ų74.766%0.6644%0.442SS*.PPolyproline II helixtrans-63.6138.7177.4-65.5-176.4178.3-170.30.1110.5A101R94-A101 CarbonylContact C-O 3.38Å; R94-A101 VanDerWaalsContact CA-O 3.31Å; R94-A101 WeakPolarHBondContact CA-O 3.34Å
95T85.7Confident83.6Confident46 Ų4672.1 Ų72.128%0.28243%0.426SS..PPolyproline II helixtrans-73.6132.6172.2-47.10000109.2G97 L98 A101 G103T95-G97 PolarHBondContact O-N 3.47Å; T95-L98 PolarHBondContact O-N 3.28Å; T95-A101 PolarHBondContact N-O 2.98Å; T95-A101 PolarHBondContact OG1-O 3.48Å; T95-G103 WeakPolarHBondContact OG1-CA 3.43Å; T95-G103 PolarHBondContact OG1-N 3.47Å; T95-G103 VanDerWaalsContact OG1-N 3.1Å
96S79.6Confident84.5Confident117 Ų11765.8 Ų65.882%0.81841%0.406SS*.THydrogen-bonded Turntrans-60.6130.2172.142.90000109.9
97G75.4Confident85.2Confident79 Ų7960 Ų6081%0.81439%0.385SS*.THydrogen-bonded Turntrans90.8-6.5178.300000116.5T95T95-G97 PolarHBondContact O-N 3.47Å
98L73.3Confident85.6Confident108 Ų10866 Ų6657%0.56541%0.406SS*.SBendtrans-128.3100.5176.1-83.8154.9000110.9T95 G100 A101T95-L98 PolarHBondContact O-N 3.28Å; L98-G100 PolarHBondContact O-N 3.49Å; L98-G100 VanDerWaalsContact O-N 3.14Å; L98-A101 HydrophobicContact CB-CB 3.95Å; L98-A101 PolarHBondContact O-N 2.66Å
99P67.1Low85.9Confident133 Ų13368.3 Ų68.386%0.86442%0.421SS*.THydrogen-bonded Turntrans-63.2117.617915.2-17.8000110.8
100G69.8Low86.1Confident41 Ų4172 Ų7242%0.42345%0.445SS..THydrogen-bonded Turntrans94.3-0.1175.200000116.3L98L98-G100 PolarHBondContact O-N 3.49Å; L98-G100 VanDerWaalsContact O-N 3.14Å
101A81.3Confident86.5Confident31 Ų3168.2 Ų68.226%0.25642%0.42SS..  trans-92.3119.7174.300000111.2R94 T95 L98 G103R94-A101 CarbonylContact C-O 3.38Å; R94-A101 VanDerWaalsContact CA-O 3.31Å; R94-A101 WeakPolarHBondContact CA-O 3.34Å; T95-A101 PolarHBondContact N-O 2.98Å; T95-A101 PolarHBondContact OG1-O 3.48Å; L98-A101 HydrophobicContact CB-CB 3.95Å; L98-A101 PolarHBondContact O-N 2.66Å; A101-G103 VanDerWaalsContact C-N 3.32Å; A101-G103 PolarHBondContact O-N 3.21Å
102C88Confident86.7Confident7 Ų774.5 Ų74.55%0.04744%0.437CS..  trans-91.462.8176.1-63.70000110.8R28 R29 V30 C88 W92 K93R28-C102 WeakPolarHBondContact O-CB 3.48Å; R29-C102 HydrophobicContact CB-CB 4.26Å; R29-C102 WeakPolarHBondContact CB-O 3.02Å; R29-C102 WeakPolarHBondContact CD-O 3.08Å; R29-C102 VanDerWaalsContact O-CB 3.28Å; R29-C102 WeakPolarHBondContact O-CB 3.02Å; V30-C102 HydrophobicContact CG2-CB 4.47Å; C88-C102 WeakPolarHBondContact CA-SG 3.49Å; C88-C102 HydrophobicContact CB-CB 3.6Å; C88-C102 WeakPolarHBondContact CB-SG 3.44Å; C88-C102 WeakPolarHBondContact SG-CB 3.38Å; C88-C102 CovalentContact SG-SG 2.04Å; C88-C102 PolarHBondContact SG-SG 3.37Å; W92-C102 HydrophobicContact CB-CB 4.43Å; K93-C102 CarbonylContact O-C 3.57Å; K93-C102 WeakPolarHBondContact O-CA 3.47Å
103G86.6Confident87Confident40 Ų4076.2 Ų76.241%0.41245%0.448SS..  trans-99.4-11-173.600000115.4W92 K93 T95 A101W92-G103 WeakPolarHBondContact CZ3-O 3.03Å; K93-G103 PolarHBondContact O-N 3.02Å; T95-G103 WeakPolarHBondContact OG1-CA 3.43Å; T95-G103 PolarHBondContact OG1-N 3.47Å; T95-G103 VanDerWaalsContact OG1-N 3.1Å; A101-G103 VanDerWaalsContact C-N 3.32Å; A101-G103 PolarHBondContact O-N 3.21Å
104A89.4Confident87.2Confident26 Ų2673.8 Ų73.822%0.21546%0.457CS..EExtended strand (participates in β ladder)trans-94.9126.4-177.900000110.7W92 K93W92-A104 CarbonylContact C-O 3.58Å; W92-A104 WeakPolarHBondContact CA-O 3.5Å; K93-A104 HydrophobicContact CD-CB 4.39Å; K93-A104 HydrophobicContact CG-CB 3.6Å; K93-A104 WeakPolarHBondContact CG-O 3.36Å; K93-A104 PolarHBondContact N-O 3.48Å; K93-A104 PolarHBondContact O-N 3.02Å
105A92.3Very high87.6Confident10 Ų1066.2 Ų66.28%0.08343%0.433CS..EExtended strand (participates in β ladder)trans-73.3152.5175.400000111.7W92 C117W92-A105 HydrophobicContact CE3-CB 4.37Å; W92-A105 HydrophobicContact CH2-CB 4.1Å; W92-A105 HydrophobicContact CZ3-CB 3.96Å; A105-C117 VanDerWaalsContact CB-SG 3.56Å
106I93.4Very high88Confident60 Ų6066.5 Ų66.531%0.30844%0.437SS..  trans-106.4119.8173.7-56.5173.4000107.9G91 W92 K93 Q108 C117 P120 G121G91-I106 WeakPolarHBondContact O-CB 3.42Å; G91-I106 PolarHBondContact O-N 2.86Å; W92-I106 WeakPolarHBondContact O-CD1 3.37Å; K93-I106 HydrophobicContact CB-CD1 4.06Å; K93-I106 HydrophobicContact CB-CG1 3.93Å; K93-I106 HydrophobicContact CD-CG1 4.23Å; K93-I106 HydrophobicContact CG-CG1 4.1Å; I106-Q108 HydrophobicContact CG2-CG 4.18Å; I106-C117 VanDerWaalsContact C-SG 3.6Å; I106-P120 WeakPolarHBondContact O-CA 3.09Å; I106-G121 PolarHBondContact O-N 3.02Å; I106-G121 VanDerWaalsContact O-N 3.13Å
107C94.6Very high88.8Confident17 Ų1763 Ų6312%0.11541%0.413CS..  trans-111.3121.7171.2-68.60000108.1P109 C117 Q119C107-P109 CarbonylContact C-O 3.41Å; C107-P109 CarbonylContact O-C 3.58Å; C107-C117 HydrophobicContact CB-CB 3.89Å; C107-C117 WeakPolarHBondContact CB-SG 3.42Å; C107-C117 PolarHBondContact N-SG 3.3Å; C107-C117 WeakPolarHBondContact SG-CB 3.46Å; C107-C117 CovalentContact SG-SG 2.04Å; C107-C117 PolarHBondContact SG-SG 3.49Å; C107-Q119 PolarHBondContact SG-O 3.46Å
108Q93.7Very high89.6Confident170 Ų17062.6 Ų62.679%0.79439%0.391SS*.SBendtrans-129.4111.6172.1-74.1-174.3-14.400107.4I106I106-Q108 HydrophobicContact CG2-CG 4.18Å
109P93.9Very high90.5Very high81 Ų8161.7 Ų61.753%0.52638%0.384SS..SBendcis-64.9159.90.9-7.621.6000113.1C107 T133C107-P109 CarbonylContact C-O 3.41Å; C107-P109 CarbonylContact O-C 3.58Å; P109-T133 HydrophobicContact CB-CG2 4.14Å; P109-T133 HydrophobicContact CG-CG2 4.01Å
110P94.9Very high91.7Very high89 Ų8958 Ų5858%0.57836%0.36SS*.PPolyproline II helixtrans-65.9150.2174.429.1-34.7000111.1R112P110-R112 PolarHBondContact O-N 3.12Å
111C96.7Very high92.7Very high26 Ų2658.6 Ų58.618%0.17637%0.366CS..PPolyproline II helixtrans-63130.2173-48.30000110.1G115 C123C111-G115 WeakPolarHBondContact CB-O 3.37Å; C111-C123 WeakPolarHBondContact CA-SG 3.49Å; C111-C123 HydrophobicContact CB-CB 3.78Å; C111-C123 WeakPolarHBondContact CB-SG 3.42Å; C111-C123 VanDerWaalsContact SG-CA 3.56Å; C111-C123 WeakPolarHBondContact SG-CB 3.46Å; C111-C123 CovalentContact SG-SG 2.02Å; C111-C123 PolarHBondContact SG-SG 3.49Å
112R96.4Very high93.3Very high156 Ų15664.1 Ų64.159%0.58938%0.38SS*.PPolyproline II helixtrans-93.8173.2179.8-61.8-171.5174.2-146.8-0.9111.1P110 G114 G115 T133 C134P110-R112 PolarHBondContact O-N 3.12Å; R112-G114 VanDerWaalsContact C-N 3.26Å; R112-G114 PolarHBondContact O-N 3.36Å; R112-G114 VanDerWaalsContact O-N 3.09Å; R112-G115 PolarHBondContact O-N 3.32Å; R112-T133 PolarHBondContact N-O 2.96Å; R112-C134 WeakPolarHBondContact O-CB 3.46Å
113N96.6Very high93.7Very high69 Ų6964.7 Ų64.737%0.36938%0.384SS..THydrogen-bonded Turntrans51.438.5170.3-56.1-43.2000114.8G115 P126 W129 C134N113-G115 VanDerWaalsContact C-N 3.33Å; N113-G115 PolarHBondContact O-N 3.14Å; N113-P126 WeakPolarHBondContact O-CG 3.06Å; N113-W129 HydrophobicContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CE2 3.45Å; N113-W129 HydrophobicContact CB-CE3 3.89Å; N113-W129 HydrophobicContact CB-CG 3.85Å; N113-W129 HydrophobicContact CB-CH2 4.23Å; N113-W129 HydrophobicContact CB-CZ2 3.84Å; N113-W129 HydrophobicContact CB-CZ3 4.27Å; N113-W129 VanDerWaalsContact CG-CH2 3.5Å; N113-W129 WeakPolarHBondContact ND2-CH2 3.4Å; N113-W129 WeakPolarHBondContact ND2-CZ3 3.15Å; N113-C134 PolarHBondContact ND2-O 3.35Å
114G94.8Very high94.2Very high68 Ų6870.1 Ų70.170%0.70139%0.392SS*.THydrogen-bonded Turntrans79.19.2-179.500000115.2R112R112-G114 VanDerWaalsContact C-N 3.26Å; R112-G114 PolarHBondContact O-N 3.36Å; R112-G114 VanDerWaalsContact O-N 3.09Å
115G96Very high94.6Very high16 Ų1670.8 Ų70.817%0.16539%0.394CS..  trans-60.8144.4174.800000113.8C111 R112 N113 R124C111-G115 WeakPolarHBondContact CB-O 3.37Å; R112-G115 PolarHBondContact O-N 3.32Å; N113-G115 VanDerWaalsContact C-N 3.33Å; N113-G115 PolarHBondContact O-N 3.14Å; G115-R124 WeakPolarHBondContact CA-O 3.33Å
116S95.4Very high94.8Very high52 Ų5272.7 Ų72.736%0.36441%0.406SS..EExtended strand (participates in β ladder)trans-102.7130.2177.4-610000111.3I118 R124S116-I118 PolarHBondContact O-N 3.21Å; S116-R124 PolarHBondContact N-O 2.92Å; S116-R124 PolarHBondContact O-N 3.39Å
117C94.9Very high94.8Very high45 Ų4574.3 Ų74.330%0.30443%0.428SS..EExtended strand (participates in β ladder)trans-76.6107.5174.2-172.50000110.2A105 I106 C107A105-C117 VanDerWaalsContact CB-SG 3.56Å; I106-C117 VanDerWaalsContact C-SG 3.6Å; C107-C117 HydrophobicContact CB-CB 3.89Å; C107-C117 WeakPolarHBondContact CB-SG 3.42Å; C107-C117 PolarHBondContact N-SG 3.3Å; C107-C117 WeakPolarHBondContact SG-CB 3.46Å; C107-C117 CovalentContact SG-SG 2.04Å; C107-C117 PolarHBondContact SG-SG 3.49Å
118I92.8Very high94.8Very high69 Ų6974 Ų7435%0.35443%0.427SS..EExtended strand (participates in β ladder)trans-97.5-29.5-174.154.5162.8000112.9S116 R122 R124S116-I118 PolarHBondContact O-N 3.21Å; I118-R122 HydrophobicContact CD1-CG 4.22Å; I118-R122 HydrophobicContact CG1-CB 4.47Å; I118-R122 HydrophobicContact CG1-CG 4.19Å; I118-R122 VanDerWaalsContact CG1-O 3.32Å; I118-R122 WeakPolarHBondContact CG1-O 3.4Å; I118-R122 PolarHBondContact N-O 3.45Å; I118-R124 HydrophobicContact CD1-CB 4.14Å; I118-R124 HydrophobicContact CG1-CB 4.24Å; I118-R124 HydrophobicContact CG2-CB 3.63Å
119Q91.5Very high94.9Very high89 Ų8968.3 Ų68.342%0.41640%0.399SS..EExtended strand (participates in β ladder)trans-144.7163175.5-61.8-179.3-8600108.8C107 G121 R122C107-Q119 PolarHBondContact SG-O 3.46Å; Q119-G121 PolarHBondContact O-N 3.46Å; Q119-G121 VanDerWaalsContact O-N 3.1Å; Q119-R122 HydrophobicContact CB-CB 3.99Å; Q119-R122 PolarHBondContact N-O 3.24Å; Q119-R122 PolarHBondContact O-N 3.21Å
120P92Very high95Very high56 Ų5669.5 Ų69.536%0.36440%0.398SS..THydrogen-bonded Turntrans-51.3120.5175.8-26.634000111G91 W92 I106 R122G91-P120 WeakPolarHBondContact O-CG 3.48Å; W92-P120 VanDerWaalsContact CZ2-CD 3.44Å; W92-P120 HydrophobicContact CZ2-CG 3.92Å; I106-P120 WeakPolarHBondContact O-CA 3.09Å; P120-R122 PolarHBondContact O-N 3.27Å
121G91Very high95Very high53 Ų5367 Ų6755%0.54639%0.388SS..THydrogen-bonded Turntrans67.77.6-17800000116.3I106 Q119I106-G121 PolarHBondContact O-N 3.02Å; I106-G121 VanDerWaalsContact O-N 3.13Å; Q119-G121 PolarHBondContact O-N 3.46Å; Q119-G121 VanDerWaalsContact O-N 3.1Å
122R94.3Very high94.8Very high148 Ų14872.3 Ų72.356%0.55841%0.414SS*.EExtended strand (participates in β ladder)trans-120.2116.8-179.9-171.1-179.2-179.1165.15.5111.7I118 Q119 P120I118-R122 HydrophobicContact CD1-CG 4.22Å; I118-R122 HydrophobicContact CG1-CB 4.47Å; I118-R122 HydrophobicContact CG1-CG 4.19Å; I118-R122 VanDerWaalsContact CG1-O 3.32Å; I118-R122 WeakPolarHBondContact CG1-O 3.4Å; I118-R122 PolarHBondContact N-O 3.45Å; Q119-R122 HydrophobicContact CB-CB 3.99Å; Q119-R122 PolarHBondContact N-O 3.24Å; Q119-R122 PolarHBondContact O-N 3.21Å; P120-R122 PolarHBondContact O-N 3.27Å
123C96.9Very high94.8Very high18 Ų1865.9 Ų65.912%0.12239%0.393CS..EExtended strand (participates in β ladder)trans-91.5145.5174.1-62.70000111.8C111 D132C111-C123 WeakPolarHBondContact CA-SG 3.49Å; C111-C123 HydrophobicContact CB-CB 3.78Å; C111-C123 WeakPolarHBondContact CB-SG 3.42Å; C111-C123 VanDerWaalsContact SG-CA 3.56Å; C111-C123 WeakPolarHBondContact SG-CB 3.46Å; C111-C123 CovalentContact SG-SG 2.02Å; C111-C123 PolarHBondContact SG-SG 3.49Å; C123-D132 WeakPolarHBondContact CB-O 3.49Å; C123-D132 PolarHBondContact SG-O 3.21Å
124R97.4Very high94.9Very high155 Ų15562.6 Ų62.659%0.58538%0.375SS*.EExtended strand (participates in β ladder)trans-102.4114.1161.8179.4178.464.51680.7107.5G115 S116 I118G115-R124 WeakPolarHBondContact CA-O 3.33Å; S116-R124 PolarHBondContact N-O 2.92Å; S116-R124 PolarHBondContact O-N 3.39Å; I118-R124 HydrophobicContact CD1-CB 4.14Å; I118-R124 HydrophobicContact CG1-CB 4.24Å; I118-R124 HydrophobicContact CG2-CB 3.63Å
125C97.4Very high94.9Very high39 Ų3963.2 Ų63.226%0.26436%0.36SS..PPolyproline II helixtrans-83.8144.2-178.3-53.20000111.4W129 C134C125-W129 HydrophobicContact CB-CB 4.28Å; C125-W129 VanDerWaalsContact CB-O 3.3Å; C125-W129 WeakPolarHBondContact CB-O 3.43Å; C125-C134 WeakPolarHBondContact CA-SG 3.17Å; C125-C134 HydrophobicContact CB-CB 3.71Å; C125-C134 WeakPolarHBondContact CB-SG 3.39Å; C125-C134 WeakPolarHBondContact SG-CA 3.3Å; C125-C134 WeakPolarHBondContact SG-CB 3.31Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 3.49Å
126P96.4Very high94.9Very high50 Ų5064.8 Ų64.833%0.32537%0.368SS..PPolyproline II helixtrans-68.1166.8167.827.2-27.7000110.5N113 W129N113-P126 WeakPolarHBondContact O-CG 3.06Å; P126-W129 HydrophobicContact CG-CG 4.44Å; P126-W129 PolarHBondContact O-N 3.46Å
127A93.4Very high95Very high95 Ų9564.6 Ų64.679%0.78536%0.363SS*.THydrogen-bonded Turntrans-56.2144.2173.300000110.6W129A127-W129 VanDerWaalsContact C-N 3.31Å
128G93.8Very high95Very high9 Ų964.1 Ų64.19%0.09336%0.359CS..THydrogen-bonded Turntrans81.8-1.5-175.200000115.4V138 E140G128-V138 PolarHBondContact O-N 3.33Å; G128-E140 WeakPolarHBondContact CA-OE1 3.22Å
129W97.1Very high95Very high52 Ų5263.6 Ų63.620%0.19736%0.357CS..EExtended strand (participates in β ladder)trans-129.3145.4179.2-63.693.3000112.8N113 C125 P126 A127 C134 S136 D137 A156 G157N113-W129 HydrophobicContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CD2 3.46Å; N113-W129 VanDerWaalsContact CB-CE2 3.45Å; N113-W129 HydrophobicContact CB-CE3 3.89Å; N113-W129 HydrophobicContact CB-CG 3.85Å; N113-W129 HydrophobicContact CB-CH2 4.23Å; N113-W129 HydrophobicContact CB-CZ2 3.84Å; N113-W129 HydrophobicContact CB-CZ3 4.27Å; N113-W129 VanDerWaalsContact CG-CH2 3.5Å; N113-W129 WeakPolarHBondContact ND2-CH2 3.4Å; N113-W129 WeakPolarHBondContact ND2-CZ3 3.15Å; C125-W129 HydrophobicContact CB-CB 4.28Å; C125-W129 VanDerWaalsContact CB-O 3.3Å; C125-W129 WeakPolarHBondContact CB-O 3.43Å; P126-W129 HydrophobicContact CG-CG 4.44Å; P126-W129 PolarHBondContact O-N 3.46Å; A127-W129 VanDerWaalsContact C-N 3.31Å; W129-C134 HydrophobicContact CB-CB 4.39Å; W129-S136 CarbonylContact C-O 3.48Å; W129-S136 WeakPolarHBondContact CA-O 3.42Å; W129-D137 HydrophobicContact CE3-CB 4.38Å; W129-D137 HydrophobicContact CZ3-CB 4.04Å; W129-A156 HydrophobicContact CH2-CB 3.98Å; W129-A156 HydrophobicContact CZ2-CB 4.2Å; W129-G157 VanDerWaalsContact NE1-CA 3.29Å
130Q94.9Very high95.1Very high106 Ų10660.7 Ų60.750%0.49534%0.343SS..EExtended strand (participates in β ladder)trans-142.3175.5-179.468.217428.500113.3C134 Q135 S136 V138Q130-C134 CarbonylContact O-C 3.47Å; Q130-C134 WeakPolarHBondContact O-CA 3.45Å; Q130-Q135 PolarHBondContact O-N 3.42Å; Q130-S136 PolarHBondContact N-O 3.03Å; Q130-S136 PolarHBondContact O-N 3.24Å; Q130-V138 HydrophobicContact CB-CG2 3.71Å; Q130-V138 HydrophobicContact CG-CG2 3.74Å
131G94.6Very high95Very high37 Ų3759.9 Ų59.938%0.38134%0.338SS..SBendtrans94166.6-176.400000113.3T133 C134G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 VanDerWaalsContact O-N 3.15Å; G131-C134 PolarHBondContact O-N 3.44Å; G131-C134 VanDerWaalsContact O-N 3.08Å
132D94Very high94.9Very high136 Ų13662 Ų6273%0.72735%0.345SS*.THydrogen-bonded Turntrans-59.7-29.9-172.7-61-35.4000114C123C123-D132 WeakPolarHBondContact CB-O 3.49Å; C123-D132 PolarHBondContact SG-O 3.21Å
133T96.2Very high94.2Very high21 Ų2158.6 Ų58.613%0.12935%0.349CS..THydrogen-bonded Turntrans-116.917.3177.864.30000112.9P109 R112 G131 Q135P109-T133 HydrophobicContact CB-CG2 4.14Å; P109-T133 HydrophobicContact CG-CG2 4.01Å; R112-T133 PolarHBondContact N-O 2.96Å; G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 VanDerWaalsContact O-N 3.15Å; T133-Q135 VanDerWaalsContact C-OE1 3.3Å; T133-Q135 VanDerWaalsContact CA-OE1 3.31Å; T133-Q135 PolarHBondContact O-N 3.09Å; T133-Q135 PolarHBondContact OG1-OE1 3.29Å
134C97.4Very high92.8Very high0 Ų061 Ų610%038%0.376CS..SBendtrans58.931.7-177-44.50000113.5R112 N113 C125 W129 Q130 G131R112-C134 WeakPolarHBondContact O-CB 3.46Å; N113-C134 PolarHBondContact ND2-O 3.35Å; C125-C134 WeakPolarHBondContact CA-SG 3.17Å; C125-C134 HydrophobicContact CB-CB 3.71Å; C125-C134 WeakPolarHBondContact CB-SG 3.39Å; C125-C134 WeakPolarHBondContact SG-CA 3.3Å; C125-C134 WeakPolarHBondContact SG-CB 3.31Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 3.49Å; W129-C134 HydrophobicContact CB-CB 4.39Å; Q130-C134 CarbonylContact O-C 3.47Å; Q130-C134 WeakPolarHBondContact O-CA 3.45Å; G131-C134 PolarHBondContact O-N 3.44Å; G131-C134 VanDerWaalsContact O-N 3.08Å
135Q96.1Very high91.5Very high82 Ų8256.4 Ų56.438%0.38338%0.377SS..  trans-82.5-21.5-174.470.3-81.25.800113.8Q130 T133Q130-Q135 PolarHBondContact O-N 3.42Å; T133-Q135 VanDerWaalsContact C-OE1 3.3Å; T133-Q135 VanDerWaalsContact CA-OE1 3.31Å; T133-Q135 PolarHBondContact O-N 3.09Å; T133-Q135 PolarHBondContact OG1-OE1 3.29Å
136S96Very high90.5Very high49 Ų4954.9 Ų54.934%0.34337%0.367SS..EExtended strand (participates in β ladder)trans-105.5131.9-172.2-62.10000109.9W129 Q130W129-S136 CarbonylContact C-O 3.48Å; W129-S136 WeakPolarHBondContact CA-O 3.42Å; Q130-S136 PolarHBondContact N-O 3.03Å; Q130-S136 PolarHBondContact O-N 3.24Å
137D96.3Very high89.9Confident47 Ų4756.1 Ų56.125%0.25139%0.389SS..EExtended strand (participates in β ladder)trans-66.1145170.6-17653.9000110.7W129 N154 G157W129-D137 HydrophobicContact CE3-CB 4.38Å; W129-D137 HydrophobicContact CZ3-CB 4.04Å; D137-N154 PolarHBondContact OD2-ND2 3.43Å; D137-G157 PolarHBondContact OD1-N 2.94Å
138V94.8Very high89.6Confident35 Ų3553 Ų5321%0.21236%0.361CS..  trans-92.9118.1169.9177.20000107.1G128 Q130 E140G128-V138 PolarHBondContact O-N 3.33Å; Q130-V138 HydrophobicContact CB-CG2 3.71Å; Q130-V138 HydrophobicContact CG-CG2 3.74Å; V138-E140 HydrophobicContact CG1-CG 4.29Å; V138-E140 PolarHBondContact O-N 3.38Å
139D93.7Very high89.3Confident59 Ų5954.8 Ų54.832%0.31637%0.371SS..  trans-83.693.3174.7-176.4-11.4000110.1C141 S142 A143D139-C141 PolarHBondContact O-N 3.11Å; D139-C141 WeakPolarHBondContact OD1-CA 3.37Å; D139-C141 VanDerWaalsContact OD1-CB 3.28Å; D139-C141 WeakPolarHBondContact OD1-CB 3.43Å; D139-C141 PolarHBondContact OD1-N 3.26Å; D139-S142 VanDerWaalsContact CG-OG 3.26Å; D139-S142 PolarHBondContact O-N 3.06Å; D139-S142 PolarHBondContact OD1-N 3.22Å; D139-S142 WeakPolarHBondContact OD2-CB 3.44Å; D139-S142 PolarHBondContact OD2-OG 3.12Å; D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 2.83Å
140E92.4Very high88.9Confident27 Ų2755.6 Ų55.613%0.12638%0.377CS..THydrogen-bonded Turntrans-67.5-21.6-179.6-6088.6174.100113.2G128 V138 G144 G145 A146 N154 Y159G128-E140 WeakPolarHBondContact CA-OE1 3.22Å; V138-E140 HydrophobicContact CG1-CG 4.29Å; V138-E140 PolarHBondContact O-N 3.38Å; E140-G144 PolarHBondContact O-N 3.41Å; E140-G145 PolarHBondContact O-N 3Å; E140-A146 HydrophobicContact CB-CB 4.23Å; E140-A146 PolarHBondContact O-N 3.46Å; E140-N154 PolarHBondContact OE2-OD1 3.05Å; E140-Y159 HydrophobicContact CB-CD1 3.53Å; E140-Y159 HydrophobicContact CB-CE1 3.92Å; E140-Y159 HydrophobicContact CB-CG 4.09Å; E140-Y159 HydrophobicContact CG-CD1 3.66Å; E140-Y159 HydrophobicContact CG-CE1 3.96Å; E140-Y159 WeakPolarHBondContact OE2-CD1 3.38Å
141C91.1Very high88.7Confident39 Ų3956.6 Ų56.626%0.26438%0.376SS..THydrogen-bonded Turntrans-71.6-42.4175.7-57.70000111D139 C152 V153 N154D139-C141 PolarHBondContact O-N 3.11Å; D139-C141 WeakPolarHBondContact OD1-CA 3.37Å; D139-C141 VanDerWaalsContact OD1-CB 3.28Å; D139-C141 WeakPolarHBondContact OD1-CB 3.43Å; D139-C141 PolarHBondContact OD1-N 3.26Å; C141-C152 WeakPolarHBondContact CA-SG 3.31Å; C141-C152 HydrophobicContact CB-CB 3.66Å; C141-C152 WeakPolarHBondContact CB-SG 3.46Å; C141-C152 WeakPolarHBondContact SG-CB 3.28Å; C141-C152 CovalentContact SG-SG 2.03Å; C141-C152 PolarHBondContact SG-SG 3.22Å; C141-V153 VanDerWaalsContact SG-C 3.54Å; C141-V153 PolarHBondContact SG-N 3.08Å; C141-N154 PolarHBondContact SG-N 3.36Å
142S89.4Confident88.6Confident98 Ų9856.5 Ų56.569%0.68537%0.37SS*.THydrogen-bonded Turntrans-75.5-31.3176.7-66.40000112.5D139 G144D139-S142 VanDerWaalsContact CG-OG 3.26Å; D139-S142 PolarHBondContact O-N 3.06Å; D139-S142 PolarHBondContact OD1-N 3.22Å; D139-S142 WeakPolarHBondContact OD2-CB 3.44Å; D139-S142 PolarHBondContact OD2-OG 3.12Å; S142-G144 PolarHBondContact O-N 3.22Å
143A77.8Confident88.5Confident77 Ų7751.8 Ų51.864%0.63635%0.346SS*.THydrogen-bonded Turntrans-74.8-5.4177.600000113.8D139 G145D139-A143 WeakPolarHBondContact O-CB 3.47Å; D139-A143 PolarHBondContact O-N 2.83Å; A143-G145 PolarHBondContact O-N 3.13Å
144G69.4Low88.4Confident68 Ų6853.3 Ų53.370%0.70135%0.353SS*.THydrogen-bonded Turntrans69.810.3-178.700000114.4E140 S142E140-G144 PolarHBondContact O-N 3.41Å; S142-G144 PolarHBondContact O-N 3.22Å
145G68.3Low88.2Confident58 Ų5855.8 Ų55.860%0.59837%0.368SS*.  trans-92.2-11-175.800000114.7E140 A143 G147E140-G145 PolarHBondContact O-N 3Å; A143-G145 PolarHBondContact O-N 3.13Å; G145-G147 VanDerWaalsContact C-N 3.28Å; G145-G147 PolarHBondContact O-N 3.48Å
146A77.1Confident88.2Confident8 Ų855.8 Ų55.87%0.06638%0.382CS..SBendtrans-70.9-12.5-17100000115.8E140 C148 C152 Y159E140-A146 HydrophobicContact CB-CB 4.23Å; E140-A146 PolarHBondContact O-N 3.46Å; A146-C148 PolarHBondContact O-N 3.32Å; A146-C152 HydrophobicContact CB-CB 4.24Å; A146-C152 WeakPolarHBondContact CB-SG 2.99Å; A146-Y159 HydrophobicContact CB-CD2 3.61Å; A146-Y159 HydrophobicContact CB-CE2 3.56Å; A146-Y159 HydrophobicContact CB-CG 4.15Å; A146-Y159 WeakPolarHBondContact O-CE2 3.39Å; A146-Y159 PolarHBondContact O-OH 2.99Å
147G83.2Confident88.1Confident76 Ų7654.3 Ų54.378%0.78438%0.375SS*.  trans55.420.6173.800000115.7G145G145-G147 VanDerWaalsContact C-N 3.28Å; G145-G147 PolarHBondContact O-N 3.48Å
148C87.9Confident87.9Confident29 Ų2955 Ų5520%0.19638%0.383CS..  trans-75141.1-174.4-70.60000112A146 Q150 C152 C161A146-C148 PolarHBondContact O-N 3.32Å; C148-Q150 VanDerWaalsContact C-N 3.32Å; C148-Q150 PolarHBondContact O-N 3.36Å; C148-C152 HydrophobicContact CB-CB 4.16Å; C148-C161 WeakPolarHBondContact CA-SG 3.49Å; C148-C161 HydrophobicContact CB-CB 3.67Å; C148-C161 WeakPolarHBondContact CB-SG 3.34Å; C148-C161 WeakPolarHBondContact SG-CA 3.01Å; C148-C161 WeakPolarHBondContact SG-CB 3Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 2.79Å
149P87.3Confident87.8Confident47 Ų4757.4 Ų57.431%0.30539%0.389SS..SBendtrans-68.3-28.5-177.524.4-34000114.2L169P149-L169 HydrophobicContact CG-CD1 3.79Å
150Q89.6Confident87.7Confident69 Ų6960.4 Ų60.432%0.32240%0.396SS..SBendtrans-137.6-79.7-176.2-69.9-176.8-1500111.3C148 C163 C176C148-Q150 VanDerWaalsContact C-N 3.32Å; C148-Q150 PolarHBondContact O-N 3.36Å; Q150-C163 VanDerWaalsContact OE1-CA 3.25Å; Q150-C176 VanDerWaalsContact CD-SG 3.51Å; Q150-C176 HydrophobicContact CG-CB 4.39Å; Q150-C176 PolarHBondContact OE1-SG 2.8Å; Q150-C176 VanDerWaalsContact OE1-SG 3.39Å
151R90.2Very high87.6Confident127 Ų12760.4 Ų60.448%0.47940%0.399SS..EExtended strand (participates in β ladder)trans-113.3134.3-177.9-176.1178.3-174.2-171.611.5110.1V153 C161 Q162R151-V153 HydrophobicContact CG-CG2 4.45Å; R151-C161 CarbonylContact O-C 3.58Å; R151-C161 WeakPolarHBondContact O-CA 3.05Å; R151-Q162 HydrophobicContact CB-CB 4.19Å; R151-Q162 WeakPolarHBondContact CB-O 3.32Å; R151-Q162 HydrophobicContact CG-CB 4.47Å; R151-Q162 PolarHBondContact N-O 3.43Å; R151-Q162 PolarHBondContact O-N 3.31Å
152C92.7Very high87.6Confident35 Ų3561.7 Ų61.724%0.23640%0.401CS..EExtended strand (participates in β ladder)trans-99.1138.2169.7-174.60000109.5C141 A146 C148C141-C152 WeakPolarHBondContact CA-SG 3.31Å; C141-C152 HydrophobicContact CB-CB 3.66Å; C141-C152 WeakPolarHBondContact CB-SG 3.46Å; C141-C152 WeakPolarHBondContact SG-CB 3.28Å; C141-C152 CovalentContact SG-SG 2.03Å; C141-C152 PolarHBondContact SG-SG 3.22Å; A146-C152 HydrophobicContact CB-CB 4.24Å; A146-C152 WeakPolarHBondContact CB-SG 2.99Å; C148-C152 HydrophobicContact CB-CB 4.16Å
153V92.3Very high87.7Confident37 Ų3757.9 Ų57.922%0.22437%0.374CS..EExtended strand (participates in β ladder)trans-124.3113174.7-176.90000108.2C141 R151 Y159 W160 Q162C141-V153 VanDerWaalsContact SG-C 3.54Å; C141-V153 PolarHBondContact SG-N 3.08Å; R151-V153 HydrophobicContact CG-CG2 4.45Å; V153-Y159 WeakPolarHBondContact O-CA 3.01Å; V153-W160 HydrophobicContact CB-CD2 4.24Å; V153-W160 HydrophobicContact CB-CZ2 4.01Å; V153-W160 HydrophobicContact CG1-CZ2 4.01Å; V153-W160 HydrophobicContact CG2-CH2 4.34Å; V153-W160 HydrophobicContact CG2-CZ2 3.98Å; V153-W160 PolarHBondContact N-O 2.77Å; V153-W160 PolarHBondContact O-N 3.42Å; V153-Q162 HydrophobicContact CG2-CB 4.06Å
154N93.8Very high88.4Confident52 Ų5261.4 Ų61.428%0.27837%0.371SS..EExtended strand (participates in β ladder)trans-74142.7178.9-169.847.3000110.7D137 E140 C141 S158D137-N154 PolarHBondContact OD2-ND2 3.43Å; E140-N154 PolarHBondContact OE2-OD1 3.05Å; C141-N154 PolarHBondContact SG-N 3.36Å; N154-S158 PolarHBondContact OD1-O 2.76Å
155T93.8Very high89.4Confident53 Ų5367.2 Ų67.233%0.32538%0.38SS..EExtended strand (participates in β ladder)trans-137.8158.4176.6550000109.5G157 S158T155-G157 PolarHBondContact O-N 3.15Å; T155-S158 CarbonylContact C-O 3.56Å; T155-S158 VanDerWaalsContact C-O 3.26Å; T155-S158 VanDerWaalsContact CA-O 3.31Å; T155-S158 WeakPolarHBondContact CA-O 3.2Å; T155-S158 PolarHBondContact N-O 2.94Å; T155-S158 CarbonylContact O-C 3.56Å; T155-S158 PolarHBondContact O-N 3.01Å; T155-S158 VanDerWaalsContact O-N 3.1Å; T155-S158 PolarHBondContact OG1-O 2.04Å
156A94.8Very high90.3Very high81 Ų8166.6 Ų66.667%0.66937%0.373SS*.THydrogen-bonded Turntrans-64.5113.6-178.600000111.6W129W129-A156 HydrophobicContact CH2-CB 3.98Å; W129-A156 HydrophobicContact CZ2-CB 4.2Å
157G93.3Very high90.9Very high19 Ų1969.3 Ų69.320%0.19638%0.384CS..THydrogen-bonded Turntrans82.76.1-178.800000115.1W129 D137 T155W129-G157 VanDerWaalsContact NE1-CA 3.29Å; D137-G157 PolarHBondContact OD1-N 2.94Å; T155-G157 PolarHBondContact O-N 3.15Å
158S93.1Very high91.2Very high62 Ų6272 Ų7243%0.43437%0.371SS..EExtended strand (participates in β ladder)trans-168.3-179.1-177.4-157.50000112.6N154 T155N154-S158 PolarHBondContact OD1-O 2.76Å; T155-S158 CarbonylContact C-O 3.56Å; T155-S158 VanDerWaalsContact C-O 3.26Å; T155-S158 VanDerWaalsContact CA-O 3.31Å; T155-S158 WeakPolarHBondContact CA-O 3.2Å; T155-S158 PolarHBondContact N-O 2.94Å; T155-S158 CarbonylContact O-C 3.56Å; T155-S158 PolarHBondContact O-N 3.01Å; T155-S158 VanDerWaalsContact O-N 3.1Å; T155-S158 PolarHBondContact OG1-O 2.04Å
159Y92.9Very high91.3Very high84 Ų8473.8 Ų73.833%0.32938%0.378SS..EExtended strand (participates in β ladder)trans-143.8163.4171.366.8-83.5000109.8E140 A146 V153E140-Y159 HydrophobicContact CB-CD1 3.53Å; E140-Y159 HydrophobicContact CB-CE1 3.92Å; E140-Y159 HydrophobicContact CB-CG 4.09Å; E140-Y159 HydrophobicContact CG-CD1 3.66Å; E140-Y159 HydrophobicContact CG-CE1 3.96Å; E140-Y159 WeakPolarHBondContact OE2-CD1 3.38Å; A146-Y159 HydrophobicContact CB-CD2 3.61Å; A146-Y159 HydrophobicContact CB-CE2 3.56Å; A146-Y159 HydrophobicContact CB-CG 4.15Å; A146-Y159 WeakPolarHBondContact O-CE2 3.39Å; A146-Y159 PolarHBondContact O-OH 2.99Å; V153-Y159 WeakPolarHBondContact O-CA 3.01Å
160W90.7Very high91.3Very high123 Ų12372.5 Ų72.547%0.46637%0.371SS..EExtended strand (participates in β ladder)trans-139.8152170.365.5-80.9000111.4V153 Q162V153-W160 HydrophobicContact CB-CD2 4.24Å; V153-W160 HydrophobicContact CB-CZ2 4.01Å; V153-W160 HydrophobicContact CG1-CZ2 4.01Å; V153-W160 HydrophobicContact CG2-CH2 4.34Å; V153-W160 HydrophobicContact CG2-CZ2 3.98Å; V153-W160 PolarHBondContact N-O 2.77Å; V153-W160 PolarHBondContact O-N 3.42Å; W160-Q162 HydrophobicContact CE3-CB 4.21Å; W160-Q162 HydrophobicContact CH2-CB 3.89Å; W160-Q162 HydrophobicContact CH2-CG 3.94Å; W160-Q162 HydrophobicContact CZ3-CB 3.53Å; W160-Q162 HydrophobicContact CZ3-CG 3.82Å
161C91.4Very high91Very high27 Ų2774 Ų7418%0.18239%0.394CS..EExtended strand (participates in β ladder)trans-93.6129.8-178-55.10000110.9C148 R151 L169C148-C161 WeakPolarHBondContact CA-SG 3.49Å; C148-C161 HydrophobicContact CB-CB 3.67Å; C148-C161 WeakPolarHBondContact CB-SG 3.34Å; C148-C161 WeakPolarHBondContact SG-CA 3.01Å; C148-C161 WeakPolarHBondContact SG-CB 3Å; C148-C161 CovalentContact SG-SG 2.04Å; C148-C161 PolarHBondContact SG-SG 2.79Å; R151-C161 CarbonylContact O-C 3.58Å; R151-C161 WeakPolarHBondContact O-CA 3.05Å; C161-L169 HydrophobicContact CB-CD1 4.36Å
162Q90.8Very high90.7Very high65 Ų6573.7 Ų73.730%0.30440%0.402SS..EExtended strand (participates in β ladder)trans-109.2138.1175.9-170174.550.400110.1R151 V153 W160R151-Q162 HydrophobicContact CB-CB 4.19Å; R151-Q162 WeakPolarHBondContact CB-O 3.32Å; R151-Q162 HydrophobicContact CG-CB 4.47Å; R151-Q162 PolarHBondContact N-O 3.43Å; R151-Q162 PolarHBondContact O-N 3.31Å; V153-Q162 HydrophobicContact CG2-CB 4.06Å; W160-Q162 HydrophobicContact CE3-CB 4.21Å; W160-Q162 HydrophobicContact CH2-CB 3.89Å; W160-Q162 HydrophobicContact CH2-CG 3.94Å; W160-Q162 HydrophobicContact CZ3-CB 3.53Å; W160-Q162 HydrophobicContact CZ3-CG 3.82Å
163C91.8Very high90.1Very high19 Ų1973.5 Ų73.513%0.12841%0.406CS..PPolyproline II helixtrans-93.2154.3169-58.90000110.6Q150 H167 L169 C176Q150-C163 VanDerWaalsContact OE1-CA 3.25Å; C163-H167 HydrophobicContact CB-CB 3.77Å; C163-L169 PolarHBondContact SG-N 3.04Å; C163-L169 VanDerWaalsContact SG-N 3.45Å; C163-C176 HydrophobicContact CB-CB 3.75Å; C163-C176 WeakPolarHBondContact CB-SG 3.24Å; C163-C176 WeakPolarHBondContact SG-CB 3.29Å; C163-C176 CovalentContact SG-SG 2.03Å; C163-C176 PolarHBondContact SG-SG 3.09Å
164W91.6Very high89.7Confident150 Ų15076.3 Ų76.357%0.56842%0.423SS*.PPolyproline II helixtrans-58.1163.8171.9-57.7123.4000111.9H167W164-H167 PolarHBondContact O-N 3.27Å
165E90.4Very high89.4Confident191 Ų19177.9 Ų77.989%0.89343%0.429SS*.THydrogen-bonded Turntrans-53.8144.2176.7-70.6-170.2164.500111.9H167E165-H167 PolarHBondContact O-N 3.13Å; E165-H167 PolarHBondContact O-ND1 2.77Å
166G88.3Confident89.3Confident44 Ų4476.4 Ų76.445%0.45442%0.421SS..THydrogen-bonded Turntrans74.40.9-173.600000115.4P178 K179G166-P178 CarbonylContact O-C 3.55Å; G166-P178 WeakPolarHBondContact O-CA 3.32Å; G166-K179 PolarHBondContact O-N 2.77Å
167H89.6Confident89Confident65 Ų6574.1 Ų74.130%0.30140%0.398SS..EExtended strand (participates in β ladder)trans-122.3152.8176.4-64.671.4000112C163 W164 E165 C176 V177 K179C163-H167 HydrophobicContact CB-CB 3.77Å; W164-H167 PolarHBondContact O-N 3.27Å; E165-H167 PolarHBondContact O-N 3.13Å; E165-H167 PolarHBondContact O-ND1 2.77Å; H167-C176 HydrophobicContact CB-CB 4.19Å; H167-V177 CarbonylContact C-O 3.57Å; H167-V177 VanDerWaalsContact CA-O 3.25Å; H167-V177 WeakPolarHBondContact CA-O 3.5Å; H167-K179 WeakPolarHBondContact O-CE 3.35Å
168R89.3Confident88.8Confident134 Ų13477.4 Ų77.451%0.50642%0.416SS..EExtended strand (participates in β ladder)trans-128.1153.617461.7179.2-179.289.6-4109.4S170 C176 V177 K179R168-S170 PolarHBondContact O-N 2.82Å; R168-C176 CarbonylContact O-C 3.26Å; R168-C176 WeakPolarHBondContact O-CA 3.12Å; R168-V177 HydrophobicContact CG-CG2 3.71Å; R168-V177 PolarHBondContact N-O 2.96Å; R168-V177 PolarHBondContact O-N 3.3Å; R168-K179 HydrophobicContact CB-CG 3.75Å; R168-K179 HydrophobicContact CG-CG 4.02Å
169L89.4Confident88.4Confident66 Ų6680.3 Ų80.335%0.34642%0.421SS..EExtended strand (participates in β ladder)trans-64.1136.6174.8-156.570000109.2P149 C161 C163P149-L169 HydrophobicContact CG-CD1 3.79Å; C161-L169 HydrophobicContact CB-CD1 4.36Å; C163-L169 PolarHBondContact SG-N 3.04Å; C163-L169 VanDerWaalsContact SG-N 3.45Å
170S87.4Confident87.5Confident20 Ų2079.6 Ų79.614%0.1444%0.439CS..  trans-62.5159.6172.4-167.60000110.4R168 D172 G173 H175R168-S170 PolarHBondContact O-N 2.82Å; S170-D172 PolarHBondContact O-N 3.1Å; S170-G173 PolarHBondContact O-N 3.02Å; S170-H175 WeakPolarHBondContact CB-NE2 3.34Å; S170-H175 WeakPolarHBondContact CB-O 3.25Å; S170-H175 PolarHBondContact N-O 3.34Å; S170-H175 PolarHBondContact OG-CE1 2.71Å; S170-H175 VanDerWaalsContact OG-CE1 3.32Å; S170-H175 PolarHBondContact OG-NE2 3.28Å
171A83.9Confident86.3Confident99 Ų9976.6 Ų76.682%0.81845%0.447SS*.THydrogen-bonded Turntrans-57.7-31.117800000111.9G173A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.15Å
172D82.6Confident84.6Confident121 Ų12180.8 Ų80.865%0.64747%0.473SS*.THydrogen-bonded Turntrans-79.7-6.2178.3-53.2-44.2000113.5S170 T174S170-D172 PolarHBondContact O-N 3.1Å; D172-T174 PolarHBondContact O-N 2.91Å; D172-T174 VanDerWaalsContact O-N 3.12Å
173G82.1Confident82.9Confident31 Ų3182.7 Ų82.732%0.3249%0.491SS..SBendtrans74.1-5.5179.100000116S170 A171S170-G173 PolarHBondContact O-N 3.02Å; A171-G173 VanDerWaalsContact C-N 3.28Å; A171-G173 PolarHBondContact O-N 3.15Å
174T83.3Confident81.2Confident96 Ų9694.1 Ų94.159%0.58953%0.532SS*.SBendtrans-92-23.4-168.5540000115.4D172D172-T174 PolarHBondContact O-N 2.91Å; D172-T174 VanDerWaalsContact O-N 3.12Å
175H87.9Confident79.5Confident85 Ų8592.3 Ų92.339%0.39454%0.537SS..SBendtrans-146.4158.4-176.259-80.7000111.1S170S170-H175 WeakPolarHBondContact CB-NE2 3.34Å; S170-H175 WeakPolarHBondContact CB-O 3.25Å; S170-H175 PolarHBondContact N-O 3.34Å; S170-H175 PolarHBondContact OG-CE1 2.71Å; S170-H175 VanDerWaalsContact OG-CE1 3.32Å; S170-H175 PolarHBondContact OG-NE2 3.28Å
176C91.1Very high77.7Confident22 Ų2287.7 Ų87.715%0.14953%0.531CS..EExtended strand (participates in β ladder)trans-96.4126.4179.1-68.80000110.3Q150 C163 H167 R168Q150-C176 VanDerWaalsContact CD-SG 3.51Å; Q150-C176 HydrophobicContact CG-CB 4.39Å; Q150-C176 PolarHBondContact OE1-SG 2.8Å; Q150-C176 VanDerWaalsContact OE1-SG 3.39Å; C163-C176 HydrophobicContact CB-CB 3.75Å; C163-C176 WeakPolarHBondContact CB-SG 3.24Å; C163-C176 WeakPolarHBondContact SG-CB 3.29Å; C163-C176 CovalentContact SG-SG 2.03Å; C163-C176 PolarHBondContact SG-SG 3.09Å; H167-C176 HydrophobicContact CB-CB 4.19Å; R168-C176 CarbonylContact O-C 3.26Å; R168-C176 WeakPolarHBondContact O-CA 3.12Å
177V89Confident76Confident34 Ų3490.8 Ų90.821%0.20654%0.544CS..EExtended strand (participates in β ladder)trans-107148.2175.5-62.80000110.3H167 R168 K179H167-V177 CarbonylContact C-O 3.57Å; H167-V177 VanDerWaalsContact CA-O 3.25Å; H167-V177 WeakPolarHBondContact CA-O 3.5Å; R168-V177 HydrophobicContact CG-CG2 3.71Å; R168-V177 PolarHBondContact N-O 2.96Å; R168-V177 PolarHBondContact O-N 3.3Å; V177-K179 PolarHBondContact O-N 3.5Å
178P88.6Confident74.1Confident87 Ų8795 Ų9557%0.56557%0.568SS**EExtended strand (participates in β ladder)trans-54.5131.7173.7-23.833000110.3G166 G180G166-P178 CarbonylContact O-C 3.55Å; G166-P178 WeakPolarHBondContact O-CA 3.32Å; P178-G180 VanDerWaalsContact C-N 3.33Å; P178-G180 PolarHBondContact O-N 3.39Å
179K84Confident72.6Confident124 Ų12496 Ų9654%0.53958%0.583SS.*  trans-61.9105160.8-73.1173.4176.9170.70104.2G166 H167 R168 V177 G181G166-K179 PolarHBondContact O-N 2.77Å; H167-K179 WeakPolarHBondContact O-CE 3.35Å; R168-K179 HydrophobicContact CB-CG 3.75Å; R168-K179 HydrophobicContact CG-CG 4.02Å; V177-K179 PolarHBondContact O-N 3.5Å; K179-G181 PolarHBondContact O-N 3.44Å
180G74.9Confident71.1Confident68 Ų6898.7 Ų98.770%0.70160%0.602SS**  trans-45121.3175.900000107.7P178P178-G180 VanDerWaalsContact C-N 3.33Å; P178-G180 PolarHBondContact O-N 3.39Å
181G64.9Low69.8Low61 Ų61100.5 Ų100.563%0.62962%0.624SS**PPolyproline II helixtrans-52.5155.6175.300000109K179K179-G181 PolarHBondContact O-N 3.44Å
182P56.1Low68.4Low115 Ų115101.7 Ų101.775%0.74762%0.621SS**PPolyproline II helixtrans-52.7135.6179.224.1-31.9000108.3R184P182-R184 PolarHBondContact O-N 3.08Å
183P54.3Low67.3Low105 Ų105102.2 Ų102.268%0.68262%0.623SS**PPolyproline II helixtrans-52.1134.4158.522.6-28.5000106.2V185P183-V185 PolarHBondContact O-N 3.11Å
184R56.7Low66.4Low258 Ų258103.8 Ų103.897%0.97463%0.63SS**SBendtrans-69.352.1171.8-72.2-174.9175.3-168.7-0.4110.9P182P182-R184 PolarHBondContact O-N 3.08Å
185V55.3Low65.5Low113 Ų113102 Ų10269%0.68562%0.624SS**SBendtrans-135.7116.7170-1740000105.5P183P183-V185 PolarHBondContact O-N 3.11Å
186A53.1Low64.7Low93 Ų93103.9 Ų103.977%0.76964%0.635SS**  trans-50.2126.2173.300000109.7N188A186-N188 PolarHBondContact O-N 3.42Å
187P51.7Low63.8Low110 Ų110109.6 Ų109.671%0.71466%0.657SS**  trans-76.7118.8164.719.6-8.6000107.3L189P187-L189 PolarHBondContact O-N 3.48Å
188N49.9Very low63.5Low152 Ų152114.1 Ų114.181%0.81368%0.676SS**  trans-61.3103.7163.2-153.814.7000107.1A186 T190A186-N188 PolarHBondContact O-N 3.42Å; N188-T190 VanDerWaalsContact C-N 3.34Å; N188-T190 PolarHBondContact O-N 3.38Å
189L59.2Low63.1Low156 Ų156116.2 Ų116.282%0.81768%0.678SS**  trans-75.983.6178.2-88.3162000109.7P187P187-L189 PolarHBondContact O-N 3.48Å
190T57.9Low63.1Low123 Ų123113.9 Ų113.976%0.75567%0.674SS**  trans-148.893.615952.90000108.4N188N188-T190 VanDerWaalsContact C-N 3.34Å; N188-T190 PolarHBondContact O-N 3.38Å
191G59.6Low63.5Low57 Ų57116.2 Ų116.259%0.58867%0.667SS**SBendtrans161.2-13.9166.200000119.3
192V54.5Low64.7Low124 Ų124120.9 Ų120.975%0.75267%0.665SS**SBendtrans-103.4-19.6-175.5-174.60000113.3
193D58.2Low65.9Low132 Ų132120.6 Ų120.671%0.70666%0.657SS**Hα-helixtrans-76.5-25177.9-91.4-1.7000114.1K197D193-K197 WeakPolarHBondContact O-CB 3.2Å; D193-K197 PolarHBondContact O-N 3.1Å
194S63.2Low67.4Low65 Ų65120.9 Ų120.946%0.45565%0.649SS.*Hα-helixtrans-72.5-43.6-175.553.50000112.3K197 E198S194-K197 PolarHBondContact O-N 2.85Å; S194-E198 WeakPolarHBondContact O-CB 3.37Å; S194-E198 VanDerWaalsContact O-CG 3.25Å; S194-E198 WeakPolarHBondContact O-CG 3.06Å; S194-E198 PolarHBondContact O-N 3.47Å
195A66Low69.1Low57 Ų57111.9 Ų111.947%0.47163%0.626SS.*Hα-helixtrans-66.4-43.2-177.900000112.3K197 E198 E199A195-K197 VanDerWaalsContact C-N 3.34Å; A195-E198 PolarHBondContact O-N 3.03Å; A195-E199 PolarHBondContact O-N 3.43Å
196M69.8Low70.7Confident125 Ų125113.3 Ų113.362%0.61662%0.619SS**Hα-helixtrans-70.2-33.8177.9-16913469.900111.7E199 V200M196-E199 PolarHBondContact O-N 2.94Å; M196-V200 WeakPolarHBondContact O-CB 3.46Å; M196-V200 VanDerWaalsContact O-CG2 3.24Å; M196-V200 WeakPolarHBondContact O-CG2 3.34Å; M196-V200 PolarHBondContact O-N 3.48Å
197K73.4Confident72.5Confident142 Ų142112.4 Ų112.462%0.61760%0.604SS**Hα-helixtrans-69.1-36.6175.4-166.5170.8-174.7177.30112.1D193 S194 A195 Q201D193-K197 WeakPolarHBondContact O-CB 3.2Å; D193-K197 PolarHBondContact O-N 3.1Å; S194-K197 PolarHBondContact O-N 2.85Å; A195-K197 VanDerWaalsContact C-N 3.34Å; K197-Q201 WeakPolarHBondContact O-CB 3.3Å; K197-Q201 WeakPolarHBondContact O-CG 3.44Å; K197-Q201 PolarHBondContact O-N 3.1Å
198E81.3Confident74.3Confident130 Ų130111.9 Ų111.961%0.60760%0.595SS**Hα-helixtrans-65.5-41.4173.7-76.6171.5-16100112S194 A195 R202S194-E198 WeakPolarHBondContact O-CB 3.37Å; S194-E198 VanDerWaalsContact O-CG 3.25Å; S194-E198 WeakPolarHBondContact O-CG 3.06Å; S194-E198 PolarHBondContact O-N 3.47Å; A195-E198 PolarHBondContact O-N 3.03Å; E198-R202 VanDerWaalsContact O-CB 3.29Å; E198-R202 WeakPolarHBondContact O-CB 3.43Å; E198-R202 PolarHBondContact O-N 3.15Å
199E80.6Confident76.3Confident131 Ų131108.8 Ų108.861%0.61258%0.578SS**Hα-helixtrans-67.7-40.2176-75.9-177.115800112.7A195 M196 R202 L203A195-E199 PolarHBondContact O-N 3.43Å; M196-E199 PolarHBondContact O-N 2.94Å; E199-R202 PolarHBondContact O-N 3.42Å; E199-L203 WeakPolarHBondContact O-CG 3.48Å; E199-L203 PolarHBondContact O-N 2.89Å
200V84.6Confident77.3Confident74 Ų74107 Ų10745%0.44857%0.568SS.*Hα-helixtrans-64.2-44.3175.9170.50000111M196 R202 L203 Q204M196-V200 WeakPolarHBondContact O-CB 3.46Å; M196-V200 VanDerWaalsContact O-CG2 3.24Å; M196-V200 WeakPolarHBondContact O-CG2 3.34Å; M196-V200 PolarHBondContact O-N 3.48Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.39Å; V200-L203 PolarHBondContact O-N 3.36Å; V200-Q204 WeakPolarHBondContact O-CG 3.38Å; V200-Q204 PolarHBondContact O-N 3.14Å
201Q84Confident78.5Confident117 Ų117107 Ų10755%0.54756%0.56SS.*Hα-helixtrans-63.8-38.7175.3-79-176.8-34.800112.1K197 L203 Q204 S205K197-Q201 WeakPolarHBondContact O-CB 3.3Å; K197-Q201 WeakPolarHBondContact O-CG 3.44Å; K197-Q201 PolarHBondContact O-N 3.1Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.18Å; Q201-Q204 PolarHBondContact O-N 3.09Å; Q201-S205 PolarHBondContact O-N 3.47Å; Q201-S205 VanDerWaalsContact O-N 3.1Å
202R88.8Confident79.7Confident159 Ų159110 Ų11060%0.656%0.559SS**Hα-helixtrans-63.6-39.9175.6-172.9-179.2-173.3-178.24.2111.9E198 E199 V200 S205 R206E198-R202 VanDerWaalsContact O-CB 3.29Å; E198-R202 WeakPolarHBondContact O-CB 3.43Å; E198-R202 PolarHBondContact O-N 3.15Å; E199-R202 PolarHBondContact O-N 3.42Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.39Å; R202-S205 PolarHBondContact O-OG 3.23Å; R202-R206 PolarHBondContact O-N 3.44Å
203L81.6Confident81Confident109 Ų109109.8 Ų109.857%0.57155%0.548SS*.Hα-helixtrans-70.4-41177.7-72.6170.6000111.9E199 V200 Q201 S205 R206 V207E199-L203 WeakPolarHBondContact O-CG 3.48Å; E199-L203 PolarHBondContact O-N 2.89Å; V200-L203 PolarHBondContact O-N 3.36Å; Q201-L203 VanDerWaalsContact C-N 3.34Å; Q201-L203 PolarHBondContact O-N 3.18Å; L203-S205 PolarHBondContact O-N 3.1Å; L203-R206 PolarHBondContact O-N 3.26Å; L203-V207 WeakPolarHBondContact O-CG2 3.28Å; L203-V207 PolarHBondContact O-N 2.81Å; L203-V207 VanDerWaalsContact O-N 3.1Å
204Q86.3Confident81.8Confident112 Ų112108.5 Ų108.552%0.52354%0.54SS..Hα-helixtrans-57.8-48.4175.4-78.9172.3-37.100111.8V200 Q201 R206 V207 D208V200-Q204 WeakPolarHBondContact O-CG 3.38Å; V200-Q204 PolarHBondContact O-N 3.14Å; Q201-Q204 PolarHBondContact O-N 3.09Å; Q204-R206 PolarHBondContact O-N 3.48Å; Q204-R206 VanDerWaalsContact O-N 3.15Å; Q204-V207 PolarHBondContact O-N 3.18Å; Q204-D208 PolarHBondContact O-N 3.1Å
205S91.6Very high82.3Confident69 Ų69112.7 Ų112.748%0.48355%0.553SS.*Hα-helixtrans-60.3-29.7178.368.10000114.1Q201 R202 L203 L209Q201-S205 PolarHBondContact O-N 3.47Å; Q201-S205 VanDerWaalsContact O-N 3.1Å; R202-S205 PolarHBondContact O-OG 3.23Å; L203-S205 PolarHBondContact O-N 3.1Å; S205-L209 PolarHBondContact O-N 2.02Å
206R90.3Very high82.5Confident142 Ų142115.6 Ų115.654%0.53656%0.56SS.*Hα-helixtrans-76.5-34176.2-78.6179.8167.1-171.2-4112.5R202 L203 Q204 L210R202-R206 PolarHBondContact O-N 3.44Å; L203-R206 PolarHBondContact O-N 3.26Å; Q204-R206 PolarHBondContact O-N 3.48Å; Q204-R206 VanDerWaalsContact O-N 3.15Å; R206-L210 WeakPolarHBondContact O-CD1 3.13Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.41Å; R206-L210 PolarHBondContact O-N 3.25Å; R206-L210 VanDerWaalsContact O-N 3.15Å
207V90.6Very high82.5Confident74 Ų74114.3 Ų114.345%0.44856%0.559SS.*Hα-helixtrans-68.2-46.6176.71730000109.8L203 Q204 L209 L210 E211L203-V207 WeakPolarHBondContact O-CG2 3.28Å; L203-V207 PolarHBondContact O-N 2.81Å; L203-V207 VanDerWaalsContact O-N 3.1Å; Q204-V207 PolarHBondContact O-N 3.18Å; V207-L209 VanDerWaalsContact C-N 3.3Å; V207-L209 PolarHBondContact O-N 3.47Å; V207-L210 WeakPolarHBondContact O-CB 3.07Å; V207-L210 PolarHBondContact O-N 3.01Å; V207-E211 PolarHBondContact O-N 2.69Å
208D90Very high81.9Confident99 Ų99111.2 Ų111.253%0.52955%0.548SS..Hα-helixtrans-58.9-42.4179.1-60.9-29000111.5Q204 L210 E211 E212Q204-D208 PolarHBondContact O-N 3.1Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 2.88Å; D208-E211 PolarHBondContact O-N 2.04Å; D208-E212 PolarHBondContact O-N 2.91Å; D208-E212 VanDerWaalsContact O-N 3.08Å
209L90.3Very high81Confident87 Ų87108 Ų10846%0.45555%0.545SS..Hα-helixtrans-64.6-35.8175.7-175.669.9000112.8S205 V207 K213S205-L209 PolarHBondContact O-N 2.02Å; V207-L209 VanDerWaalsContact C-N 3.3Å; V207-L209 PolarHBondContact O-N 3.47Å; L209-K213 WeakPolarHBondContact O-CB 3.42Å; L209-K213 WeakPolarHBondContact O-CG 3.45Å; L209-K213 PolarHBondContact O-N 2.79Å; L209-K213 VanDerWaalsContact O-N 3.13Å
210L80.6Confident80.1Confident118 Ų118105.4 Ų105.462%0.61854%0.539SS*.Hα-helixtrans-71.8-37.3178.4-79167.3000111.4R206 V207 D208 K213 L214R206-L210 WeakPolarHBondContact O-CD1 3.13Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.41Å; R206-L210 PolarHBondContact O-N 3.25Å; R206-L210 VanDerWaalsContact O-N 3.15Å; V207-L210 WeakPolarHBondContact O-CB 3.07Å; V207-L210 PolarHBondContact O-N 3.01Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 2.88Å; L210-K213 PolarHBondContact O-N 2.89Å; L210-L214 WeakPolarHBondContact O-CB 3.36Å; L210-L214 PolarHBondContact O-N 3.04Å
211E82.9Confident78.8Confident123 Ų123106.9 Ų106.958%0.57554%0.544SS*.Hα-helixtrans-65-43174.8-73.1-170.8161.100111.9V207 D208 K213 L214 Q215V207-E211 PolarHBondContact O-N 2.69Å; D208-E211 PolarHBondContact O-N 2.04Å; E211-K213 PolarHBondContact O-N 2.76Å; E211-L214 PolarHBondContact O-N 2.78Å; E211-Q215 PolarHBondContact O-N 3.47Å
212E85.9Confident77.4Confident122 Ų122108 Ų10857%0.5755%0.549SS*.Hα-helixtrans-61.6-44.5175.6-168.4-171.1160.400111.6D208 L214 Q215 L216D208-E212 PolarHBondContact O-N 2.91Å; D208-E212 VanDerWaalsContact O-N 3.08Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 2.04Å; E212-Q215 PolarHBondContact O-N 2.05Å; E212-L216 PolarHBondContact O-N 3.17Å; E212-L216 VanDerWaalsContact O-N 3.09Å
213K80.9Confident75.7Confident119 Ų119103.3 Ų103.352%0.51754%0.54SS..Hα-helixtrans-64-36.5176.4-76.4-177.9177.4-174.10112.5L209 L210 E211 L216 V217L209-K213 WeakPolarHBondContact O-CB 3.42Å; L209-K213 WeakPolarHBondContact O-CG 3.45Å; L209-K213 PolarHBondContact O-N 2.79Å; L209-K213 VanDerWaalsContact O-N 3.13Å; L210-K213 PolarHBondContact O-N 2.89Å; E211-K213 PolarHBondContact O-N 2.76Å; K213-L216 PolarHBondContact O-N 2.64Å; K213-V217 WeakPolarHBondContact O-CG2 3.03Å; K213-V217 PolarHBondContact O-N 3.49Å
214L75.9Confident74.4Confident105 Ų105103.4 Ų103.455%0.5554%0.54SS..Hα-helixtrans-66.6-40.9177.3-176.263.1000111.2L210 E211 E212 L216 V217 L218L210-L214 WeakPolarHBondContact O-CB 3.36Å; L210-L214 PolarHBondContact O-N 3.04Å; E211-L214 PolarHBondContact O-N 2.78Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 2.04Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L214-L216 PolarHBondContact O-N 3.27Å; L214-V217 PolarHBondContact O-N 3.08Å; L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CG 4.47Å; L214-L218 HydrophobicContact CG-CD1 3.85Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.39Å; L214-L218 VanDerWaalsContact O-N 3.11Å
215Q72.6Confident72.5Confident152 Ų152101.4 Ų101.471%0.7154%0.543SS*.Hα-helixtrans-64.7-38175.9-70.4-144.8-10.300112.7E211 E212 V217 L218 A219E211-Q215 PolarHBondContact O-N 3.47Å; E212-Q215 PolarHBondContact O-N 2.05Å; Q215-V217 VanDerWaalsContact C-N 3.29Å; Q215-V217 PolarHBondContact O-N 3.21Å; Q215-L218 PolarHBondContact O-N 2.91Å; Q215-A219 PolarHBondContact O-N 2.99Å
216L71.6Confident70.6Confident118 Ų118101.5 Ų101.562%0.61854%0.544SS*.Hα-helixtrans-64.2-31.3175.5-77166.3000113.2E212 K213 L214E212-L216 PolarHBondContact O-N 3.17Å; E212-L216 VanDerWaalsContact O-N 3.09Å; K213-L216 PolarHBondContact O-N 2.64Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L214-L216 PolarHBondContact O-N 3.27Å
217V69.6Low68.7Low99 Ų99100.5 Ų100.560%0.655%0.545SS*.Hα-helixtrans-80.8-29178.2174.20000112.4K213 L214 Q215 P220K213-V217 WeakPolarHBondContact O-CG2 3.03Å; K213-V217 PolarHBondContact O-N 3.49Å; L214-V217 PolarHBondContact O-N 3.08Å; Q215-V217 VanDerWaalsContact C-N 3.29Å; Q215-V217 PolarHBondContact O-N 3.21Å; V217-P220 WeakPolarHBondContact O-CD 3.21Å
218L61.1Low66.4Low76 Ų76101.1 Ų101.140%0.39856%0.558SS.*Hα-helixtrans-83.3-24.9-177.9-73.1166.2000113.6L214 Q215 L221 H222L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CG 4.47Å; L214-L218 HydrophobicContact CG-CD1 3.85Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.39Å; L214-L218 VanDerWaalsContact O-N 3.11Å; Q215-L218 PolarHBondContact O-N 2.91Å; L218-L221 PolarHBondContact O-N 3.19Å; L218-H222 PolarHBondContact O-N 2.84Å
219A61.4Low63.9Low64 Ų64104 Ų10453%0.52957%0.573SS.*Hα-helixtrans-58.9-42.2-178.300000114.7Q215 L221 S223Q215-A219 PolarHBondContact O-N 2.99Å; A219-L221 PolarHBondContact O-N 3.06Å; A219-S223 PolarHBondContact O-N 3.46Å
220P61.6Low61.7Low75 Ų75107.9 Ų107.949%0.48759%0.589SS.*Hα-helixtrans-68.5-30.8177.2-19.532.9000113.7V217 S223 L224V217-P220 WeakPolarHBondContact O-CD 3.21Å; P220-S223 PolarHBondContact O-N 2.92Å; P220-L224 WeakPolarHBondContact O-CG 3.13Å; P220-L224 PolarHBondContact O-N 2.9Å
221L56.5Low59.9Low105 Ų105109.6 Ų109.655%0.5559%0.593SS.*Hα-helixtrans-72-35.8-179-74.8165.9000112.1L218 A219 L224 A225L218-L221 PolarHBondContact O-N 3.19Å; A219-L221 PolarHBondContact O-N 3.06Å; L221-L224 PolarHBondContact O-N 2.92Å; L221-A225 PolarHBondContact O-N 3.26Å; L221-A225 VanDerWaalsContact O-N 3.12Å
222H54.8Low58.1Low142 Ų142107.2 Ų107.266%0.65760%0.602SS**Hα-helixtrans-66.9-38.2174.5-85.4-125.4000112L218 A225 S226L218-H222 PolarHBondContact O-N 2.84Å; H222-A225 PolarHBondContact O-N 3.3Å; H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 3.01Å
223S54.6Low56.1Low60 Ų60109.1 Ų109.142%0.4262%0.615SS.*Hα-helixtrans-66.6-36.5177.1-173.30000113A219 P220 S226 Q227A219-S223 PolarHBondContact O-N 3.46Å; P220-S223 PolarHBondContact O-N 2.92Å; S223-S226 WeakPolarHBondContact CA-OG 3.07Å; S223-S226 PolarHBondContact O-OG 3.41Å; S223-Q227 PolarHBondContact O-N 3.39Å
224L53.1Low54.4Low110 Ų110109.1 Ų109.158%0.57663%0.627SS**Hα-helixtrans-73.8-34.9178.4-74.2165.9000112.3P220 L221 S226 Q227 A228P220-L224 WeakPolarHBondContact O-CG 3.13Å; P220-L224 PolarHBondContact O-N 2.9Å; L221-L224 PolarHBondContact O-N 2.92Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 3.18Å; L224-Q227 PolarHBondContact O-N 3Å; L224-A228 PolarHBondContact O-N 3.45Å; L224-A228 VanDerWaalsContact O-N 3.14Å
225A47.8Very low53Low70 Ų70110.4 Ų110.458%0.57964%0.635SS**Hα-helixtrans-65.3-36176.100000112.3L221 H222L221-A225 PolarHBondContact O-N 3.26Å; L221-A225 VanDerWaalsContact O-N 3.12Å; H222-A225 PolarHBondContact O-N 3.3Å
226S50.2Low51.7Low72 Ų72107.9 Ų107.950%0.50363%0.631SS.*Hα-helixtrans-71.7-34.1174.836.80000113.6H222 S223 L224H222-S226 PolarHBondContact O-N 3.46Å; H222-S226 PolarHBondContact O-OG 3.01Å; S223-S226 WeakPolarHBondContact CA-OG 3.07Å; S223-S226 PolarHBondContact O-OG 3.41Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 3.18Å
227Q50.5Low50.7Low120 Ų120104.1 Ų104.156%0.56162%0.621SS**Hα-helixtrans-76.6-28.8179.5-77174.4-4.700113.4S223 L224 L229 E230S223-Q227 PolarHBondContact O-N 3.39Å; L224-Q227 PolarHBondContact O-N 3Å; Q227-L229 PolarHBondContact O-N 2.69Å; Q227-E230 PolarHBondContact O-N 3.26Å
228A42.4Very low49.7Very low87 Ų87103.3 Ų103.372%0.71962%0.619SS**THydrogen-bonded Turntrans-69.7-17.6176.600000113.6L224L224-A228 PolarHBondContact O-N 3.45Å; L224-A228 VanDerWaalsContact O-N 3.14Å
229L38.7Very low49.1Very low160 Ų160106.1 Ų106.184%0.83863%0.634SS**THydrogen-bonded Turntrans-90.7-15.8-179.6-148.581.8000113.5Q227Q227-L229 PolarHBondContact O-N 2.69Å
230E43.8Very low48.7Very low168 Ų168108.2 Ų108.279%0.78564%0.636SS**THydrogen-bonded Turntrans-97.8-16.7-175.6-79.8-134.5143.200115.5Q227 G232Q227-E230 PolarHBondContact O-N 3.26Å; E230-G232 PolarHBondContact O-N 2.93Å
231H42.2Very low48.2Very low155 Ų155109.2 Ų109.272%0.71864%0.641SS**SBendtrans-103.248.2-176.8-76.876000113.6L233H231-L233 PolarHBondContact O-N 3.48Å
232G44.5Very low47.8Very low73 Ų73110.6 Ų110.675%0.75364%0.644SS**  trans-40.8109.1177.400000113.5E230E230-G232 PolarHBondContact O-N 2.93Å
233L43.5Very low47.5Very low161 Ų161107.3 Ų107.384%0.84364%0.637SS**PPolyproline II helixtrans-63.3131.6175.2-99.480.3000109.8H231H231-L233 PolarHBondContact O-N 3.48Å
234P45.2Very low47.4Very low119 Ų119111 Ų11177%0.77365%0.646SS**PPolyproline II helixtrans-75.1131.1176.227.5-30.7000111.8
235D48.3Very low47.3Very low133 Ų133113 Ų11371%0.71165%0.652SS**PPolyproline II helixtrans-62.2137.4179.3-100.9-32.7000112.7G237 S238D235-G237 PolarHBondContact O-N 3.29Å; D235-S238 PolarHBondContact O-N 2.03Å; D235-S238 PolarHBondContact O-OG 3.34Å
236P44.7Very low47.5Very low99 Ų99115.3 Ų115.364%0.64365%0.651SS**THydrogen-bonded Turntrans-63-4.4174.123.4-31.5000114.5S238P236-S238 VanDerWaalsContact C-N 3.32Å; P236-S238 PolarHBondContact O-N 2.99Å
237G51Low47.6Very low39 Ų39116.6 Ų116.640%0.40265%0.652SS.*Hα-helixtrans-69.2-24.7175.700000114.4D235 L239 L240 V241D235-G237 PolarHBondContact O-N 3.29Å; G237-L239 PolarHBondContact O-N 3.29Å; G237-L240 PolarHBondContact O-N 3.18Å; G237-V241 PolarHBondContact O-N 3.3Å
238S48.8Very low47.3Very low81 Ų81113.2 Ų113.257%0.56665%0.649SS**Hα-helixtrans-70.7-29.2-179.259.70000113.5D235 P236D235-S238 PolarHBondContact O-N 2.03Å; D235-S238 PolarHBondContact O-OG 3.34Å; P236-S238 VanDerWaalsContact C-N 3.32Å; P236-S238 PolarHBondContact O-N 2.99Å
239L48.1Very low47.7Very low136 Ų136117.7 Ų117.771%0.71265%0.647SS**Hα-helixtrans-72.3-30176.1-73.8168.8000112.6G237 S243G237-L239 PolarHBondContact O-N 3.29Å; L239-S243 PolarHBondContact O-N 3.05Å
240L51.9Low48.2Very low107 Ų107115.1 Ų115.156%0.5663%0.633SS**Hα-helixtrans-72.5-37.1178.5-76.8166.2000111.8G237 H242 S243 F244G237-L240 PolarHBondContact O-N 3.18Å; L240-H242 VanDerWaalsContact C-N 3.28Å; L240-H242 PolarHBondContact O-N 3.03Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 3.01Å; L240-S243 VanDerWaalsContact O-N 3.08Å; L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 WeakPolarHBondContact O-CD2 3.25Å; L240-F244 PolarHBondContact O-N 3.29Å; L240-F244 VanDerWaalsContact O-N 3.11Å
241V51Low48.5Very low97 Ų97112.1 Ų112.159%0.58862%0.623SS**Hα-helixtrans-61.6-37.3178.2176.10000111.6G237 S243 F244 Q245G237-V241 PolarHBondContact O-N 3.3Å; V241-S243 VanDerWaalsContact C-N 3.34Å; V241-S243 PolarHBondContact O-N 3.3Å; V241-F244 PolarHBondContact O-N 2.98Å; V241-Q245 PolarHBondContact O-N 3.35Å
242H49.5Very low49.1Very low134 Ų134107.6 Ų107.662%0.6261%0.609SS**Hα-helixtrans-70.3-29.2176.3-167.6-91.5000112.8L240L240-H242 VanDerWaalsContact C-N 3.28Å; L240-H242 PolarHBondContact O-N 3.03Å
243S48.3Very low49.4Very low73 Ų73109 Ų10951%0.5160%0.598SS.*Hα-helixtrans-73.6-31.2174.3-166.80000112.6L239 L240 V241 Q246L239-S243 PolarHBondContact O-N 3.05Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 3.01Å; L240-S243 VanDerWaalsContact O-N 3.08Å; V241-S243 VanDerWaalsContact C-N 3.34Å; V241-S243 PolarHBondContact O-N 3.3Å; S243-Q246 PolarHBondContact O-N 2.78Å
244F51.1Low50.1Low138 Ų138104.4 Ų104.461%0.60558%0.579SS**Hα-helixtrans-72.4-26.3178.4-77.7-67.2000113.5L240 V241 Q246 L247L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 WeakPolarHBondContact O-CD2 3.25Å; L240-F244 PolarHBondContact O-N 3.29Å; L240-F244 VanDerWaalsContact O-N 3.11Å; V241-F244 PolarHBondContact O-N 2.98Å; F244-Q246 PolarHBondContact O-N 2.04Å; F244-L247 HydrophobicContact CD1-CD1 3.74Å; F244-L247 HydrophobicContact CE1-CD1 4.2Å; F244-L247 PolarHBondContact O-N 3.04Å
245Q53Low50.7Low151 Ų151105.7 Ų105.771%0.70658%0.575SS**THydrogen-bonded Turntrans-65.5-21.2173.5-86177.9-31.400113.6V241V241-Q245 PolarHBondContact O-N 3.35Å
246Q51.5Low50.9Low119 Ų119104.8 Ų104.856%0.55657%0.567SS**THydrogen-bonded Turntrans-76.1-23.3176-69.1-90.6-36.100112.9S243 F244 G248 R249S243-Q246 PolarHBondContact O-N 2.78Å; F244-Q246 PolarHBondContact O-N 2.04Å; Q246-G248 VanDerWaalsContact C-N 3.32Å; Q246-G248 PolarHBondContact O-N 2.91Å; Q246-R249 PolarHBondContact O-N 2.97Å
247L50.9Low51.6Low98 Ų98105 Ų10551%0.51356%0.562SS.*THydrogen-bonded Turntrans-72.3-21.8179.4-83.4145.5000113.2F244 R249 I250F244-L247 HydrophobicContact CD1-CD1 3.74Å; F244-L247 HydrophobicContact CE1-CD1 4.2Å; F244-L247 PolarHBondContact O-N 3.04Å; L247-R249 PolarHBondContact O-N 3.38Å; L247-I250 HydrophobicContact CD2-CD1 4.04Å; L247-I250 PolarHBondContact O-N 3.21Å
248G45.5Very low51.8Low49 Ų49104.7 Ų104.751%0.50555%0.553SS.*Hα-helixtrans-66.1-13.2174.600000114.6Q246Q246-G248 VanDerWaalsContact C-N 3.32Å; Q246-G248 PolarHBondContact O-N 2.91Å
249R50Low52.1Low181 Ų181107.4 Ų107.468%0.68356%0.555SS**Hα-helixtrans-75.5-21.7173.8-104.9175.2178.5160.6-0.9113.6Q246 L247 S252Q246-R249 PolarHBondContact O-N 2.97Å; L247-R249 PolarHBondContact O-N 3.38Å; R249-S252 PolarHBondContact O-N 3.25Å
250I50Low52.2Low106 Ų106106.6 Ų106.654%0.54455%0.551SS.*Hα-helixtrans-77.2-34.4-177.4-69.4163000110.9L247 S252 L253 S254L247-I250 HydrophobicContact CD2-CD1 4.04Å; L247-I250 PolarHBondContact O-N 3.21Å; I250-S252 PolarHBondContact O-N 3.25Å; I250-L253 PolarHBondContact O-N 3.42Å; I250-S254 PolarHBondContact O-N 3.38Å
251D50.5Low52.3Low105 Ų105106.8 Ų106.856%0.56155%0.549SS*.Hα-helixtrans-64.4-29.4173.1-69.1-37.4000112.2L253 S254 E255D251-L253 PolarHBondContact O-N 3.31Å; D251-S254 PolarHBondContact O-OG 2.72Å; D251-E255 PolarHBondContact O-N 3.01Å
252S53Low52.3Low61 Ų61107.7 Ų107.743%0.42755%0.546SS..Hα-helixtrans-70.3-29.3175.1178.70000113.6R249 I250 Q256R249-S252 PolarHBondContact O-N 3.25Å; I250-S252 PolarHBondContact O-N 3.25Å; S252-Q256 WeakPolarHBondContact O-CG 3.02Å
253L51.4Low52.5Low103 Ų103108.9 Ų108.954%0.53955%0.552SS.*Hα-helixtrans-84-30.3179.1-74168.5000111.7I250 D251 Q256 I257I250-L253 PolarHBondContact O-N 3.42Å; D251-L253 PolarHBondContact O-N 3.31Å; L253-Q256 PolarHBondContact O-N 2.77Å; L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.77Å; L253-I257 VanDerWaalsContact O-N 3.13Å
254S57.5Low52.7Low63 Ų63112.9 Ų112.944%0.44157%0.567SS.*Hα-helixtrans-68.3-36.2173.9680000112I250 D251 S258I250-S254 PolarHBondContact O-N 3.38Å; D251-S254 PolarHBondContact O-OG 2.72Å; S254-S258 WeakPolarHBondContact O-CB 3.03Å; S254-S258 PolarHBondContact O-N 3.39Å
255E58.3Low52.9Low147 Ų147108.7 Ų108.769%0.68756%0.562SS**Hα-helixtrans-65.3-37.7172.2-73-159.616600112.8D251 S258 F259D251-E255 PolarHBondContact O-N 3.01Å; E255-S258 PolarHBondContact O-N 3.28Å; E255-F259 PolarHBondContact O-N 2.83Å; E255-F259 VanDerWaalsContact O-N 3.12Å
256Q53.5Low53.2Low113 Ų113105.8 Ų105.853%0.52856%0.559SS.*Hα-helixtrans-70.4-34.6178.6-73.3175.64.200113.2S252 L253 L260S252-Q256 WeakPolarHBondContact O-CG 3.02Å; L253-Q256 PolarHBondContact O-N 2.77Å; Q256-L260 PolarHBondContact O-N 3.45Å
257I59.8Low53.7Low105 Ų105102.1 Ų102.154%0.53855%0.546SS..Hα-helixtrans-72.3-37.2173.9-65.1167.4000110.6L253 F259 L260 E261L253-I257 WeakPolarHBondContact O-CG1 3.41Å; L253-I257 PolarHBondContact O-N 2.77Å; L253-I257 VanDerWaalsContact O-N 3.13Å; I257-F259 VanDerWaalsContact C-N 3.28Å; I257-F259 PolarHBondContact O-N 3.36Å; I257-L260 PolarHBondContact O-N 2.9Å; I257-E261 PolarHBondContact O-N 2.03Å; I257-E261 VanDerWaalsContact O-N 3.11Å
258S55Low54.3Low32 Ų32102.1 Ų102.122%0.22455%0.554CS.*Hα-helixtrans-60.3-36.4173.9-179.80000112.6S254 E255 L260 E261 E262S254-S258 WeakPolarHBondContact O-CB 3.03Å; S254-S258 PolarHBondContact O-N 3.39Å; E255-S258 PolarHBondContact O-N 3.28Å; S258-L260 VanDerWaalsContact C-N 3.34Å; S258-E261 PolarHBondContact O-N 3.24Å; S258-E262 WeakPolarHBondContact O-CB 3.44Å; S258-E262 PolarHBondContact O-N 3.23Å; S258-E262 VanDerWaalsContact O-N 3.1Å
259F53.3Low55.2Low137 Ų137102.6 Ų102.660%0.60155%0.549SS*.Hα-helixtrans-67.9-33.2177.2-178.6-100.2000112.5E255 I257E255-F259 PolarHBondContact O-N 2.83Å; E255-F259 VanDerWaalsContact O-N 3.12Å; I257-F259 VanDerWaalsContact C-N 3.28Å; I257-F259 PolarHBondContact O-N 3.36Å
260L50.8Low55.8Low120 Ų120102.5 Ų102.563%0.62855%0.554SS**Hα-helixtrans-75.4-32.9176.1-73.5169.7000112.7Q256 I257 S258Q256-L260 PolarHBondContact O-N 3.45Å; I257-L260 PolarHBondContact O-N 2.9Å; S258-L260 VanDerWaalsContact C-N 3.34Å
261E53.5Low56.3Low111 Ų111106 Ų10652%0.51957%0.565SS.*Hα-helixtrans-73.1-28.2173.3-71-174.8162.200112.9I257 S258 Q263 L264 G265I257-E261 PolarHBondContact O-N 2.03Å; I257-E261 VanDerWaalsContact O-N 3.11Å; S258-E261 PolarHBondContact O-N 3.24Å; E261-Q263 PolarHBondContact O-N 2.95Å; E261-L264 PolarHBondContact O-N 3.18Å; E261-G265 PolarHBondContact O-N 3.32Å
262E52.2Low56.7Low115 Ų115106.9 Ų106.954%0.53757%0.57SS.*Hα-helixtrans-60.4-30.5175.6-173.5167.5-172.500112.8S258S258-E262 WeakPolarHBondContact O-CB 3.44Å; S258-E262 PolarHBondContact O-N 3.23Å; S258-E262 VanDerWaalsContact O-N 3.1Å
263Q53Low56.2Low159 Ų159112.8 Ų112.874%0.74361%0.611SS**THydrogen-bonded Turntrans-77.1-21.1174.4-74.1-131.9-34.300114.3E261E261-Q263 PolarHBondContact O-N 2.95Å
264L52.1Low56.5Low158 Ų158113.3 Ų113.383%0.82762%0.615SS**THydrogen-bonded Turntrans-93.9-14.1-173.5-74162.8000113.6E261E261-L264 PolarHBondContact O-N 3.18Å
265G56.1Low56.4Low49 Ų49115.9 Ų115.951%0.50562%0.624SS.*SBendtrans-113.322-176.500000115.9E261 C267E261-G265 PolarHBondContact O-N 3.32Å; G265-C267 PolarHBondContact O-N 3.19Å; G265-C267 VanDerWaalsContact O-N 3.16Å
266S58.9Low56.3Low91 Ų91114.2 Ų114.264%0.63662%0.62SS**  trans-70.3114.3-168.684.20000112.7S268S266-S268 PolarHBondContact O-N 2.94Å
267C61.8Low56.5Low41 Ų41114.3 Ų114.328%0.27763%0.626SS.*  trans-47.9119.1155.2-1050000108.6C62 G265C62-C267 HydrophobicContact CB-CB 3.77Å; C62-C267 WeakPolarHBondContact CB-SG 3.47Å; C62-C267 WeakPolarHBondContact SG-CB 3.21Å; C62-C267 CovalentContact SG-SG 2.05Å; C62-C267 PolarHBondContact SG-SG 3.39Å; G265-C267 PolarHBondContact O-N 3.19Å; G265-C267 VanDerWaalsContact O-N 3.16Å
268S64.2Low56.3Low99 Ų99114.9 Ų114.969%0.69263%0.631SS**  trans-105.3117.7176.61770000110S266 K270S266-S268 PolarHBondContact O-N 2.94Å; S268-K270 PolarHBondContact O-N 3.45Å
269C64.4Low56.3Low58 Ų58120.4 Ų120.439%0.39266%0.658SS.*  trans-68.2112.2170.1-56.20000108.4C56 K271C56-C269 HydrophobicContact CB-CB 3.88Å; C56-C269 WeakPolarHBondContact CB-SG 3.42Å; C56-C269 WeakPolarHBondContact SG-CB 3.19Å; C56-C269 CovalentContact SG-SG 2.05Å; C56-C269 PolarHBondContact SG-SG 3.48Å; C269-K271 PolarHBondContact O-N 2.85Å
270K63.6Low56.6Low179 Ų179119.2 Ų119.278%0.77866%0.662SS**  trans-71.9126.4170.1-75.3-174.1176.4-178.20108.8S268S268-K270 PolarHBondContact O-N 3.45Å
271K58.9Low57Low181 Ų181119.2 Ų119.279%0.78767%0.665SS**  trans-79.2115.4164.3-75.1-177.2177.1179.30106.8C269 S273C269-K271 PolarHBondContact O-N 2.85Å; K271-S273 PolarHBondContact O-N 3.12Å; K271-S273 VanDerWaalsContact O-N 3.11Å
272D58.6Low57.3Low123 Ų123119.8 Ų119.866%0.65868%0.677SS**  trans-69.2104.6169-63.1-45.2000106.7R60R60-D272 IonicContact CZ-OD2 3.69Å; R60-D272 IonicContact NH1-OD2 2.97Å; R60-D272 PolarHBondContact NH1-OD2 3.37Å; R60-D272 IonicContact NH2-OD2 3.43Å; R60-D272 PolarHBondContact NH2-OD2 2.85Å
273S43.9Very low57.8Low185 Ų185120.3 Ų120.3100%1.29469%0.69SS**  trans-99.40171.156.50000110.2K271K271-S273 PolarHBondContact O-N 3.12Å; K271-S273 VanDerWaalsContact O-N 3.11Å

Retrieved 273 of 273 residues in 199 ms (Link to these results)