A0A077ZH93_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZH93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M75.2Confident88.8Confident238 Ų238125.4 Ų125.4100%1.17265%0.649SS**  0121.90-65.8168.117700108.6K3M1-K3 PolarHBondContact O-N 3.22Å
2A75.2Confident89.6Confident92 Ų92114.9 Ų114.976%0.7660%0.595SS**  trans-78110.9171.800000108.5H4A2-H4 PolarHBondContact O-N 2.8Å; A2-H4 VanDerWaalsContact O-N 3.14Å
3K80.7Confident90.1Very high203 Ų203111.7 Ų111.788%0.88360%0.596SS**  trans-65.5114.2172.1-70.5-175.3178-177.70107.7M1 S5M1-K3 PolarHBondContact O-N 3.22Å; K3-S5 PolarHBondContact O-N 3.4Å
4H80.6Confident90.5Very high170 Ų170108.4 Ų108.479%0.78758%0.582SS**  trans-64105.2171.8-71.4-72.9000108.3A2 D6A2-H4 PolarHBondContact O-N 2.8Å; A2-H4 VanDerWaalsContact O-N 3.14Å; H4-D6 PolarHBondContact O-N 2.76Å
5S87.6Confident91Very high83 Ų83104.2 Ų104.258%0.5856%0.563SS**  trans-69.4115.9173.550.50000109K3 I7K3-S5 PolarHBondContact O-N 3.4Å; S5-I7 PolarHBondContact O-N 3.46Å
6D92.3Very high91.4Very high110 Ų110107.4 Ų107.459%0.58857%0.574SS**  trans-73.517.1174.3-81-53.7000113.6H4 R8 K20H4-D6 PolarHBondContact O-N 2.76Å; D6-R8 VanDerWaalsContact O-CG 3.3Å; D6-R8 WeakPolarHBondContact O-CG 3.31Å; D6-R8 PolarHBondContact O-N 2.91Å; D6-K20 WeakPolarHBondContact OD1-CE 3.5Å; D6-K20 IonicContact OD1-NZ 2.59Å; D6-K20 PolarHBondContact OD1-NZ 2.6Å
7I95.6Very high91.8Very high103 Ų103108.4 Ų108.453%0.52857%0.572SS.*  trans-66113.8-179.4-62.3173.9000109.4S5 N9S5-I7 PolarHBondContact O-N 3.46Å; I7-N9 WeakPolarHBondContact CG2-OD1 3.49Å
8R97Very high92.1Very high131 Ų131110.6 Ų110.649%0.49457%0.571SS.*  trans-103.283.6179-51.6-164.4-164.7179.13.3110.4D6 F10 R18 F19 K20D6-R8 VanDerWaalsContact O-CG 3.3Å; D6-R8 WeakPolarHBondContact O-CG 3.31Å; D6-R8 PolarHBondContact O-N 2.91Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.15Å; R8-R18 HydrophobicContact CB-CB 3.64Å; R8-R18 WeakPolarHBondContact CD-O 3.47Å; R8-R18 PolarHBondContact O-NE 2.88Å; R8-R18 PolarHBondContact O-NH2 3.11Å; R8-F19 CarbonylContact C-O 3.37Å; R8-F19 VanDerWaalsContact CA-O 3.25Å; R8-F19 WeakPolarHBondContact CA-O 3.18Å; R8-K20 HydrophobicContact CG-CG 4.11Å
9N97Very high92.4Very high118 Ų118106.8 Ų106.863%0.63155%0.55SS*.  trans-74.8-13.4-174.7-75.3-20.3000114.7I7 F19I7-N9 WeakPolarHBondContact CG2-OD1 3.49Å; N9-F19 PolarHBondContact N-O 3.35Å
10F97.8Very high92.6Very high70 Ų70107 Ų10731%0.30755%0.546SS..EExtended strand (participates in β ladder)trans-109.7108.4-169.9-60.5-75.6000110.3R8 R18 F19 S21 K22 L25R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.15Å; F10-R18 CarbonylContact O-C 3.51Å; F10-R18 WeakPolarHBondContact O-CA 3.42Å; F10-F19 HydrophobicContact CB-CB 4.16Å; F10-F19 PolarHBondContact N-O 2.93Å; F10-F19 PolarHBondContact O-N 2.87Å; F10-S21 VanDerWaalsContact CD2-C 3.43Å; F10-K22 HydrophobicContact CD1-CB 4.09Å; F10-K22 HydrophobicContact CE1-CB 3.82Å; F10-K22 HydrophobicContact CE1-CG 4.46Å; F10-K22 HydrophobicContact CZ-CB 4.13Å; F10-L25 HydrophobicContact CB-CB 4.07Å; F10-L25 HydrophobicContact CB-CD2 3.92Å
11C97.8Very high92.8Very high61 Ų61104.6 Ų104.641%0.41254%0.539SS..EExtended strand (participates in β ladder)trans-101.1140.1-179-159.60000111.6Q16 R18C11-Q16 VanDerWaalsContact SG-C 3.59Å; C11-Q16 PolarHBondContact SG-O 3.5Å; C11-Q16 VanDerWaalsContact SG-O 3.32Å; C11-R18 HydrophobicContact CB-CG 4.26Å
12C98Very high93.9Very high0 Ų097.1 Ų97.10%050%0.5CS..  trans-77.8126.4168.5-176.40000110.1V14 Q16 K17 F19 L25 H28C12-V14 PolarHBondContact O-N 2.85Å; C12-Q16 WeakPolarHBondContact O-CA 3.33Å; C12-Q16 PolarHBondContact O-N 3.48Å; C12-K17 PolarHBondContact N-O 2.88Å; C12-F19 HydrophobicContact CB-CE2 4.32Å; C12-L25 HydrophobicContact CB-CD1 3.84Å; C12-H28 WeakPolarHBondContact CB-NE2 3.12Å; C12-H28 PolarHBondContact SG-NE2 3.14Å
13A96.2Very high94.9Very high73 Ų7395.1 Ų95.160%0.60349%0.488SS*.THydrogen-bonded Turntrans-65.1-28.9179.200000112.5W43A13-W43 HydrophobicContact CB-CE3 3.64Å; A13-W43 HydrophobicContact CB-CH2 4.43Å; A13-W43 HydrophobicContact CB-CZ3 3.47Å; A13-W43 VanDerWaalsContact CB-CZ3 3.47Å
14V96.4Very high95.7Very high66 Ų6687.5 Ų87.540%0.446%0.461SS..THydrogen-bonded Turntrans-85.4-44.4-170.7178.30000113.3C12 I38 W43C12-V14 PolarHBondContact O-N 2.85Å; V14-I38 HydrophobicContact CB-CD1 4.15Å; V14-I38 HydrophobicContact CG1-CD1 4.23Å; V14-I38 HydrophobicContact CG1-CG1 4.13Å; V14-I38 HydrophobicContact CG2-CD1 3.38Å; V14-I38 HydrophobicContact CG2-CG1 3.88Å; V14-W43 HydrophobicContact CG2-CH2 4.46Å; V14-W43 HydrophobicContact CG2-CZ2 4.23Å
15C97.7Very high96.5Very high45 Ų4579.6 Ų79.630%0.30442%0.424SS..THydrogen-bonded Turntrans-120.611.3178.171.90000114.8K17 H28 H32C15-K17 PolarHBondContact O-N 3.48Å; C15-K17 VanDerWaalsContact SG-CD 3.59Å; C15-H28 PolarHBondContact SG-CE1 2.99Å; C15-H28 PolarHBondContact SG-NE2 3.23Å; C15-H32 PolarHBondContact SG-NE2 3.45Å
16Q97.4Very high97Very high156 Ų15677.3 Ų77.373%0.72941%0.408SS*.  trans56.513.9175.4-54.7-171.211.600116.1C11 C12 R18C11-Q16 VanDerWaalsContact SG-C 3.59Å; C11-Q16 PolarHBondContact SG-O 3.5Å; C11-Q16 VanDerWaalsContact SG-O 3.32Å; C12-Q16 WeakPolarHBondContact O-CA 3.33Å; C12-Q16 PolarHBondContact O-N 3.48Å; Q16-R18 PolarHBondContact O-N 2.86Å
17K98Very high97.2Very high124 Ų12480.9 Ų80.954%0.53942%0.415SS..  trans-66.6132.9173.8-70.7177.6-172.2173.10110.3C12 C15 F19C12-K17 PolarHBondContact N-O 2.88Å; C15-K17 PolarHBondContact O-N 3.48Å; C15-K17 VanDerWaalsContact SG-CD 3.59Å; K17-F19 HydrophobicContact CB-CE2 3.71Å; K17-F19 HydrophobicContact CB-CZ 3.97Å; K17-F19 VanDerWaalsContact O-CD2 3.3Å; K17-F19 WeakPolarHBondContact O-CD2 3.42Å; K17-F19 WeakPolarHBondContact O-CE2 3.45Å
18R98.1Very high97.4Very high147 Ų14777 Ų7756%0.55539%0.394SS*.EExtended strand (participates in β ladder)trans-101.5136-179.3-60.9179.367.6162.24.4111.9R8 F10 C11 Q16R8-R18 HydrophobicContact CB-CB 3.64Å; R8-R18 WeakPolarHBondContact CD-O 3.47Å; R8-R18 PolarHBondContact O-NE 2.88Å; R8-R18 PolarHBondContact O-NH2 3.11Å; F10-R18 CarbonylContact O-C 3.51Å; F10-R18 WeakPolarHBondContact O-CA 3.42Å; C11-R18 HydrophobicContact CB-CG 4.26Å; Q16-R18 PolarHBondContact O-N 2.86Å
19F97.7Very high97.4Very high39 Ų3971 Ų7117%0.17137%0.373CS..EExtended strand (participates in β ladder)trans-121.5150.2-172.5-65-89000112.1R8 N9 F10 C12 K17 L25 H28R8-F19 CarbonylContact C-O 3.37Å; R8-F19 VanDerWaalsContact CA-O 3.25Å; R8-F19 WeakPolarHBondContact CA-O 3.18Å; N9-F19 PolarHBondContact N-O 3.35Å; F10-F19 HydrophobicContact CB-CB 4.16Å; F10-F19 PolarHBondContact N-O 2.93Å; F10-F19 PolarHBondContact O-N 2.87Å; C12-F19 HydrophobicContact CB-CE2 4.32Å; K17-F19 HydrophobicContact CB-CE2 3.71Å; K17-F19 HydrophobicContact CB-CZ 3.97Å; K17-F19 VanDerWaalsContact O-CD2 3.3Å; K17-F19 WeakPolarHBondContact O-CD2 3.42Å; K17-F19 WeakPolarHBondContact O-CE2 3.45Å; F19-L25 HydrophobicContact CB-CB 4.2Å; F19-L25 HydrophobicContact CD2-CB 4.11Å; F19-L25 HydrophobicContact CD2-CD1 3.66Å; F19-L25 HydrophobicContact CE2-CD1 3.99Å; F19-L25 HydrophobicContact CG-CB 4.2Å; F19-H28 HydrophobicContact CE1-CB 3.81Å; F19-H28 HydrophobicContact CE2-CB 4.12Å; F19-H28 AromaticContact CE2-CD2 3.23Å; F19-H28 WeakPolarHBondContact CE2-CD2 3.11Å; F19-H28 AromaticContact CE2-CG 3.8Å; F19-H28 AromaticContact CE2-NE2 3.99Å; F19-H28 HydrophobicContact CZ-CB 3.47Å; F19-H28 VanDerWaalsContact CZ-CB 3.47Å; F19-H28 AromaticContact CZ-CD2 3.2Å; F19-H28 WeakPolarHBondContact CZ-CD2 3.49Å; F19-H28 AromaticContact CZ-CG 3.26Å; F19-H28 AromaticContact CZ-NE2 3.97Å
20K96.6Very high97.4Very high111 Ų11171.8 Ų71.848%0.48337%0.368SS..SBendtrans-76.9-21.9177.5-68.6-173.4177.1-173.20113.3D6 R8D6-K20 WeakPolarHBondContact OD1-CE 3.5Å; D6-K20 IonicContact OD1-NZ 2.59Å; D6-K20 PolarHBondContact OD1-NZ 2.6Å; R8-K20 HydrophobicContact CG-CG 4.11Å
21S96.7Very high97.3Very high57 Ų5770.5 Ų70.540%0.39937%0.367SS..SBendtrans-140.9148.2-177.569.40000112.6F10 G23 S24 L25F10-S21 VanDerWaalsContact CD2-C 3.43Å; S21-G23 PolarHBondContact O-N 3.13Å; S21-S24 PolarHBondContact N-OG 2.91Å; S21-S24 PolarHBondContact O-N 2.99Å; S21-S24 VanDerWaalsContact O-N 3.12Å; S21-S24 PolarHBondContact O-OG 3.02Å; S21-S24 PolarHBondContact OG-N 3.13Å; S21-S24 PolarHBondContact OG-OG 3.37Å; S21-L25 PolarHBondContact O-N 3.14Å; S21-L25 VanDerWaalsContact O-N 3.14Å
22K97.1Very high97.3Very high80 Ų8068.2 Ų68.235%0.34835%0.351SS..Hα-helixtrans-53.7-39.9174.3-171.7166.1175.9172.50112F10 S24 L25 S26 E46 L47F10-K22 HydrophobicContact CD1-CB 4.09Å; F10-K22 HydrophobicContact CE1-CB 3.82Å; F10-K22 HydrophobicContact CE1-CG 4.46Å; F10-K22 HydrophobicContact CZ-CB 4.13Å; K22-S24 PolarHBondContact O-N 3.23Å; K22-L25 WeakPolarHBondContact O-CB 3.16Å; K22-L25 PolarHBondContact O-N 2.98Å; K22-S26 PolarHBondContact O-N 3.46Å; K22-S26 PolarHBondContact O-OG 3.5Å; K22-E46 IonicContact NZ-OE2 3.72Å; K22-E46 PolarHBondContact NZ-OE2 3.39Å; K22-L47 HydrophobicContact CD-CD2 4.28Å; K22-L47 HydrophobicContact CG-CD2 3.93Å
23G97.2Very high97.2Very high50 Ų5071.3 Ų71.352%0.51537%0.367SS..Hα-helixtrans-65.7-35178.300000114.8S21 S26 Y27S21-G23 PolarHBondContact O-N 3.13Å; G23-S26 PolarHBondContact O-N 2.95Å; G23-Y27 PolarHBondContact O-N 3.26Å; G23-Y27 VanDerWaalsContact O-N 3.08Å
24S97.6Very high97.2Very high43 Ų4376.1 Ų76.130%0.30137%0.374SS..Hα-helixtrans-72.8-35.2174.6510000111.9S21 K22 S26 H28S21-S24 PolarHBondContact N-OG 2.91Å; S21-S24 PolarHBondContact O-N 2.99Å; S21-S24 VanDerWaalsContact O-N 3.12Å; S21-S24 PolarHBondContact O-OG 3.02Å; S21-S24 PolarHBondContact OG-N 3.13Å; S21-S24 PolarHBondContact OG-OG 3.37Å; K22-S24 PolarHBondContact O-N 3.23Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S24-H28 WeakPolarHBondContact O-CB 3.45Å; S24-H28 PolarHBondContact O-N 3.35Å; S24-H28 VanDerWaalsContact O-N 3.17Å
25L97.9Very high97.2Very high5 Ų578.3 Ų78.33%0.02638%0.383CS..Hα-helixtrans-60.1-42.9167.2177.966.2000111.6F10 C12 F19 S21 K22 H28 A29 F44F10-L25 HydrophobicContact CB-CB 4.07Å; F10-L25 HydrophobicContact CB-CD2 3.92Å; C12-L25 HydrophobicContact CB-CD1 3.84Å; F19-L25 HydrophobicContact CB-CB 4.2Å; F19-L25 HydrophobicContact CD2-CB 4.11Å; F19-L25 HydrophobicContact CD2-CD1 3.66Å; F19-L25 HydrophobicContact CE2-CD1 3.99Å; F19-L25 HydrophobicContact CG-CB 4.2Å; S21-L25 PolarHBondContact O-N 3.14Å; S21-L25 VanDerWaalsContact O-N 3.14Å; K22-L25 WeakPolarHBondContact O-CB 3.16Å; K22-L25 PolarHBondContact O-N 2.98Å; L25-H28 PolarHBondContact O-N 2.9Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.24Å; L25-F44 HydrophobicContact CD2-CE2 3.73Å; L25-F44 HydrophobicContact CD2-CZ 3.53Å; L25-F44 HydrophobicContact CG-CE2 4.17Å; L25-F44 HydrophobicContact CG-CZ 4.39Å
26S97Very high97Very high34 Ų3478.5 Ų78.524%0.23839%0.394CS..Hα-helixtrans-62.6-47.2-179.8-46.40000113.3K22 G23 S24 H28 A29 Y30 L47K22-S26 PolarHBondContact O-N 3.46Å; K22-S26 PolarHBondContact O-OG 3.5Å; G23-S26 PolarHBondContact O-N 2.95Å; S24-S26 VanDerWaalsContact C-N 3.34Å; S26-H28 VanDerWaalsContact C-N 3.25Å; S26-H28 PolarHBondContact O-N 3.38Å; S26-A29 PolarHBondContact O-N 3.37Å; S26-Y30 PolarHBondContact O-N 3.42Å; S26-L47 WeakPolarHBondContact OG-CD1 3.46Å; S26-L47 WeakPolarHBondContact OG-CD2 3.2Å
27Y97.4Very high96.7Very high186 Ų18675.3 Ų75.373%0.72938%0.381SS*.Hα-helixtrans-62.2-36.9177.6-177.4-98.9000111.6G23 Y30 S31G23-Y27 PolarHBondContact O-N 3.26Å; G23-Y27 VanDerWaalsContact O-N 3.08Å; Y27-Y30 WeakPolarHBondContact O-CB 3.46Å; Y27-Y30 PolarHBondContact O-N 2.92Å; Y27-S31 PolarHBondContact O-N 2.99Å
28H98.2Very high96.4Very high21 Ų2170.9 Ų70.910%0.09736%0.363CS..Hα-helixtrans-71.4-40.8175168.755.5000113.1C12 C15 F19 S24 L25 S26 Y30 S31 H32C12-H28 WeakPolarHBondContact CB-NE2 3.12Å; C12-H28 PolarHBondContact SG-NE2 3.14Å; C15-H28 PolarHBondContact SG-CE1 2.99Å; C15-H28 PolarHBondContact SG-NE2 3.23Å; F19-H28 HydrophobicContact CE1-CB 3.81Å; F19-H28 HydrophobicContact CE2-CB 4.12Å; F19-H28 AromaticContact CE2-CD2 3.23Å; F19-H28 WeakPolarHBondContact CE2-CD2 3.11Å; F19-H28 AromaticContact CE2-CG 3.8Å; F19-H28 AromaticContact CE2-NE2 3.99Å; F19-H28 HydrophobicContact CZ-CB 3.47Å; F19-H28 VanDerWaalsContact CZ-CB 3.47Å; F19-H28 AromaticContact CZ-CD2 3.2Å; F19-H28 WeakPolarHBondContact CZ-CD2 3.49Å; F19-H28 AromaticContact CZ-CG 3.26Å; F19-H28 AromaticContact CZ-NE2 3.97Å; S24-H28 WeakPolarHBondContact O-CB 3.45Å; S24-H28 PolarHBondContact O-N 3.35Å; S24-H28 VanDerWaalsContact O-N 3.17Å; L25-H28 PolarHBondContact O-N 2.9Å; S26-H28 VanDerWaalsContact C-N 3.25Å; S26-H28 PolarHBondContact O-N 3.38Å; H28-Y30 PolarHBondContact O-N 3.23Å; H28-S31 PolarHBondContact ND1-OG 3.11Å; H28-S31 WeakPolarHBondContact O-CB 3.09Å; H28-S31 PolarHBondContact O-N 3.27Å; H28-S31 PolarHBondContact O-OG 3.48Å; H28-H32 AromaticContact CE1-CD2 3.82Å; H28-H32 AromaticContact CE1-NE2 3.3Å; H28-H32 PolarHBondContact CE1-NE2 3.06Å; H28-H32 VanDerWaalsContact CE1-NE2 3.3Å; H28-H32 AromaticContact NE2-CD2 3.9Å; H28-H32 AromaticContact NE2-NE2 3.39Å; H28-H32 PolarHBondContact NE2-NE2 3.27Å; H28-H32 PolarHBondContact O-N 3Å
29A97Very high95.7Very high5 Ų571.8 Ų71.84%0.04138%0.379CS..Hα-helixtrans-56.5-37.9172.300000111.5L25 S26 S31 H32 L33 W43 F44L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.24Å; S26-A29 PolarHBondContact O-N 3.37Å; A29-S31 VanDerWaalsContact C-N 3.32Å; A29-S31 PolarHBondContact O-N 3.26Å; A29-H32 PolarHBondContact O-N 3.2Å; A29-L33 PolarHBondContact O-N 3.04Å; A29-W43 HydrophobicContact CB-CH2 3.98Å; A29-W43 HydrophobicContact CB-CZ2 3.55Å; A29-F44 HydrophobicContact CB-CD2 4.5Å
30Y96.7Very high94.9Very high135 Ų13572.1 Ų72.153%0.52939%0.386SS..Hα-helixtrans-66.2-28.3174-168.6-98000113.7S26 Y27 H28 H32 L33 K34S26-Y30 PolarHBondContact O-N 3.42Å; Y27-Y30 WeakPolarHBondContact O-CB 3.46Å; Y27-Y30 PolarHBondContact O-N 2.92Å; H28-Y30 PolarHBondContact O-N 3.23Å; Y30-H32 VanDerWaalsContact C-N 3.32Å; Y30-H32 PolarHBondContact O-N 2.59Å; Y30-L33 HydrophobicContact CD2-CD2 4.24Å; Y30-L33 HydrophobicContact CE2-CD2 4.11Å; Y30-L33 PolarHBondContact O-N 3.32Å; Y30-K34 PolarHBondContact O-N 3.48Å
31S97.8Very high94Very high42 Ų4269.7 Ų69.729%0.29438%0.377SS..Hα-helixtrans-66.2-33.2174.568.70000113Y27 H28 A29 K34 N35Y27-S31 PolarHBondContact O-N 2.99Å; H28-S31 PolarHBondContact ND1-OG 3.11Å; H28-S31 WeakPolarHBondContact O-CB 3.09Å; H28-S31 PolarHBondContact O-N 3.27Å; H28-S31 PolarHBondContact O-OG 3.48Å; A29-S31 VanDerWaalsContact C-N 3.32Å; A29-S31 PolarHBondContact O-N 3.26Å; S31-K34 PolarHBondContact O-N 3.43Å; S31-N35 PolarHBondContact O-N 2.94Å; S31-N35 PolarHBondContact O-OD1 3.34Å
32H97Very high93.4Very high14 Ų1473.3 Ų73.37%0.06539%0.392CS..Hα-helixtrans-66.7-42.6174.5-75.3-56.9000112.1C15 H28 A29 Y30 K34 N35 G36 D37 I38C15-H32 PolarHBondContact SG-NE2 3.45Å; H28-H32 AromaticContact CE1-CD2 3.82Å; H28-H32 AromaticContact CE1-NE2 3.3Å; H28-H32 PolarHBondContact CE1-NE2 3.06Å; H28-H32 VanDerWaalsContact CE1-NE2 3.3Å; H28-H32 AromaticContact NE2-CD2 3.9Å; H28-H32 AromaticContact NE2-NE2 3.39Å; H28-H32 PolarHBondContact NE2-NE2 3.27Å; H28-H32 PolarHBondContact O-N 3Å; A29-H32 PolarHBondContact O-N 3.2Å; Y30-H32 VanDerWaalsContact C-N 3.32Å; Y30-H32 PolarHBondContact O-N 2.59Å; H32-K34 VanDerWaalsContact C-N 3.31Å; H32-K34 PolarHBondContact O-N 3.31Å; H32-N35 PolarHBondContact O-N 2.9Å; H32-G36 PolarHBondContact O-N 3.4Å; H32-G36 VanDerWaalsContact O-N 3.14Å; H32-D37 HydrophobicContact CB-CB 4.01Å; H32-D37 IonicContact CE1-OD2 3.79Å; H32-D37 IonicContact CG-OD2 3.6Å; H32-D37 IonicContact ND1-OD2 3.85Å; H32-D37 PolarHBondContact ND1-OD2 2.84Å; H32-D37 PolarHBondContact O-N 3.04Å; H32-I38 HydrophobicContact CB-CD1 3.41Å; H32-I38 VanDerWaalsContact CB-CD1 3.41Å; H32-I38 HydrophobicContact CB-CG1 3.83Å
33L95.1Very high92.6Very high64 Ų6473 Ų7334%0.33539%0.389SS..Hα-helixtrans-60-41173-175.472.3000111.6A29 Y30 N35 G36 M41A29-L33 PolarHBondContact O-N 3.04Å; Y30-L33 HydrophobicContact CD2-CD2 4.24Å; Y30-L33 HydrophobicContact CE2-CD2 4.11Å; Y30-L33 PolarHBondContact O-N 3.32Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.47Å; L33-G36 PolarHBondContact O-N 3.3Å; L33-M41 HydrophobicContact CD1-CG 4.21Å; L33-M41 HydrophobicContact CD2-CG 3.88Å; L33-M41 HydrophobicContact CD2-SD 3.79Å
34K96.1Very high91.9Very high175 Ų17572.3 Ų72.376%0.76137%0.372SS*.Hα-helixtrans-65.8-33.6177.9-172.6-177.8176-170.90112.8Y30 S31 H32Y30-K34 PolarHBondContact O-N 3.48Å; S31-K34 PolarHBondContact O-N 3.43Å; H32-K34 VanDerWaalsContact C-N 3.31Å; H32-K34 PolarHBondContact O-N 3.31Å
35N96.1Very high90.8Very high111 Ų11174.4 Ų74.459%0.59438%0.384SS*.Hα-helixtrans-81.4-15.4-179.7-68.7-4.8000113.5S31 H32 L33 D37S31-N35 PolarHBondContact O-N 2.94Å; S31-N35 PolarHBondContact O-OD1 3.34Å; H32-N35 PolarHBondContact O-N 2.9Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.47Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact ND2-OD2 3.27Å
36G94.9Very high89.7Confident50 Ų5080 Ų8052%0.51541%0.41SS..THydrogen-bonded Turntrans77.917-168.800000113.5H32 L33 I38H32-G36 PolarHBondContact O-N 3.4Å; H32-G36 VanDerWaalsContact O-N 3.14Å; L33-G36 PolarHBondContact O-N 3.3Å; G36-I38 PolarHBondContact O-N 2.66Å
37D91.2Very high88.2Confident88 Ų8880.3 Ų80.347%0.47141%0.409SS..SBendtrans-71.1-16.3176.6-58.6-31.7000112.1H32 N35H32-D37 HydrophobicContact CB-CB 4.01Å; H32-D37 IonicContact CE1-OD2 3.79Å; H32-D37 IonicContact CG-OD2 3.6Å; H32-D37 IonicContact ND1-OD2 3.85Å; H32-D37 PolarHBondContact ND1-OD2 2.84Å; H32-D37 PolarHBondContact O-N 3.04Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-D37 PolarHBondContact ND2-OD2 3.27Å
38I90.7Very high86.7Confident31 Ų3175.9 Ų75.916%0.15940%0.397CS..  trans-147.6120.9-177.9-42.2165.1000109V14 H32 G36 S40 W43V14-I38 HydrophobicContact CB-CD1 4.15Å; V14-I38 HydrophobicContact CG1-CD1 4.23Å; V14-I38 HydrophobicContact CG1-CG1 4.13Å; V14-I38 HydrophobicContact CG2-CD1 3.38Å; V14-I38 HydrophobicContact CG2-CG1 3.88Å; H32-I38 HydrophobicContact CB-CD1 3.41Å; H32-I38 VanDerWaalsContact CB-CD1 3.41Å; H32-I38 HydrophobicContact CB-CG1 3.83Å; G36-I38 PolarHBondContact O-N 2.66Å; I38-S40 VanDerWaalsContact C-N 3.28Å; I38-S40 WeakPolarHBondContact CG2-O 3.43Å; I38-S40 PolarHBondContact O-N 2.82Å; I38-W43 HydrophobicContact CD1-CZ2 3.98Å
39D83.8Confident85.2Confident166 Ų16679.1 Ų79.189%0.88842%0.419SS*.SBendtrans-75.6-11.2-178.9-62.3-48.8000114.3
40S81.6Confident83.3Confident46 Ų4684.3 Ų84.332%0.32245%0.452SS..  trans-144.8145.1179.1-174.60000114.3I38 D42I38-S40 VanDerWaalsContact C-N 3.28Å; I38-S40 WeakPolarHBondContact CG2-O 3.43Å; I38-S40 PolarHBondContact O-N 2.82Å; S40-D42 VanDerWaalsContact C-N 3.28Å; S40-D42 PolarHBondContact OG-N 3.29Å; S40-D42 VanDerWaalsContact OG-N 3.13Å; S40-D42 PolarHBondContact OG-OD2 2.82Å
41M77.8Confident81.7Confident61 Ų6182.9 Ų82.930%0.346%0.462SS..SBendtrans-81.52.1170.3-71.8-165.171.100114L33 W43 F44 I48L33-M41 HydrophobicContact CD1-CG 4.21Å; L33-M41 HydrophobicContact CD2-CG 3.88Å; L33-M41 HydrophobicContact CD2-SD 3.79Å; M41-W43 PolarHBondContact O-N 2.76Å; M41-F44 PolarHBondContact O-N 3.39Å; M41-I48 HydrophobicContact CB-CD1 3.83Å; M41-I48 HydrophobicContact CB-CG1 4.45Å; M41-I48 HydrophobicContact CE-CG1 4.09Å
42D83.3Confident79.9Confident132 Ų13292.5 Ų92.571%0.70649%0.492SS*.THydrogen-bonded Turntrans-56.4-22-176.5-65.2-36.8000114.1S40 F44 P45S40-D42 VanDerWaalsContact C-N 3.28Å; S40-D42 PolarHBondContact OG-N 3.29Å; S40-D42 VanDerWaalsContact OG-N 3.13Å; S40-D42 PolarHBondContact OG-OD2 2.82Å; D42-F44 PolarHBondContact O-N 3.3Å; D42-P45 WeakPolarHBondContact O-CD 3.42Å
43W81.1Confident78.3Confident74 Ų74102.7 Ų102.728%0.2853%0.529SS..THydrogen-bonded Turntrans-69.3-10.7175.777.7-80.9000114.4A13 V14 A29 I38 M41A13-W43 HydrophobicContact CB-CE3 3.64Å; A13-W43 HydrophobicContact CB-CH2 4.43Å; A13-W43 HydrophobicContact CB-CZ3 3.47Å; A13-W43 VanDerWaalsContact CB-CZ3 3.47Å; V14-W43 HydrophobicContact CG2-CH2 4.46Å; V14-W43 HydrophobicContact CG2-CZ2 4.23Å; A29-W43 HydrophobicContact CB-CH2 3.98Å; A29-W43 HydrophobicContact CB-CZ2 3.55Å; I38-W43 HydrophobicContact CD1-CZ2 3.98Å; M41-W43 PolarHBondContact O-N 2.76Å
44F80.9Confident76.9Confident35 Ų35109 Ų10915%0.15455%0.554CS.*  trans-136.160.1-178.3-119.5-44.5000115.3L25 A29 M41 D42 E46 L47 I48L25-F44 HydrophobicContact CD2-CE2 3.73Å; L25-F44 HydrophobicContact CD2-CZ 3.53Å; L25-F44 HydrophobicContact CG-CE2 4.17Å; L25-F44 HydrophobicContact CG-CZ 4.39Å; A29-F44 HydrophobicContact CB-CD2 4.5Å; M41-F44 PolarHBondContact O-N 3.39Å; D42-F44 PolarHBondContact O-N 3.3Å; F44-E46 VanDerWaalsContact C-N 3.26Å; F44-E46 PolarHBondContact O-N 3.34Å; F44-L47 HydrophobicContact CB-CB 4.34Å; F44-L47 HydrophobicContact CB-CD1 4.08Å; F44-L47 HydrophobicContact CB-CG 4.25Å; F44-L47 HydrophobicContact CD1-CB 4.31Å; F44-L47 HydrophobicContact CD1-CD1 3.6Å; F44-L47 HydrophobicContact CD1-CG 3.46Å; F44-L47 VanDerWaalsContact CD1-CG 3.46Å; F44-L47 HydrophobicContact CD2-CD1 3.71Å; F44-L47 HydrophobicContact CD2-CG 4.48Å; F44-L47 HydrophobicContact CE1-CD1 3.96Å; F44-L47 HydrophobicContact CE1-CG 3.93Å; F44-L47 HydrophobicContact CE2-CD1 4.07Å; F44-L47 HydrophobicContact CG-CB 4.42Å; F44-L47 HydrophobicContact CG-CD1 3.49Å; F44-L47 VanDerWaalsContact CG-CD1 3.49Å; F44-L47 HydrophobicContact CG-CG 3.8Å; F44-L47 HydrophobicContact CZ-CD1 4.2Å; F44-L47 PolarHBondContact O-N 3.3Å; F44-I48 PolarHBondContact O-N 2.9Å
45P76.2Confident75.4Confident87 Ų87109.2 Ų109.257%0.56556%0.558SS**Hα-helixtrans-59-35.3-178.524.9-34.1000112.8D42 L47 I48 T49D42-P45 WeakPolarHBondContact O-CD 3.42Å; P45-L47 PolarHBondContact O-N 2.9Å; P45-L47 VanDerWaalsContact O-N 3.11Å; P45-I48 PolarHBondContact O-N 2.91Å; P45-T49 PolarHBondContact O-N 3.32Å
46E73.5Confident73.9Confident123 Ų123115 Ų11558%0.57557%0.571SS**Hα-helixtrans-63.8-13.5176.9-65.3-161.3159.500115.2K22 F44 T49K22-E46 IonicContact NZ-OE2 3.72Å; K22-E46 PolarHBondContact NZ-OE2 3.39Å; F44-E46 VanDerWaalsContact C-N 3.26Å; F44-E46 PolarHBondContact O-N 3.34Å; E46-T49 PolarHBondContact O-OG1 3.35Å
47L66.4Low72.8Confident40 Ų40117 Ų11721%0.20958%0.577CS.*Hα-helixtrans-101-25.6178.7-63.4-174.2000112.8K22 S26 F44 P45K22-L47 HydrophobicContact CD-CD2 4.28Å; K22-L47 HydrophobicContact CG-CD2 3.93Å; S26-L47 WeakPolarHBondContact OG-CD1 3.46Å; S26-L47 WeakPolarHBondContact OG-CD2 3.2Å; F44-L47 HydrophobicContact CB-CB 4.34Å; F44-L47 HydrophobicContact CB-CD1 4.08Å; F44-L47 HydrophobicContact CB-CG 4.25Å; F44-L47 HydrophobicContact CD1-CB 4.31Å; F44-L47 HydrophobicContact CD1-CD1 3.6Å; F44-L47 HydrophobicContact CD1-CG 3.46Å; F44-L47 VanDerWaalsContact CD1-CG 3.46Å; F44-L47 HydrophobicContact CD2-CD1 3.71Å; F44-L47 HydrophobicContact CD2-CG 4.48Å; F44-L47 HydrophobicContact CE1-CD1 3.96Å; F44-L47 HydrophobicContact CE1-CG 3.93Å; F44-L47 HydrophobicContact CE2-CD1 4.07Å; F44-L47 HydrophobicContact CG-CB 4.42Å; F44-L47 HydrophobicContact CG-CD1 3.49Å; F44-L47 VanDerWaalsContact CG-CD1 3.49Å; F44-L47 HydrophobicContact CG-CG 3.8Å; F44-L47 HydrophobicContact CZ-CD1 4.2Å; F44-L47 PolarHBondContact O-N 3.3Å; P45-L47 PolarHBondContact O-N 2.9Å; P45-L47 VanDerWaalsContact O-N 3.11Å
48I64.9Low71.5Confident94 Ų94121.5 Ų121.548%0.48260%0.596SS.*Hα-helixtrans-73.9-34.2174.8-55.1173.1000110M41 F44 P45 P50M41-I48 HydrophobicContact CB-CD1 3.83Å; M41-I48 HydrophobicContact CB-CG1 4.45Å; M41-I48 HydrophobicContact CE-CG1 4.09Å; F44-I48 PolarHBondContact O-N 2.9Å; P45-I48 PolarHBondContact O-N 2.91Å; I48-P50 WeakPolarHBondContact O-CD 3.23Å
49T67.4Low70.3Confident89 Ų89126.7 Ų126.755%0.54662%0.623SS.*SBendtrans-60.5111.1170.653.70000109.2P45 E46 S51P45-T49 PolarHBondContact O-N 3.32Å; E46-T49 PolarHBondContact O-OG1 3.35Å; T49-S51 PolarHBondContact O-N 3.44Å
50P57.4Low69.3Low113 Ų113127.4 Ų127.473%0.73462%0.619SS**  trans-61118.7175.126.1-32.9000106.7I48 R52I48-P50 WeakPolarHBondContact O-CD 3.23Å; P50-R52 PolarHBondContact O-N 2.77Å
51S62.1Low68.6Low106 Ų106137 Ų13774%0.74165%0.648SS**  trans-49.2116.6177.6178.80000107.2T49 R53T49-S51 PolarHBondContact O-N 3.44Å; S51-R53 PolarHBondContact O-N 3.08Å
52R60.5Low68.3Low244 Ų244143 Ų14392%0.92167%0.673SS**  trans-67.172.4175.6-71.6-170.9-179.2-165.42.2108.2P50 K54P50-R52 PolarHBondContact O-N 2.77Å; R52-K54 PolarHBondContact O-N 2.66Å
53R62.9Low67.4Low227 Ų227143.7 Ų143.786%0.85768%0.676SS**  trans-52.1102.6153.5-83.1-175.3172.3173-0.6103.8S51 Q55S51-R53 PolarHBondContact O-N 3.08Å; R53-Q55 PolarHBondContact O-N 2.76Å
54K67.3Low66.9Low196 Ų196145.1 Ų145.185%0.85270%0.695SS**  trans-43.2115167.8-72.3-178.3176.4-179.10104.8R52 R56R52-K54 PolarHBondContact O-N 2.66Å; K54-R56 PolarHBondContact O-N 2.83Å
55Q62.7Low66.1Low181 Ų181148.1 Ų148.185%0.84673%0.726SS**  trans-48.6111.5-178.1-173.2176.73.200105R53 S57R53-Q55 PolarHBondContact O-N 2.76Å; Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 3.37Å
56R66.4Low65.4Low232 Ų232149.8 Ų149.888%0.87574%0.738SS**  trans-60.7105.3-169.4178-174.4-172179.94.3103.9K54 E58K54-R56 PolarHBondContact O-N 2.83Å; R56-E58 PolarHBondContact O-N 3.25Å; R56-E58 VanDerWaalsContact O-N 3.08Å
57S70.9Confident64.8Low91 Ų91147 Ų14764%0.63674%0.742SS**  trans-53.3127.2-169.846.40000106.5Q55 N59Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S57 PolarHBondContact O-N 3.37Å; S57-N59 PolarHBondContact O-N 2.61Å
58E64.9Low64.3Low184 Ų184152.8 Ų152.886%0.8677%0.774SS**  trans-69.376.9175.9-73.8-179.912200106.5R56 K60R56-E58 PolarHBondContact O-N 3.25Å; R56-E58 VanDerWaalsContact O-N 3.08Å; E58-K60 PolarHBondContact O-N 3.48Å
59N64.6Low64.2Low139 Ų139154.9 Ų154.974%0.74379%0.791SS**  trans-81.361.7-175.8-151.911000107.6S57 R61S57-N59 PolarHBondContact O-N 2.61Å; N59-R61 VanDerWaalsContact C-N 3.28Å; N59-R61 PolarHBondContact O-N 3.08Å
60K63.4Low64.3Low181 Ų181156 Ų15679%0.78780%0.797SS**  trans2564.2145.1-150.8164.5-171.9169.80112.7E58 K62E58-K60 PolarHBondContact O-N 3.48Å; K60-K62 PolarHBondContact O-N 3.12Å
61R66.5Low64.6Low247 Ų247156.2 Ų156.293%0.93280%0.798SS**  trans-65.692.8163.8-81.3-170171.9-171.7-3.7106.4N59 N63N59-R61 VanDerWaalsContact C-N 3.28Å; N59-R61 PolarHBondContact O-N 3.08Å; R61-N63 PolarHBondContact O-N 3.32Å; R61-N63 VanDerWaalsContact O-N 3.13Å
62K71Confident64.7Low189 Ų189158.1 Ų158.182%0.82280%0.799SS**PPolyproline II helixtrans-47.3119.8166.4-69.2178.5176.4-1800106.9K60 P64K60-K62 PolarHBondContact O-N 3.12Å; K62-P64 WeakPolarHBondContact O-CD 3.41Å
63N64.4Low64.6Low145 Ų145150 Ų15078%0.77579%0.791SS**PPolyproline II helixtrans-63.5119.2172.3-158.913.7000107R61 A65R61-N63 PolarHBondContact O-N 3.32Å; R61-N63 VanDerWaalsContact O-N 3.13Å; N63-A65 PolarHBondContact O-N 2.9Å
64P71.4Confident64.4Low105 Ų105146.6 Ų146.668%0.68279%0.789SS**PPolyproline II helixtrans-64.7131.8169.228.6-31.8000107.3K62 C66K62-P64 WeakPolarHBondContact O-CD 3.41Å; P64-C66 PolarHBondContact O-N 3.17Å; P64-C66 VanDerWaalsContact O-N 3.13Å
65A63.6Low63.9Low98 Ų98144.8 Ų144.881%0.8179%0.789SS**PPolyproline II helixtrans-59120.1-178.400000110.2N63 G67N63-A65 PolarHBondContact O-N 2.9Å; A65-G67 PolarHBondContact O-N 3.3Å
66C60.9Low63.5Low121 Ų121145.9 Ų145.982%0.81879%0.794SS**PPolyproline II helixtrans-60.9124.7161.8-71.80000107.8P64P64-C66 PolarHBondContact O-N 3.17Å; P64-C66 VanDerWaalsContact O-N 3.13Å
67G61.3Low62.9Low64 Ų64139.4 Ų139.466%0.6679%0.79SS**PPolyproline II helixtrans-63.2148.3-179.300000112.1A65 V69A65-G67 PolarHBondContact O-N 3.3Å; G67-V69 PolarHBondContact O-N 3.12Å; G67-V69 VanDerWaalsContact O-N 3.14Å
68N56Low62.1Low163 Ų163139.7 Ų139.787%0.87280%0.798SS**  trans-58.7115.2175.6-63.7-27.1000110.4
69V63.7Low61.7Low138 Ų138137.4 Ų137.484%0.83680%0.796SS**  trans-87.7110.6165.4178.20000107.6G67G67-V69 PolarHBondContact O-N 3.12Å; G67-V69 VanDerWaalsContact O-N 3.14Å
70V68.1Low61Low111 Ų111135.7 Ų135.767%0.67380%0.795SS**  trans-75.6130.91711790000108.3I72V70-I72 PolarHBondContact O-N 3.25Å
71P64.3Low60.4Low118 Ų118133.3 Ų133.377%0.76680%0.796SS**  trans-70.6114.7172.528.5-32.5000109.8G73P71-G73 PolarHBondContact O-N 3.41Å
72I63.6Low59.7Low147 Ų147127.5 Ų127.575%0.75479%0.793SS**  trans-79.5104.3169-62.5176.5000107.5V70 L74V70-I72 PolarHBondContact O-N 3.25Å; I72-L74 PolarHBondContact O-N 3.29Å
73G58.4Low58.9Low74 Ų74121.7 Ų121.776%0.76379%0.786SS**  trans-70.6121.2166.500000109.7P71P71-G73 PolarHBondContact O-N 3.41Å
74L59.2Low58.1Low155 Ų155122.8 Ų122.881%0.81279%0.791SS**  trans-106.879.4-175.9-160.3102.3000110.3I72I72-L74 PolarHBondContact O-N 3.29Å
75D57Low56.9Low158 Ų158122.8 Ų122.885%0.84579%0.789SS**  trans-149.4100.6173.2-87.5-45.6000110.3
76Q54.4Low56.1Low204 Ų204125.7 Ų125.795%0.95379%0.789SS**  trans-163.8126.6153.9-118.7164.555.700112.1
77A54.1Low55.4Low96 Ų96123.8 Ų123.879%0.79378%0.782SS**  trans-111.6135.2173.500000110.9
78A53.7Low54.7Low96 Ų96126.4 Ų126.479%0.79379%0.785SS**  trans76.3153.2151.800000121.4
79V55.6Low54.3Low137 Ų137126.4 Ų126.483%0.8378%0.78SS**  trans88.585.1161.1-160.90000118.4
80S50.1Low53.5Low102 Ų102124.9 Ų124.971%0.71377%0.771SS**  trans-29.3140.8148-38.50000117
81T51.2Low52.3Low132 Ų132125.2 Ų125.281%0.8178%0.779SS**  -174.3125.5106.1180000114.9
82S52.7Low51.5Low124 Ų124123.5 Ų123.587%0.86778%0.782SS**  trans29.4125.5138-46.40000122.9
83G52.4Low50.6Low67 Ų67128.5 Ų128.569%0.69179%0.792SS**  trans153.4104.9135.900000120
84I49.3Very low50.3Low169 Ų169130.1 Ų130.187%0.86779%0.791SS**  trans69.3149.2134.6-61.1168.3000118.7
85T45.6Very low49.5Very low105 Ų105129.2 Ų129.264%0.64480%0.797SS**  cis-172.4125.9-31.9-78.20000108.6
86I47.3Very low49.4Very low158 Ų158127.3 Ų127.381%0.8180%0.795SS**  trans38.4125.8148.5-49.8164.9000122.1
87A46.5Very low48.8Very low82 Ų82121.2 Ų121.268%0.67879%0.787SS**  trans179122.113000000109.6
88T46Very low49Very low118 Ų118122 Ų12272%0.72479%0.787SS**  52.6137.182.9520000114.2
89E46.4Very low48.6Very low163 Ų163124.3 Ų124.376%0.76279%0.786SS**  cis-167.1167.518.8-139.2174-117.600115.3
90T47Very low48.6Very low106 Ų106129.8 Ų129.865%0.6579%0.792SS**  trans50.2114.2147.725.80000126.3
91S43.8Very low48.7Very low118 Ų118130.9 Ų130.983%0.82580%0.795SS**  67.8132.4123.272.40000123.9
92G47.8Very low48.6Very low82 Ų82131 Ų13185%0.84580%0.795SS**  trans-163.5123.416200000111.7
93R45.4Very low48.8Very low253 Ų253131 Ų13196%0.95579%0.793SS**  trans-87.8152.2-177.5-64.6171169.9-170.9-3.3112.1
94S50.8Low48.4Very low107 Ų107133.2 Ų133.275%0.74880%0.797SS**  -176.5131.1128.2-171.40000112.1
95C41.6Very low48Very low137 Ų137129.7 Ų129.793%0.92679%0.794SS**  trans-138.7121.2168.7-68.30000110.6
96S56Low48Very low117 Ų117132.5 Ų132.582%0.81880%0.804SS**  trans-166.3138.8166.256.10000107.3
97G42.4Very low47.9Very low76 Ų76130.7 Ų130.778%0.78480%0.801SS**  cis146.4124.62.600000108.6
98S57.2Low47.9Very low112 Ų112132.1 Ų132.178%0.78380%0.801SS**  trans-164126.8173.1530000111.6
99N46.1Very low48Very low146 Ų146138.5 Ų138.578%0.78181%0.812SS**  trans-81157.5-175.6-58.6-43.4000112.7
100W55.1Low47.9Very low252 Ų252138 Ų13896%0.95581%0.81SS**  trans-128.8122.9150-78.292.5000109
101T51.1Low48.1Very low125 Ų125139.4 Ų139.477%0.76781%0.814SS**  trans-105.6127.4-175.5-50.20000109.7
102T49.9Very low48.4Very low133 Ų133143.9 Ų143.982%0.81681%0.814SS**PPolyproline II helixtrans-101134.2169.241.80000110.5
103P57.7Low48.2Very low126 Ų126146.8 Ų146.882%0.81882%0.815SS**PPolyproline II helixtrans-91.9138.7167.432.7-28.2000111
104S44.3Very low48.9Very low113 Ų113143.3 Ų143.379%0.7981%0.809SS**PPolyproline II helixtrans-86.4148177.757.60000113
105A40.3Very low49Very low95 Ų95143.3 Ų143.379%0.78580%0.801SS**  trans44.9120.7144.800000119.6
106N46.2Very low49.6Very low163 Ų163146.1 Ų146.187%0.87280%0.8SS**  trans-140.2137.3134.4-137.1-12.2000110.8
107T44.4Very low49.3Very low121 Ų121150.8 Ų150.874%0.74280%0.8SS**  trans-90.8174.9-173.519.70000112.3
108T46.2Very low49.7Very low111 Ų111150.3 Ų150.368%0.68180%0.796SS**  trans96.8100.1158.8-37.90000115.9
109W47.7Very low49.4Very low253 Ų253153.3 Ų153.396%0.95880%0.801SS**  trans-145.3129.2134.2-99.493.2000108.5
110Q44.3Very low49.2Very low153 Ų153149.2 Ų149.272%0.71579%0.793SS**  trans-96.4172.3176.6-69.8174.9-60.300110.5
111N52.9Low49.1Very low135 Ų135145 Ų14572%0.72279%0.789SS**  trans79.6100.5167.2-46.2-35.1000115.8
112Y48Very low48.7Very low212 Ų212142.6 Ų142.683%0.83178%0.783SS**  -157.8135.496.9-119.1-95.3000109.1
113V45.3Very low48.5Very low143 Ų143144.6 Ų144.687%0.86778%0.783SS**  trans-127.2118.2175.4170.70000106.3
114E58.4Low48Very low179 Ų179145.6 Ų145.684%0.83678%0.776SS**  trans-143.1133.6165.9-136.6158.2-160.200111.5
115D53.1Low48.1Very low108 Ų108144.5 Ų144.558%0.57877%0.774SS**  trans-59.3135.1-167.4-158.4-2.7000113.2R117D115-R117 IonicContact OD1-NE 3.9Å; D115-R117 IonicContact OD2-NE 2.61Å; D115-R117 IonicContact OD2-NH2 3.95Å
116Q54.2Low48.3Very low195 Ų195146.2 Ų146.291%0.91177%0.77SS**  trans-151.2119.7133.8-79.4-140.54.800111
117R49.4Very low48.3Very low215 Ų215146.7 Ų146.781%0.81176%0.764SS**  trans-89.5135.7171.9-53.9170.6-156.1-157.32.4109D115D115-R117 IonicContact OD1-NE 3.9Å; D115-R117 IonicContact OD2-NE 2.61Å; D115-R117 IonicContact OD2-NH2 3.95Å
118G52.1Low48.2Very low67 Ų67149 Ų14969%0.69177%0.767SS**  trans-173.485.2176.900000115.5
119I51.6Low48.1Very low174 Ų174151.3 Ų151.389%0.89277%0.77SS**  trans62.4110.6151.3-50.9173.3000116.2
120G41.9Very low47.8Very low60 Ų60150 Ų15062%0.61976%0.764SS**  trans-95.4166.6169.300000113.5
121N51.1Low47.7Very low163 Ų163152.3 Ų152.387%0.87277%0.768SS**  trans-166.8110140.8-88.7-27.8000105.7
122A44.1Very low46.8Very low76 Ų76151.7 Ų151.763%0.62877%0.773SS**  67.3101.4101.300000111.8
123Q45.9Very low46.3Very low174 Ų174149.5 Ų149.581%0.81377%0.77SS**  71.5134.4103.2-73.1-172.1-8800112.5
124E47.3Very low45.9Very low148 Ų148147.3 Ų147.369%0.69276%0.761SS**  cis-163.4159.326.5-169.174.6179.600108.9
125A46.5Very low45Very low89 Ų89147.2 Ų147.274%0.73677%0.766SS**  trans58.7158.1147.500000121.5
126N44.3Very low44.4Very low131 Ų131149.7 Ų149.770%0.70178%0.778SS**  cis-157.3165.7-33-149.5-34000108.2
127K45.5Very low43.5Very low174 Ų174145.5 Ų145.576%0.75777%0.771SS**  trans-45142.5-179.1-50.3142-168.8173.80115.4
128Q43Very low43.4Very low169 Ų169141.4 Ų141.479%0.7977%0.772SS**  167.5116.5110-89.6172.3-10.500109.9
129Q43.4Very low42.8Very low159 Ų159143.4 Ų143.474%0.74377%0.77SS**  83.5104.780.8-130.1174.8-13.500114.7
130R42.3Very low42.1Very low225 Ų225145.6 Ų145.685%0.84977%0.769SS**  trans33.2115.5143.8-56.1179.5-175.8-172.80.8118.8
131Y40.7Very low41.9Very low202 Ų202147.3 Ų147.379%0.79278%0.777SS**  -154.6130.9116.4-130.7-92.6000111E133Y131-E133 HydrophobicContact CD1-CB 4.38Å; Y131-E133 HydrophobicContact CE1-CB 4.19Å
132C34Very low41.4Very low122 Ų122144.3 Ų144.382%0.82478%0.775SS**  trans-126.6118.5161.5-69.50000105.8
133E38.6Very low41.4Very low166 Ų166152.7 Ų152.778%0.77679%0.791SS**  trans-155.6148.4156.6-120.9155.3-142.400112.1Y131Y131-E133 HydrophobicContact CD1-CB 4.38Å; Y131-E133 HydrophobicContact CE1-CB 4.19Å
134S37.2Very low41.5Very low97 Ų97150.5 Ų150.568%0.67879%0.789SS**  trans-82.8143.6-169.448.90000112.7
135L39.9Very low41.8Very low177 Ų177149 Ų14993%0.92779%0.793SS**  trans-120.5136.9154-73.4176.3000110.5
136L39.8Very low41.5Very low160 Ų160155.8 Ų155.884%0.83880%0.801SS**PPolyproline II helixtrans-85.8149.9-171.7-64.4118.8000111.6
137S34.7Very low41.7Very low108 Ų108156.1 Ų156.176%0.75581%0.807SS**PPolyproline II helixtrans-75.6150.9164.4-52.70000111.6
138P48.7Very low41.5Very low128 Ų128154.9 Ų154.983%0.83181%0.808SS**PPolyproline II helixtrans-94.2141.3147.30.819.2000110.3
139T38.2Very low41.4Very low109 Ų109154.4 Ų154.467%0.66981%0.806SS**  trans-104.9175.1172.2-510000109.6
140Y36.5Very low41.6Very low221 Ų221153.3 Ų153.387%0.86781%0.805SS**  trans85145.6173.2-52.9-78.7000115.5
141A39Very low41.8Very low95 Ų95148.2 Ų148.279%0.78580%0.795SS**  cis-140.5148.89.300000113
142A39.5Very low42.1Very low101 Ų101145 Ų14584%0.83579%0.792SS**  trans-99.3133.3161.900000109.4
143R45.2Very low42.8Very low251 Ų251146.4 Ų146.495%0.94779%0.791SS**  trans-83.1139.8178.6-78.9177.7167178.7-4.4111.5
144T48.3Very low43.2Very low128 Ų128143.2 Ų143.279%0.78579%0.792SS**  trans-135.5132.415451.40000108.6
145P52.7Low43.6Very low118 Ų118146.5 Ų146.577%0.76680%0.802SS**  trans-97.6125.5170.833.9-26.7000111
146Y39.7Very low43.9Very low230 Ų230143.2 Ų143.290%0.90279%0.791SS**  trans-117.2123.7152.9-99.1-84.1000107
147V49.3Very low44.1Very low138 Ų138142.6 Ų142.684%0.83679%0.789SS**  trans-109.6132.5170.9175.40000107.6
148L40.6Very low44.7Very low149 Ų149146.4 Ų146.478%0.7880%0.795SS**  trans-101.1165.6-178.8-89.1165000111.5
149Q41.9Very low44.5Very low159 Ų159148.5 Ų148.574%0.74379%0.793SS**  trans78.5115146.6-88172.1-29.500120.8
150N47Very low44.6Very low136 Ų136154.6 Ų154.673%0.72781%0.805SS**  147.3144.9123.4-75.4-24.2000109.5
151N46.8Very low44.9Very low118 Ų118148.7 Ų148.763%0.63180%0.802SS**  cis-170.9157-20.3-108.4-9.7000106.7
152N47.4Very low44.9Very low135 Ų135149.1 Ų149.172%0.72281%0.806SS**  trans66.3135.7157.8-54.9-2000116.3
153D49Very low45.2Very low151 Ų151149 Ų14981%0.80781%0.805SS**  cis-165.5167.533-96.8-41.7000112.7
154A45.7Very low45.2Very low98 Ų98144.8 Ų144.881%0.8180%0.801SS**  trans6599.4153.100000122.1
155L44.9Very low45.2Very low166 Ų166142.5 Ų142.587%0.86980%0.803SS**  trans-73.9173.5144.5-91.3165.6000110.3
156P48.2Very low45.4Very low109 Ų109148.2 Ų148.271%0.70881%0.81SS**  cis-148.2173.830.543.8-23.5000120
157N43.3Very low46.6Very low147 Ų147142.7 Ų142.779%0.78680%0.804SS**  trans49119.8148.2-88.7-10.3000121.3
158E46.3Very low47.6Very low188 Ų188141.5 Ų141.588%0.87980%0.802SS**  -148.6155123.2-124.6172.7-158.300111.8
159Q44.3Very low49.7Very low171 Ų171135.6 Ų135.680%0.79978%0.778SS**  trans-91.9138-164.7-57.8162-58.700112.4
160Y41Very low51.8Low237 Ų237135.5 Ų135.593%0.92978%0.775SS**  trans-139.2149.6153.2-89.4-76.5000112.4
161A42.8Very low53.7Low97 Ų97134.1 Ų134.180%0.80277%0.767SS**  trans-83.8160.9-155.800000115.6
162A39.2Very low55.8Low105 Ų105133 Ų13387%0.86876%0.756SS**  trans-67.4138.4175.700000112.8
163A45.2Very low58Low97 Ų97130 Ų13080%0.80274%0.743SS**  trans-132.1127.9165.800000110G165A163-G165 PolarHBondContact O-N 2.9Å; A163-G165 VanDerWaalsContact O-N 3.13Å
164N45.8Very low60.1Low164 Ų164125.8 Ų125.888%0.87772%0.723SS**  trans-71.5103.4-173.3-73.8-51.2000112.5R166N164-R166 PolarHBondContact O-N 3.14Å
165G48.2Very low62.3Low80 Ų80128.3 Ų128.383%0.82572%0.715SS**  trans-73.681.6171.900000113.1A163 S167A163-G165 PolarHBondContact O-N 2.9Å; A163-G165 VanDerWaalsContact O-N 3.13Å; G165-S167 PolarHBondContact O-N 2.76Å
166R57.8Low64.5Low238 Ų238122.9 Ų122.990%0.89869%0.69SS**  trans-62.8117.4165.5-80.9-176.2174.3177.5-0.9109.2N164 S168N164-R166 PolarHBondContact O-N 3.14Å; R166-S168 PolarHBondContact O-N 3.43Å
167S63.4Low66.4Low113 Ų113124.3 Ų124.379%0.7970%0.703SS**  trans-68.4101.3175.946.90000111.2G165 G169G165-S167 PolarHBondContact O-N 2.76Å; S167-G169 VanDerWaalsContact C-N 3.29Å; S167-G169 PolarHBondContact O-N 3.29Å
168S71.7Confident68.8Low113 Ų113122.1 Ų122.179%0.7969%0.692SS**  trans-72.182.6172430000110.3R166 K170R166-S168 PolarHBondContact O-N 3.43Å; S168-K170 PolarHBondContact O-N 3.48Å; S168-K170 VanDerWaalsContact O-N 3.14Å
169G83.8Confident71.1Confident26 Ų26116 Ų11627%0.26868%0.678SS.*PPolyproline II helixtrans-54.2118.7172.300000110.7S167 L171S167-G169 VanDerWaalsContact C-N 3.29Å; S167-G169 PolarHBondContact O-N 3.29Å; G169-L171 PolarHBondContact O-N 3.42Å
170K85.7Confident73.4Confident156 Ų156112.4 Ų112.468%0.67866%0.662SS**PPolyproline II helixtrans-63.4132.3-178.5-70.3-177.4177.5-1790110.2S168 F172S168-K170 PolarHBondContact O-N 3.48Å; S168-K170 VanDerWaalsContact O-N 3.14Å; K170-F172 HydrophobicContact CB-CE2 3.89Å; K170-F172 HydrophobicContact CB-CZ 4.19Å
171L88.2Confident76.1Confident108 Ų108105.8 Ų105.857%0.56564%0.639SS**EExtended strand (participates in β ladder)trans-90.7124.4171.6-161.874000108.3G169 Y183 M184 R185G169-L171 PolarHBondContact O-N 3.42Å; L171-Y183 HydrophobicContact CD2-CD1 3.73Å; L171-Y183 HydrophobicContact CD2-CG 4.4Å; L171-Y183 HydrophobicContact CG-CD1 4.3Å; L171-M184 WeakPolarHBondContact CA-O 3.38Å; L171-R185 HydrophobicContact CD1-CB 4.04Å
172F90.3Very high78.5Confident93 Ų93106.7 Ų106.741%0.40862%0.623SS.*EExtended strand (participates in β ladder)trans-104.8136.5175.2-65.5-90.4000109.5K170 Y183 M184 M186K170-F172 HydrophobicContact CB-CE2 3.89Å; K170-F172 HydrophobicContact CB-CZ 4.19Å; F172-Y183 WeakPolarHBondContact O-CA 3.13Å; F172-M184 PolarHBondContact N-O 3.23Å; F172-M184 PolarHBondContact O-N 3Å; F172-M186 HydrophobicContact CD2-CE 4.16Å; F172-M186 HydrophobicContact CD2-CG 4.12Å; F172-M186 HydrophobicContact CD2-SD 4.27Å; F172-M186 HydrophobicContact CE2-CB 4.32Å; F172-M186 HydrophobicContact CE2-CE 4.42Å; F172-M186 HydrophobicContact CE2-CG 4.16Å; F172-M186 HydrophobicContact CE2-SD 4.05Å
173V93.2Very high81.1Confident74 Ų74108.9 Ų108.945%0.44861%0.61SS.*EExtended strand (participates in β ladder)trans-97.8116.7169.8-1720000107.9Q181 Y182 Y183V173-Q181 HydrophobicContact CG1-CB 4.16Å; V173-Y182 WeakPolarHBondContact CA-O 3.3Å; V173-Y183 HydrophobicContact CG1-CE1 4.47Å; V173-Y183 HydrophobicContact CG2-CD1 3.79Å; V173-Y183 HydrophobicContact CG2-CE1 3.59Å
174V92.9Very high83.3Confident62 Ų62108.4 Ų108.438%0.37659%0.592SS.*EExtended strand (participates in β ladder)trans-106.2122.2172.5172.40000108.7Q181 Y182 M184V174-Q181 WeakPolarHBondContact O-CA 3.25Å; V174-Y182 PolarHBondContact N-O 2.61Å; V174-Y182 PolarHBondContact O-N 2.84Å; V174-M184 HydrophobicContact CB-CE 4.15Å; V174-M184 HydrophobicContact CG2-CE 3.41Å; V174-M184 VanDerWaalsContact CG2-CE 3.41Å
175K91.9Very high85.3Confident151 Ų151108.7 Ų108.766%0.65758%0.58SS**EExtended strand (participates in β ladder)trans-93.9127.4173.2-58.6-167.7178.7-178.90109.1Q180 Q181K175-Q180 WeakPolarHBondContact CA-O 3.35Å; K175-Q181 HydrophobicContact CG-CG 4.1Å
176C90.8Very high86.9Confident51 Ų51110 Ų11035%0.34557%0.566SS.*  trans-88160.7174.2-68.30000110.9N178 G179 Q180 Y182C176-N178 WeakPolarHBondContact CB-OD1 3.2Å; C176-N178 PolarHBondContact O-N 2.99Å; C176-N178 VanDerWaalsContact O-N 3.15Å; C176-G179 PolarHBondContact O-N 2.91Å; C176-Q180 PolarHBondContact N-O 3.19Å; C176-Y182 HydrophobicContact CB-CE2 4.43Å; C176-Y182 VanDerWaalsContact SG-CE2 3.59Å
177S89.1Confident87.9Confident140 Ų140104.9 Ų104.998%0.97956%0.557SS**THydrogen-bonded Turntrans-62.6-18.6178.950.10000114.1G179S177-G179 VanDerWaalsContact C-N 3.27Å; S177-G179 PolarHBondContact O-N 2.82Å
178N93.9Very high87.6Confident101 Ų101104.1 Ų104.154%0.5456%0.558SS.*THydrogen-bonded Turntrans-84.38.1171.869.6-5000113.9C176 Q180C176-N178 WeakPolarHBondContact CB-OD1 3.2Å; C176-N178 PolarHBondContact O-N 2.99Å; C176-N178 VanDerWaalsContact O-N 3.15Å; N178-Q180 VanDerWaalsContact C-N 3.29Å; N178-Q180 PolarHBondContact ND2-OE1 3.13Å; N178-Q180 PolarHBondContact O-N 2.84Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.3Å; N178-Q180 WeakPolarHBondContact OD1-CG 3.04Å; N178-Q180 PolarHBondContact OD1-N 3.39Å; N178-Q180 VanDerWaalsContact OD1-N 3.11Å
179G94.3Very high87Confident58 Ų58106 Ų10660%0.59856%0.559SS**SBendtrans81.8-8.2179.800000115.7C176 S177C176-G179 PolarHBondContact O-N 2.91Å; S177-G179 VanDerWaalsContact C-N 3.27Å; S177-G179 PolarHBondContact O-N 2.82Å
180Q93Very high85.2Confident97 Ų97113.7 Ų113.745%0.45359%0.593SS.*  trans-69.1146.2177.9-66.2176.7-24.100111.6K175 C176 N178 Y182K175-Q180 WeakPolarHBondContact CA-O 3.35Å; C176-Q180 PolarHBondContact N-O 3.19Å; N178-Q180 VanDerWaalsContact C-N 3.29Å; N178-Q180 PolarHBondContact ND2-OE1 3.13Å; N178-Q180 PolarHBondContact O-N 2.84Å; N178-Q180 WeakPolarHBondContact OD1-CB 3.3Å; N178-Q180 WeakPolarHBondContact OD1-CG 3.04Å; N178-Q180 PolarHBondContact OD1-N 3.39Å; N178-Q180 VanDerWaalsContact OD1-N 3.11Å; Q180-Y182 HydrophobicContact CB-CD2 4.47Å; Q180-Y182 HydrophobicContact CB-CE2 3.71Å; Q180-Y182 PolarHBondContact OE1-OH 2.99Å
181Q96.1Very high83.2Confident98 Ų98109.3 Ų109.346%0.45859%0.592SS.*EExtended strand (participates in β ladder)trans-116.5128.7178.9-47.9-165.628.600110.1V173 V174 K175V173-Q181 HydrophobicContact CG1-CB 4.16Å; V174-Q181 WeakPolarHBondContact O-CA 3.25Å; K175-Q181 HydrophobicContact CG-CG 4.1Å
182Y94.5Very high81.2Confident116 Ų116113.8 Ų113.846%0.45561%0.607SS.*EExtended strand (participates in β ladder)trans-116.3132.1-179.1-67.9-92.7000110.4V173 V174 C176 Q180V173-Y182 WeakPolarHBondContact CA-O 3.3Å; V174-Y182 PolarHBondContact N-O 2.61Å; V174-Y182 PolarHBondContact O-N 2.84Å; C176-Y182 HydrophobicContact CB-CE2 4.43Å; C176-Y182 VanDerWaalsContact SG-CE2 3.59Å; Q180-Y182 HydrophobicContact CB-CD2 4.47Å; Q180-Y182 HydrophobicContact CB-CE2 3.71Å; Q180-Y182 PolarHBondContact OE1-OH 2.99Å
183Y93.5Very high78.7Confident151 Ų151117.9 Ų117.959%0.59263%0.632SS**EExtended strand (participates in β ladder)trans-98.7109.3177.7-63.5-90.2000109.9L171 F172 V173L171-Y183 HydrophobicContact CD2-CD1 3.73Å; L171-Y183 HydrophobicContact CD2-CG 4.4Å; L171-Y183 HydrophobicContact CG-CD1 4.3Å; F172-Y183 WeakPolarHBondContact O-CA 3.13Å; V173-Y183 HydrophobicContact CG1-CE1 4.47Å; V173-Y183 HydrophobicContact CG2-CD1 3.79Å; V173-Y183 HydrophobicContact CG2-CE1 3.59Å
184M90.8Very high76.4Confident86 Ų86124.2 Ų124.242%0.42465%0.647SS.*EExtended strand (participates in β ladder)trans-106.1126178.6-71.3-166.7-71.100111.4L171 F172 V174L171-M184 WeakPolarHBondContact CA-O 3.38Å; F172-M184 PolarHBondContact N-O 3.23Å; F172-M184 PolarHBondContact O-N 3Å; V174-M184 HydrophobicContact CB-CE 4.15Å; V174-M184 HydrophobicContact CG2-CE 3.41Å; V174-M184 VanDerWaalsContact CG2-CE 3.41Å
185R88.2Confident73.9Confident170 Ų170125.9 Ų125.964%0.64267%0.668SS**EExtended strand (participates in β ladder)trans-98.4106171.3-169.2-178.9-168.3-170.70.8109.3L171 N187L171-R185 HydrophobicContact CD1-CB 4.04Å; R185-N187 PolarHBondContact O-N 3.41Å
186M81.9Confident72.1Confident107 Ų107126.5 Ų126.553%0.52767%0.673SS.*  trans-85.2114.1175.6-63.1-169.9-16600110.2F172 A188F172-M186 HydrophobicContact CD2-CE 4.16Å; F172-M186 HydrophobicContact CD2-CG 4.12Å; F172-M186 HydrophobicContact CD2-SD 4.27Å; F172-M186 HydrophobicContact CE2-CB 4.32Å; F172-M186 HydrophobicContact CE2-CE 4.42Å; F172-M186 HydrophobicContact CE2-CG 4.16Å; F172-M186 HydrophobicContact CE2-SD 4.05Å; M186-A188 PolarHBondContact O-N 3.13Å
187N78.6Confident70.2Confident131 Ų131132.5 Ų132.570%0.70170%0.696SS**  trans-77.9101.7168.2-73.1-21000108.8R185 N189R185-N187 PolarHBondContact O-N 3.41Å; N187-N189 VanDerWaalsContact C-N 3.29Å; N187-N189 PolarHBondContact O-N 3.21Å
188A57.6Low68.5Low98 Ų98134 Ų13481%0.8169%0.692SS**  trans-73.679.5176.600000111.1M186M186-A188 PolarHBondContact O-N 3.13Å
189N58.5Low66.3Low152 Ų152137 Ų13781%0.81370%0.703SS**  trans-163.688.6162.7-98.2-26.7000111.2N187N187-N189 VanDerWaalsContact C-N 3.29Å; N187-N189 PolarHBondContact O-N 3.21Å
190L46.2Very low64.3Low187 Ų187139.7 Ų139.798%0.97971%0.712SS**  trans-128.869.1160.4-81.7174.6000108.7
191G43.8Very low62.4Low65 Ų65142.6 Ų142.667%0.6773%0.731SS**  trans-122111177.100000111.1
192K45.2Very low60.2Low202 Ų202146.9 Ų146.988%0.87875%0.751SS**  trans58.393.6165.8-56.7176.6-176.7175.20116.2R194K192-R194 PolarHBondContact O-N 3.14Å
193I39.3Very low57.7Low179 Ų179147 Ų14792%0.91877%0.766SS**  trans-73.6109.9144.3-60.5172.6000106.5
194R43.9Very low55.7Low207 Ų207145.8 Ų145.878%0.78177%0.774SS**  trans-112.4125.3156-112.4-168.6-176.1-168.31.8106.7K192 E196K192-R194 PolarHBondContact O-N 3.14Å; R194-E196 IonicContact NH1-OE1 3.84Å
195A41.1Very low53.7Low97 Ų97150.1 Ų150.180%0.80279%0.793SS**  trans-77.6121165.300000107.6
196E53.1Low51.5Low163 Ų163146.3 Ų146.376%0.76280%0.798SS**  trans-129.9122.7157.7-104.1160.4-14400106.8R194R194-E196 IonicContact NH1-OE1 3.84Å
197E51.7Low49.9Very low178 Ų178149 Ų14983%0.83281%0.814SS**  trans-92.1114.2-168.7-179.1177.1179.600107.7
198L52.7Low48.2Very low170 Ų170150.4 Ų150.489%0.8982%0.82SS**  trans-113.7107.8178.8-114.6163.8000109.3
199Q47.5Very low47.7Very low165 Ų165152 Ų15277%0.77182%0.822SS**  trans-73.9126.6172.1-66.1168.8-16.300109.5
200S53.1Low47Very low115 Ų115148.6 Ų148.680%0.80482%0.824SS**  trans-153.3113153.265.20000109.5
201D52.5Low46.7Very low158 Ų158146.1 Ų146.185%0.84581%0.807SS**  trans-74.3134.3174.8-56.8-71.6000111.5
202E50.8Low46.7Very low187 Ų187153.8 Ų153.887%0.87482%0.816SS**  trans-177.7126140.5-93.4-110.211500109.5
203P42.5Very low46.7Very low118 Ų118150.8 Ų150.877%0.76680%0.804SS**  trans-113.3133.5-17637.3-28.3000114.2
204V50.4Low46.5Very low126 Ų126147 Ų14776%0.76480%0.8SS**  trans-140.4118.4162.9-178.20000111.8
205Q48.4Very low46.5Very low178 Ų178142.7 Ų142.783%0.83280%0.802SS**  trans31.4109.1151.2-62.7171.1-18.900118.5
206A42.5Very low46.3Very low89 Ų89144.1 Ų144.174%0.73680%0.801SS**  86.6106.968.800000114.3
207D49.7Very low46.1Very low163 Ų163143.8 Ų143.887%0.87280%0.804SS**  trans-169.6123.9133.7-101.4-22.2000111
208I40.8Very low45.5Very low161 Ų161147 Ų14783%0.82681%0.809SS**  trans-146.2131.5171.1-49174.7000107
209P47.5Very low45.3Very low131 Ų131147.9 Ų147.985%0.85181%0.808SS**  -147.2140.6123.932.5-15.7000114.1
210G44.7Very low45.2Very low82 Ų82149.7 Ų149.785%0.84582%0.817SS**  trans168.748.9173.300000118
211H39.9Very low44.8Very low134 Ų134147.7 Ų147.762%0.6281%0.814SS**  trans-104.2126.4176.9157.1-65.7000111.4
212W43.6Very low44.6Very low227 Ų227149.1 Ų149.186%0.8682%0.816SS**  trans-152.1102.5147.6-76.698000108.3
213Q45Very low44.7Very low138 Ų138145.9 Ų145.965%0.64581%0.811SS**  77.6115.984.9-135.9177.129.900114.3
214A36.1Very low45Very low100 Ų100148 Ų14883%0.82682%0.816SS**  trans-80.1147.6179.200000111.9
215S44Very low45Very low117 Ų117147.4 Ų147.482%0.81882%0.815SS**  trans-110.7121.7172.3-64.70000110.4
216T37Very low44.7Very low126 Ų126147.6 Ų147.677%0.77382%0.816SS**  trans-104.9109.5165.449.80000108.8
217N48Very low44.7Very low156 Ų156150.5 Ų150.583%0.83482%0.818SS**  trans-105.1123.4163.9-84.7-3.4000109.2
218W38.5Very low44.4Very low246 Ų246148.2 Ų148.293%0.93281%0.814SS**  trans-91.3126.1162-79.762000107.5
219E48.9Very low44.5Very low189 Ų189149.3 Ų149.388%0.88381%0.812SS**  trans-129.9150.3157.9-78.6-166.9135.300110.1
220Q44.6Very low44.3Very low203 Ų203151 Ų15195%0.94981%0.813SS**  trans-88.4147.9-165.7-62162.2-58.300111.2
221G45Very low44.5Very low73 Ų73152 Ų15275%0.75381%0.805SS**  trans-164.1100.717300000112.1
222E49.7Very low44.7Very low187 Ų187151.4 Ų151.487%0.87482%0.816SS**  trans25.8129.5153.8-60.2-93.6102.600120.3
223P51.4Low44.9Very low120 Ų120151.3 Ų151.378%0.77982%0.817SS**  trans-90.5143.8163.136.1-29.8000112
224D50.4Low45Very low163 Ų163148.2 Ų148.287%0.87282%0.822SS**  trans-129.8152.8166.5-125.6-5.6000109.8
225P48.6Very low45.4Very low112 Ų112147.1 Ų147.173%0.72782%0.821SS**  trans-91.6168.1-146.734.9-39.7000117
226E43.5Very low45.7Very low183 Ų183151.2 Ų151.286%0.85582%0.824SS**  trans-58128.3178.1-59.2178133.800113.7
227L41.2Very low46.6Very low150 Ų150150.9 Ų150.979%0.78582%0.824SS**  trans-105.591.8164.2-96.9165.2000110.1F229L227-F229 HydrophobicContact CD2-CE2 4.25Å; L227-F229 PolarHBondContact O-N 3.36Å
228C43Very low46.3Very low115 Ų115150.3 Ų150.378%0.77783%0.826SS**  trans-80.9111.7170.4-72.40000111.2
229F44.4Very low46.9Very low183 Ų183144 Ų14480%0.80382%0.82SS**  trans-95.1124.8162-77.4-90.6000110.2L227L227-F229 HydrophobicContact CD2-CE2 4.25Å; L227-F229 PolarHBondContact O-N 3.36Å
230L42.3Very low46.8Very low166 Ų166141.4 Ų141.487%0.86982%0.817SS**  trans-127.2140.4162.2-84.2172.4000109.5
231P49.1Very low47.5Very low104 Ų104137.6 Ų137.668%0.67581%0.81SS**  trans-80.7147.3-170.932-35.3000113.3
232S43.4Very low47.7Very low122 Ų122142.4 Ų142.485%0.85382%0.818SS**  trans-69.8127173.5-178.20000111.7
233Y48.4Very low47.7Very low224 Ų224142.1 Ų142.188%0.87882%0.82SS**  trans-100.7110.8165.9-91.8-88.9000109.9
234G46.5Very low47.7Very low73 Ų73145.6 Ų145.675%0.75383%0.825SS**PPolyproline II helixtrans-82.7121.6169.300000111.1
235G45.3Very low47.5Very low77 Ų77145.9 Ų145.979%0.79483%0.825SS**PPolyproline II helixtrans-96.9134.2170.200000111.6
236F50.8Low47.7Very low204 Ų204148.2 Ų148.290%0.89583%0.831SS**PPolyproline II helixtrans-103144.6164.4-89.4-89.6000110.1
237P56.4Low47.7Very low119 Ų119143.4 Ų143.477%0.77382%0.823SS**PPolyproline II helixtrans-81.2140.5-173.232.3-34.7000112.6
238T41.4Very low48Very low143 Ų143144.3 Ų144.388%0.87782%0.823SS**PPolyproline II helixtrans-76125.7168.647.40000111.1
239S49.8Very low48.3Very low113 Ų113144.7 Ų144.779%0.7982%0.818SS**  trans-114.3120.2166.859.10000110.8
240T47.2Very low48.6Very low135 Ų135142.6 Ų142.683%0.82882%0.815SS**  trans-122.3146.3163.245.80000109.2
241P58.6Low48.8Very low124 Ų124142.8 Ų142.881%0.80582%0.817SS**  trans-132.6124.1132.432.7-21.2000111.1
242N50.3Low48.8Very low173 Ų173141.7 Ų141.793%0.92582%0.824SS**  trans-71.2127.6164.6-95.2-31.2000108.9
243M50.2Low48.9Very low182 Ų182143.8 Ų143.890%0.89782%0.824SS**  trans-109.2140.9171-155.9170.9-179.700109.6
244Q51.3Low48.8Very low193 Ų193139.7 Ų139.790%0.90282%0.822SS**  trans-69.2135.1-168.7-66.3164.9-62.700112.4
245I46.1Very low48.6Very low168 Ų168144.8 Ų144.886%0.86283%0.827SS**  trans-87.8128.5160.5-63.3170.9000107.3
246N52.6Low48.7Very low161 Ų161149 Ų14986%0.86183%0.826SS**  trans-119.7153169.5-147.20.1000109.4
247A43Very low48.3Very low83 Ų83145 Ų14569%0.68682%0.818SS**  trans-93.5174.7-153.300000116.1
248Q47.2Very low47.7Very low169 Ų169148.3 Ų148.379%0.7982%0.816SS**  trans110.1116.9149.2-65.9-173.3-2200120.2
249N50.3Low47.6Very low122 Ų122147.9 Ų147.965%0.65281%0.813SS**  trans90.4112.6132.4-64.8-1.6000122.2
250N51.2Low47.5Very low139 Ų139150 Ų15074%0.74382%0.815SS**  79.898.7127.3-60.6-6000121
251N45.9Very low47.3Very low171 Ų171151.7 Ų151.791%0.91481%0.814SS**  trans23.8114.8131-61.41.1000119
252G49.2Very low46.5Very low80 Ų80153.2 Ų153.283%0.82582%0.815SS**  trans-157.6123.3159.900000110.1
253I45Very low46.6Very low166 Ų166152.9 Ų152.985%0.85181%0.813SS**  trans-88.9135-175.9-63.2154.5000110
254T45.8Very low46.5Very low138 Ų138152.8 Ų152.885%0.84781%0.81SS**  trans-164.8143.5136.920.10000111.5
255E44Very low46.5Very low181 Ų181152.5 Ų152.585%0.84681%0.809SS**  trans-77.3151.2172.7-56.1169.1125.400111
256E47.1Very low47.3Very low165 Ų165150.1 Ų150.177%0.77180%0.804SS**  trans-156.2134.6139.2-123.5173.7-146.400111.2
257V41.5Very low47.2Very low120 Ų120147.7 Ų147.773%0.72780%0.797SS**  trans-101.2128.6-177.5171.40000109.3
258Y44.9Very low47.4Very low188 Ų188151.9 Ų151.974%0.73781%0.806SS**  trans-129.8101.8165.4-80.8-83.7000110.9
259T38.8Very low47.2Very low134 Ų134146.5 Ų146.582%0.82280%0.796SS**  trans-92.7129.5155.839.80000108.3
260L47.3Very low47.3Very low159 Ų159152.4 Ų152.483%0.83281%0.811SS**  trans-128.5149.4178.5-131156.3000110
261E43.9Very low47.1Very low170 Ų170151.2 Ų151.279%0.79481%0.813SS**  trans-86.3164.5-145.8-65.6169.7102.400116.8
262N42.1Very low47.1Very low155 Ų155148.3 Ų148.383%0.82980%0.804SS**  trans-26.3137160.1-62.7-69000116.3
263L50.4Low47.1Very low167 Ų167149.6 Ų149.687%0.87480%0.8SS**  trans-121.9144.6151.5-91.6168.3000110.9
264Q49Very low47Very low179 Ų179149 Ų14984%0.83680%0.799SS**PPolyproline II helixtrans-82.9152.6-158.4-64.4152.3-62.700114.1
265Q51.3Low47.1Very low188 Ų188150.9 Ų150.988%0.87980%0.803SS**PPolyproline II helixtrans-75.3146.7161.8-64.8179.3-19.700111.3
266P63.6Low47.1Very low118 Ų118147.5 Ų147.577%0.76680%0.799SS**PPolyproline II helixtrans-96.3158.2155.535.5-29.8000112
267P50Low47.4Very low110 Ų110150.5 Ų150.571%0.71481%0.805SS**  trans-107.4155.3-160.239.7-34.8000116.6
268I47.7Very low47.6Very low170 Ų170148.3 Ų148.387%0.87281%0.807SS**  trans50.1115.8135.2-56.7166.9000119.3
269G42.2Very low48Very low57 Ų57145.3 Ų145.359%0.58881%0.81SS**  109.1106.8116.800000119.2
270Y52.9Low48.9Very low246 Ų246145 Ų14597%0.96581%0.81SS**  trans-136.9138.1149.5-85.2-80.7000110.5
271S45.9Very low49.2Very low113 Ų113147.5 Ų147.579%0.7982%0.815SS**  trans-95.6146.8-175-174.60000111.7
272P46.6Very low49.3Very low111 Ų111147.9 Ų147.972%0.72182%0.817SS**  trans-90.3144178.635.4-33.4000112.6
273S49.9Very low49.5Very low106 Ų106149.5 Ų149.574%0.74182%0.819SS**  trans-165.3133.1160.8-85.20000113.8
274N42Very low49.6Very low154 Ų154144.7 Ų144.782%0.82481%0.81SS**  trans62.8107.4149-56-25.8000120.3
275L48.7Very low49.5Very low178 Ų178147 Ų14793%0.93281%0.812SS**  trans-148.7120136.6-107.9162.8000109.2
276S44.2Very low49.1Very low109 Ų109146.7 Ų146.776%0.76281%0.811SS**  trans-142.5115.1-178.3175.20000110.1
277Y52.2Low48.7Very low229 Ų229147 Ų14790%0.89881%0.811SS**  trans-169.9109.5167.6-83.8-78.1000103
278G47.4Very low48.6Very low74 Ų74151.6 Ų151.676%0.76382%0.82SS**  96.5153.75600000109.6
279P53.2Low48.5Very low125 Ų125152.1 Ų152.181%0.81282%0.819SS**  cis-122.2-178.4-18.141.6-26.1000112.7
280P56.6Low48.9Very low127 Ų127153.9 Ų153.983%0.82582%0.822SS**  trans-87.6156.917934.7-35000114.6
281F53.2Low48.5Very low212 Ų212153.1 Ų153.193%0.9382%0.82SS**  trans-88.7136.8176.9-141.6-96.8000110.9
282Q46.6Very low48.7Very low177 Ų177151.5 Ų151.583%0.82782%0.821SS**  trans-140.8158179.8-142.3-179.115.200111
283Q45.4Very low48.5Very low190 Ų190152.1 Ų152.189%0.88882%0.822SS**  trans73.5121.9177.4-65.5-176.5-29.800118.1
284G54Low48.6Very low66 Ų66154.6 Ų154.668%0.6883%0.827SS**  trans-164.684.3173.100000111.5
285Y45.5Very low48.7Very low226 Ų226150.7 Ų150.789%0.88682%0.823SS**  trans61.2110.1159.5-69.5-86.4000121
286E43.9Very low48.4Very low182 Ų182149.8 Ų149.885%0.8582%0.818SS**  trans-68.7136.8148.5-56.1171.8149.900110.1
287T55.5Low48.6Very low126 Ų126152.7 Ų152.777%0.77382%0.82SS**  trans172.3116135.622.80000110.7
288F47.3Very low48.4Very low206 Ų206146.6 Ų146.690%0.90481%0.811SS**  -177.3113.1124-114.7-82.4000109.3
289Q45.3Very low48.8Very low180 Ų180155.6 Ų155.684%0.84182%0.822SS**  trans-87.2142.8164.7-67.2175.6-10.700108.7
290S49.9Very low48.7Very low94 Ų94153 Ų15366%0.65782%0.818SS**  151.7148.9117.559.90000115
291Y45.4Very low48.6Very low231 Ų231152.4 Ų152.491%0.90682%0.817SS**  trans74.1129.9166.7-58.5-72.6000120.4
292G50.4Low48.4Very low79 Ų79148.6 Ų148.681%0.81481%0.805SS**  trans125.967.4161.700000115.2
293T42.4Very low49.2Very low123 Ų123144.9 Ų144.976%0.75580%0.795SS**  trans-90167.7166.959.20000111.6
294D50.8Low49.7Very low159 Ų159144.8 Ų144.885%0.8579%0.794SS**  trans98.3109.7159.9-49.8-7.3000117
295G44Very low49.7Very low71 Ų71149 Ų14973%0.73280%0.801SS**  trans145.699.4160.400000116.7
296L43.2Very low50Low159 Ų159145.3 Ų145.383%0.83279%0.792SS**  trans61.592.8158.8-65.4149.4000116.4
297E48.3Very low50.4Low170 Ų170143.9 Ų143.979%0.79479%0.789SS**  74.5102.582.3-71.5-167.1154.500115.9
298S48.1Very low50.1Low102 Ų102146.7 Ų146.771%0.71379%0.794SS**  trans45.994.3146.365.90000119.8
299W56.7Low50.2Low262 Ų262144.6 Ų144.699%0.99279%0.792SS**  -129.3120128.4-83.481000108.5
300G50.3Low50.1Low71 Ų71143.9 Ų143.973%0.73279%0.793SS**  trans-71139.2-178.400000111.6I302G300-I302 PolarHBondContact O-N 3.29Å
301S53.9Low49.8Very low114 Ų114147.9 Ų147.980%0.79780%0.801SS**  trans-63.5113.3172.450.70000111
302I49.4Very low49.5Very low132 Ų132142.4 Ų142.468%0.67780%0.797SS**  trans-71.1125.3160.9-66.1174.7000107.2G300 E306G300-I302 PolarHBondContact O-N 3.29Å; I302-E306 HydrophobicContact CG2-CB 4.43Å; I302-E306 HydrophobicContact CG2-CG 4.41Å; I302-E306 VanDerWaalsContact CG2-OE2 3.31Å; I302-E306 WeakPolarHBondContact CG2-OE2 3.12Å
303T63.6Low49Very low100 Ų100144.2 Ų144.261%0.61380%0.797SS**  trans-79156.3176.948.90000110.8N305T303-N305 PolarHBondContact O-N 3.42Å
304E55.7Low48.9Very low188 Ų188150.4 Ų150.488%0.87981%0.806SS**G310 helixtrans-63.76.9-174.4-66178122.700115.7
305N53.9Low48.4Very low154 Ų154148.2 Ų148.282%0.82480%0.804SS**G310 helixtrans-93.73-177.8-101.210.8000115.4T303 L307T303-N305 PolarHBondContact O-N 3.42Å; N305-L307 VanDerWaalsContact C-N 3.31Å
306E51.8Low48.3Very low148 Ų148151.7 Ų151.769%0.69281%0.805SS**G310 helixtrans-91.112.6170.6-67.5-165.5133.500113.4I302 E308I302-E306 HydrophobicContact CG2-CB 4.43Å; I302-E306 HydrophobicContact CG2-CG 4.41Å; I302-E306 VanDerWaalsContact CG2-OE2 3.31Å; I302-E306 WeakPolarHBondContact CG2-OE2 3.12Å; E306-E308 PolarHBondContact O-N 2.93Å
307L51.6Low48.1Very low153 Ų153150.9 Ų150.980%0.80180%0.801SS**THydrogen-bonded Turntrans-80.7-3.6-172.5-143.583.4000115.8N305N305-L307 VanDerWaalsContact C-N 3.31Å
308E50.3Low47.7Very low185 Ų185148.7 Ų148.786%0.86481%0.805SS**THydrogen-bonded Turntrans-107.5-1.6-169.5-67.9-163.5143.600116.5E306E306-E308 PolarHBondContact O-N 2.93Å
309N48.4Very low47.5Very low161 Ų161151.6 Ų151.686%0.86181%0.809SS**SBendtrans-106.916.5-173.6-94.4-37.4000116.6
310L44.2Very low46.8Very low166 Ų166146.5 Ų146.587%0.86980%0.801SS**SBendtrans-126.134.6175.8-83.5169.9000114.3
311H44.3Very low46.2Very low177 Ų177152.4 Ų152.482%0.81981%0.809SS**  trans-136.166.3171.8-84.9-77.2000113.3
312S39.3Very low45.5Very low117 Ų117151.8 Ų151.882%0.81881%0.811SS**  trans-162.5154158.2-94.60000113.3
313S39.9Very low45Very low116 Ų116152 Ų15281%0.81182%0.818SS**  trans69.881.1-179.973.50000117.4
314R39Very low43.8Very low253 Ų253158.4 Ų158.496%0.95583%0.833SS**  -145.295.4125.2-112.3174-168.8-156.90.5109.5
315S41Very low43Very low114 Ų114154 Ų15480%0.79783%0.828SS**  trans-65.3152.8174.3-174.70000110.9
316L42.9Very low42.2Very low144 Ų144152.4 Ų152.475%0.75483%0.83SS**  trans-62.7174.4156.9-99.171.8000111.2
317D38.8Very low41.4Very low141 Ų141155.9 Ų155.975%0.75484%0.838SS**  trans83.882.3165.6-54.8-26.4000117.9
318S39.9Very low40.9Very low125 Ų125158.7 Ų158.787%0.87484%0.839SS**  trans-153.593.5145.4-173.70000109.5
319M42.1Very low40.3Very low163 Ų163156.8 Ų156.880%0.80384%0.835SS**  trans-87.2129.8168.9-58.4-179.9-167.900109.5
320N42.8Very low40Very low155 Ų155156 Ų15683%0.82983%0.83SS**  trans163.2162.5130.9-86.6-38.7000112.5
321E37.6Very low40Very low194 Ų194151.7 Ų151.791%0.90783%0.825SS**SBendtrans66.872.2170.2-58.7-162.9136.900118.8
322A39.7Very low39.8Very low101 Ų101149.6 Ų149.684%0.83582%0.82SS**  trans-164.747.414400000113.1
323V38Very low39.8Very low136 Ų136150.7 Ų150.782%0.82482%0.817SS**  trans-134.588.4174.8-177.20000110.1
324Y39.1Very low39.5Very low236 Ų236151.3 Ų151.393%0.92582%0.816SS**  trans-169.3153152.9-113.9-77.4000109.9
325A38.2Very low39.6Very low94 Ų94147.5 Ų147.578%0.77781%0.806SS**  trans73.478.5170.700000119.3
326S38.3Very low39.2Very low122 Ų122149.3 Ų149.385%0.85381%0.806SS**  -16786.2121.757.40000111.1
327Y34.5Very low38.9Very low220 Ų220148 Ų14886%0.86381%0.807SS**  trans-120.7159.7163.2-118.4-96.2000107.5
328Y40.1Very low39.1Very low213 Ų213148.1 Ų148.184%0.83581%0.808SS**  trans83.394.2-173.5-58-76.7000116.7
329D39.1Very low38.8Very low145 Ų145149.5 Ų149.578%0.77581%0.812SS**  -157.3107.3108.5-109.2-4.4000107.5
330L41.7Very low38.4Very low145 Ų145145.5 Ų145.576%0.75981%0.805SS**  82.3126.190.4-80-173.8000113.7
331G44.4Very low38.2Very low74 Ų74146.9 Ų146.976%0.76381%0.806SS**  trans16151.3-177.600000114.1
332D39.6Very low38.2Very low133 Ų133144.2 Ų144.271%0.71180%0.803SS**  trans-56.8138.5-177.8-61.5-74.6000113.8
333N38.5Very low38.2Very low140 Ų140148.5 Ų148.575%0.74981%0.806SS**  trans-158.370.2151.7-101.3-58.7000110.2F335N333-F335 PolarHBondContact O-N 3.14Å
334V34.4Very low38.3Very low130 Ų130149.6 Ų149.679%0.78880%0.802SS**  trans-76.395.8162.61770000107.7
335F40.4Very low38.3Very low172 Ų172147.5 Ų147.575%0.75480%0.797SS**  trans-93.7110.9168-104.7-85.5000110.9N333 C337N333-F335 PolarHBondContact O-N 3.14Å; F335-C337 PolarHBondContact O-N 3.24Å
336L33.3Very low38.4Very low153 Ų153149.8 Ų149.880%0.80180%0.802SS**  trans-60.7121.1165.8-69152.9000109.7
337C37.5Very low38.5Very low115 Ų115147.9 Ų147.978%0.77779%0.794SS**  trans-137.192.2161.8-84.80000110.9F335F335-C337 PolarHBondContact O-N 3.24Å
338N41Very low38.8Very low145 Ų145146 Ų14678%0.77579%0.792SS**  trans3694.7146.2-61.5-5.2000118.3A340N338-A340 HydrophobicContact CB-CB 4.34Å; N338-A340 PolarHBondContact O-N 3.29Å
339T34.2Very low39Very low154 Ų154144.2 Ų144.295%0.94580%0.795SS**SBendtrans-67.377.1149.549.60000110
340A34.8Very low39.3Very low79 Ų79146.6 Ų146.665%0.65380%0.802SS**  trans-151.435.6-179.300000113N338N338-A340 HydrophobicContact CB-CB 4.34Å; N338-A340 PolarHBondContact O-N 3.29Å
341E38.3Very low39.4Very low184 Ų184144.1 Ų144.186%0.8680%0.803SS**SBendtrans-160.138.1176.5-121.3168.9-143.500113
342V37.8Very low39.5Very low138 Ų138145.6 Ų145.684%0.83681%0.807SS**SBendtrans-128.532.7178.1-160.90000112.1
343E39.2Very low39.6Very low191 Ų191143.9 Ų143.989%0.89381%0.812SS**SBendtrans-120.1-3.6170.7-68.6-169.2137.900113.4
344E39.1Very low40Very low159 Ų159147 Ų14774%0.74382%0.822SS**SBendtrans-115.245.9-170.6-153.5-162151.300114.4
345K40Very low40.8Very low191 Ų191144.7 Ų144.783%0.8382%0.816SS**SBendtrans-158.37.7163.1-108.8129.2-155.7156.10117.5
346T40.3Very low41.5Very low143 Ų143144.5 Ų144.588%0.87782%0.823SS**SBendtrans-110.233.6178.3-31.80000112.2
347A40.2Very low41.7Very low82 Ų82140.9 Ų140.968%0.67882%0.823SS**  trans-119.614-174.600000114.2
348H41.9Very low42.4Very low180 Ų180145.5 Ų145.583%0.83383%0.83SS**SBendtrans-121.812.7-168.5-116.3-64000116.3
349I44Very low42.6Very low176 Ų176146.5 Ų146.590%0.90383%0.83SS**SBendtrans-117-1.6176.7-64.2179.7000112.2
350Q44.6Very low43.3Very low194 Ų194147 Ų14791%0.90782%0.821SS**SBendtrans-125.445.7-174.4-160.5161-13.400112.8
351A43.6Very low43.9Very low94 Ų94151 Ų15178%0.77783%0.831SS**SBendtrans-146.322.4179.900000113.9
352A46.1Very low44.6Very low104 Ų104151 Ų15186%0.8683%0.831SS**SBendtrans-139.220.4-174.800000114.1
353A43.3Very low44.8Very low98 Ų98150.3 Ų150.381%0.8183%0.83SS**  trans-124.313-177.700000113.6
354E46.3Very low45.2Very low204 Ų204146.6 Ų146.695%0.95383%0.825SS**  trans-113.855.7178.5-65.8-172.8168.500111.1
355A51.1Low45.1Very low82 Ų82145.6 Ų145.668%0.67883%0.829SS**SBendtrans-143.4146163.900000108.2
356D54.9Low45.5Very low168 Ų168141.7 Ų141.790%0.89883%0.826SS**SBendtrans61.874.6-179-56.5-25000115.1
357G38.6Very low45.3Very low77 Ų77146.7 Ų146.779%0.79483%0.829SS**  trans-70.4147.4175.700000113.8
358F50.6Low45.4Very low213 Ų213148.4 Ų148.493%0.93484%0.836SS**  trans-135.7142.4158.9-126.5-94.4000110.1
359Q45.4Very low45.4Very low166 Ų166148.9 Ų148.978%0.77684%0.836SS**  trans-86.6167.2-170.6-64.2179.5-15.600112.9
360H48.6Very low45.6Very low164 Ų164149.8 Ų149.876%0.75984%0.838SS**  trans67.7102.2158.3-87.3-77.8000118.1
361L47.8Very low45.5Very low163 Ų163147.4 Ų147.485%0.85383%0.832SS**  -175.814291.4-90.2163.8000110.4
362Q53.1Low45.4Very low184 Ų184151.8 Ų151.886%0.8684%0.836SS**PPolyproline II helixtrans-100.9139.8-179.5-65.6-129.1-43.700111.7
363P43Very low45.2Very low124 Ų124151 Ų15181%0.80583%0.83SS**PPolyproline II helixtrans-81.9117165.131.8-29.2000109.9T365P363-T365 PolarHBondContact O-N 3.47Å
364S46.8Very low45.5Very low113 Ų113155 Ų15579%0.7984%0.837SS**PPolyproline II helixtrans-76.4119.1178.653.60000112
365T37.7Very low45.4Very low137 Ų137151.8 Ų151.884%0.8483%0.831SS**PPolyproline II helixtrans-79.3122.616550.20000110.7P363P363-T365 PolarHBondContact O-N 3.47Å
366S47.6Very low45Very low109 Ų109151.5 Ų151.576%0.76284%0.836SS**  trans-121.6103.7166.952.20000111.5
367W35.6Very low44.8Very low248 Ų248149.1 Ų149.194%0.93983%0.83SS**  trans-87123.9158.2-84.439.2000108.1
368S43Very low45Very low118 Ų118150.4 Ų150.483%0.82583%0.827SS**  trans-158.6117.5164.4-830000112.6
369K41.2Very low44.6Very low191 Ų191146.9 Ų146.983%0.8382%0.817SS**  trans-12.9135157.9-62.5170.3170.7-1770117.2
370M48.9Very low44.5Very low194 Ų194148.9 Ų148.996%0.95682%0.817SS**  trans-137.7122.9132.1-75.6-164.617200109.2
371D42.4Very low44.4Very low144 Ų144147.9 Ų147.977%0.7782%0.818SS**  trans-106161.2170.5-93.3-53.4000109.7
372E41.5Very low44.2Very low186 Ų186144.7 Ų144.787%0.86981%0.808SS**  trans74.1132.3155.6-79.3-168.9130.600123.2
373A41.2Very low43.7Very low89 Ų89142.4 Ų142.474%0.73680%0.802SS**  trans71.9108.3141.100000120.3
374L49.3Very low43.8Very low181 Ų181143.5 Ų143.595%0.94880%0.8SS**  -150.6131.3122.2-106.8167.9000110.9
375V44.9Very low43.7Very low137 Ų137145.5 Ų145.583%0.8380%0.801SS**  trans-106.8144.1-175.3168.80000110.1
376G42.1Very low44.1Very low76 Ų76143.9 Ų143.978%0.78480%0.795SS**  trans-175.7108170.600000114.4
377P50.8Low44Very low117 Ų117144.3 Ų144.376%0.7680%0.795SS**  trans-114.9-175.2-175.841.2-33.5000115
378S42.8Very low45Very low105 Ų105141.8 Ų141.873%0.73480%0.796SS**  trans84.5145.5164.1-123.70000115.9
379L42.8Very low44.9Very low139 Ų139140.4 Ų140.473%0.72879%0.792SS**  cis-145.8140.617.9-82.1163.2000114.4
380R43.4Very low45.3Very low207 Ų207139.4 Ų139.478%0.78180%0.796SS**  27.7134.2129.8-55.5-177.5-179.9-137.6-0.5124.2
381N45.8Very low44.8Very low144 Ų144138.5 Ų138.577%0.7779%0.789SS**  177.2123.1107.6-85.5-17.1000108.8
382C43.5Very low45.2Very low96 Ų96139.8 Ų139.865%0.64979%0.794SS**  68.713280.4-690000113.7
383D42.7Very low45.2Very low136 Ų136137.4 Ų137.473%0.72779%0.786SS**  cis-163.6171.8-1.9-91.2-34.8000110.9
384L46Very low45.2Very low146 Ų146138.6 Ų138.676%0.76479%0.788SS**  trans130103.8137-64178.4000118.6
385L44.6Very low45.1Very low156 Ų156139 Ų13982%0.81779%0.785SS**  trans58.9146.8130.8-55.4173.3000121.5
386S45.6Very low45.1Very low102 Ų102140 Ų14071%0.71378%0.784SS**  cis-173.7145.2-23.5-165.40000108.4
387P46.7Very low45.6Very low119 Ų119142.4 Ų142.477%0.77379%0.786SS**  trans-102.6166.5176.338-32.5000113.6
388M56.1Low45.3Very low195 Ų195141.5 Ų141.596%0.96178%0.782SS**  trans-135.7137.9163.8-86.8-164.3154.500111.8
389A40.2Very low45.3Very low89 Ų89142.9 Ų142.974%0.73679%0.786SS**  trans-116.2166.7170.100000109.4
390N49.7Very low45.6Very low170 Ų170140.6 Ų140.691%0.90978%0.782SS**  trans-161.9132153.5-96.4-28.2000111.1
391E39.1Very low45.8Very low174 Ų174140.1 Ų140.181%0.81379%0.789SS**  trans-88.9151.4169.4-57.6167.6111.200110.5
392I51.5Low46.1Very low172 Ų172136.9 Ų136.988%0.88279%0.789SS**  trans-140.9142.4151.2-62.5-172000108.8
393I40Very low46.3Very low136 Ų136139.8 Ų139.870%0.69780%0.798SS**  trans-111.2172.5-170.5-53.8171.2000110.1
394C41.7Very low46.8Very low114 Ų114138 Ų13877%0.7779%0.794SS**  trans90.1145.9166.9-49.70000114.6
395E47.6Very low46.8Very low188 Ų188142 Ų14288%0.87980%0.8SS**  cis-142168.417.5-70.3179.415200113.5
396I45.3Very low46.8Very low159 Ų159137.9 Ų137.982%0.81579%0.789SS**  trans-115.9145.4168.6-63166.7000108.9
397P50.9Low46.7Very low127 Ų127142.7 Ų142.783%0.82579%0.793SS**  trans-126.3167.9141.832.9-20.1000113.7
398S44.5Very low46.4Very low97 Ų97144.3 Ų144.368%0.67879%0.792SS**  trans-128.4-167.1-152.955.40000114.1
399T44.6Very low45.8Very low134 Ų134141 Ų14182%0.82278%0.783SS**  trans86.1146.7170.778.90000116.3
400S47.9Very low46Very low92 Ų92142.9 Ų142.964%0.64379%0.786SS**  cis-160155.77.838.20000113.8
401Q48.4Very low46.1Very low197 Ų197141 Ų14192%0.92178%0.782SS**  trans58.2148.8149.5-64.9163.65.300119.5
402G51Low46.2Very low75 Ų75142 Ų14277%0.77378%0.784SS**  cis161.2164.40.500000108.2
403N47.1Very low45.5Very low157 Ų157139 Ų13984%0.8478%0.778SS**  cis-161.6161.8-4.4-153.342.1000109.2
404P55Low45.6Very low98 Ų98138.8 Ų138.864%0.63678%0.783SS**  trans-112.8164.6-163.841.5-34.9000117.2
405Y45.6Very low45.6Very low231 Ų231141.2 Ų141.291%0.90678%0.783SS**  trans-174.7158.3158.2-85.6-74.9000108.7
406A43.6Very low45.4Very low70 Ų70140.7 Ų140.758%0.57978%0.783SS**  cis-172.9148.8-30.100000113.3
407Y44.8Very low45.2Very low203 Ų203142.3 Ų142.380%0.79678%0.78SS**  trans56.9126.9144.2-75.1-56.3000125.9
408M39.1Very low45.2Very low152 Ų152145.1 Ų145.175%0.74978%0.779SS**  trans67.3152.4134.3-56.7-125.4-175.200118.8
409T44.3Very low45.4Very low125 Ų125147.4 Ų147.477%0.76778%0.779SS**  cis-159.6161.22.110000110.6
410T43.5Very low45.7Very low130 Ų130149.3 Ų149.380%0.79877%0.771SS**  trans-85.5162.5168.953.80000113.1
411P53Low45.8Very low129 Ų129150.8 Ų150.884%0.83877%0.772SS**  trans-127.1157.9150.535.5-23.5000114.5
412K41.8Very low46Very low197 Ų197148 Ų14886%0.85776%0.759SS**  trans-98.9158.3-178.1-70.3174.7171.4176.20112.9
413S36.3Very low45.8Very low108 Ų108152.7 Ų152.776%0.75576%0.763SS**  trans1.5142149.362.90000121.9
414V42Very low45.9Very low132 Ų132153.2 Ų153.280%0.876%0.76SS**  trans-171.1111.9136.4141.40000106.7
415Q41.5Very low45.7Very low164 Ų164157.3 Ų157.377%0.76677%0.773SS**  58.9117.891.8-91.3-160.7-700117.9
416M42.7Very low45.9Very low177 Ų177149.7 Ų149.787%0.87276%0.764SS**  trans172.3113.2137.6-85.8-113.6163.200109.1
417Y42.5Very low45.8Very low193 Ų193153.9 Ų153.976%0.75778%0.777SS**  83.7105.474.8-106-74.3000117.1
418K50.3Low45.6Very low187 Ų187149.4 Ų149.481%0.81378%0.776SS**  trans-178.2124.5135.8-100.3176176.5-1770108.3
419Q49.4Very low45.6Very low145 Ų145147.5 Ų147.568%0.67878%0.776SS**  58.6134.572.5-87.7-174.6-18.700112.9
420R49.8Very low45.5Very low173 Ų173147.9 Ų147.965%0.65378%0.779SS**  cis-167.9148.93.9-149.5-174168.8150.7-0.1108.3E422R420-E422 IonicContact NE-OE1 2.76Å; R420-E422 IonicContact NH2-OE1 3.71Å
421D50.8Low45.8Very low124 Ų124150.4 Ų150.466%0.66378%0.779SS**  130.3152.2115-80-40.9000106.5
422E51.8Low45.3Very low139 Ų139152.4 Ų152.465%0.6578%0.777SS**  cis176.9168-27.8-111.6179-15000105.6R420R420-E422 IonicContact NE-OE1 2.76Å; R420-E422 IonicContact NH2-OE1 3.71Å
423M47.8Very low45.5Very low172 Ų172148.6 Ų148.685%0.84777%0.766SS**  trans72.3111.1176.5-55.6-177.4178.600117
424E48.3Very low46.1Very low169 Ų169152.3 Ų152.379%0.7977%0.765SS**  cis88.4146.634.1-64.6-155.7146.900117.3
425M51.1Low46.6Very low184 Ų184155.5 Ų155.591%0.90677%0.768SS**  trans75.5137.3172.6-48.1-167.1-168.400116.8
426G50.1Low46.7Very low70 Ų70150.9 Ų150.972%0.72276%0.764SS**  cis178163-3.200000111.9
427D40.8Very low46.8Very low158 Ų158147.9 Ų147.985%0.84576%0.761SS**  trans-65.5159.6-176.6-55-77.3000114.5
428S40.3Very low47.7Very low110 Ų110148.1 Ų148.177%0.76977%0.769SS**  160145.9109.3550000116.5
429C39.2Very low48.4Very low111 Ų111142.8 Ų142.875%0.7577%0.767SS**  trans57.8106.8143.3-62.70000122.8
430T42.5Very low48.7Very low134 Ų134147.8 Ų147.882%0.82280%0.797SS**  17.3132.3122.656.70000120.4
431F50.9Low48.7Very low182 Ų182146.5 Ų146.580%0.79880%0.804SS**  trans-146.3112.2146.9-166-108.5000110.7D433F431-D433 HydrophobicContact CE1-CB 3.86Å; F431-D433 HydrophobicContact CZ-CB 4.11Å
432E42.2Very low48.5Very low171 Ų171147.7 Ų147.780%0.79981%0.812SS**  trans-71.7137.5154.5-62.5174.7118.600107.5
433D46.3Very low48.4Very low117 Ų117148.2 Ų148.263%0.62682%0.821SS**  177.9143.9127.8-102.2-23.9000116.5F431F431-D433 HydrophobicContact CE1-CB 3.86Å; F431-D433 HydrophobicContact CZ-CB 4.11Å
434Y47.1Very low48.4Very low186 Ų186146.8 Ų146.873%0.72982%0.819SS**  trans85.5144.9143.5-87.6-125.7000124.1
435F53.6Low48.4Very low200 Ų200145.4 Ų145.488%0.87782%0.821SS**  trans77.1113177.2-53.9-72000116.5
436G43Very low48.2Very low66 Ų66142.8 Ų142.868%0.6882%0.815SS**  cis126.9110.8-1.900000112.9
437S46.1Very low48.1Very low115 Ų115148 Ų14880%0.80482%0.822SS**  trans50120162.258.90000120.6
438E60.8Low48.7Very low197 Ų197147.2 Ų147.292%0.92182%0.82SS**  -176.4130.1107.7-100.6-177.3-170.600113.5
439G63.6Low49.4Very low76 Ų76150.3 Ų150.378%0.78483%0.825SS**  trans82.883.1139.200000122
440L56.9Low50.3Low249 Ų249153.9 Ų153.9100%1.30483%0.831SS**  -168.40125.6-109.5165.3000112.3

Retrieved 440 of 440 residues in 105.5 ms (Link to these results)