A0A096MTS3_PAPAN Loading...

Chromosome 2 open reading frame 81

AlphaFold DB , UniProt , Accession A0A096MTS3, Species PAPAN (Papio anubis, Olive baboon), Gene C2orf81, Length 588 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
1M40.4Very low38.8Very low253 Ų253166.5 Ų166.5100%1.24684%0.837SS**  095.50-86.8167.4154.900107.4
2E38.4Very low38.2Very low156 Ų156160.3 Ų160.373%0.72980%0.803SS**  trans-87.4146.4166.4-64.7169.19300109.1Q4E2-Q4 HydrophobicContact CB-CG 4.42Å
3M39.3Very low38.1Very low183 Ų183164.6 Ų164.690%0.90180%0.804SS**  trans-145.779.1151.5-69.6-65.6-104.200104.4
4Q37.1Very low37.9Very low150 Ų150166.2 Ų166.270%0.70181%0.809SS**  52.4103.391.7-69.8-176.81.800113.6E2E2-Q4 HydrophobicContact CB-CG 4.42Å
5S43.6Very low38.2Very low111 Ų111163.5 Ų163.578%0.77681%0.806SS**  trans-54.2167.6151.8-36.20000110.6
6P49Very low38.2Very low120 Ų120167.9 Ų167.978%0.77981%0.81SS**  -144.2157.910935.4-21.3000116.7
7I42.1Very low38.4Very low160 Ų160166.6 Ų166.682%0.82181%0.809SS**  trans-79.2134.5164.6-63151.7000109.1
8V35.2Very low38.7Very low125 Ų125171.3 Ų171.376%0.75882%0.816SS**  trans-146.8104.5156.3-175.70000106.5
9Q33.5Very low38.6Very low170 Ų170166.1 Ų166.179%0.79481%0.812SS**  85.299.567-161.9177.937.400113.9
10R36Very low39Very low207 Ų207164.4 Ų164.478%0.78181%0.812SS**  trans1.5127.4144.7-177.9-175.6-173174.83.2117.1E12R10-E12 IonicContact CZ-OE2 3.81Å; R10-E12 IonicContact NE-OE2 3.75Å; R10-E12 IonicContact NH2-OE2 2.98Å; R10-E12 PolarHBondContact NH2-OE2 3.43Å
11Q32.3Very low39.1Very low197 Ų197163.1 Ų163.192%0.92181%0.813SS**  trans-141146.8140.2-149.316618.800113.1
12E31.8Very low39.5Very low91 Ų91162.3 Ų162.343%0.42580%0.797SS.*  trans-132140.6-166.4161.8-173.9168.900107.5R10R10-E12 IonicContact CZ-OE2 3.81Å; R10-E12 IonicContact NE-OE2 3.75Å; R10-E12 IonicContact NH2-OE2 2.98Å; R10-E12 PolarHBondContact NH2-OE2 3.43Å
13R36.8Very low40Very low217 Ų217160.4 Ų160.482%0.81980%0.8SS**  trans68.7145.6179.9-60157.2-155.5-141.86.3113.3
14Q35.3Very low40.4Very low187 Ų187161.5 Ų161.587%0.87480%0.8SS**  -161.7151.854.6-162.7173800114.3
15V42.9Very low40.8Very low125 Ų125158.6 Ų158.676%0.75880%0.802SS**  trans-70.9133.9168.4168.90000111.2
16R37Very low41Very low234 Ų234161.3 Ų161.388%0.88380%0.802SS**  trans-168.1107.5134.9-109.7175.4-169.6-165.93.3114.5
17D42.2Very low40.9Very low146 Ų146165 Ų16578%0.78181%0.806SS**  trans4.7125.8133.7-175.623.3000118.5
18R44.4Very low41.3Very low251 Ų251163.1 Ų163.195%0.94780%0.801SS**  trans-164.9123.1149.6-115.7176.3-176.5-174.50.8112.9
19G37Very low42.3Very low72 Ų72167 Ų16774%0.74280%0.803SS**  trans104.585.4142.100000117.8
20V44.8Very low43.2Very low133 Ų133163.7 Ų163.781%0.80680%0.796SS**  trans-61.7129.6161.5170.30000111.2
21T42.5Very low43.9Very low137 Ų137159.1 Ų159.184%0.8479%0.793SS**  trans-134.114114550.30000110.3
22R48.7Very low44.9Very low236 Ų236155.2 Ų155.289%0.89178%0.783SS**  trans-86.6134.3-175-65.1171.2170.3177.3-4.3110.4
23S49Very low46.1Very low116 Ų116156.1 Ų156.181%0.81179%0.794SS**  trans-135.9106.6161.8-66.60000110.3A25S23-A25 PolarHBondContact O-N 3.26Å
24K48Very low47.3Very low207 Ų207150.7 Ų150.790%0.979%0.787SS**  trans-73.8102.2178.4-177.9-175.3-178.9-176.30109.4
25A43.9Very low48.4Very low88 Ų88147.6 Ų147.673%0.72778%0.781SS**  trans-138.475.7172.300000109.8S23 K27S23-A25 PolarHBondContact O-N 3.26Å; A25-K27 PolarHBondContact O-N 3.33Å
26E49.2Very low49.5Very low169 Ų169147 Ų14779%0.7978%0.779SS**  trans-68.977.2172.6-172.6179.516100109.5V28E26-V28 PolarHBondContact O-N 3.3Å
27K46.8Very low50.8Low197 Ų197142.9 Ų142.986%0.85777%0.77SS**  trans-83.195173.8-167.8169.5-175.3177.90108A25 R29A25-K27 PolarHBondContact O-N 3.33Å; K27-R29 PolarHBondContact O-N 3.2Å
28V50.1Low52.3Low120 Ų120139.9 Ų139.973%0.72776%0.757SS**  trans-40.4108.2175178.30000109.7E26E26-V28 PolarHBondContact O-N 3.3Å
29R56.8Low53.9Low208 Ų208131.1 Ų131.179%0.78573%0.729SS**PPolyproline II helixtrans-63.9130.7165.9-162.6174.8-166.1147.51.3105.5K27K27-R29 PolarHBondContact O-N 3.2Å
30P51Low55.8Low99 Ų99131.4 Ų131.464%0.64371%0.712SS**PPolyproline II helixtrans-55143.8171.826.1-33.8000107.7T32P30-T32 PolarHBondContact O-N 3.3Å
31P50.8Low57.4Low111 Ų111127.9 Ų127.972%0.72169%0.691SS**PPolyproline II helixtrans-56.7116.2176.924.3-32.5000107.3V33P31-V33 PolarHBondContact O-N 2.86Å
32T53.9Low59Low116 Ų116126.5 Ų126.571%0.71269%0.685SS**  trans-64.591.8164.8-57.20000105P30 P34P30-T32 PolarHBondContact O-N 3.3Å; T32-P34 WeakPolarHBondContact O-CD 3.42Å
33V56.5Low60.2Low110 Ų110118.8 Ų118.867%0.66768%0.678SS**PPolyproline II helixtrans-52117.5168.2176.70000104.8P31 V35P31-V33 PolarHBondContact O-N 2.86Å; V33-V35 PolarHBondContact O-N 3.24Å
34P62Low61.6Low103 Ų103123 Ų12367%0.66968%0.676SS**PPolyproline II helixtrans-57.1130.8176.423.9-31.7000106.7T32T32-P34 WeakPolarHBondContact O-CD 3.42Å
35V59.8Low63.1Low122 Ų122115.3 Ų115.374%0.73965%0.645SS**PPolyproline II helixtrans-47.8129.6171.6174.90000106.5V33 Q37V33-V35 PolarHBondContact O-N 3.24Å; V35-Q37 PolarHBondContact O-N 2.96Å
36P64.7Low65.2Low111 Ų111112.9 Ų112.972%0.72162%0.619SS**  trans-56.8102.3-179-24.834.2000109.3V38P36-V38 PolarHBondContact O-N 3.04Å; P36-V38 VanDerWaalsContact O-N 3.17Å
37Q65.1Low67.1Low149 Ų149109.5 Ų109.570%0.69660%0.603SS**  trans-71.4110.6169.7-72179.4-32.100104.7V35 D39V35-Q37 PolarHBondContact O-N 2.96Å; Q37-D39 VanDerWaalsContact C-N 3.29Å; Q37-D39 PolarHBondContact O-N 3.31Å
38V73.5Confident69Low83 Ų83103.4 Ų103.450%0.50359%0.59SS.*  trans-73.494.3176-1780000106P36 I40 E47P36-V38 PolarHBondContact O-N 3.04Å; P36-V38 VanDerWaalsContact O-N 3.17Å; V38-I40 PolarHBondContact O-N 3.05Å; V38-E47 HydrophobicContact CB-CB 4.42Å; V38-E47 WeakPolarHBondContact O-CB 3.43Å; V38-E47 PolarHBondContact O-N 3.24Å
39D77.2Confident70.9Confident66 Ų66102.2 Ų102.235%0.35358%0.577SS.*EExtended strand (participates in β ladder)trans-69.6112.3172.2-80.64.7000108.5Q37 V41 P42 G43Q37-D39 VanDerWaalsContact C-N 3.29Å; Q37-D39 PolarHBondContact O-N 3.31Å; D39-V41 VanDerWaalsContact C-N 3.29Å; D39-P42 WeakPolarHBondContact OD2-CA 3.37Å; D39-G43 PolarHBondContact OD2-N 2.94Å
40I76.6Confident72.5Confident79 Ų7998.1 Ų98.141%0.40556%0.561SS.*EExtended strand (participates in β ladder)trans-69.5-35.8172-62.4-179.2000109.3V38 L45 E47 W50V38-I40 PolarHBondContact O-N 3.05Å; I40-L45 HydrophobicContact CB-CD2 4Å; I40-L45 HydrophobicContact CG2-CD2 4.3Å; I40-L45 PolarHBondContact N-O 3.43Å; I40-L45 VanDerWaalsContact N-O 3.15Å; I40-E47 HydrophobicContact CD1-CB 4.28Å; I40-E47 HydrophobicContact CD1-CG 4.46Å; I40-E47 HydrophobicContact CG1-CB 4.36Å; I40-W50 HydrophobicContact CD1-CB 3.58Å; I40-W50 HydrophobicContact CD1-CD2 3.62Å; I40-W50 HydrophobicContact CD1-CE3 3.56Å; I40-W50 HydrophobicContact CD1-CG 3.63Å; I40-W50 HydrophobicContact CD1-CZ3 4.49Å
41V78.5Confident74.5Confident59 Ų5998 Ų9836%0.35855%0.553SS.*EExtended strand (participates in β ladder)trans-126.3111.1165.3-1740000108.6D39 G43 R44 L45D39-V41 VanDerWaalsContact C-N 3.29Å; V41-G43 PolarHBondContact O-N 3.13Å; V41-R44 HydrophobicContact CB-CB 4.24Å; V41-R44 HydrophobicContact CG1-CB 3.91Å; V41-R44 HydrophobicContact CG1-CG 4.37Å; V41-R44 PolarHBondContact O-N 2.85Å; V41-L45 HydrophobicContact CB-CB 4.19Å; V41-L45 HydrophobicContact CG2-CB 4.44Å; V41-L45 PolarHBondContact N-O 2.94Å; V41-L45 VanDerWaalsContact N-O 3.13Å; V41-L45 PolarHBondContact O-N 3.35Å; V41-L45 VanDerWaalsContact O-N 3.12Å
42P77.1Confident76.5Confident108 Ų10895.8 Ų95.870%0.70154%0.544SS*.THydrogen-bonded Turntrans-46.9119.3-175.7-32.936.8000113.9D39 R44D39-P42 WeakPolarHBondContact OD2-CA 3.37Å; P42-R44 PolarHBondContact O-N 3.12Å
43G74.6Confident78.3Confident73 Ų7395 Ų9575%0.75354%0.535SS*.THydrogen-bonded Turntrans64.915.4178.200000116D39 V41D39-G43 PolarHBondContact OD2-N 2.94Å; V41-G43 PolarHBondContact O-N 3.13Å
44R78.1Confident80Confident206 Ų20691.1 Ų91.178%0.77751%0.512SS*.THydrogen-bonded Turntrans-131-31.1178.7-67.2-167.667.5-130.7-5.1115.4V41 P42V41-R44 HydrophobicContact CB-CB 4.24Å; V41-R44 HydrophobicContact CG1-CB 3.91Å; V41-R44 HydrophobicContact CG1-CG 4.37Å; V41-R44 PolarHBondContact O-N 2.85Å; P42-R44 PolarHBondContact O-N 3.12Å
45L79.3Confident81.6Confident45 Ų4589 Ų8924%0.23650%0.503CS..EExtended strand (participates in β ladder)trans-156.9112.6-174.8-173.5132.8000109.5I40 V41 E49 W50 L53I40-L45 HydrophobicContact CB-CD2 4Å; I40-L45 HydrophobicContact CG2-CD2 4.3Å; I40-L45 PolarHBondContact N-O 3.43Å; I40-L45 VanDerWaalsContact N-O 3.15Å; V41-L45 HydrophobicContact CB-CB 4.19Å; V41-L45 HydrophobicContact CG2-CB 4.44Å; V41-L45 PolarHBondContact N-O 2.94Å; V41-L45 VanDerWaalsContact N-O 3.13Å; V41-L45 PolarHBondContact O-N 3.35Å; V41-L45 VanDerWaalsContact O-N 3.12Å; L45-E49 WeakPolarHBondContact CA-OE2 3.37Å; L45-W50 HydrophobicContact CD2-CB 3.72Å; L45-W50 HydrophobicContact CD2-CG 4.25Å; L45-L53 HydrophobicContact CD1-CD1 4.21Å
46N88.3Confident83.3Confident36 Ų3687.9 Ų87.919%0.19349%0.492CS..EExtended strand (participates in β ladder)trans-86.9162.2176.570.165.7000111.7A48 E49 W50N46-A48 VanDerWaalsContact C-N 3.26Å; N46-A48 PolarHBondContact O-N 3.06Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 WeakPolarHBondContact OD1-CB 3.34Å; N46-A48 PolarHBondContact OD1-N 3.07Å; N46-E49 PolarHBondContact N-OE2 3.14Å; N46-E49 WeakPolarHBondContact ND2-CG 3.21Å; N46-E49 PolarHBondContact ND2-OE1 3.45Å; N46-E49 PolarHBondContact ND2-OE2 3.16Å; N46-E49 VanDerWaalsContact ND2-OE2 3.16Å; N46-E49 PolarHBondContact O-N 3.21Å; N46-E49 PolarHBondContact OD1-N 2.61Å; N46-W50 PolarHBondContact O-N 3.26Å
47E87.9Confident84.7Confident98 Ų9888.6 Ų88.646%0.45849%0.486SS..Hα-helixtrans-54.8-37.5179.4-177.5177.5-159.400113.5V38 I40 W50 M51V38-E47 HydrophobicContact CB-CB 4.42Å; V38-E47 WeakPolarHBondContact O-CB 3.43Å; V38-E47 PolarHBondContact O-N 3.24Å; I40-E47 HydrophobicContact CD1-CB 4.28Å; I40-E47 HydrophobicContact CD1-CG 4.46Å; I40-E47 HydrophobicContact CG1-CB 4.36Å; E47-W50 PolarHBondContact O-N 2.86Å; E47-M51 WeakPolarHBondContact O-CB 3.13Å; E47-M51 VanDerWaalsContact O-CG 3.3Å; E47-M51 WeakPolarHBondContact O-CG 3.21Å; E47-M51 PolarHBondContact O-N 3.16Å
48A87.8Confident86.1Confident69 Ų6987.2 Ų87.257%0.5748%0.479SS*.Hα-helixtrans-72.8-34.518000000112.8N46 A52N46-A48 VanDerWaalsContact C-N 3.26Å; N46-A48 PolarHBondContact O-N 3.06Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 WeakPolarHBondContact OD1-CB 3.34Å; N46-A48 PolarHBondContact OD1-N 3.07Å; A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.92Å
49E89.9Confident87.2Confident96 Ų9684.9 Ų84.945%0.44947%0.472SS..Hα-helixtrans-65.7-39.9171.3-75.6163.6-179.500111.5L45 N46 A52 L53L45-E49 WeakPolarHBondContact CA-OE2 3.37Å; N46-E49 PolarHBondContact N-OE2 3.14Å; N46-E49 WeakPolarHBondContact ND2-CG 3.21Å; N46-E49 PolarHBondContact ND2-OE1 3.45Å; N46-E49 PolarHBondContact ND2-OE2 3.16Å; N46-E49 VanDerWaalsContact ND2-OE2 3.16Å; N46-E49 PolarHBondContact O-N 3.21Å; N46-E49 PolarHBondContact OD1-N 2.61Å; E49-A52 PolarHBondContact O-N 3.27Å; E49-L53 WeakPolarHBondContact O-CG 3.31Å; E49-L53 PolarHBondContact O-N 3.06Å
50W90.2Very high88.1Confident121 Ų12187.8 Ų87.846%0.45848%0.484SS..Hα-helixtrans-63.7-52174.6-174.859.4000112I40 L45 N46 E47 A52 L53 T54I40-W50 HydrophobicContact CD1-CB 3.58Å; I40-W50 HydrophobicContact CD1-CD2 3.62Å; I40-W50 HydrophobicContact CD1-CE3 3.56Å; I40-W50 HydrophobicContact CD1-CG 3.63Å; I40-W50 HydrophobicContact CD1-CZ3 4.49Å; L45-W50 HydrophobicContact CD2-CB 3.72Å; L45-W50 HydrophobicContact CD2-CG 4.25Å; N46-W50 PolarHBondContact O-N 3.26Å; E47-W50 PolarHBondContact O-N 2.86Å; W50-A52 PolarHBondContact O-N 2.83Å; W50-L53 WeakPolarHBondContact O-CB 3.37Å; W50-L53 PolarHBondContact O-N 2.75Å; W50-T54 PolarHBondContact O-N 3.12Å; W50-T54 PolarHBondContact O-OG1 3.14Å
51M91.9Very high89Confident98 Ų9889.2 Ų89.248%0.48349%0.492SS..Hα-helixtrans-59.9-32.3177-69.2-58.2-55.700112.1E47 A55E47-M51 WeakPolarHBondContact O-CB 3.13Å; E47-M51 VanDerWaalsContact O-CG 3.3Å; E47-M51 WeakPolarHBondContact O-CG 3.21Å; E47-M51 PolarHBondContact O-N 3.16Å; M51-A55 WeakPolarHBondContact O-CB 3.39Å; M51-A55 PolarHBondContact O-N 3.36Å
52A92.8Very high89.9Confident63 Ų6390.4 Ų90.452%0.52150%0.499SS..Hα-helixtrans-70.9-33.8174.100000113.2A48 E49 W50 L56A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 2.92Å; E49-A52 PolarHBondContact O-N 3.27Å; W50-A52 PolarHBondContact O-N 2.83Å; A52-L56 WeakPolarHBondContact O-CB 3.48Å; A52-L56 PolarHBondContact O-N 2.77Å; A52-L56 VanDerWaalsContact O-N 3.15Å
53L92.3Very high90.9Very high99 Ų9989.7 Ų89.752%0.51849%0.493SS..Hα-helixtrans-71.2-44.5173.1-71.5169.9000111.4L45 E49 W50 L56 E57L45-L53 HydrophobicContact CD1-CD1 4.21Å; E49-L53 WeakPolarHBondContact O-CG 3.31Å; E49-L53 PolarHBondContact O-N 3.06Å; W50-L53 WeakPolarHBondContact O-CB 3.37Å; W50-L53 PolarHBondContact O-N 2.75Å; L53-L56 WeakPolarHBondContact O-CB 3.41Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-L56 VanDerWaalsContact O-N 3.16Å; L53-E57 PolarHBondContact O-N 3.16Å
54T93.2Very high92Very high30 Ų3088 Ų8818%0.18448%0.475CS..Hα-helixtrans-65-41.1176.2-58.90000111.7W50 L56 E57 E58W50-T54 PolarHBondContact O-N 3.12Å; W50-T54 PolarHBondContact O-OG1 3.14Å; T54-L56 PolarHBondContact O-N 2.92Å; T54-E57 PolarHBondContact O-N 3.26Å; T54-E58 HydrophobicContact CG2-CG 4.45Å; T54-E58 WeakPolarHBondContact O-CB 3.34Å; T54-E58 WeakPolarHBondContact O-CG 3.17Å; T54-E58 PolarHBondContact O-N 2.87Å
55A94.4Very high92.9Very high59 Ų5983.9 Ų83.949%0.48847%0.469SS..Hα-helixtrans-66.8-22.7174.200000113.5M51 G59M51-A55 WeakPolarHBondContact O-CB 3.39Å; M51-A55 PolarHBondContact O-N 3.36Å; A55-G59 PolarHBondContact O-N 3.42Å
56L94.9Very high93.8Very high98 Ų9886.8 Ų86.851%0.51348%0.483SS..Hα-helixtrans-75.6-46.1170.8178.664.4000110.7A52 L53 T54 G59 E60A52-L56 WeakPolarHBondContact O-CB 3.48Å; A52-L56 PolarHBondContact O-N 2.77Å; A52-L56 VanDerWaalsContact O-N 3.15Å; L53-L56 WeakPolarHBondContact O-CB 3.41Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-L56 VanDerWaalsContact O-N 3.16Å; T54-L56 PolarHBondContact O-N 2.92Å; L56-G59 CarbonylContact O-C 3.54Å; L56-G59 WeakPolarHBondContact O-CA 3.39Å; L56-G59 PolarHBondContact O-N 3.09Å; L56-G59 VanDerWaalsContact O-N 3.08Å; L56-E60 WeakPolarHBondContact O-CG 3.45Å; L56-E60 PolarHBondContact O-N 3.44Å
57E95.6Very high94.3Very high125 Ų12590.4 Ų90.458%0.58450%0.502SS*.Hα-helixtrans-58.1-49.9175.7-174.8172.7-156.500111.5L53 T54 G59 E60 D61L53-E57 PolarHBondContact O-N 3.16Å; T54-E57 PolarHBondContact O-N 3.26Å; E57-G59 PolarHBondContact O-N 2.94Å; E57-E60 PolarHBondContact O-N 2.92Å; E57-D61 PolarHBondContact O-N 3.26Å
58E95.1Very high94.8Very high120 Ų12088.5 Ų88.556%0.56150%0.503SS*.Hα-helixtrans-57.3-35.4172.4-70.9174-177.400112.4T54 V62T54-E58 HydrophobicContact CG2-CG 4.45Å; T54-E58 WeakPolarHBondContact O-CB 3.34Å; T54-E58 WeakPolarHBondContact O-CG 3.17Å; T54-E58 PolarHBondContact O-N 2.87Å; E58-V62 WeakPolarHBondContact O-CG2 3.26Å; E58-V62 PolarHBondContact O-N 3.38Å
59G95.1Very high95.3Very high35 Ų3588.7 Ų88.736%0.36149%0.494SS..Hα-helixtrans-70.8-36.3175.800000113.3A55 L56 E57 V63A55-G59 PolarHBondContact O-N 3.42Å; L56-G59 CarbonylContact O-C 3.54Å; L56-G59 WeakPolarHBondContact O-CA 3.39Å; L56-G59 PolarHBondContact O-N 3.09Å; L56-G59 VanDerWaalsContact O-N 3.08Å; E57-G59 PolarHBondContact O-N 2.94Å; G59-V63 WeakPolarHBondContact O-CG2 3.49Å; G59-V63 PolarHBondContact O-N 2.89Å; G59-V63 VanDerWaalsContact O-N 3.1Å
60E96.4Very high95.7Very high127 Ų12788.8 Ų88.859%0.59350%0.498SS*.Hα-helixtrans-68-41.1174.8-72.9-179.2-174.600111.2L56 E57 V63 G64L56-E60 WeakPolarHBondContact O-CG 3.45Å; L56-E60 PolarHBondContact O-N 3.44Å; E57-E60 PolarHBondContact O-N 2.92Å; E60-V63 PolarHBondContact O-N 2.72Å; E60-G64 PolarHBondContact O-N 3.22Å
61D96.2Very high96.1Very high108 Ų10888 Ų8858%0.57850%0.502SS*.Hα-helixtrans-59-48173.5-78.7-21.5000111.7E57 V63 G64 D65E57-D61 PolarHBondContact O-N 3.26Å; D61-V63 VanDerWaalsContact C-N 3.3Å; D61-V63 PolarHBondContact O-N 2.87Å; D61-G64 CarbonylContact O-C 3.46Å; D61-G64 WeakPolarHBondContact O-CA 3.44Å; D61-G64 PolarHBondContact O-N 2.94Å; D61-D65 PolarHBondContact O-N 3.1Å
62V96.9Very high96.4Very high84 Ų8486.1 Ų86.151%0.50950%0.502SS..Hα-helixtrans-61.9-37.2177.1170.80000112E58 G64 I66E58-V62 WeakPolarHBondContact O-CG2 3.26Å; E58-V62 PolarHBondContact O-N 3.38Å; V62-G64 VanDerWaalsContact C-N 3.34Å; V62-I66 HydrophobicContact CG1-CD1 4.03Å; V62-I66 WeakPolarHBondContact O-CD1 3.39Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.39Å; V62-I66 VanDerWaalsContact O-N 3.13Å
63V97.8Very high96.7Very high94 Ų9490.4 Ų90.457%0.5751%0.505SS*.Hα-helixtrans-68.4-35.7173.3170.30000111.1G59 E60 D61 I66 L67G59-V63 WeakPolarHBondContact O-CG2 3.49Å; G59-V63 PolarHBondContact O-N 2.89Å; G59-V63 VanDerWaalsContact O-N 3.1Å; E60-V63 PolarHBondContact O-N 2.72Å; D61-V63 VanDerWaalsContact C-N 3.3Å; D61-V63 PolarHBondContact O-N 2.87Å; V63-I66 PolarHBondContact O-N 3.28Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 PolarHBondContact O-N 3.4Å
64G97.6Very high96.9Very high36 Ų3689.6 Ų89.637%0.37150%0.504SS..Hα-helixtrans-58.9-49.7172.500000112.5E60 D61 V62 I66 L67 A68E60-G64 PolarHBondContact O-N 3.22Å; D61-G64 CarbonylContact O-C 3.46Å; D61-G64 WeakPolarHBondContact O-CA 3.44Å; D61-G64 PolarHBondContact O-N 2.94Å; V62-G64 VanDerWaalsContact C-N 3.34Å; G64-I66 PolarHBondContact O-N 3.08Å; G64-L67 PolarHBondContact O-N 2.9Å; G64-A68 WeakPolarHBondContact O-CB 3.23Å; G64-A68 PolarHBondContact O-N 3.49Å
65D97.9Very high97.2Very high121 Ų12192 Ų9265%0.64751%0.514SS*.Hα-helixtrans-60.1-45176.5-80.4-17.6000112.1D61 L67 A68 D69D61-D65 PolarHBondContact O-N 3.1Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3Å; D65-A68 PolarHBondContact O-N 2.9Å; D65-D69 WeakPolarHBondContact O-CB 3.37Å; D65-D69 PolarHBondContact O-N 3.35Å
66I98.2Very high97.4Very high106 Ų10692.8 Ų92.854%0.54451%0.51SS..Hα-helixtrans-62.4-41.4177-68.4165.3000111.1V62 V63 G64 L70V62-I66 HydrophobicContact CG1-CD1 4.03Å; V62-I66 WeakPolarHBondContact O-CD1 3.39Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.39Å; V62-I66 VanDerWaalsContact O-N 3.13Å; V63-I66 PolarHBondContact O-N 3.28Å; G64-I66 PolarHBondContact O-N 3.08Å; I66-L70 VanDerWaalsContact O-CB 3.32Å; I66-L70 WeakPolarHBondContact O-CB 3.41Å; I66-L70 PolarHBondContact O-N 3.31Å
67L98.3Very high97.5Very high112 Ų11291.3 Ų91.359%0.58651%0.507SS*.Hα-helixtrans-67.9-39.5177.7-179.960.7000111.6V63 G64 D65 L71V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 PolarHBondContact O-N 3.4Å; G64-L67 PolarHBondContact O-N 2.9Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3Å; L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 PolarHBondContact O-N 3.25Å
68A98.1Very high97.6Very high58 Ų5887.9 Ų87.948%0.47950%0.501SS..Hα-helixtrans-64.6-46.7177.100000111.8G64 D65 L71 A72G64-A68 WeakPolarHBondContact O-CB 3.23Å; G64-A68 PolarHBondContact O-N 3.49Å; D65-A68 PolarHBondContact O-N 2.9Å; A68-L71 PolarHBondContact O-N 2.81Å; A68-A72 VanDerWaalsContact O-CB 3.29Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.39Å
69D98.3Very high97.7Very high72 Ų7287.8 Ų87.839%0.38550%0.498SS..Hα-helixtrans-62.5-44.3175.3175.649.5000111.8D65 L71 A72 R73D65-D69 WeakPolarHBondContact O-CB 3.37Å; D65-D69 PolarHBondContact O-N 3.35Å; D69-L71 PolarHBondContact O-N 3.35Å; D69-A72 PolarHBondContact O-N 3.49Å; D69-R73 WeakPolarHBondContact O-CB 3.21Å; D69-R73 VanDerWaalsContact O-CG 3.26Å; D69-R73 WeakPolarHBondContact O-CG 3.13Å; D69-R73 PolarHBondContact O-N 3.5Å; D69-R73 IonicContact OD1-CZ 3.09Å; D69-R73 VanDerWaalsContact OD1-CZ 3.28Å; D69-R73 IonicContact OD1-NE 3.92Å; D69-R73 PolarHBondContact OD1-NE 3.14Å; D69-R73 IonicContact OD1-NH2 3.92Å; D69-R73 PolarHBondContact OD1-NH2 3.11Å; D69-R73 IonicContact OD2-CZ 3.23Å; D69-R73 IonicContact OD2-NE 3.01Å; D69-R73 PolarHBondContact OD2-NE 3.18Å; D69-R73 VanDerWaalsContact OD2-NE 3.11Å; D69-R73 IonicContact OD2-NH1 2.74Å; D69-R73 IonicContact OD2-NH2 2.68Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å
70L98.4Very high97.8Very high99 Ų9991.6 Ų91.652%0.51851%0.505SS..Hα-helixtrans-60.4-46.5175.3179.762.4000111.7I66 R73 V74I66-L70 VanDerWaalsContact O-CB 3.32Å; I66-L70 WeakPolarHBondContact O-CB 3.41Å; I66-L70 PolarHBondContact O-N 3.31Å; L70-R73 PolarHBondContact O-N 2.9Å; L70-V74 HydrophobicContact CD1-CG2 4.35Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.32Å; L70-V74 PolarHBondContact O-N 3.27Å
71L98.4Very high97.9Very high104 Ų10489.2 Ų89.255%0.54550%0.499SS..Hα-helixtrans-64.2-44.1178.4-177.761.7000111.2L67 A68 D69 R73 V74 M75L67-L71 VanDerWaalsContact O-CB 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.31Å; L67-L71 PolarHBondContact O-N 3.25Å; A68-L71 PolarHBondContact O-N 2.81Å; D69-L71 PolarHBondContact O-N 3.35Å; L71-R73 PolarHBondContact O-N 3.39Å; L71-V74 PolarHBondContact O-N 3.48Å; L71-M75 HydrophobicContact CD1-CG 4.09Å; L71-M75 HydrophobicContact CG-CG 4.3Å; L71-M75 WeakPolarHBondContact O-CB 3.42Å; L71-M75 VanDerWaalsContact O-CG 3.25Å; L71-M75 WeakPolarHBondContact O-CG 3.2Å; L71-M75 PolarHBondContact O-N 3.29Å
72A98.3Very high97.9Very high59 Ų5990.4 Ų90.449%0.48850%0.496SS..Hα-helixtrans-58.2-46.2177.100000111.7A68 D69 M75 D76A68-A72 VanDerWaalsContact O-CB 3.29Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.39Å; D69-A72 PolarHBondContact O-N 3.49Å; A72-M75 PolarHBondContact O-N 3.49Å; A72-D76 WeakPolarHBondContact O-CB 3.24Å; A72-D76 PolarHBondContact O-N 2.94Å
73R98.2Very high97.9Very high152 Ų15291.7 Ų91.757%0.57450%0.5SS*.Hα-helixtrans-64.4-41177.1-69.5173.2-167.4-158.48.6113D69 L70 L71 S77D69-R73 WeakPolarHBondContact O-CB 3.21Å; D69-R73 VanDerWaalsContact O-CG 3.26Å; D69-R73 WeakPolarHBondContact O-CG 3.13Å; D69-R73 PolarHBondContact O-N 3.5Å; D69-R73 IonicContact OD1-CZ 3.09Å; D69-R73 VanDerWaalsContact OD1-CZ 3.28Å; D69-R73 IonicContact OD1-NE 3.92Å; D69-R73 PolarHBondContact OD1-NE 3.14Å; D69-R73 IonicContact OD1-NH2 3.92Å; D69-R73 PolarHBondContact OD1-NH2 3.11Å; D69-R73 IonicContact OD2-CZ 3.23Å; D69-R73 IonicContact OD2-NE 3.01Å; D69-R73 PolarHBondContact OD2-NE 3.18Å; D69-R73 VanDerWaalsContact OD2-NE 3.11Å; D69-R73 IonicContact OD2-NH1 2.74Å; D69-R73 IonicContact OD2-NH2 2.68Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å; L70-R73 PolarHBondContact O-N 2.9Å; L71-R73 PolarHBondContact O-N 3.39Å; R73-S77 VanDerWaalsContact O-CB 3.26Å; R73-S77 WeakPolarHBondContact O-CB 3.23Å; R73-S77 PolarHBondContact O-N 3.27Å; R73-S77 PolarHBondContact O-OG 2.91Å
74V98.5Very high97.8Very high83 Ų8391.8 Ų91.850%0.50350%0.501SS..Hα-helixtrans-65.7-44.1176.51690000110.5L70 L71 S77 A78L70-V74 HydrophobicContact CD1-CG2 4.35Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.32Å; L70-V74 PolarHBondContact O-N 3.27Å; L71-V74 PolarHBondContact O-N 3.48Å; V74-S77 PolarHBondContact O-N 2.96Å; V74-A78 VanDerWaalsContact O-CB 3.28Å; V74-A78 WeakPolarHBondContact O-CB 3.49Å; V74-A78 PolarHBondContact O-N 3.39Å
75M98.5Very high97.7Very high80 Ų8096.1 Ų96.139%0.39451%0.511SS..Hα-helixtrans-63.9-48.4177.3-71-58.2-57.100111.8L71 A72 S77 A78 F79L71-M75 HydrophobicContact CD1-CG 4.09Å; L71-M75 HydrophobicContact CG-CG 4.3Å; L71-M75 WeakPolarHBondContact O-CB 3.42Å; L71-M75 VanDerWaalsContact O-CG 3.25Å; L71-M75 WeakPolarHBondContact O-CG 3.2Å; L71-M75 PolarHBondContact O-N 3.29Å; A72-M75 PolarHBondContact O-N 3.49Å; M75-S77 PolarHBondContact O-N 3.03Å; M75-A78 PolarHBondContact O-N 3.4Å; M75-F79 HydrophobicContact CB-CD2 4.34Å; M75-F79 HydrophobicContact CB-CE2 4.19Å; M75-F79 HydrophobicContact CE-CD2 4.3Å; M75-F79 HydrophobicContact CE-CE1 4.45Å; M75-F79 HydrophobicContact CE-CE2 3.43Å; M75-F79 VanDerWaalsContact CE-CE2 3.43Å; M75-F79 HydrophobicContact CE-CZ 3.53Å; M75-F79 WeakPolarHBondContact O-CB 3.3Å; M75-F79 WeakPolarHBondContact O-CD2 3.34Å; M75-F79 WeakPolarHBondContact O-CG 3.16Å; M75-F79 PolarHBondContact O-N 3.33Å
76D98.4Very high97.6Very high76 Ų7694.1 Ų94.141%0.40650%0.498SS..Hα-helixtrans-58.2-45.1175.6170.164.7000111.9A72 A78 F79 K80A72-D76 WeakPolarHBondContact O-CB 3.24Å; A72-D76 PolarHBondContact O-N 2.94Å; D76-A78 PolarHBondContact O-N 3.15Å; D76-F79 PolarHBondContact O-N 3.1Å; D76-K80 VanDerWaalsContact CG-NZ 3.27Å; D76-K80 WeakPolarHBondContact O-CB 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.41Å; D76-K80 PolarHBondContact O-N 3.37Å; D76-K80 WeakPolarHBondContact OD1-CE 3.32Å; D76-K80 IonicContact OD1-NZ 2.67Å; D76-K80 PolarHBondContact OD1-NZ 2.98Å; D76-K80 VanDerWaalsContact OD1-NZ 3.09Å; D76-K80 WeakPolarHBondContact OD2-CE 3.28Å; D76-K80 IonicContact OD2-NZ 3.76Å; D76-K80 PolarHBondContact OD2-NZ 3.29Å
77S97.8Very high97.5Very high66 Ų6692.4 Ų92.446%0.46250%0.495SS..Hα-helixtrans-61.4-44.8175.5-59.60000112R73 V74 M75 K80 V81R73-S77 VanDerWaalsContact O-CB 3.26Å; R73-S77 WeakPolarHBondContact O-CB 3.23Å; R73-S77 PolarHBondContact O-N 3.27Å; R73-S77 PolarHBondContact O-OG 2.91Å; V74-S77 PolarHBondContact O-N 2.96Å; M75-S77 PolarHBondContact O-N 3.03Å; S77-K80 PolarHBondContact O-N 3.13Å; S77-V81 WeakPolarHBondContact O-CG2 3.37Å; S77-V81 PolarHBondContact O-N 2.91Å
78A97.8Very high97.4Very high53 Ų5392.6 Ų92.644%0.43850%0.496SS..Hα-helixtrans-65.4-40.5177.600000112V74 M75 D76 V81 Y82V74-A78 VanDerWaalsContact O-CB 3.28Å; V74-A78 WeakPolarHBondContact O-CB 3.49Å; V74-A78 PolarHBondContact O-N 3.39Å; M75-A78 PolarHBondContact O-N 3.4Å; D76-A78 PolarHBondContact O-N 3.15Å; A78-V81 PolarHBondContact O-N 3.5Å; A78-Y82 WeakPolarHBondContact O-CB 3.24Å; A78-Y82 PolarHBondContact O-N 3.34Å
79F97.4Very high97.3Very high118 Ų11892.9 Ų92.952%0.51849%0.492SS..Hα-helixtrans-65.4-40.5175.1-75.5-54.2000112M75 D76 V81 Y82 L83M75-F79 HydrophobicContact CB-CD2 4.34Å; M75-F79 HydrophobicContact CB-CE2 4.19Å; M75-F79 HydrophobicContact CE-CD2 4.3Å; M75-F79 HydrophobicContact CE-CE1 4.45Å; M75-F79 HydrophobicContact CE-CE2 3.43Å; M75-F79 VanDerWaalsContact CE-CE2 3.43Å; M75-F79 HydrophobicContact CE-CZ 3.53Å; M75-F79 WeakPolarHBondContact O-CB 3.3Å; M75-F79 WeakPolarHBondContact O-CD2 3.34Å; M75-F79 WeakPolarHBondContact O-CG 3.16Å; M75-F79 PolarHBondContact O-N 3.33Å; D76-F79 PolarHBondContact O-N 3.1Å; F79-V81 PolarHBondContact O-N 3.25Å; F79-Y82 PolarHBondContact O-N 3.49Å; F79-L83 WeakPolarHBondContact O-CB 3.47Å; F79-L83 VanDerWaalsContact O-CG 3.32Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.47Å
80K97.4Very high97.3Very high115 Ų11595.1 Ų95.150%0.550%0.499SS..Hα-helixtrans-61.9-41.6173.5-75.8165.7176.2164.90112.2D76 S77 T84D76-K80 VanDerWaalsContact CG-NZ 3.27Å; D76-K80 WeakPolarHBondContact O-CB 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.41Å; D76-K80 PolarHBondContact O-N 3.37Å; D76-K80 WeakPolarHBondContact OD1-CE 3.32Å; D76-K80 IonicContact OD1-NZ 2.67Å; D76-K80 PolarHBondContact OD1-NZ 2.98Å; D76-K80 VanDerWaalsContact OD1-NZ 3.09Å; D76-K80 WeakPolarHBondContact OD2-CE 3.28Å; D76-K80 IonicContact OD2-NZ 3.76Å; D76-K80 PolarHBondContact OD2-NZ 3.29Å; S77-K80 PolarHBondContact O-N 3.13Å; K80-T84 WeakPolarHBondContact O-CB 3.48Å; K80-T84 WeakPolarHBondContact O-CG2 3.14Å; K80-T84 PolarHBondContact O-N 3.25Å; K80-T84 PolarHBondContact O-OG1 2.88Å
81V97.3Very high97.3Very high77 Ų7794.1 Ų94.147%0.46750%0.497SS..Hα-helixtrans-66-39.4174.2171.60000111.3S77 A78 F79 T84 Q85S77-V81 WeakPolarHBondContact O-CG2 3.37Å; S77-V81 PolarHBondContact O-N 2.91Å; A78-V81 PolarHBondContact O-N 3.5Å; F79-V81 PolarHBondContact O-N 3.25Å; V81-T84 WeakPolarHBondContact CA-OG1 3.39Å; V81-T84 PolarHBondContact O-OG1 3.28Å; V81-Q85 VanDerWaalsContact CG1-NE2 3.3Å; V81-Q85 VanDerWaalsContact O-CG 3.28Å; V81-Q85 WeakPolarHBondContact O-CG 3.38Å; V81-Q85 PolarHBondContact O-N 3.41Å; V81-Q85 VanDerWaalsContact O-N 3.11Å
82Y97.1Very high97.3Very high133 Ų13394.4 Ų94.452%0.52250%0.498SS..Hα-helixtrans-64.3-49.5174.8174.6-99.4000111.9A78 F79 T84 Q85 Q86A78-Y82 WeakPolarHBondContact O-CB 3.24Å; A78-Y82 PolarHBondContact O-N 3.34Å; F79-Y82 PolarHBondContact O-N 3.49Å; Y82-T84 PolarHBondContact O-N 2.95Å; Y82-Q85 PolarHBondContact O-N 2.91Å; Y82-Q86 HydrophobicContact CD1-CG 4.24Å; Y82-Q86 HydrophobicContact CD2-CG 4.08Å; Y82-Q86 HydrophobicContact CE1-CG 3.84Å; Y82-Q86 HydrophobicContact CE2-CG 3.66Å; Y82-Q86 HydrophobicContact CG-CG 4.36Å; Y82-Q86 WeakPolarHBondContact O-CG 3.43Å; Y82-Q86 PolarHBondContact O-N 3.38Å
83L96.5Very high97.2Very high111 Ų11194.4 Ų94.458%0.58149%0.494SS*.Hα-helixtrans-61.3-40.9179.2-72.2174000112.2F79 Q86 C87F79-L83 WeakPolarHBondContact O-CB 3.47Å; F79-L83 VanDerWaalsContact O-CG 3.32Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.47Å; L83-Q86 PolarHBondContact O-N 2.95Å; L83-C87 VanDerWaalsContact O-CB 3.28Å; L83-C87 WeakPolarHBondContact O-CB 3.5Å; L83-C87 PolarHBondContact O-N 3.04Å
84T95.9Very high97.2Very high97 Ų9792 Ų9260%0.59549%0.489SS*.Hα-helixtrans-66.2-37.217648.20000112.3K80 V81 Y82K80-T84 WeakPolarHBondContact O-CB 3.48Å; K80-T84 WeakPolarHBondContact O-CG2 3.14Å; K80-T84 PolarHBondContact O-N 3.25Å; K80-T84 PolarHBondContact O-OG1 2.88Å; V81-T84 WeakPolarHBondContact CA-OG1 3.39Å; V81-T84 PolarHBondContact O-OG1 3.28Å; Y82-T84 PolarHBondContact O-N 2.95Å
85Q95.3Very high97.2Very high126 Ų12690.2 Ų90.259%0.58948%0.484SS*.Hα-helixtrans-67.7-37.2172-71.8176.530.300113.1V81 Y82 P89V81-Q85 VanDerWaalsContact CG1-NE2 3.3Å; V81-Q85 VanDerWaalsContact O-CG 3.28Å; V81-Q85 WeakPolarHBondContact O-CG 3.38Å; V81-Q85 PolarHBondContact O-N 3.41Å; V81-Q85 VanDerWaalsContact O-N 3.11Å; Y82-Q85 PolarHBondContact O-N 2.91Å; Q85-P89 WeakPolarHBondContact O-CD 3.41Å
86Q96.6Very high97.2Very high79 Ų7993.4 Ų93.437%0.36949%0.491SS..Hα-helixtrans-82.6-21.1-179.7-65.9-53.9-38.500114Y82 L83 I88 P89 F90Y82-Q86 HydrophobicContact CD1-CG 4.24Å; Y82-Q86 HydrophobicContact CD2-CG 4.08Å; Y82-Q86 HydrophobicContact CE1-CG 3.84Å; Y82-Q86 HydrophobicContact CE2-CG 3.66Å; Y82-Q86 HydrophobicContact CG-CG 4.36Å; Y82-Q86 WeakPolarHBondContact O-CG 3.43Å; Y82-Q86 PolarHBondContact O-N 3.38Å; L83-Q86 PolarHBondContact O-N 2.95Å; Q86-I88 VanDerWaalsContact C-N 3.33Å; Q86-I88 PolarHBondContact O-N 3.3Å; Q86-P89 VanDerWaalsContact O-CD 3.24Å; Q86-P89 WeakPolarHBondContact O-CD 3.43Å; Q86-P89 WeakPolarHBondContact O-CG 3.05Å; Q86-F90 WeakPolarHBondContact O-CB 3.38Å; Q86-F90 PolarHBondContact O-N 2.9Å
87C96Very high97.1Very high71 Ų7193.8 Ų93.848%0.4849%0.491SS..Hα-helixtrans-55.2-46.2-177.8-179.50000112.3L83 T91L83-C87 VanDerWaalsContact O-CB 3.28Å; L83-C87 WeakPolarHBondContact O-CB 3.5Å; L83-C87 PolarHBondContact O-N 3.04Å; C87-T91 VanDerWaalsContact O-CB 3.23Å; C87-T91 WeakPolarHBondContact O-CB 3.42Å; C87-T91 PolarHBondContact O-N 3.25Å; C87-T91 PolarHBondContact O-OG1 2.93Å
88I94.9Very high97.1Very high116 Ų11692.8 Ų92.860%0.59549%0.486SS*.Hα-helixtrans-65.3-57.9179.4-60.4175.3000112Q86 F90 T91 I92Q86-I88 VanDerWaalsContact C-N 3.33Å; Q86-I88 PolarHBondContact O-N 3.3Å; I88-F90 VanDerWaalsContact C-N 3.32Å; I88-F90 PolarHBondContact O-N 3.34Å; I88-T91 PolarHBondContact O-N 3.1Å; I88-I92 HydrophobicContact CG2-CD1 3.7Å; I88-I92 HydrophobicContact CG2-CG1 4.47Å; I88-I92 VanDerWaalsContact O-CG1 3.3Å; I88-I92 WeakPolarHBondContact O-CG1 3.25Å; I88-I92 PolarHBondContact O-N 2.93Å
89P97.4Very high97Very high63 Ų6396.5 Ų96.541%0.40950%0.496SS..Hα-helixtrans-63.4-34.7-179.524.3-34.1000113.1Q85 Q86 S93Q85-P89 WeakPolarHBondContact O-CD 3.41Å; Q86-P89 VanDerWaalsContact O-CD 3.24Å; Q86-P89 WeakPolarHBondContact O-CD 3.43Å; Q86-P89 WeakPolarHBondContact O-CG 3.05Å; P89-S93 WeakPolarHBondContact O-CB 3.42Å; P89-S93 PolarHBondContact O-N 3.47Å; P89-S93 PolarHBondContact O-OG 3.42Å
90F97.4Very high96.9Very high119 Ų11994.4 Ų94.452%0.52249%0.49SS..Hα-helixtrans-65.6-45.8173.1178.4-96.5000112Q86 I88 I92 S93 Q94Q86-F90 WeakPolarHBondContact O-CB 3.38Å; Q86-F90 PolarHBondContact O-N 2.9Å; I88-F90 VanDerWaalsContact C-N 3.32Å; I88-F90 PolarHBondContact O-N 3.34Å; F90-I92 VanDerWaalsContact C-N 3.3Å; F90-I92 PolarHBondContact O-N 3.47Å; F90-S93 PolarHBondContact O-N 3.07Å; F90-S93 PolarHBondContact O-OG 2.99Å; F90-Q94 HydrophobicContact CD1-CG 4.07Å; F90-Q94 HydrophobicContact CD2-CG 4.34Å; F90-Q94 HydrophobicContact CE1-CG 3.67Å; F90-Q94 HydrophobicContact CE2-CG 3.98Å; F90-Q94 HydrophobicContact CG-CG 4.39Å; F90-Q94 HydrophobicContact CZ-CG 3.63Å; F90-Q94 WeakPolarHBondContact O-CB 3.36Å; F90-Q94 VanDerWaalsContact O-CG 3.26Å; F90-Q94 WeakPolarHBondContact O-CG 3.36Å; F90-Q94 PolarHBondContact O-N 2.93Å
91T98Very high96.7Very high79 Ų7992.8 Ų92.849%0.48548%0.484SS..Hα-helixtrans-64.4-37.9178.6-56.70000111.2C87 I88 A95C87-T91 VanDerWaalsContact O-CB 3.23Å; C87-T91 WeakPolarHBondContact O-CB 3.42Å; C87-T91 PolarHBondContact O-N 3.25Å; C87-T91 PolarHBondContact O-OG1 2.93Å; I88-T91 PolarHBondContact O-N 3.1Å; T91-A95 WeakPolarHBondContact O-CB 3.28Å; T91-A95 PolarHBondContact O-N 3.42Å
92I98Very high96.5Very high110 Ų11093.2 Ų93.256%0.56448%0.483SS*.Hα-helixtrans-67-41.9175.7-67.5169.3000111.3I88 F90 A95 R96I88-I92 HydrophobicContact CG2-CD1 3.7Å; I88-I92 HydrophobicContact CG2-CG1 4.47Å; I88-I92 VanDerWaalsContact O-CG1 3.3Å; I88-I92 WeakPolarHBondContact O-CG1 3.25Å; I88-I92 PolarHBondContact O-N 2.93Å; F90-I92 VanDerWaalsContact C-N 3.3Å; F90-I92 PolarHBondContact O-N 3.47Å; I92-A95 PolarHBondContact O-N 2.68Å; I92-R96 VanDerWaalsContact O-CB 3.32Å; I92-R96 WeakPolarHBondContact O-CB 3.25Å; I92-R96 PolarHBondContact O-N 3.17Å
93S97.4Very high96.3Very high58 Ų5890 Ų9041%0.40648%0.477SS..Hα-helixtrans-68-41.1177.965.90000112.1P89 F90 R96 E97P89-S93 WeakPolarHBondContact O-CB 3.42Å; P89-S93 PolarHBondContact O-N 3.47Å; P89-S93 PolarHBondContact O-OG 3.42Å; F90-S93 PolarHBondContact O-N 3.07Å; F90-S93 PolarHBondContact O-OG 2.99Å; S93-R96 PolarHBondContact O-N 3.24Å; S93-E97 WeakPolarHBondContact O-CB 3.48Å; S93-E97 PolarHBondContact O-N 3.31Å
94Q97.9Very high95.9Very high101 Ų10190.9 Ų90.947%0.47248%0.478SS..Hα-helixtrans-63.1-44.3173.3-69.5-64.5-19.600112.1F90 R96 E97 A98F90-Q94 HydrophobicContact CD1-CG 4.07Å; F90-Q94 HydrophobicContact CD2-CG 4.34Å; F90-Q94 HydrophobicContact CE1-CG 3.67Å; F90-Q94 HydrophobicContact CE2-CG 3.98Å; F90-Q94 HydrophobicContact CG-CG 4.39Å; F90-Q94 HydrophobicContact CZ-CG 3.63Å; F90-Q94 WeakPolarHBondContact O-CB 3.36Å; F90-Q94 VanDerWaalsContact O-CG 3.26Å; F90-Q94 WeakPolarHBondContact O-CG 3.36Å; F90-Q94 PolarHBondContact O-N 2.93Å; Q94-R96 PolarHBondContact O-N 3.46Å; Q94-E97 PolarHBondContact O-N 3.21Å; Q94-A98 WeakPolarHBondContact O-CB 3.23Å; Q94-A98 PolarHBondContact O-N 3.46Å
95A98.1Very high95.4Very high47 Ų4794.5 Ų94.539%0.38848%0.481SS..Hα-helixtrans-63.5-41.4176.500000111.9T91 I92 M99T91-A95 WeakPolarHBondContact O-CB 3.28Å; T91-A95 PolarHBondContact O-N 3.42Å; I92-A95 PolarHBondContact O-N 2.68Å; A95-M99 WeakPolarHBondContact O-CB 3.29Å; A95-M99 VanDerWaalsContact O-CG 3.23Å; A95-M99 WeakPolarHBondContact O-CG 3.41Å; A95-M99 PolarHBondContact O-N 3.03Å
96R98Very high94.8Very high147 Ų14798.2 Ų98.256%0.55549%0.49SS*.Hα-helixtrans-59.8-45.9173.7178.2-169.6166.8-75.2-3.1111.3I92 S93 Q94 M99 L100I92-R96 VanDerWaalsContact O-CB 3.32Å; I92-R96 WeakPolarHBondContact O-CB 3.25Å; I92-R96 PolarHBondContact O-N 3.17Å; S93-R96 PolarHBondContact O-N 3.24Å; Q94-R96 PolarHBondContact O-N 3.46Å; R96-M99 PolarHBondContact O-N 3.11Å; R96-L100 HydrophobicContact CG-CD1 4.5Å; R96-L100 VanDerWaalsContact NH1-CD1 3.34Å; R96-L100 WeakPolarHBondContact O-CG 3.08Å; R96-L100 PolarHBondContact O-N 3.28Å
97E97.6Very high94.1Very high84 Ų84102 Ų10239%0.39351%0.505SS..Hα-helixtrans-68.4-43.9-178.1-160.459.6-154.800111.8S93 Q94 M99 L100 Q101S93-E97 WeakPolarHBondContact O-CB 3.48Å; S93-E97 PolarHBondContact O-N 3.31Å; Q94-E97 PolarHBondContact O-N 3.21Å; E97-M99 VanDerWaalsContact C-N 3.3Å; E97-M99 PolarHBondContact O-N 2.82Å; E97-L100 WeakPolarHBondContact O-CB 3.42Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 VanDerWaalsContact O-N 3.1Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 2.94Å
98A97.2Very high93.1Very high44 Ų44105.6 Ų105.636%0.36452%0.519SS..Hα-helixtrans-60.3-38.6172.700000112Q94 Q101 I102Q94-A98 WeakPolarHBondContact O-CB 3.23Å; Q94-A98 PolarHBondContact O-N 3.46Å; A98-Q101 PolarHBondContact O-N 2.78Å; A98-I102 WeakPolarHBondContact O-CB 3.35Å; A98-I102 WeakPolarHBondContact O-CD1 3.37Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.99Å
99M96.7Very high92Very high132 Ų132104.3 Ų104.365%0.6553%0.526SS*.Hα-helixtrans-63.3-40.5173.2-77.5177.26700112.2A95 R96 E97 I102 T103A95-M99 WeakPolarHBondContact O-CB 3.29Å; A95-M99 VanDerWaalsContact O-CG 3.23Å; A95-M99 WeakPolarHBondContact O-CG 3.41Å; A95-M99 PolarHBondContact O-N 3.03Å; R96-M99 PolarHBondContact O-N 3.11Å; E97-M99 VanDerWaalsContact C-N 3.3Å; E97-M99 PolarHBondContact O-N 2.82Å; M99-I102 PolarHBondContact O-N 3.19Å; M99-T103 PolarHBondContact O-N 3.49Å; M99-T103 PolarHBondContact O-OG1 2.9Å
100L94.5Very high90.8Very high73 Ų73111.2 Ų111.238%0.38254%0.544SS..Hα-helixtrans-64.1-46.9176.2-73171.8000111.7R96 E97 I102 T103 E104R96-L100 HydrophobicContact CG-CD1 4.5Å; R96-L100 VanDerWaalsContact NH1-CD1 3.34Å; R96-L100 WeakPolarHBondContact O-CG 3.08Å; R96-L100 PolarHBondContact O-N 3.28Å; E97-L100 WeakPolarHBondContact O-CB 3.42Å; E97-L100 PolarHBondContact O-N 3.35Å; E97-L100 VanDerWaalsContact O-N 3.1Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 3.37Å; L100-T103 WeakPolarHBondContact CA-OG1 3.3Å; L100-T103 PolarHBondContact O-N 3.21Å; L100-T103 VanDerWaalsContact O-N 3.09Å; L100-T103 PolarHBondContact O-OG1 2.97Å; L100-E104 PolarHBondContact O-N 3.04Å
101Q93.2Very high90Very high81 Ų81112 Ų11238%0.37955%0.553SS.*Hα-helixtrans-59.3-43.6174.4-69.7177.8-8.400111.8E97 A98 T103 E104 W105E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 2.94Å; A98-Q101 PolarHBondContact O-N 2.78Å; Q101-T103 VanDerWaalsContact C-N 3.32Å; Q101-T103 PolarHBondContact O-N 2.83Å; Q101-E104 PolarHBondContact O-N 2.85Å; Q101-W105 HydrophobicContact CB-CH2 4.34Å; Q101-W105 HydrophobicContact CB-CZ2 4.05Å; Q101-W105 PolarHBondContact O-N 3.44Å
102I93.6Very high89.2Confident86 Ų86116 Ų11644%0.44157%0.566SS.*Hα-helixtrans-61.5-40.6174.4-70.3163.4000110.8A98 M99 L100 R106A98-I102 WeakPolarHBondContact O-CB 3.35Å; A98-I102 WeakPolarHBondContact O-CD1 3.37Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.99Å; M99-I102 PolarHBondContact O-N 3.19Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 3.37Å; I102-R106 HydrophobicContact CG2-CG 4.07Å; I102-R106 WeakPolarHBondContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 3.23Å
103T91.3Very high88.3Confident66 Ų66112.6 Ų112.641%0.40556%0.558SS.*Hα-helixtrans-66.8-39.4175.849.30000112.6M99 L100 Q101 R106 F107M99-T103 PolarHBondContact O-N 3.49Å; M99-T103 PolarHBondContact O-OG1 2.9Å; L100-T103 WeakPolarHBondContact CA-OG1 3.3Å; L100-T103 PolarHBondContact O-N 3.21Å; L100-T103 VanDerWaalsContact O-N 3.09Å; L100-T103 PolarHBondContact O-OG1 2.97Å; Q101-T103 VanDerWaalsContact C-N 3.32Å; Q101-T103 PolarHBondContact O-N 2.83Å; T103-R106 PolarHBondContact O-N 2.81Å; T103-F107 HydrophobicContact CG2-CD2 4.39Å; T103-F107 HydrophobicContact CG2-CE2 4.46Å; T103-F107 CarbonylContact O-C 3.58Å; T103-F107 WeakPolarHBondContact O-CA 3.42Å; T103-F107 VanDerWaalsContact O-CB 3.31Å; T103-F107 WeakPolarHBondContact O-CB 3.44Å; T103-F107 WeakPolarHBondContact O-CD2 3.41Å; T103-F107 PolarHBondContact O-N 3.39Å
104E88.4Confident87.5Confident129 Ų129115.2 Ų115.260%0.60356%0.564SS**Hα-helixtrans-64.5-39.3176.1-175.2176.7-161.800112.1L100 Q101 F107 L108L100-E104 PolarHBondContact O-N 3.04Å; Q101-E104 PolarHBondContact O-N 2.85Å; E104-F107 CarbonylContact O-C 3.33Å; E104-L108 WeakPolarHBondContact O-CA 3.28Å; E104-L108 PolarHBondContact O-N 2.99Å
105W86.9Confident86.3Confident174 Ų174116.7 Ų116.766%0.65959%0.586SS**Hα-helixtrans-76.2-30.3177.4-57.4-17.9000113.7Q101Q101-W105 HydrophobicContact CB-CH2 4.34Å; Q101-W105 HydrophobicContact CB-CZ2 4.05Å; Q101-W105 PolarHBondContact O-N 3.44Å
106R81.9Confident85.1Confident204 Ų204116.6 Ų116.677%0.7759%0.585SS**Hα-helixtrans-86.3-36.2179.9-70.5-64.7-171.2135.91.3112.8I102 T103I102-R106 HydrophobicContact CG2-CG 4.07Å; I102-R106 WeakPolarHBondContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 3.23Å; T103-R106 PolarHBondContact O-N 2.81Å
107F82.2Confident83.7Confident157 Ų157112.8 Ų112.869%0.68958%0.578SS**SBendtrans-113.372.3172.5-51.4-77.3000106.3T103 E104 A109T103-F107 HydrophobicContact CG2-CD2 4.39Å; T103-F107 HydrophobicContact CG2-CE2 4.46Å; T103-F107 CarbonylContact O-C 3.58Å; T103-F107 WeakPolarHBondContact O-CA 3.42Å; T103-F107 VanDerWaalsContact O-CB 3.31Å; T103-F107 WeakPolarHBondContact O-CB 3.44Å; T103-F107 WeakPolarHBondContact O-CD2 3.41Å; T103-F107 PolarHBondContact O-N 3.39Å; E104-F107 CarbonylContact O-C 3.33Å; F107-A109 PolarHBondContact O-N 2.81Å; F107-A109 VanDerWaalsContact O-N 3.14Å
108L74.4Confident82.4Confident148 Ų148114 Ų11478%0.77560%0.602SS**  trans-43.7126.4164.3-76.5165.9000107.1E104 R110E104-L108 WeakPolarHBondContact O-CA 3.28Å; E104-L108 PolarHBondContact O-N 2.99Å; L108-R110 PolarHBondContact O-N 3.49Å
109A71.4Confident81.2Confident88 Ų88120 Ų12073%0.72762%0.623SS**  trans-50.1139.6175.700000108.2F107 D111F107-A109 PolarHBondContact O-N 2.81Å; F107-A109 VanDerWaalsContact O-N 3.14Å; A109-D111 PolarHBondContact O-N 3.23Å
110R73.8Confident80.2Confident209 Ų209116.5 Ų116.579%0.78961%0.607SS**  trans-54.3115.2173.4173.6178.5175.9165.4-1106.6L108 E112L108-R110 PolarHBondContact O-N 3.49Å; R110-E112 PolarHBondContact O-N 3.35Å; R110-E112 VanDerWaalsContact O-N 3.16Å
111D79.9Confident79.2Confident135 Ų135118.9 Ų118.972%0.72263%0.626SS**  trans-60.6120.3168.4-169.9-0.4000106.6A109 G113A109-D111 PolarHBondContact O-N 3.23Å; D111-G113 PolarHBondContact O-N 2.85Å; D111-G113 PolarHBondContact OD1-N 3.42Å
112E81.6Confident78.4Confident162 Ų162120.7 Ų120.776%0.75764%0.643SS**  trans-68.2-11.7173.6-64.4-65.9173.300110.5R110R110-E112 PolarHBondContact O-N 3.35Å; R110-E112 VanDerWaalsContact O-N 3.16Å
113G79Confident77.6Confident39 Ų39123.7 Ų123.740%0.40265%0.649SS.*  trans76.2176.3-179.700000111.7D111 S115D111-G113 PolarHBondContact O-N 2.85Å; D111-G113 PolarHBondContact OD1-N 3.42Å; G113-S115 PolarHBondContact O-N 3.3Å; G113-S115 VanDerWaalsContact O-N 3.16Å
114E79.9Confident76.9Confident114 Ų114123.1 Ų123.153%0.53366%0.656SS.*  trans-72.9108.8172.4-69.1178.4-145.700108.8A116 V117 W123E114-A116 PolarHBondContact O-N 2.86Å; E114-A116 VanDerWaalsContact O-N 3.12Å; E114-V117 HydrophobicContact CB-CG2 3.7Å; E114-V117 WeakPolarHBondContact O-CG2 3.26Å; E114-W123 PolarHBondContact OE2-NE1 2.76Å
115S73.2Confident76.6Confident132 Ų132126.5 Ų126.592%0.92367%0.672SS**THydrogen-bonded Turntrans-70.4-6.9-174.955.70000114.3G113G113-S115 PolarHBondContact O-N 3.3Å; G113-S115 VanDerWaalsContact O-N 3.16Å
116A72Confident76.5Confident45 Ų45126 Ų12637%0.37268%0.682SS.*THydrogen-bonded Turntrans-125.624.4-173.900000113.5E114 A118 E119 D120E114-A116 PolarHBondContact O-N 2.86Å; E114-A116 VanDerWaalsContact O-N 3.12Å; A116-A118 PolarHBondContact O-N 3Å; A116-E119 HydrophobicContact CB-CB 4.41Å; A116-E119 WeakPolarHBondContact O-CA 3.46Å; A116-E119 PolarHBondContact O-N 3.19Å; A116-D120 PolarHBondContact O-N 3.11Å
117V69.3Low76.7Confident66 Ų66125.2 Ų125.240%0.469%0.687SS.*THydrogen-bonded Turntrans-50.6-32.9176.9167.70000113.1E114 E119 W123E114-V117 HydrophobicContact CB-CG2 3.7Å; E114-V117 WeakPolarHBondContact O-CG2 3.26Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-W123 HydrophobicContact CG1-CB 3.85Å; V117-W123 HydrophobicContact CG1-CG 4.21Å; V117-W123 HydrophobicContact CG2-CG 4.49Å
118A70.6Confident77Confident109 Ų109125.9 Ų125.990%0.90169%0.693SS**THydrogen-bonded Turntrans-77.5-13.4177.300000114.7A116A116-A118 PolarHBondContact O-N 3Å
119E72.3Confident77.6Confident171 Ų171124.2 Ų124.280%0.79969%0.691SS**THydrogen-bonded Turntrans-103.5-17.8177-59.6-173.6176.700112.3A116 V117 P121A116-E119 HydrophobicContact CB-CB 4.41Å; A116-E119 WeakPolarHBondContact O-CA 3.46Å; A116-E119 PolarHBondContact O-N 3.19Å; V117-E119 VanDerWaalsContact C-N 3.33Å; E119-P121 WeakPolarHBondContact O-CD 3.49Å
120D75.9Confident78.3Confident58 Ų58125.6 Ų125.631%0.3170%0.695SS.*  trans-85.6111.9176.5-169.8-14.6000111.3A116 T122 W123A116-D120 PolarHBondContact O-N 3.11Å; D120-T122 PolarHBondContact O-N 3.38Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-N 3.41Å; D120-T122 PolarHBondContact OD1-OG1 3.2Å; D120-W123 PolarHBondContact O-N 2.96Å; D120-W123 VanDerWaalsContact O-N 3.16Å
121P73.1Confident78.7Confident123 Ų123120.1 Ų120.180%0.79969%0.694SS**G310 helixtrans-65.9-8.7178.130.1-36.8000113.8E119 W123E119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-W123 VanDerWaalsContact C-N 3.3Å
122T76.4Confident78.6Confident120 Ų120119.2 Ų119.274%0.73670%0.698SS**G310 helixtrans-78-15.1176.2-30.20000112.7D120D120-T122 PolarHBondContact O-N 3.38Å; D120-T122 WeakPolarHBondContact OD1-CB 3.35Å; D120-T122 PolarHBondContact OD1-N 3.41Å; D120-T122 PolarHBondContact OD1-OG1 3.2Å
123W75.9Confident78.4Confident148 Ų148118.1 Ų118.156%0.56170%0.702SS**G310 helixtrans-106.726179.1-74.3105.2000113.9E114 V117 D120 P121E114-W123 PolarHBondContact OE2-NE1 2.76Å; V117-W123 HydrophobicContact CG1-CB 3.85Å; V117-W123 HydrophobicContact CG1-CG 4.21Å; V117-W123 HydrophobicContact CG2-CG 4.49Å; D120-W123 PolarHBondContact O-N 2.96Å; D120-W123 VanDerWaalsContact O-N 3.16Å; P121-W123 VanDerWaalsContact C-N 3.3Å
124G77.9Confident78.1Confident54 Ų54121.3 Ų121.356%0.55771%0.714SS**PPolyproline II helixtrans-64.3156.2171.800000112.9D126G124-D126 PolarHBondContact O-N 3.05Å
125E81.2Confident77.8Confident201 Ų201120.4 Ų120.494%0.93971%0.712SS**PPolyproline II helixtrans-64129.3166.3-65-179.9169.900109.3
126D84.8Confident77.5Confident162 Ų162119.8 Ų119.887%0.86671%0.708SS**PPolyproline II helixtrans-59.7137.3175-82.2-28.4000110.5G124 E128G124-D126 PolarHBondContact O-N 3.05Å; D126-E128 PolarHBondContact O-N 3.15Å
127E86.6Confident77.2Confident188 Ų188128.5 Ų128.588%0.87973%0.732SS**PPolyproline II helixtrans-62.8122.5175.9-172.5177.9-177.300110.1
128E87.8Confident76.9Confident172 Ų172127.3 Ų127.380%0.80473%0.729SS**PPolyproline II helixtrans-57.8125.7179.5-171.5179.3-174.900109.6D126 S130D126-E128 PolarHBondContact O-N 3.15Å; E128-S130 PolarHBondContact O-N 3.2Å
129P87.3Confident75.8Confident113 Ų113132 Ų13273%0.73473%0.732SS**PPolyproline II helixtrans-60.6127.9-175.223.7-34.2000110.1A131P129-A131 PolarHBondContact O-N 3.45Å; P129-A131 VanDerWaalsContact O-N 3.14Å
130S84.9Confident75.5Confident116 Ų116127.2 Ų127.281%0.81173%0.728SS**PPolyproline II helixtrans-46.8122.3-177.563.30000111.1E128 C132E128-S130 PolarHBondContact O-N 3.2Å; S130-C132 PolarHBondContact O-N 3.3Å; S130-C132 VanDerWaalsContact O-N 3.12Å
131A82.4Confident74.8Confident94 Ų94127.5 Ų127.578%0.77774%0.735SS**PPolyproline II helixtrans-47.6122.6-179.400000110.2P129 T133P129-A131 PolarHBondContact O-N 3.45Å; P129-A131 VanDerWaalsContact O-N 3.14Å; A131-T133 PolarHBondContact O-N 3.45Å
132C78.5Confident74.2Confident117 Ų117127.3 Ų127.379%0.79173%0.731SS**PPolyproline II helixtrans-57.4134.5-177.745.90000109.6S130 T134S130-C132 PolarHBondContact O-N 3.3Å; S130-C132 VanDerWaalsContact O-N 3.12Å; C132-T134 PolarHBondContact O-N 3.35Å
133T78.3Confident73.6Confident138 Ų138126.8 Ų126.885%0.84773%0.73SS**  trans-55.3112.4-179.848.90000109A131 D135A131-T133 PolarHBondContact O-N 3.45Å; T133-D135 PolarHBondContact O-N 3.25Å
134T72.4Confident73Confident106 Ų106125.2 Ų125.265%0.6574%0.736SS**  trans-53.6117.5-179.2-48.20000108.7C132 A138 S141C132-T134 PolarHBondContact O-N 3.35Å; T134-A138 HydrophobicContact CG2-CB 3.54Å; T134-S141 WeakPolarHBondContact CG2-OG 3.26Å
135D73Confident72.5Confident95 Ų95130.4 Ų130.451%0.50875%0.75SS.*  trans-64.6160.7-178.473.212.3000110.7T133 W137 A138T133-D135 PolarHBondContact O-N 3.25Å; D135-W137 PolarHBondContact O-N 3.36Å; D135-W137 WeakPolarHBondContact OD1-CA 3.34Å; D135-W137 WeakPolarHBondContact OD1-CB 3.43Å; D135-W137 PolarHBondContact OD1-N 3.07Å; D135-A138 PolarHBondContact O-N 3.24Å; D135-A138 PolarHBondContact OD1-N 3.4Å
136S67.4Low71.4Confident120 Ų120129 Ų12984%0.83974%0.744SS**THydrogen-bonded Turntrans-69.46.6179-38.20000113.4
137W64.4Low69.8Low227 Ų227125.2 Ų125.286%0.8674%0.735SS**THydrogen-bonded Turntrans-112.3-17.8-172.4-62.667.6000111.8D135 Q139D135-W137 PolarHBondContact O-N 3.36Å; D135-W137 WeakPolarHBondContact OD1-CA 3.34Å; D135-W137 WeakPolarHBondContact OD1-CB 3.43Å; D135-W137 PolarHBondContact OD1-N 3.07Å; W137-Q139 PolarHBondContact O-N 3.17Å; W137-Q139 VanDerWaalsContact O-N 3.13Å
138A62.9Low68.1Low41 Ų41122.4 Ų122.434%0.33973%0.733SS.*SBendtrans-58.8112.2167.900000111.4T134 D135 G140 S141T134-A138 HydrophobicContact CG2-CB 3.54Å; D135-A138 PolarHBondContact O-N 3.24Å; D135-A138 PolarHBondContact OD1-N 3.4Å; A138-G140 PolarHBondContact O-N 3.11Å; A138-S141 PolarHBondContact O-N 2.67Å; A138-S141 PolarHBondContact O-OG 3.09Å
139Q49.4Very low65.9Low209 Ų209120.7 Ų120.798%0.97773%0.734SS**THydrogen-bonded Turntrans-65.897.4-179.6-176.4177.8-12.600111.3W137W137-Q139 PolarHBondContact O-N 3.17Å; W137-Q139 VanDerWaalsContact O-N 3.13Å
140G65.5Low64Low69 Ų69120.7 Ų120.771%0.71174%0.737SS**THydrogen-bonded Turntrans144.8-15.6-179.800000114.2A138 V142A138-G140 PolarHBondContact O-N 3.11Å; G140-V142 VanDerWaalsContact C-N 3.31Å; G140-V142 PolarHBondContact O-N 3.48Å
141S60.6Low62Low64 Ų64124.5 Ų124.545%0.44874%0.742SS.*  trans-72.471.3-178-52.60000113.8T134 A138T134-S141 WeakPolarHBondContact CG2-OG 3.26Å; A138-S141 PolarHBondContact O-N 2.67Å; A138-S141 PolarHBondContact O-OG 3.09Å
142V61.4Low59.9Low120 Ų120123.6 Ų123.673%0.72774%0.742SS**  trans-91.5120.3169.6-178.30000109.2G140 V144G140-V142 VanDerWaalsContact C-N 3.31Å; G140-V142 PolarHBondContact O-N 3.48Å; V142-V144 PolarHBondContact O-N 3.35Å
143P62.5Low58.3Low109 Ų109125.7 Ų125.771%0.70874%0.744SS**  trans-63.3121176.5-21.833.3000111.5L145P143-L145 PolarHBondContact O-N 2.89Å
144V64.6Low56.5Low114 Ų114127.8 Ų127.869%0.69175%0.745SS**  trans-77.5104.1174.7179.60000109.1V142 H146V142-V144 PolarHBondContact O-N 3.35Å; V144-H146 PolarHBondContact O-N 3.37Å
145L66.9Low54.8Low163 Ų163129.2 Ų129.285%0.85375%0.748SS**  trans-78.3103.9170-66.5175.2000109.4P143 A147P143-L145 PolarHBondContact O-N 2.89Å; L145-A147 PolarHBondContact O-N 2.85Å
146H58Low52.9Low172 Ų172135.1 Ų135.180%0.79677%0.77SS**  trans-70.5115.3169.8-69.2-80.6000110V144V144-H146 PolarHBondContact O-N 3.37Å
147A50.1Low51.6Low82 Ų82139 Ų13968%0.67877%0.774SS**PPolyproline II helixtrans-72.5141.6168.100000110L145 T149L145-A147 PolarHBondContact O-N 2.85Å; A147-T149 PolarHBondContact O-N 3.44Å
148P51Low50.2Low130 Ų130131.8 Ų131.884%0.84477%0.771SS**PPolyproline II helixtrans-68.6124-179.527.4-33.5000110.9
149T42.8Very low48.9Very low135 Ų135139.1 Ų139.183%0.82880%0.798SS**PPolyproline II helixtrans-68.5128.4179.9-46.10000110.9A147 E151A147-T149 PolarHBondContact O-N 3.44Å; T149-E151 PolarHBondContact O-N 2.87Å
150S47.1Very low48.4Very low114 Ų114136 Ų13680%0.79779%0.788SS**PPolyproline II helixtrans-71.7120.9171.1-176.50000110.1G152S150-G152 PolarHBondContact O-N 3.44Å
151E43.3Very low47.7Very low195 Ų195137.9 Ų137.991%0.91179%0.788SS**  trans-70.5112.8175.4-65.9-177.8150.900110.7T149T149-E151 PolarHBondContact O-N 2.87Å
152G37.8Very low46.3Very low75 Ų75138.7 Ų138.777%0.77381%0.807SS**  trans-102.8110.9173.500000110.8S150S150-G152 PolarHBondContact O-N 3.44Å
153L45.8Very low44.9Very low161 Ų161136.8 Ų136.884%0.84381%0.811SS**  trans-86.6112.7179.5173.271.1000111.2
154E38.7Very low43.6Very low183 Ų183138 Ų13886%0.85582%0.816SS**  trans-149.3100.3158.550-167.9151.800113.2
155N38.1Very low42.3Very low136 Ų136139.3 Ų139.373%0.72782%0.819SS**  trans-91.3122.2160.8-82.8-46.5000108.4
156F32.8Very low41.2Very low218 Ų218139.7 Ų139.796%0.95682%0.817SS**  trans-147.3132.1147-81.2-64.7000111.7
157Q39.5Very low40.2Very low201 Ų201138.3 Ų138.394%0.93981%0.814SS**  trans-115.3138.5179.7-176.3173.711.500107.6
158G35Very low39.9Very low76 Ų76140.7 Ų140.778%0.78482%0.823SS**  trans-158.2113-174.700000114.7
159E35.9Very low39.2Very low196 Ų196142.9 Ų142.992%0.91683%0.826SS**  trans-62.9164.5164.1-76.6159.8128.300112.4
160D38.9Very low38.7Very low142 Ų142139.5 Ų139.576%0.75982%0.818SS**  cis-160.7-137.9-12-176.831.6000108.1
161P49.9Very low38.2Very low109 Ų109145.4 Ų145.471%0.70882%0.823SS**  -116.4170.3-122.739.7-24.7000117.6
162G31.3Very low37.9Very low82 Ų82140.5 Ų140.585%0.84581%0.811SS**  trans124.5128141.900000116.8
163G32Very low37.7Very low80 Ų80148.5 Ų148.583%0.82582%0.818SS**  trans141.987.6166.900000116
164V36.4Very low37.1Very low133 Ų133148.7 Ų148.781%0.80682%0.816SS**  trans-56.3136.7157.91780000107.9
165D37.6Very low36.6Very low142 Ų142143.8 Ų143.876%0.75982%0.815SS**  cis-155.4166.836.3-129.6-32.3000111.8
166Q42.5Very low36.4Very low171 Ų171147.6 Ų147.680%0.79982%0.819SS**  trans140.9100.5147.4-76.5-170110.300115.9
167I36.7Very low36.3Very low143 Ų143140.2 Ų140.273%0.73380%0.804SS**  trans45.6104.4143.4-43.5172.1000118.8
168P43.9Very low36.1Very low133 Ų133135.8 Ų135.886%0.86480%0.796SS**  trans-97.3114.3158.133.7-26.4000111.8
169L37.9Very low35.9Very low175 Ų175139.6 Ų139.692%0.91679%0.793SS**  trans-115.297.1167.8-167.678.9000109.1
170G31.5Very low35.7Very low65 Ų65137.1 Ų137.167%0.6778%0.782SS**  trans-161.221.2-161.500000120.6
171R37.6Very low35.2Very low237 Ų237138 Ų13889%0.89478%0.781SS**  trans67.7119.2171.3-49.7171-174-103.6-0.9113.6
172S35.2Very low34Very low93 Ų93139.7 Ų139.765%0.6578%0.781SS**  58.7128.655.4106.30000113.1
173W33.8Very low33.7Very low243 Ų243143.4 Ų143.492%0.9278%0.777SS**  cis-138.2148.77.5-89.8-51.4000112.6
174M33.3Very low33.5Very low164 Ų164145 Ų14581%0.80878%0.776SS**  trans-93.2132.8152.2-83.2-91.1-80.900108.5
175G27.8Very low33.1Very low81 Ų81150.7 Ų150.784%0.83578%0.782SS**  trans-120.481174.500000110.8
176R33.9Very low32.9Very low215 Ų215152 Ų15281%0.81178%0.784SS**  trans-70.6143.6179.2-171-167-60.8-92.41.2110.3
177G30.8Very low32.7Very low63 Ų63149.4 Ų149.465%0.64978%0.782SS**  trans-75.8161.5172.700000114.2
178S36.3Very low32.5Very low109 Ų109147.3 Ų147.376%0.76278%0.78SS**  trans-173.2122.2159-97.40000104.9
179Q30.6Very low32.4Very low155 Ų155147.2 Ų147.272%0.72478%0.78SS**  88.7136.772.1-179.7169.2-10.300112.2
180E31.2Very low31.9Very low145 Ų145146.9 Ų146.968%0.67877%0.773SS**  trans85.6109.3163.8-85.4156.6-143.100121.7
181Q28.1Very low31.8Very low161 Ų161152.3 Ų152.375%0.75279%0.786SS**  101.7102107.4-163167.19200120.4
182M24.7Very low31.3Very low143 Ų143149 Ų14970%0.70478%0.778SS**  trans59.1147.9135.6-81.8168.872.600124
183E26.6Very low31Very low161 Ų161150.6 Ų150.675%0.75278%0.783SS**  trans62.295.6147.8-71172.5166.600119.7
184S26.9Very low30.5Very low114 Ų114144.5 Ų144.580%0.79777%0.774SS**  168.9132.698.643.70000110.6
185W27.9Very low30.2Very low251 Ų251142.1 Ų142.195%0.95177%0.773SS**  trans-127.3148.1173.9-82.982.8000110.5
186E33.9Very low30.2Very low171 Ų171144.3 Ų144.380%0.79977%0.77SS**  trans76.1149.3179.7-59.3-142.313700117.2
187P37.1Very low30.6Very low116 Ų116140 Ų14075%0.75377%0.77SS**  cis-127.9158.714.538.9-22.6000118.5
188S34.4Very low31.2Very low99 Ų99142.1 Ų142.169%0.69277%0.772SS**  trans0.3152.9149.1-51.50000121.2
189P41Very low30.7Very low131 Ų131143.3 Ų143.385%0.85178%0.775SS**  -145.7171.488.339-22.4000117.9
190E26.7Very low30.5Very low167 Ų167142 Ų14278%0.7878%0.777SS**  trans-68.6159.7-176.5-52.7164.999.800115.6
191L29.8Very low30.4Very low180 Ų180140.6 Ų140.694%0.94278%0.784SS**  trans-148.1144.4143.3-111169.7000110.7
192K26.4Very low30.4Very low167 Ų167142.6 Ų142.673%0.72679%0.793SS**  trans-146.5158.7-163.7-151.8179.4-168.3166.70109.8
193V29Very low30.5Very low126 Ų126142.1 Ų142.176%0.76479%0.793SS**  trans75.9138.2164.7177.50000115.8
194T23.7Very low30.6Very low116 Ų116142.6 Ų142.671%0.71279%0.792SS**  cis-174.7146.2-16.7-890000108.7
195S27.1Very low30.8Very low113 Ų113145.7 Ų145.779%0.7980%0.795SS**  trans166.1151.1130.347.70000114.1
196V28.3Very low30.9Very low128 Ų128142 Ų14278%0.77679%0.788SS**  trans-132.1155.3177.8-157.50000107.1
197P42.6Very low30.6Very low125 Ų125138.8 Ų138.881%0.81279%0.791SS**  -144.9170.9102.330-9.6000115.4
198P43.5Very low30.2Very low106 Ų106136.7 Ų136.769%0.68879%0.79SS**  trans-119.9170.3-167.943-31.9000115.4
199T25.9Very low30.8Very low134 Ų134138.6 Ų138.682%0.82280%0.8SS**  trans165.5154.5146.334.80000107.7
200T25.5Very low30Very low128 Ų128136.2 Ų136.279%0.78580%0.799SS**  cis-153.7147.332.8-25.50000110.9
201S29.1Very low29.9Very low115 Ų115132 Ų13280%0.80480%0.8SS**  trans-104.5142.6162.1-60.80000109.5
202E28.3Very low30.5Very low203 Ų203129 Ų12995%0.94979%0.792SS**  trans-82.6159.5175.5-70.2-170.3123.400113
203L27.6Very low30.6Very low134 Ų134127 Ų12770%0.70279%0.793SS**  trans-131.2142.1-173.1-95-56.6000112
204F28.9Very low30.7Very low170 Ų170128.9 Ų128.975%0.74679%0.794SS**  trans64150.7157.5-60.5-52.7000117.1
205Q31.1Very low30.9Very low180 Ų180131.2 Ų131.284%0.84180%0.796SS**  cis-134.8136.440.6-72.2158.464.700110.7
206E28.9Very low31.1Very low173 Ų173131.3 Ų131.381%0.80879%0.793SS**  75.3104.470.7-168.3179.317100114.9
207A28.5Very low31.1Very low104 Ų104133.2 Ų133.286%0.8680%0.798SS**  trans167.1138.4138.300000111.7
208G27.6Very low30.4Very low72 Ų72130.9 Ų130.974%0.74280%0.797SS**  trans-134.8-157.7159.600000108.7
209P47.5Very low29.7Very low139 Ų139135.3 Ų135.390%0.90381%0.808SS**  cis-130.1174.3-2240.1-25.3000113
210G25.1Very low29.7Very low80 Ų80134.4 Ų134.483%0.82581%0.808SS**  trans157.5130.4164.800000115.6
211G24.2Very low29.8Very low78 Ų78140.4 Ų140.480%0.80482%0.816SS**  trans-95.2-147.5169.300000111.7
212P41.5Very low29.7Very low118 Ų118138.6 Ų138.677%0.76682%0.816SS**  cis-131.8-163.2-8.538.1-17.7000113.2
213V28.1Very low29.8Very low126 Ų126137.1 Ų137.176%0.76481%0.813SS**  trans72.6143.8168.1179.80000113.2
214E31.5Very low29.8Very low165 Ų165136.2 Ų136.277%0.77182%0.818SS**  cis-146.1146.336.1-142.1150.314300108.8
215E28.8Very low29.7Very low164 Ų164134 Ų13477%0.76682%0.824SS**  38137.295.9-91.8-175.2110.700115.2
216T30.7Very low29.6Very low116 Ų116130.3 Ų130.371%0.71282%0.824SS**  cis-156.6178234.30000113.1
217D27.7Very low29.4Very low168 Ų168125.8 Ų125.890%0.89882%0.824SS**  trans-49.4160.6175.2-67.6-71.5000118.5
218G28.5Very low29.2Very low76 Ų76125.8 Ų125.878%0.78482%0.818SS**  trans17886.7164.800000115.4
219Q28.5Very low29.2Very low198 Ų198129.7 Ų129.793%0.92582%0.821SS**  trans-62136.8-179.5-68.5152.6-26.500114.1
220S26.6Very low28.2Very low115 Ų115128.2 Ų128.280%0.80481%0.814SS**  -177.9128.7109.750.70000116.2
221R26.8Very low28.2Very low254 Ų254129.5 Ų129.596%0.95882%0.816SS**  trans60.398.3135.7-166.4176.4-112.2-118.8-0.7119.4
222G26.8Very low28.3Very low78 Ų78130.9 Ų130.980%0.80481%0.814SS**  trans-152.1116.4164.800000113
223L31.1Very low27.6Very low171 Ų171135.3 Ų135.390%0.89582%0.821SS**  trans-44.4139.9-178.4-55.4160.7000117.1
224S26.6Very low27.5Very low116 Ų116138.7 Ų138.781%0.81183%0.829SS**  161.3126.6108.4-720000116.6
225S27.3Very low27.2Very low122 Ų122138.6 Ų138.685%0.85383%0.833SS**  trans46.4147.1137.6-138.40000125.5
226A28.3Very low27.1Very low103 Ų103136.6 Ų136.685%0.85184%0.837SS**  trans63138.7167.700000118.1
227G25.6Very low26.9Very low78 Ų78137.5 Ų137.580%0.80484%0.842SS**  cis148.698.1-3.900000111.8
228S25.2Very low26.8Very low105 Ų105138.9 Ų138.973%0.73484%0.843SS**  trans-170.1128.5168.6-170.40000111.6
229L27.1Very low26.6Very low153 Ų153143.8 Ų143.880%0.80185%0.846SS**  166.1141.3114.2-87.9173.7000113
230S26.5Very low26.6Very low109 Ų109138.5 Ų138.576%0.76284%0.836SS**  trans50.6111.815360.60000120.2
231A24.6Very low27.2Very low106 Ų106139.4 Ų139.488%0.87684%0.839SS**  trans-123.6113.7151.800000109.4
232S26.9Very low27.3Very low108 Ų108131.8 Ų131.876%0.75583%0.831SS**  trans-95.9152.1169.6-66.30000110
233F26.9Very low27.3Very low210 Ų210136.9 Ų136.992%0.92183%0.834SS**  trans-44.3137.7-174.8-53.5-90.2000115.7
234Q25.9Very low27.1Very low197 Ų197135.6 Ų135.692%0.92183%0.828SS**  trans-132.1136.8151.2-69.8-165.614.600110.5
235L25.8Very low27.2Very low163 Ų163134.4 Ų134.485%0.85382%0.824SS**  trans-96.9125178.7-177.178.5000107.6
236S25.6Very low27.2Very low122 Ų122135.9 Ų135.985%0.85382%0.823SS**  trans-67.4134.4-176.9-54.80000112.6
237V27Very low28.2Very low136 Ų136136.1 Ų136.182%0.82482%0.816SS**  trans-119.9137.8166.8169.10000107.7
238E25.1Very low28.2Very low197 Ų197137.8 Ų137.892%0.92182%0.815SS**  trans-96.9151.4174.8-169.3175.7108.200109.9
239E24.6Very low28.4Very low179 Ų179140.1 Ų140.184%0.83682%0.819SS**  trans-122.6141.5-153.9179.1167.7-176.700115.2
240A28.3Very low28.5Very low87 Ų87141 Ų14172%0.71982%0.819SS**  trans72.8161.6155.800000119.5
241P40.2Very low29.2Very low134 Ų134140 Ų14087%0.8781%0.81SS**  cis-126-170.79.840.3-22.5000116.9
242A27.9Very low29.5Very low94 Ų94146.3 Ų146.378%0.77781%0.812SS**  trans-98-160.4-154.700000117
243E26Very low29.6Very low185 Ų185148.4 Ų148.486%0.86481%0.814SS**  trans103.2129.9-175.6-51.9-109.5135.600111.5
244D27.3Very low29.5Very low144 Ų144144.9 Ų144.977%0.7781%0.809SS**  cis-158.41647.7-1611.6000112.1
245A29.5Very low29.5Very low90 Ų90139.9 Ų139.974%0.74480%0.802SS**  trans29.9127.8163.300000125.8
246D27.5Very low29.6Very low154 Ų154137.1 Ų137.182%0.82480%0.796SS**  trans-68.5-173.8159.6-105.3-33.4000114.5
247P48.5Very low29.7Very low108 Ų108136.3 Ų136.370%0.70179%0.79SS**  cis-138.5178.4-38.238.8-22.2000113.8
248S26.1Very low29.7Very low113 Ų113138.5 Ų138.579%0.7979%0.792SS**  trans-165.5141.6143.148.80000117.4
249L28.4Very low29.8Very low154 Ų154133.4 Ų133.481%0.80678%0.783SS**  trans-22.1158.6159.3-69.396.5000118.8
250E30.8Very low29.9Very low172 Ų172132.1 Ų132.180%0.80478%0.781SS**  cis-164.6177.1-12.3-117.6-147.414400108.8
251P39.9Very low29.8Very low88 Ų88133.3 Ų133.357%0.57178%0.78SS**  trans-95.3167.2-162.838.8-38.2000115.8
252Y30.4Very low29.1Very low237 Ų237134.8 Ų134.893%0.92978%0.775SS**  trans-127.5111.3153.9-88.9-82000112.1
253L29Very low29Very low153 Ų153140.9 Ų140.980%0.80178%0.778SS**  trans-80.2153.8159.2-74.2158.6000109.6
254V26.4Very low29Very low135 Ų135135.6 Ų135.682%0.81877%0.773SS**  151.4132.3118.1166.30000113.2
255A25.2Very low29Very low92 Ų92136.8 Ų136.876%0.7677%0.774SS**  trans70.4113.5154.300000121.6
256S28.1Very low29Very low105 Ų105137 Ų13773%0.73477%0.768SS**  trans-74.4178.2152.955.60000113.8
257S26.8Very low29Very low105 Ų105136.7 Ų136.773%0.73477%0.766SS**  trans95.8139.9164.1-46.80000115.1
258Q28.6Very low27.9Very low183 Ų183138 Ų13886%0.85577%0.767SS**  cis-160.7134.722.9-149.6169.122.400114.3
259A26.1Very low28.1Very low89 Ų89140.6 Ų140.674%0.73676%0.764SS**  trans60164.8146.600000120.2
260L27.3Very low28.2Very low152 Ų152142 Ų14280%0.79677%0.766SS**  cis-154.4129.113.8-170.467.1000113
261T26.1Very low28.2Very low112 Ų112140.2 Ų140.269%0.68776%0.762SS**  trans22.3132.1138.9-37.70000119.2
262Q26Very low27.9Very low165 Ų165139.1 Ų139.177%0.77176%0.756SS**  179.4147.275.1-162.6173.985.800114.7
263R24.7Very low28.1Very low222 Ų222134.9 Ų134.984%0.83875%0.749SS**  trans69.8109.9153.1-104.5-179.3171.3-149.7-5.4121.8
264G26Very low28.4Very low75 Ų75134 Ų13477%0.77374%0.74SS**  trans-163.7119.8144.800000107.7
265Q27.2Very low28.9Very low169 Ų169133 Ų13379%0.7973%0.731SS**  trans-87142.7-177.6-70.5-172.8-10300110.9
266P30Very low29.6Very low95 Ų95136 Ų13662%0.61773%0.733SS**  trans-68139.5157.630.2-30.5000109.3D268P266-D268 PolarHBondContact O-N 3.38Å
267L27.9Very low30Very low146 Ų146140.7 Ų140.776%0.76474%0.736SS**  trans-85.983.4170.9-84.1161.8000108.9F269L267-F269 HydrophobicContact CB-CD2 4.23Å; L267-F269 HydrophobicContact CB-CE2 3.93Å; L267-F269 HydrophobicContact CD2-CE2 4.25Å; L267-F269 HydrophobicContact CD2-CZ 4.34Å; L267-F269 HydrophobicContact CG-CE2 4.46Å; L267-F269 PolarHBondContact O-N 2.85Å
268D25.1Very low30.4Very low136 Ų136141.3 Ų141.373%0.72774%0.739SS**  trans-67.991172.2-68.7-42.1000110.4P266 H270P266-D268 PolarHBondContact O-N 3.38Å; D268-H270 VanDerWaalsContact C-N 3.26Å; D268-H270 PolarHBondContact O-N 3.29Å
269F29.7Very low30.6Very low167 Ų167138.4 Ų138.473%0.73274%0.738SS**  trans-80.978.2166.3-74.3-73.3000110.1L267 L271L267-F269 HydrophobicContact CB-CD2 4.23Å; L267-F269 HydrophobicContact CB-CE2 3.93Å; L267-F269 HydrophobicContact CD2-CE2 4.25Å; L267-F269 HydrophobicContact CD2-CZ 4.34Å; L267-F269 HydrophobicContact CG-CE2 4.46Å; L267-F269 PolarHBondContact O-N 2.85Å; F269-L271 PolarHBondContact O-N 2.97Å
270H30.1Very low30.9Very low185 Ų185141.6 Ų141.686%0.85674%0.739SS**  trans-70.989.9170.1-138.7-69000109D268 S272D268-H270 VanDerWaalsContact C-N 3.26Å; D268-H270 PolarHBondContact O-N 3.29Å; H270-S272 PolarHBondContact O-N 3.45Å
271L31.8Very low31.1Very low134 Ų134140.2 Ų140.270%0.70274%0.739SS**  trans-67.4126.6172.4-67.1172.1000109F269F269-L271 PolarHBondContact O-N 2.97Å
272S33.9Very low31.2Very low65 Ų65142.4 Ų142.446%0.45574%0.741SS.*  trans-79.6162.2175.5960000110.8H270 E274 D275H270-S272 PolarHBondContact O-N 3.45Å; S272-E274 WeakPolarHBondContact CB-OE2 3.32Å; S272-E274 PolarHBondContact O-N 2.88Å; S272-E274 PolarHBondContact OG-OE2 3.03Å; S272-D275 PolarHBondContact O-N 3.39Å
273L35Very low31.5Very low148 Ų148142.7 Ų142.778%0.77575%0.747SS**G310 helixtrans-65.9-20.1-173.4-166.362.3000112.6
274E35.2Very low31.8Very low134 Ų134138.1 Ų138.163%0.62674%0.74SS**G310 helixtrans-67.7-29.7-179.9-73.564.9-148.200114.2S272 L276 Y277S272-E274 WeakPolarHBondContact CB-OE2 3.32Å; S272-E274 PolarHBondContact O-N 2.88Å; S272-E274 PolarHBondContact OG-OE2 3.03Å; E274-L276 PolarHBondContact O-N 3Å; E274-L276 VanDerWaalsContact O-N 3.17Å; E274-Y277 PolarHBondContact O-N 2.73Å
275D36.7Very low32Very low115 Ų115139.7 Ų139.762%0.61575%0.745SS**G310 helixtrans-70.4-11-178.7-83.2-22.3000113.1S272 Y277S272-D275 PolarHBondContact O-N 3.39Å; D275-Y277 VanDerWaalsContact C-N 3.26Å; D275-Y277 PolarHBondContact O-N 3.06Å
276L39.7Very low32.2Very low154 Ų154136.4 Ų136.481%0.80675%0.747SS**G310 helixtrans-811.2-179.7-141.473.4000114.2E274E274-L276 PolarHBondContact O-N 3Å; E274-L276 VanDerWaalsContact O-N 3.17Å
277Y35.1Very low32Very low204 Ų204135.8 Ų135.880%0.876%0.758SS**G310 helixtrans-102.41.7-173.5-133.7-91.6000115.9E274 D275 C279E274-Y277 PolarHBondContact O-N 2.73Å; D275-Y277 VanDerWaalsContact C-N 3.26Å; D275-Y277 PolarHBondContact O-N 3.06Å; Y277-C279 PolarHBondContact O-N 3.45Å
278C35.8Very low32.1Very low118 Ų118136.7 Ų136.780%0.79776%0.764SS**  trans-89.618.8-175.5-71.30000116
279C33.1Very low32.3Very low122 Ų122139.4 Ų139.482%0.82476%0.763SS**  trans-116.254178.4-710000113.9Y277Y277-C279 PolarHBondContact O-N 3.45Å
280M31.8Very low32.3Very low155 Ų155139.6 Ų139.676%0.76477%0.771SS**SBendtrans-128.3126.6165.9-75.7-64.3-68.700110.2Q282M280-Q282 PolarHBondContact O-N 3.23Å
281P31.6Very low32.3Very low123 Ų123136.6 Ų136.680%0.79976%0.758SS**  trans-67.4114.7176.9-20.232.8000111.7L283P281-L283 PolarHBondContact O-N 3.16Å
282Q29.3Very low32.1Very low158 Ų158136 Ų13674%0.73876%0.762SS**  trans-70118.9173-178.6174.5-27.900110.2M280 D284M280-Q282 PolarHBondContact O-N 3.23Å; Q282-D284 PolarHBondContact NE2-OD1 2.98Å
283L32.3Very low31.8Very low171 Ų171144.5 Ų144.590%0.89578%0.784SS**  trans-93.992.1172.3-99.9168.2000109.5P281 A285P281-L283 PolarHBondContact O-N 3.16Å; L283-A285 PolarHBondContact O-N 3.09Å
284D31.1Very low31.7Very low126 Ų126142.1 Ų142.167%0.67478%0.779SS**  trans-70.3117.9174.2-77.3-25.4000111.2Q282 A286Q282-D284 PolarHBondContact NE2-OD1 2.98Å; D284-A286 PolarHBondContact O-N 3.24Å
285A30.3Very low31.3Very low108 Ų108145.1 Ų145.189%0.89379%0.793SS**  trans-8998.6169.700000109.9L283L283-A285 PolarHBondContact O-N 3.09Å
286A30.2Very low30.8Very low101 Ų101143 Ų14384%0.83580%0.798SS**  trans-123.194.5168.700000109.7D284D284-A286 PolarHBondContact O-N 3.24Å
287G27.4Very low30.4Very low81 Ų81141.9 Ų141.984%0.83580%0.798SS**  trans-107.6113.8164.300000109.4
288D29.8Very low30.4Very low166 Ų166138 Ų13889%0.88880%0.798SS**  trans-142155.5141.2-147.8-4.9000111.7
289R28.5Very low29.9Very low192 Ų192143 Ų14373%0.72580%0.8SS**  trans-103.5143.8-159164.7-169.2171.6-155.22.3110.4E291R289-E291 IonicContact CZ-OE1 3.01Å; R289-E291 VanDerWaalsContact CZ-OE1 3.23Å; R289-E291 IonicContact NE-OE1 3.11Å; R289-E291 PolarHBondContact NE-OE1 3.4Å; R289-E291 IonicContact NH2-OE1 2.64Å; R289-E291 PolarHBondContact NH2-OE1 3.13Å
290L29.3Very low29.6Very low172 Ų172145 Ų14590%0.90180%0.801SS**  trans-149.7152.8151.7-105.7170.9000112.4
291E30Very low29.3Very low122 Ų122142 Ų14257%0.5780%0.801SS**PPolyproline II helixtrans-82.4153.1-156.2-66.6-78.413100115.7R289R289-E291 IonicContact CZ-OE1 3.01Å; R289-E291 VanDerWaalsContact CZ-OE1 3.23Å; R289-E291 IonicContact NE-OE1 3.11Å; R289-E291 PolarHBondContact NE-OE1 3.4Å; R289-E291 IonicContact NH2-OE1 2.64Å; R289-E291 PolarHBondContact NH2-OE1 3.13Å
292P28.8Very low29.2Very low120 Ų120141.8 Ų141.878%0.77980%0.802SS**PPolyproline II helixtrans-79.5119.9166.732.3-31.1000111.2
293R27.6Very low29.1Very low245 Ų245137.4 Ų137.493%0.92580%0.799SS**PPolyproline II helixtrans-92.6143.6171.8-156.9177.7-175.1-150.50.1111.3
294S31.9Very low28.8Very low97 Ų97135.6 Ų135.668%0.67880%0.795SS**PPolyproline II helixtrans-71.9166.7-17151.80000116.2
295E26.5Very low28.7Very low197 Ų197135 Ų13592%0.92180%0.8SS**  trans105.9131.8142.6-157.8156-15200118
296G27.1Very low28.4Very low70 Ų70138.4 Ų138.472%0.72280%0.798SS**  trans136.875.8173.100000116.2
297V30.7Very low28.2Very low132 Ų132139.4 Ų139.480%0.880%0.799SS**  trans-97.5138.5164172.50000109.1
298P35.9Very low28.1Very low123 Ų123141.2 Ų141.280%0.79980%0.797SS**  -133.8128.5128.724.9-7.6000114.2
299R25.8Very low28.9Very low222 Ų222139 Ų13984%0.83879%0.792SS**  trans-40.1159.4154.3-58.2169.7173.4-152.5-3.9114
300I26.5Very low28.8Very low164 Ų164134.6 Ų134.684%0.84179%0.791SS**  -176.7138118.2-95.5155.4000112.1
301A25.6Very low28.8Very low93 Ų93133.3 Ų133.377%0.76979%0.79SS**  trans58.4157.5156.300000121.3
302S28.8Very low28.7Very low118 Ų118130.6 Ų130.683%0.82580%0.795SS**  cis-174.4157.4-27.1-173.50000108.8
303G26.4Very low28.7Very low65 Ų65130.4 Ų130.467%0.6780%0.796SS**  trans90.2141.4159.700000116.6
304V27.5Very low28.7Very low133 Ų133123 Ų12381%0.80679%0.787SS**  cis166.9149.2-26.3139.50000106
305S28.3Very low28.6Very low113 Ų113125 Ų12579%0.7980%0.795SS**  trans89.1129.2161.8-73.10000121.2
306E25Very low28.6Very low181 Ų181122.7 Ų122.785%0.84679%0.789SS**  trans-89.9165.3176.8-51.6152.3133.300110.8
307S24.9Very low29.2Very low121 Ų121124.7 Ų124.785%0.84679%0.789SS**  -168.3131.8125.315.40000112.1
308C25.7Very low28.9Very low119 Ų119124 Ų12480%0.80479%0.791SS**  trans-91-157.4165.6-45.30000108.4
309P47.2Very low28.4Very low120 Ų120122.4 Ų122.478%0.77979%0.788SS**  cis-131.5-162.8-21.236.2-16.4000111.4
310S26.1Very low28.4Very low100 Ų100117.1 Ų117.170%0.69979%0.785SS**  154.2126.1115-166.40000114.9
311V29.3Very low28.4Very low145 Ų145114.4 Ų114.488%0.87978%0.78SS**  trans57.5134.9147.3173.90000119.6
312G27.6Very low28.6Very low65 Ų65117.6 Ų117.667%0.6778%0.779SS**  cis156.4170.3-4.900000113
313S27.7Very low28.6Very low115 Ų115118.7 Ų118.780%0.80477%0.771SS**  trans61.898.4165.3-171.40000117.7
314A28.4Very low28.7Very low89 Ų89122.5 Ų122.574%0.73677%0.772SS**  80.4135.874.800000115.4
315T29.2Very low28.5Very low139 Ų139126.8 Ų126.885%0.85377%0.773SS**  170.4125.1129-59.50000109.9
316D26.5Very low28.4Very low150 Ų150126.6 Ų126.680%0.80278%0.779SS**  trans-74.9-165.3169.9-68.1-63.1000110.7
317P41.2Very low28.4Very low111 Ų111121.3 Ų121.372%0.72177%0.773SS**  cis-147.7178.64.342.9-21.6000119.4
318S24Very low28.4Very low118 Ų118121.3 Ų121.383%0.82577%0.773SS**  trans84.5157.8133.3-92.60000124.3
319A24.9Very low28.6Very low90 Ų90120.9 Ų120.974%0.74477%0.771SS**  trans77.599.4167.600000116.6
320S25.3Very low27.6Very low110 Ų110122.6 Ų122.677%0.76977%0.774SS**  cis83.6107.343.884.60000116.1
321S27.8Very low27.6Very low107 Ų107124.3 Ų124.375%0.74878%0.78SS**  trans-166.8121.9141.4-77.20000106.6
322Q28.1Very low27.5Very low161 Ų161128.3 Ų128.375%0.75278%0.779SS**  51.8134.179-74.3-172.1-3200112.3
323Q29.2Very low27.6Very low140 Ų140133.2 Ų133.265%0.65479%0.789SS**  cis-161.4167.16.7-141.8119.2-124.500107.2
324Q28.1Very low27.5Very low145 Ų145133 Ų13368%0.67879%0.788SS**  cis-1551704.3-154.6167.856.900112.4
325R24.7Very low27.4Very low223 Ų223132.9 Ų132.984%0.84279%0.787SS**  trans-19.5139.1161-59.2164.6177.5168.4-2.9119.8
326A26.2Very low27.3Very low109 Ų109134.5 Ų134.590%0.90179%0.785SS**  176.1145.710200000109.9
327G25.4Very low27.4Very low71 Ų71136.4 Ų136.473%0.73279%0.788SS**  cis168.5139.7-9.700000110.3
328S23.9Very low26.8Very low121 Ų121140.3 Ų140.385%0.84680%0.797SS**  trans55.1115.4166.6-1660000117.8
329S29.2Very low27.1Very low109 Ų109146.4 Ų146.476%0.76280%0.801SS**  -172.2140.168.631.80000112.7
330D26Very low27.2Very low156 Ų156150.5 Ų150.583%0.83481%0.808SS**  trans-78.1131.8167.7-95.9-58.5000111
331V28.1Very low27.3Very low137 Ų137156.1 Ų156.183%0.8381%0.812SS**  trans-135.296.4150.9-178.80000109
332R27Very low27.5Very low228 Ų228162.5 Ų162.586%0.8682%0.82SS**  trans-83.5114169.3170.3-166.2-81.6-167.2-6.3109.4
333L28.8Very low27.8Very low168 Ų168163.7 Ų163.788%0.8882%0.822SS**  trans-143.6156.2150.1-83.4-173.3000111.3
334S26.2Very low28Very low110 Ų110161.7 Ų161.777%0.76983%0.83SS**  trans-112.7170-156.652.10000114.7
335A25.9Very low28.2Very low87 Ų87159.2 Ų159.272%0.71983%0.834SS**  trans86.1112.415500000119.3
336Q27.3Very low28.7Very low174 Ų174155.1 Ų155.181%0.81383%0.833SS**  trans44.1122.4139.3-60.7-178.1-6.200119.9
337H27.7Very low29.1Very low189 Ų189159 Ų15988%0.87583%0.83SS**  -167.4144.3111.3-95-61.6000111.6
338H29.3Very low29.7Very low193 Ų193167.1 Ų167.189%0.89484%0.838SS**  trans-58.8138.9171.1-77.8-79000111.9
339R29.3Very low30.5Very low246 Ų246169.1 Ų169.193%0.92884%0.839SS**  trans-146.6126.2152.4-131174.3-172.7-176.32.5113.9R341R339-R341 PolarHBondContact O-N 3.24Å
340M27.8Very low30.9Very low177 Ų177168.2 Ų168.287%0.87283%0.825SS**  trans-51.3125.6177-119.971.4158.800112.6R342M340-R342 PolarHBondContact O-N 3.07Å; M340-R342 VanDerWaalsContact O-N 3.17Å
341R27.3Very low31.6Very low228 Ų228166 Ų16686%0.8682%0.819SS**  trans-77.295.8165.6-172.6178.2-175.6-176.12.8109.2R339 K343R339-R341 PolarHBondContact O-N 3.24Å; R341-K343 PolarHBondContact O-N 2.95Å
342R32.8Very low32.3Very low241 Ų241163.6 Ų163.691%0.90981%0.814SS**  trans-63.5106.1171.3-66.1-177.2-176.6-178.30.8109.3M340M340-R342 PolarHBondContact O-N 3.07Å; M340-R342 VanDerWaalsContact O-N 3.17Å
343K33.2Very low33Very low186 Ų186162.8 Ų162.881%0.80981%0.811SS**  trans-76.3121.6160.2-77.2-177.3174.6-179.40107.5R341 A345R341-K343 PolarHBondContact O-N 2.95Å; K343-A345 PolarHBondContact O-N 3Å
344A32.9Very low33.4Very low98 Ų98161 Ų16181%0.8180%0.801SS**  trans-68.7111.7169.600000108.6V346A344-V346 PolarHBondContact O-N 3.44Å
345A33Very low33.7Very low92 Ų92160.3 Ų160.376%0.7680%0.795SS**  trans-75.2107.3171.500000108.6K343 K347K343-A345 PolarHBondContact O-N 3Å; A345-K347 PolarHBondContact O-N 3.4Å
346V36.1Very low34.3Very low138 Ų138161.3 Ų161.384%0.83680%0.795SS**  trans-64.7107.4165.5177.70000106.8A344 R348A344-V346 PolarHBondContact O-N 3.44Å; V346-R348 PolarHBondContact O-N 2.65Å
347K34.8Very low34.7Very low189 Ų189160.7 Ų160.782%0.82279%0.792SS**PPolyproline II helixtrans-60.9119.5170-75.8-175175-176.50107.6A345 L349A345-K347 PolarHBondContact O-N 3.4Å; K347-L349 PolarHBondContact O-N 3.18Å
348R38.1Very low34.9Very low242 Ų242162.8 Ų162.891%0.91379%0.792SS**PPolyproline II helixtrans-56.9131.5162.4-84.7-175.7155.5-162.2-7.2107.8V346V346-R348 PolarHBondContact O-N 2.65Å
349L39.5Very low35.1Very low163 Ų163159.4 Ų159.485%0.85379%0.785SS**PPolyproline II helixtrans-69.4141.2170.2-69.2170.1000108.9K347K347-L349 PolarHBondContact O-N 3.18Å
350D38.2Very low35.2Very low90 Ų90152.8 Ų152.848%0.48178%0.775SS.*PPolyproline II helixtrans-73121.2179.7176.48.7000110.2A352 R353D350-A352 PolarHBondContact O-N 3.02Å; D350-A352 VanDerWaalsContact O-N 3.14Å; D350-A352 WeakPolarHBondContact OD1-CB 3.3Å; D350-A352 PolarHBondContact OD1-N 2.64Å; D350-R353 PolarHBondContact O-N 3.11Å
351P40.9Very low35.5Very low110 Ų110149.7 Ų149.771%0.71477%0.768SS**G310 helixtrans-57.5-24.4177.5-24.935.2000114.1R353P351-R353 PolarHBondContact O-N 2.93Å; P351-R353 VanDerWaalsContact O-N 3.14Å
352A41.1Very low36.1Very low86 Ų86145.8 Ų145.871%0.71177%0.769SS**G310 helixtrans-72.20.3-179.500000114.5D350D350-A352 PolarHBondContact O-N 3.02Å; D350-A352 VanDerWaalsContact O-N 3.14Å; D350-A352 WeakPolarHBondContact OD1-CB 3.3Å; D350-A352 PolarHBondContact OD1-N 2.64Å
353R41.8Very low36.6Very low212 Ų212137.7 Ų137.780%0.875%0.754SS**G310 helixtrans-109.512.2-178.5-67.9-169.9168.9-134.2-6.4115.1D350 P351D350-R353 PolarHBondContact O-N 3.11Å; P351-R353 PolarHBondContact O-N 2.93Å; P351-R353 VanDerWaalsContact O-N 3.14Å
354L38.1Very low36.8Very low130 Ų130137.1 Ų137.168%0.68175%0.754SS**SBendtrans-89.3133.7171-67.5175.9000110.7C356L354-C356 PolarHBondContact O-N 3.31Å
355P32.8Very low37Very low96 Ų96138.7 Ų138.762%0.62375%0.753SS**  trans-69.299.2175.5-19.432.9000112.2H357P355-H357 WeakPolarHBondContact CB-NE2 3.49Å; P355-H357 PolarHBondContact O-N 3.02Å; P355-H357 VanDerWaalsContact O-N 3.11Å
356C38Very low37.3Very low108 Ų108141.2 Ų141.273%0.7375%0.753SS**  trans-80.483.6174.4-69.50000111L354 W358L354-C356 PolarHBondContact O-N 3.31Å; C356-W358 PolarHBondContact O-N 3.46Å; C356-W358 VanDerWaalsContact O-N 3.17Å
357H37Very low37.2Very low160 Ų160140.9 Ų140.974%0.74175%0.751SS**  trans-85.874.9177.4-56.2-53000112.3P355P355-H357 WeakPolarHBondContact CB-NE2 3.49Å; P355-H357 PolarHBondContact O-N 3.02Å; P355-H357 VanDerWaalsContact O-N 3.11Å
358W30.1Very low37.2Very low233 Ų233136.7 Ų136.788%0.88374%0.743SS**  trans-95.7100.8161.9-67.288.8000108.5C356C356-W358 PolarHBondContact O-N 3.46Å; C356-W358 VanDerWaalsContact O-N 3.17Å
359V34.5Very low36.9Very low123 Ų123132.2 Ų132.275%0.74574%0.737SS**  trans-103.9104.1174-178.80000107.9P361V359-P361 VanDerWaalsContact O-CD 3.24Å; V359-P361 WeakPolarHBondContact O-CD 3.36Å
360C31.1Very low36.6Very low107 Ų107130.5 Ų130.572%0.72374%0.739SS**  trans-92.2103.5165.2-66.80000108V362C360-V362 PolarHBondContact O-N 2.74Å
361P34.8Very low36.4Very low112 Ų112134.2 Ų134.273%0.72775%0.754SS**  trans-72.399.9174.429.7-33.1000109.5V359 A363V359-P361 VanDerWaalsContact O-CD 3.24Å; V359-P361 WeakPolarHBondContact O-CD 3.36Å; P361-A363 PolarHBondContact O-N 3.48Å
362V39.1Very low36Very low146 Ų146134.7 Ų134.789%0.88576%0.755SS**  trans-77.498.5164.3-176.30000107C360C360-V362 PolarHBondContact O-N 2.74Å
363A42.6Very low35.3Very low71 Ų71142.3 Ų142.359%0.58777%0.765SS**  trans-114.4116.9177.100000109.6P361P361-A363 PolarHBondContact O-N 3.48Å
364E38.7Very low34.9Very low173 Ų173138 Ų13881%0.80877%0.765SS**  trans-87.7116.7173.5-170.6174.1-168.600109L366E364-L366 PolarHBondContact O-N 2.97Å
365V37.8Very low34.7Very low131 Ų131140.3 Ų140.379%0.79478%0.777SS**  trans-84.996.8179.4-178.80000108.8V367V365-V367 PolarHBondContact O-N 3.37Å
366L38.8Very low34.6Very low145 Ų145145 Ų14576%0.75979%0.79SS**PPolyproline II helixtrans-69.3118.3171.2-71.7170.1000110E364 P368E364-L366 PolarHBondContact O-N 2.97Å; L366-P368 WeakPolarHBondContact O-CD 3.35Å
367V33.8Very low34.3Very low132 Ų132144.7 Ų144.780%0.880%0.795SS**PPolyproline II helixtrans-71.2122.4169.3-179.80000108.4V365V365-V367 PolarHBondContact O-N 3.37Å
368P34.4Very low33.7Very low100 Ų100148.3 Ų148.365%0.64980%0.804SS**PPolyproline II helixtrans-66.4158.8175.2-20.734.3000112.8L366L366-P368 WeakPolarHBondContact O-CD 3.35Å
369D31.9Very low33.8Very low148 Ų148148.7 Ų148.779%0.79181%0.805SS**  trans79.682.9165.1-52.9-25.7000118.7
370S33Very low33.3Very low127 Ų127146.3 Ų146.389%0.88881%0.806SS**  trans-136.964.2145.150.40000111.3T372S370-T372 PolarHBondContact O-N 3.4Å
371Q34.1Very low33.1Very low168 Ų168152.3 Ų152.379%0.78581%0.813SS**  trans-71.6124173.4-74.6-163.12700112.1
372T32.1Very low33.1Very low120 Ų120156.2 Ų156.274%0.73682%0.822SS**  trans59110.2145.4600000119.7S370S370-T372 PolarHBondContact O-N 3.4Å
373R26.9Very low32.6Very low247 Ų247161.1 Ų161.193%0.93282%0.824SS**  -137.7151126-71.8-160176.1-173.2-0.4110.7
374P32.8Very low31.9Very low122 Ų122161.1 Ų161.179%0.79283%0.831SS**  trans-87.7161.5-163.4-7.227.1000114.1E376P374-E376 PolarHBondContact O-N 2.88Å
375L34.6Very low31.7Very low178 Ų178162.1 Ų162.193%0.93284%0.836SS**  trans-63.1123.5166.3-90.274.3000110.8
376E30.8Very low31.5Very low194 Ų194166 Ų16691%0.90784%0.842SS**  trans-107.1117.5159.3-75.5-172.6142.600110.4P374P374-E376 PolarHBondContact O-N 2.88Å
377A31.4Very low31.1Very low101 Ų101165.6 Ų165.684%0.83585%0.846SS**PPolyproline II helixtrans-81124.2-179.900000110.9
378Y25Very low30.9Very low236 Ų236169 Ų16993%0.92585%0.85SS**PPolyproline II helixtrans-101.7118.6164.5-130-94.4000111.4
379R30.8Very low30.4Very low241 Ų241168.9 Ų168.991%0.90986%0.858SS**PPolyproline II helixtrans-100.8129.2-176.1-170.5-162.3-63.8-121.35.7110.3
380G25.3Very low30.2Very low73 Ų73173.9 Ų173.975%0.75387%0.865SS**  trans123.5142.2170.700000112.3
381R26.2Very low29.9Very low234 Ų234172.4 Ų172.488%0.88386%0.86SS**  cis-152.5135.717.2175.9-168.8-64.3-92.43.3110.2
382Q34.2Very low29.5Very low193 Ų193171.8 Ų171.890%0.90286%0.858SS**  trans-67.4137.1170.9-81.2-176.9-17.900112.7
383R29.9Very low29.2Very low249 Ų249174 Ų17494%0.9486%0.864SS**  trans-168.2128.5155.6-113.7-176.5-163.9-116.53.4107.1
384G27.8Very low29.3Very low71 Ų71170.2 Ų170.273%0.73286%0.857SS**  cis179.4131.3-9.700000107.2
385E33.6Very low29Very low195 Ų195168.7 Ų168.791%0.91186%0.855SS**  trans-63.5143.2-173.4-62.5175.2122.500112.3
386K34.1Very low28.7Very low212 Ų212168.8 Ų168.892%0.92286%0.855SS**  trans-132.7115.2160.3-84.4-170.7174.7-1800110.6
387T29.8Very low28.5Very low137 Ų137162.6 Ų162.684%0.8484%0.844SS**  trans-79.1174.2177.4-18.20000112
388K29.4Very low28.9Very low203 Ų203163.8 Ų163.888%0.88384%0.843SS**  trans85.7139.5178.6-78.5-177.3173.8179.80115.6
389A25.4Very low28.9Very low98 Ų98157.6 Ų157.681%0.8183%0.834SS**  cis-145164.43.600000113.7
390R27.4Very low28.8Very low253 Ų253152.1 Ų152.196%0.95583%0.828SS**  trans-90.7126177.3170.8-168.2-175.7-170.53.4110.8
391A26.6Very low29Very low95 Ų95160 Ų16079%0.78584%0.835SS**  trans-169.3147.7161.600000107.6
392E24.4Very low29.1Very low156 Ų156155.3 Ų155.373%0.72983%0.831SS**  cis-152.1143.7-23.8-176.7179140.400105.8Q394E392-Q394 PolarHBondContact OE1-NE2 3.25Å
393L27.3Very low29Very low166 Ų166150.8 Ų150.887%0.86982%0.821SS**  trans-100.8104.2-174-145.5165.2000108.8
394Q27.9Very low29.1Very low168 Ų168145.1 Ų145.179%0.78582%0.817SS**  trans-129.3141.3167.2-66.5-160.233.100110.5E392E392-Q394 PolarHBondContact OE1-NE2 3.25Å
395A27.4Very low29Very low90 Ų90146.2 Ų146.274%0.74482%0.819SS**  trans-124.2147-162.800000112.1
396L28.1Very low28.8Very low179 Ų179140.7 Ų140.794%0.93781%0.806SS**  trans-154.2124.5151.8-147.468.1000109.1
397G27.4Very low28.6Very low65 Ų65140.5 Ų140.567%0.6781%0.806SS**  trans-97-150.917200000111.2
398P38.9Very low28.8Very low126 Ų126142.9 Ų142.982%0.81881%0.805SS**  cis-133.2173.2-15.340.4-25.4000114
399S25.6Very low28.8Very low106 Ų106138.9 Ų138.974%0.74180%0.8SS**  trans62.3114152.6-175.70000120.1
400T28.9Very low29Very low126 Ų126142.6 Ų142.677%0.77381%0.805SS**  -147.8119114.8-68.40000108.8V402T400-V402 HydrophobicContact CG2-CG2 4.36Å
401R29.4Very low29Very low239 Ų239142 Ų14290%0.90280%0.803SS**PPolyproline II helixtrans-83.9121.1167.7-74.1-164.5-87.6-160.3-4.5108.4
402V28.2Very low29.4Very low134 Ų134143.7 Ų143.781%0.81281%0.806SS**PPolyproline II helixtrans-93.5116.7168.5-178.90000107.8T400T400-V402 HydrophobicContact CG2-CG2 4.36Å
403S31.5Very low29.6Very low99 Ų99139.7 Ų139.769%0.69281%0.806SS**PPolyproline II helixtrans-76.6150.4174.7-61.10000110.9A405S403-A405 PolarHBondContact O-N 3.06Å
404P31.5Very low29.8Very low129 Ų129138.6 Ų138.684%0.83881%0.806SS**PPolyproline II helixtrans-65.5134.2176.2-16.230.2000111.2
405A27.2Very low30.1Very low94 Ų94136 Ų13678%0.77780%0.804SS**PPolyproline II helixtrans-72.1134.9172.300000110.4S403S403-A405 PolarHBondContact O-N 3.06Å
406A29.5Very low30.1Very low79 Ų79142.2 Ų142.265%0.65381%0.814SS**PPolyproline II helixtrans-74.3128.3-177.200000111.9
407F28.5Very low30Very low208 Ų208145.3 Ų145.391%0.91281%0.814SS**PPolyproline II helixtrans-70.9126.9164.6-76.4-95.2000109.8
408F33.5Very low30.1Very low188 Ų188146.1 Ų146.183%0.82581%0.814SS**PPolyproline II helixtrans-93.8122.1171.9-73.3-82.9000110.4
409P30.7Very low29.7Very low118 Ų118147 Ų14777%0.76681%0.812SS**PPolyproline II helixtrans-78.9126.3174.830.7-32.6000110.9
410L28.9Very low29.8Very low176 Ų176148.2 Ų148.292%0.92181%0.81SS**PPolyproline II helixtrans-71.2127.7171.7-69.4168.3000110.2
411R28.4Very low29.9Very low242 Ų242147.9 Ų147.991%0.91381%0.812SS**PPolyproline II helixtrans-95.3139.7173.5-78.9-172.3170.5-171.3-2.3111.4
412P35Very low29.7Very low130 Ų130140 Ų14084%0.84481%0.805SS**PPolyproline II helixtrans-93.1152.5177.635.1-33.9000114.3
413G27.2Very low30.2Very low71 Ų71139.7 Ų139.773%0.73281%0.806SS**  trans102142.6176.500000113.6
414V32.1Very low29.9Very low143 Ų143139.3 Ų139.387%0.86781%0.809SS**  cis-144.7-164.313-147.40000110.1
415P33.6Very low29.7Very low115 Ų115140.8 Ų140.875%0.74781%0.809SS**  -97.2161.7-127.640.9-27.1000116.2
416F27.2Very low29.8Very low219 Ų219144.5 Ų144.596%0.96181%0.81SS**  trans-81135170.1-73.8-82000112.5
417R27.4Very low29.7Very low244 Ų244150.2 Ų150.292%0.92182%0.821SS**  trans-108.1127.4173.6-158.5-178-158.1-117.97.6108.2
418A29.9Very low29.8Very low83 Ų83146.3 Ų146.369%0.68682%0.816SS**  trans-79.5145.1176.600000111.6
419L30.5Very low29.6Very low145 Ų145142.7 Ų142.776%0.75981%0.81SS**  -178.5134116.1-113.969.5000111.8
420D26.1Very low29.5Very low131 Ų131145.4 Ų145.470%0.70182%0.817SS**  trans71.4130.4137.9-58.6-11.3000125.9
421S31.5Very low29.4Very low119 Ų119143.8 Ų143.883%0.83281%0.809SS**  trans72.4125.2143.5-590000120.9
422G25Very low29.6Very low73 Ų73140.8 Ų140.875%0.75381%0.81SS**  trans-78.4-166.6165.900000113.3
423P39.2Very low29.3Very low127 Ų127137.9 Ų137.983%0.82580%0.803SS**  cis-142.7174.73541.9-23.5000118.1
424A24.7Very low29.4Very low91 Ų91142.5 Ų142.575%0.75281%0.81SS**  trans64.4124150.400000121.4
425L28.4Very low29.2Very low160 Ų160141.6 Ų141.684%0.83881%0.81SS**  -165.5151114.2-101.4168.3000112.5
426Q29Very low28.9Very low173 Ų173141.6 Ų141.681%0.80881%0.814SS**  trans-74.8155.6-160.9-58.3157.62.600115.3
427F26.4Very low29.2Very low199 Ų199137.2 Ų137.287%0.87381%0.807SS**  trans-126140.8153.8-73.6-74.5000110.3
428P31.5Very low29.3Very low126 Ų126131.1 Ų131.182%0.81880%0.802SS**  trans-87.8146.1-170.433.9-35.3000114.1
429T28.2Very low29.2Very low112 Ų112137.3 Ų137.369%0.68781%0.814SS**  trans-73.4137.9175.2-36.60000112.3N431T429-N431 WeakPolarHBondContact CG2-ND2 3.41Å
430L29.6Very low29.2Very low175 Ų175141.5 Ų141.592%0.91682%0.819SS**  trans-131.7107154.2-76.3178.5000110
431N27.3Very low29.6Very low142 Ų142140.9 Ų140.976%0.75983%0.825SS**  trans-89133.3165.4-73.5-77.1000108.7T429T429-N431 WeakPolarHBondContact CG2-ND2 3.41Å
432L31.7Very low29.9Very low179 Ų179144.4 Ų144.494%0.93783%0.825SS**  trans-126.9125.6155.4-126.278.8000107.8
433G28.3Very low30.4Very low68 Ų68148.7 Ų148.770%0.70183%0.83SS**  trans-97.4145.6-16700000115
434L30.6Very low30.1Very low168 Ų168148.5 Ų148.588%0.8883%0.832SS**  trans39.3120135.3-64.1165.9000119
435S28.1Very low30.5Very low124 Ų124151.6 Ų151.687%0.86784%0.835SS**  -178129.3100.1-74.80000111.6
436S27.3Very low30.7Very low116 Ų116149.8 Ų149.881%0.81183%0.833SS**  trans-123.7141.1166.650.90000110.1
437P33.5Very low30.6Very low126 Ų126147.4 Ų147.482%0.81883%0.826SS**  trans-81.5151.4-171.532.5-35.2000112.7
438S27.7Very low30.7Very low116 Ų116143.2 Ų143.281%0.81182%0.821SS**  trans-79.5128.2-178.142.80000112.7
439F29.3Very low30.7Very low214 Ų214145.7 Ų145.794%0.93981%0.814SS**  trans-122.7131.3158.3-107.8-92.6000110.8
440R30Very low31Very low233 Ų233147 Ų14788%0.87982%0.815SS**  trans-111.6105.2-168.3-175.7-165.7-158.5-167.910.1108.9
441S33.4Very low31Very low117 Ų117148 Ų14882%0.81881%0.807SS**  trans-124.4142.1165.456.80000110.1
442K38.5Very low31.1Very low193 Ų193150 Ų15084%0.83981%0.809SS**  trans-95.4113-174.8-64.9176.1177.9179.10109.4
443L36.2Very low31Very low163 Ų163148.4 Ų148.485%0.85380%0.801SS**  trans-138125.5156.8-72176.7000108.4
444S31.5Very low31.3Very low123 Ų123150.9 Ų150.986%0.8680%0.803SS**  trans-89.5113.217747.60000109.7
445L33.8Very low31.3Very low156 Ų156148.7 Ų148.782%0.81780%0.796SS**  trans-118146169.6-75.2162.2000108.9
446P33.5Very low31.4Very low123 Ų123151.3 Ų151.380%0.79979%0.794SS**  trans-73.1142-168.127.6-34.3000114S448P446-S448 PolarHBondContact O-N 3.19Å
447D26.6Very low31.4Very low122 Ų122151 Ų15165%0.65279%0.792SS**  trans-79.690.6-173.3-173.729.6000112.2R449D447-R449 PolarHBondContact O-N 2.98Å; D447-R449 VanDerWaalsContact O-N 3.1Å; D447-R449 WeakPolarHBondContact OD2-CG 3.35Å; D447-R449 IonicContact OD2-CZ 3.78Å; D447-R449 IonicContact OD2-NE 2.93Å; D447-R449 PolarHBondContact OD2-NE 2.91Å; D447-R449 IonicContact OD2-NH2 3.28Å
448S28.4Very low31.2Very low112 Ų112151.5 Ų151.578%0.78379%0.793SS**  trans-82.376.9173.455.60000112.1P446 I450P446-S448 PolarHBondContact O-N 3.19Å; S448-I450 PolarHBondContact O-N 3.36Å
449R30.6Very low31.3Very low178 Ų178153.9 Ų153.967%0.67280%0.796SS**  trans-62.7100.8177.2-65.8179.2178.8-171.4-0.8113D447D447-R449 PolarHBondContact O-N 2.98Å; D447-R449 VanDerWaalsContact O-N 3.1Å; D447-R449 WeakPolarHBondContact OD2-CG 3.35Å; D447-R449 IonicContact OD2-CZ 3.78Å; D447-R449 IonicContact OD2-NE 2.93Å; D447-R449 PolarHBondContact OD2-NE 2.91Å; D447-R449 IonicContact OD2-NH2 3.28Å
450I34.7Very low31.5Very low138 Ų138149.1 Ų149.171%0.70879%0.786SS**  trans-107.598.8157.3-57.5-179.9000108S448 F452S448-I450 PolarHBondContact O-N 3.36Å; I450-F452 HydrophobicContact CG2-CD2 4.37Å; I450-F452 HydrophobicContact CG2-CE2 3.93Å; I450-F452 HydrophobicContact CG2-CZ 4.15Å
451R29.2Very low31.3Very low197 Ų197145.5 Ų145.574%0.74378%0.784SS**  trans-87.9106.6173.6-70.4-173177.6-157.4-1.2109.5L453R451-L453 PolarHBondContact O-N 3.02Å
452F29.6Very low31.3Very low185 Ų185145.9 Ų145.981%0.81178%0.781SS**  trans-71.2115.3160.5-65.7-83.7000108.8I450I450-F452 HydrophobicContact CG2-CD2 4.37Å; I450-F452 HydrophobicContact CG2-CE2 3.93Å; I450-F452 HydrophobicContact CG2-CZ 4.15Å
453L31.1Very low30.8Very low145 Ų145141.2 Ų141.276%0.75978%0.779SS**  trans-118.691.7166.5-81.3177.1000109.7R451 T455R451-L453 PolarHBondContact O-N 3.02Å; L453-T455 PolarHBondContact O-N 3.25Å; L453-T455 VanDerWaalsContact O-N 3.16Å
454T33.3Very low30.4Very low120 Ų120144 Ų14474%0.73678%0.778SS**  trans-61.6108.8167.2-40.10000109
455T30.3Very low30.1Very low122 Ų122143.4 Ų143.475%0.74877%0.774SS**  trans-128.7119.8166.8-36.10000108.6L453L453-T455 PolarHBondContact O-N 3.25Å; L453-T455 VanDerWaalsContact O-N 3.16Å
456H31.3Very low29.8Very low178 Ų178144.2 Ų144.282%0.82478%0.778SS**  trans-74.6126.7180-64-91.8000110.7
457S27Very low29.7Very low109 Ų109141.9 Ų141.976%0.76276%0.764SS**  trans-138.6100.9167.859.90000111
458V28.5Very low29.8Very low137 Ų137142 Ų14283%0.8377%0.772SS**  trans36.4111.1148.6-171.50000117.7P460V458-P460 WeakPolarHBondContact O-CD 3.35Å
459L31.5Very low30.5Very low167 Ų167145 Ų14587%0.87477%0.771SS**PPolyproline II helixtrans-56.2126.5162.5-86.8149.9000112
460P31.7Very low30.7Very low114 Ų114144.5 Ų144.574%0.7478%0.781SS**PPolyproline II helixtrans-87154.8150.334.3-29.1000111.1V458V458-P460 WeakPolarHBondContact O-CD 3.35Å
461D26.3Very low30.6Very low156 Ų156149.1 Ų149.183%0.83479%0.789SS**PPolyproline II helixtrans-68.5164.7-170-167.116.3000114.9A463D461-A463 PolarHBondContact O-N 2.83Å
462V34.4Very low31.1Very low125 Ų125145.3 Ų145.376%0.75879%0.79SS**  trans-64.2101.6-171.3177.70000112.6R464V462-R464 PolarHBondContact O-N 3.49Å
463A27.6Very low31.6Very low95 Ų95141.6 Ų141.679%0.78579%0.787SS**  trans-81.6112.4166.200000111D461D461-A463 PolarHBondContact O-N 2.83Å
464R27.8Very low32.2Very low222 Ų222138.2 Ų138.284%0.83878%0.78SS**  trans-62.6137.5176.6-64.1169.5172.2134.8-3.2111.7V462 L466V462-R464 PolarHBondContact O-N 3.49Å; R464-L466 PolarHBondContact O-N 3.46Å
465S25.3Very low32.7Very low110 Ų110144.2 Ų144.277%0.76979%0.789SS**  trans28.588.9152.361.60000116.6S467S465-S467 PolarHBondContact O-N 3.13Å
466L28Very low33.5Very low173 Ų173145.4 Ų145.491%0.90678%0.78SS**  trans-70.7101.5163.5-70.1174.7000109.1R464R464-L466 PolarHBondContact O-N 3.46Å
467S30.6Very low34.5Very low74 Ų74141.3 Ų141.352%0.51777%0.769SS.*  trans-54.4139.4160.755.40000109.4S465 K469S465-S467 PolarHBondContact O-N 3.13Å; S467-K469 VanDerWaalsContact C-N 3.28Å; S467-K469 PolarHBondContact O-N 2.85Å
468P29.1Very low35.6Very low125 Ų125141.6 Ų141.681%0.81277%0.771SS**  trans-68.787.9174.229.3-34.1000109.8
469K42.2Very low37.2Very low175 Ų175138.2 Ų138.276%0.76176%0.764SS**  trans-87.3141.3162.7-72.2-173.1174.9-172.10107.7S467S467-K469 VanDerWaalsContact C-N 3.28Å; S467-K469 PolarHBondContact O-N 2.85Å
470L35.3Very low37.9Very low168 Ų168137.1 Ų137.188%0.8875%0.748SS**  trans75.887.3179.2-50.7165.6000113.9
471W32.6Very low39.9Very low234 Ų234135.9 Ų135.989%0.88673%0.733SS**  trans-67.2132.7153.9-72.885.7000108.8S473W471-S473 PolarHBondContact O-N 3.25Å
472P39.5Very low41.7Very low117 Ų117130.6 Ų130.676%0.7671%0.714SS**  trans-69.9103.4176.4-18.332000111.4A474P472-A474 PolarHBondContact O-N 2.93Å; P472-A474 VanDerWaalsContact O-N 3.14Å
473S40.4Very low43.1Very low108 Ų108130.2 Ų130.276%0.75570%0.704SS**  trans37.462.7151.964.90000117.6W471 R475W471-S473 PolarHBondContact O-N 3.25Å; S473-R475 PolarHBondContact O-N 2.91Å
474A43.7Very low44.5Very low73 Ų73127.3 Ų127.360%0.60368%0.681SS**  trans-68.4117.5145.100000106.8P472 W476P472-A474 PolarHBondContact O-N 2.93Å; P472-A474 VanDerWaalsContact O-N 3.14Å; A474-W476 PolarHBondContact O-N 3Å; A474-W476 VanDerWaalsContact O-N 3.08Å
475R44.2Very low46.2Very low246 Ų246123.5 Ų123.593%0.92867%0.673SS**  trans-72.6101.4169.3-70.1-167.8-175.7-159.43.2107.3S473S473-R475 PolarHBondContact O-N 2.91Å
476W46.6Very low48Very low148 Ų148124.4 Ų124.456%0.56167%0.668SS**PPolyproline II helixtrans-60.2151.8167.4-62.8103.2000109.4A474 S478A474-W476 PolarHBondContact O-N 3Å; A474-W476 VanDerWaalsContact O-N 3.08Å; W476-S478 PolarHBondContact O-N 3.47Å
477P52.1Low49.4Very low92 Ų92120.5 Ų120.560%0.59765%0.648SS**PPolyproline II helixtrans-54.3128.7164.2-22.133.9000108.7G479 W480P477-G479 PolarHBondContact O-N 3.07Å; P477-W480 PolarHBondContact O-N 2.83Å
478S49.6Very low51Low115 Ų115118.9 Ų118.980%0.80464%0.642SS**THydrogen-bonded Turntrans-55.4124.8-17154.40000111.9W476W476-S478 PolarHBondContact O-N 3.47Å
479G63Low52.5Low65 Ų65119.6 Ų119.667%0.6764%0.635SS**THydrogen-bonded Turntrans113.9-10.3-178.900000114.6P477 E481P477-G479 PolarHBondContact O-N 3.07Å; G479-E481 VanDerWaalsContact CA-OE2 3.32Å; G479-E481 WeakPolarHBondContact CA-OE2 3.3Å; G479-E481 PolarHBondContact N-OE2 3.29Å
480W46.1Very low53.3Low145 Ų145117.2 Ų117.255%0.54963%0.63SS.*  trans-98.10.3-179.9-70.182.5000114.1P477 G482 E483 A484P477-W480 PolarHBondContact O-N 2.83Å; W480-G482 VanDerWaalsContact C-N 3.35Å; W480-G482 PolarHBondContact O-N 3.49Å; W480-E483 HydrophobicContact CE3-CB 4.44Å; W480-E483 VanDerWaalsContact CZ3-OE2 3.31Å; W480-E483 WeakPolarHBondContact CZ3-OE2 3.49Å; W480-E483 PolarHBondContact O-N 3.45Å; W480-A484 PolarHBondContact O-N 3.17Å; W480-A484 VanDerWaalsContact O-N 3.11Å
481E73.6Confident53.6Low88 Ų88117.4 Ų117.441%0.41162%0.619SS.*Hα-helixtrans-60.6-41.9-177.4-64.178-172.500112.2G479 E483 A484 E485G479-E481 VanDerWaalsContact CA-OE2 3.32Å; G479-E481 WeakPolarHBondContact CA-OE2 3.3Å; G479-E481 PolarHBondContact N-OE2 3.29Å; E481-E483 PolarHBondContact O-N 3.38Å; E481-A484 PolarHBondContact O-N 3.03Å; E481-E485 PolarHBondContact O-N 3.37Å
482G64.8Low54.5Low44 Ų44111 Ų11145%0.45461%0.606SS.*Hα-helixtrans-67.5-32.5179.100000113.9W480 L486W480-G482 VanDerWaalsContact C-N 3.35Å; W480-G482 PolarHBondContact O-N 3.49Å; G482-L486 PolarHBondContact O-N 3.35Å; G482-L486 VanDerWaalsContact O-N 3.07Å
483E62.2Low54.7Low117 Ų117108.5 Ų108.555%0.54760%0.601SS.*Hα-helixtrans-74.2-34.8174.4-66.6-155.8-178.900111.9W480 E481 E485 L486 L487W480-E483 HydrophobicContact CE3-CB 4.44Å; W480-E483 VanDerWaalsContact CZ3-OE2 3.31Å; W480-E483 WeakPolarHBondContact CZ3-OE2 3.49Å; W480-E483 PolarHBondContact O-N 3.45Å; E481-E483 PolarHBondContact O-N 3.38Å; E483-E485 VanDerWaalsContact C-N 3.33Å; E483-L486 PolarHBondContact O-N 3.14Å; E483-L487 WeakPolarHBondContact O-CB 3.17Å; E483-L487 WeakPolarHBondContact O-CG 3.48Å; E483-L487 PolarHBondContact O-N 3.23Å
484A58.2Low54.8Low35 Ų35113.7 Ų113.729%0.28960%0.604SS.*Hα-helixtrans-64.2-37.5173.200000112.1W480 E481 G488W480-A484 PolarHBondContact O-N 3.17Å; W480-A484 VanDerWaalsContact O-N 3.11Å; E481-A484 PolarHBondContact O-N 3.03Å; A484-G488 PolarHBondContact O-N 3.14Å
485E63.2Low54.5Low142 Ų142116.1 Ų116.166%0.66461%0.612SS**Hα-helixtrans-65.5-46.4172-72.3-178.5171.500111.8E481 E483 L487 G488 E489E481-E485 PolarHBondContact O-N 3.37Å; E483-E485 VanDerWaalsContact C-N 3.33Å; E485-L487 VanDerWaalsContact C-N 3.31Å; E485-L487 PolarHBondContact O-N 2.93Å; E485-G488 WeakPolarHBondContact O-CA 3.33Å; E485-G488 PolarHBondContact O-N 2.91Å; E485-E489 PolarHBondContact O-N 2.92Å
486L63.7Low54Low128 Ų128114.8 Ų114.867%0.6761%0.607SS**Hα-helixtrans-60.4-39.4177.3-133.796.3000112.5G482 E483 E489 L490G482-L486 PolarHBondContact O-N 3.35Å; G482-L486 VanDerWaalsContact O-N 3.07Å; E483-L486 PolarHBondContact O-N 3.14Å; L486-E489 PolarHBondContact O-N 3.23Å; L486-L490 WeakPolarHBondContact O-CB 3.42Å; L486-L490 PolarHBondContact O-N 2.97Å
487L56.9Low53.2Low92 Ų92114.3 Ų114.348%0.48262%0.62SS.*Hα-helixtrans-64.3-44.5171.3-81.9162.1000111E483 E485 E489 L490 W491E483-L487 WeakPolarHBondContact O-CB 3.17Å; E483-L487 WeakPolarHBondContact O-CG 3.48Å; E483-L487 PolarHBondContact O-N 3.23Å; E485-L487 VanDerWaalsContact C-N 3.31Å; E485-L487 PolarHBondContact O-N 2.93Å; L487-E489 VanDerWaalsContact C-N 3.31Å; L487-E489 PolarHBondContact O-N 3.31Å; L487-L490 PolarHBondContact O-N 3.24Å; L487-W491 PolarHBondContact O-N 3.01Å; L487-W491 VanDerWaalsContact O-N 3.11Å
488G63.4Low52.3Low39 Ų39114.2 Ų114.240%0.40262%0.619SS.*Hα-helixtrans-51.2-50.6172.700000112.2A484 E485 W491 T492A484-G488 PolarHBondContact O-N 3.14Å; E485-G488 WeakPolarHBondContact O-CA 3.33Å; E485-G488 PolarHBondContact O-N 2.91Å; G488-W491 PolarHBondContact O-N 3.08Å; G488-T492 WeakPolarHBondContact O-CG2 3.49Å; G488-T492 PolarHBondContact O-N 3.1Å; G488-T492 VanDerWaalsContact O-N 3.15Å
489E62.1Low51.5Low141 Ų141114.8 Ų114.866%0.65962%0.62SS**Hα-helixtrans-62.8-47.7178.2-66.2-167.8157.600112.7E485 L486 L487 W491 T492 G493E485-E489 PolarHBondContact O-N 2.92Å; L486-E489 PolarHBondContact O-N 3.23Å; L487-E489 VanDerWaalsContact C-N 3.31Å; L487-E489 PolarHBondContact O-N 3.31Å; E489-W491 PolarHBondContact O-N 3.16Å; E489-T492 PolarHBondContact O-N 2.97Å; E489-T492 PolarHBondContact O-OG1 3.18Å; E489-G493 PolarHBondContact O-N 3.28Å
490L58.8Low49.9Very low125 Ų125120.5 Ų120.565%0.65463%0.63SS**Hα-helixtrans-55.8-37.2-179.5-177.666000112.4L486 L487L486-L490 WeakPolarHBondContact O-CB 3.42Å; L486-L490 PolarHBondContact O-N 2.97Å; L487-L490 PolarHBondContact O-N 3.24Å
491W41Very low49.2Very low171 Ų171116.9 Ų116.965%0.64864%0.637SS**Hα-helixtrans-81.5-28.3178.5-72.771.1000113.1L487 G488 E489 G493 R494L487-W491 PolarHBondContact O-N 3.01Å; L487-W491 VanDerWaalsContact O-N 3.11Å; G488-W491 PolarHBondContact O-N 3.08Å; E489-W491 PolarHBondContact O-N 3.16Å; W491-G493 VanDerWaalsContact C-N 3.31Å; W491-G493 PolarHBondContact O-N 3.15Å; W491-R494 PolarHBondContact O-N 2.87Å
492T50.6Low47.2Very low100 Ų100120.7 Ų120.761%0.61366%0.66SS**Hα-helixtrans-66-30.717463.30000113.5G488 E489 R494G488-T492 WeakPolarHBondContact O-CG2 3.49Å; G488-T492 PolarHBondContact O-N 3.1Å; G488-T492 VanDerWaalsContact O-N 3.15Å; E489-T492 PolarHBondContact O-N 2.97Å; E489-T492 PolarHBondContact O-OG1 3.18Å; T492-R494 VanDerWaalsContact C-N 3.29Å; T492-R494 PolarHBondContact O-N 3.12Å
493G44.1Very low45.4Very low65 Ų65126.9 Ų126.967%0.6768%0.677SS**THydrogen-bonded Turntrans-69.5-20.4178.800000114.8E489 W491E489-G493 PolarHBondContact O-N 3.28Å; W491-G493 VanDerWaalsContact C-N 3.31Å; W491-G493 PolarHBondContact O-N 3.15Å
494R42.9Very low43.9Very low216 Ų216129.5 Ų129.582%0.81569%0.694SS**THydrogen-bonded Turntrans-88.9-11.4-171.7-138.5175.6-169.9-175.63.2114.5W491 T492W491-R494 PolarHBondContact O-N 2.87Å; T492-R494 VanDerWaalsContact C-N 3.29Å; T492-R494 PolarHBondContact O-N 3.12Å
495T36.7Very low42.7Very low124 Ų124132.4 Ų132.476%0.76172%0.717SS**SBendtrans-11334.9-168.5-35.90000112.9
496R33.8Very low41.4Very low219 Ų219132.2 Ų132.283%0.82672%0.721SS**  trans-126.7103.7174.2-68.2-168.3-179.8-165.71.7111.8
497V30.4Very low39.9Very low137 Ų137137.9 Ų137.983%0.8373%0.733SS**PPolyproline II helixtrans-74125161.5179.10000107.8
498P33Very low38.7Very low90 Ų90142 Ų14258%0.58475%0.75SS**PPolyproline II helixtrans-76.9129.6175.330.1-32.2000110.1Q500P498-Q500 PolarHBondContact O-N 3.15Å
499P32.6Very low37.3Very low128 Ų128143 Ų14383%0.83176%0.76SS**PPolyproline II helixtrans-69.1126.1170.528.4-32.3000109.7G501P499-G501 PolarHBondContact O-N 3.13Å
500Q29.6Very low35.8Very low185 Ų185145.6 Ų145.686%0.86477%0.772SS**PPolyproline II helixtrans-71.2127170.1-84.391.427.500111.1P498P498-Q500 PolarHBondContact O-N 3.15Å
501G31.1Very low34.6Very low69 Ų69146.8 Ų146.871%0.71178%0.78SS**  trans9990.9151.800000117P499P499-G501 PolarHBondContact O-N 3.13Å
502L32.3Very low34.4Very low167 Ų167144 Ų14487%0.87478%0.784SS**  -174.1127.9117.8-99.2160.7000111.4
503E26.8Very low33.6Very low175 Ų175142.1 Ų142.182%0.81878%0.784SS**  trans39.4111.3159.4-69.8-68.1106.900120.1A505E503-A505 PolarHBondContact O-N 3.19Å
504L31.1Very low33.4Very low172 Ų172150 Ų15090%0.90179%0.793SS**  trans-79.6102.1169.4-175.594.5000110.2
505A32.3Very low32.7Very low95 Ų95150.7 Ų150.779%0.78580%0.796SS**  trans-79.2132166.200000110.7E503E503-A505 PolarHBondContact O-N 3.19Å
506D35.4Very low32.6Very low138 Ų138149.7 Ų149.774%0.73879%0.792SS**  trans-67.5126.8-168.8-167.9-0.6000113.9E508D506-E508 PolarHBondContact OD1-N 3.04Å
507R32.7Very low32.4Very low247 Ų247150.8 Ų150.893%0.93280%0.796SS**  trans-151.777.8155.9-92.4-146.1169.6-149.6-3.6110.9
508E31.6Very low32.7Very low180 Ų180150.5 Ų150.584%0.84180%0.795SS**  trans-49.3145.9156.1-170.267.5-96.600111.9D506D506-E508 PolarHBondContact OD1-N 3.04Å
509G34.3Very low32.7Very low59 Ų59152.3 Ų152.361%0.60880%0.804SS**  trans99.985.5166.800000116.7
510Q31.7Very low32.9Very low195 Ų195151.2 Ų151.291%0.91180%0.797SS**  -155133.6120.8-85.7-104.4-19.300107.4P512Q510-P512 WeakPolarHBondContact O-CD 3.44Å
511D32.8Very low33.7Very low151 Ų151147.5 Ų147.581%0.80779%0.789SS**  trans-106.4106.8-164.3-175.914.3000111.4G513D511-G513 VanDerWaalsContact C-N 3.32Å; D511-G513 PolarHBondContact O-N 3.05Å
512P36.6Very low34Very low113 Ų113150.8 Ų150.873%0.73480%0.795SS**  trans-91.565.1175.936.5-32.8000110.7Q510Q510-P512 WeakPolarHBondContact O-CD 3.44Å
513G33.6Very low34.4Very low60 Ų60150.5 Ų150.562%0.61979%0.793SS**  trans-64135.6169.500000111.9D511D511-G513 VanDerWaalsContact C-N 3.32Å; D511-G513 PolarHBondContact O-N 3.05Å
514R39.5Very low35.1Very low230 Ų230150.3 Ų150.387%0.86879%0.792SS**  trans8379.8169.2-161.7-170.6-61.1-95.1-1.2117.4
515W28Very low35.5Very low231 Ų231146.5 Ų146.588%0.87579%0.786SS**  trans-119.4122.7142.7-72.796.5000109.5R517W515-R517 PolarHBondContact O-N 3.03Å
516P35.7Very low36Very low102 Ų102148.9 Ų148.966%0.66279%0.791SS**  trans-68.8128.5170.828.7-31.6000109.3T518P516-T518 VanDerWaalsContact C-N 3.34Å; P516-T518 PolarHBondContact O-N 2.95Å
517R30.4Very low36.3Very low243 Ų243146.8 Ų146.892%0.91779%0.787SS**  trans-74.185.7174.1-75.6-178.2164.5-142.5-3.4110.3W515 T519W515-R517 PolarHBondContact O-N 3.03Å; R517-T519 PolarHBondContact O-N 3.23Å
518T35.8Very low36.9Very low131 Ų131143.3 Ų143.380%0.80478%0.781SS**  trans-70.3103.6159.116.70000108.5P516 P520P516-T518 VanDerWaalsContact C-N 3.34Å; P516-T518 PolarHBondContact O-N 2.95Å; T518-P520 WeakPolarHBondContact O-CD 3.37Å
519T32.4Very low37.1Very low127 Ų127140.1 Ų140.178%0.77977%0.774SS**PPolyproline II helixtrans-60.3120.1166.4-45.20000107.9R517R517-T519 PolarHBondContact O-N 3.23Å
520P36.4Very low37.2Very low105 Ų105144.5 Ų144.568%0.68278%0.78SS**PPolyproline II helixtrans-64.6134.9175.326.3-32.6000109T518T518-P520 WeakPolarHBondContact O-CD 3.37Å
521P46.5Very low37.4Very low107 Ų107146 Ų14670%0.69578%0.778SS**PPolyproline II helixtrans-62.8140.1174.926.8-33.3000109.7L523P521-L523 PolarHBondContact O-N 3.42Å; P521-L523 VanDerWaalsContact O-N 3.17Å
522V39Very low38Very low139 Ų139147.8 Ų147.884%0.84278%0.778SS**  trans-68.2112.6173.2177.70000107.8E524V522-E524 PolarHBondContact O-N 3.19Å
523L38.9Very low38.3Very low160 Ų160147.4 Ų147.484%0.83878%0.776SS**  trans-78.4113.7173.2-63.6176.3000108.9P521P521-L523 PolarHBondContact O-N 3.42Å; P521-L523 VanDerWaalsContact O-N 3.17Å
524E43Very low38.8Very low172 Ų172152.9 Ų152.980%0.80479%0.79SS**  trans-71.9140.8168.5-70-170.7136.200110.4V522 T526V522-E524 PolarHBondContact O-N 3.19Å; E524-T526 PolarHBondContact O-N 3.4Å; E524-T526 VanDerWaalsContact O-N 3.13Å
525A39.1Very low39.4Very low92 Ų92148.2 Ų148.276%0.7678%0.781SS**  trans-73.2104.7179.900000110.7S527A525-S527 VanDerWaalsContact C-N 3.33Å; A525-S527 PolarHBondContact O-N 3.19Å
526T42.1Very low40.7Very low145 Ų145143.4 Ų143.489%0.8977%0.772SS**  trans-80.3-6.4-177.149.70000114.7E524E524-T526 PolarHBondContact O-N 3.4Å; E524-T526 VanDerWaalsContact O-N 3.13Å
527S43.1Very low41.6Very low94 Ų94141 Ų14166%0.65776%0.757SS**  trans-126.2121.8177.159.10000112.3A525A525-S527 VanDerWaalsContact C-N 3.33Å; A525-S527 PolarHBondContact O-N 3.19Å
528Q43.7Very low42.7Very low174 Ų174137.8 Ų137.881%0.81375%0.752SS**  trans-105.3109.6170.1-64.9-179.215.900108.4M530Q528-M530 PolarHBondContact O-N 3.06Å
529V35.7Very low43.6Very low112 Ų112135.8 Ų135.868%0.67975%0.749SS**  trans-77.9103.1176.9-177.60000109.2W531V529-W531 HydrophobicContact CG1-CZ2 4.48Å; V529-W531 PolarHBondContact O-N 3.25Å
530M36.4Very low44.9Very low151 Ų151133.2 Ų133.274%0.74473%0.73SS**  trans-87.8103.1179.6-78.2-85.8-74.900111Q528 K532Q528-M530 PolarHBondContact O-N 3.06Å; M530-K532 PolarHBondContact O-N 3.24Å
531W37.1Very low46.4Very low228 Ų228138.2 Ų138.286%0.86474%0.741SS**  trans-81.4115168.7-65.493.3000110V529 P533V529-W531 HydrophobicContact CG1-CZ2 4.48Å; V529-W531 PolarHBondContact O-N 3.25Å; W531-P533 WeakPolarHBondContact O-CD 3.4Å
532K44.6Very low47.3Very low187 Ų187134.8 Ų134.881%0.81372%0.717SS**  trans-92.9107.8171.9-170.4179.6-178.6-175.30108.6M530 L534M530-K532 PolarHBondContact O-N 3.24Å; K532-L534 PolarHBondContact O-N 3.06Å
533P42.4Very low48.3Very low106 Ų106131 Ų13169%0.68870%0.699SS**  trans-63.913717526.8-33.2000109.7W531 L535W531-P533 WeakPolarHBondContact O-CD 3.4Å; P533-L535 PolarHBondContact O-N 3.17Å
534L45.8Very low49Very low175 Ų175129.1 Ų129.192%0.91670%0.697SS**  trans-84.411-176.3-69171.2000113.8K532K532-L534 PolarHBondContact O-N 3.06Å
535L51.9Low49.6Very low131 Ų131124.8 Ų124.869%0.68670%0.699SS**SBendtrans-105.5133.6-176.8-61.6178.1000111.1P533P533-L535 PolarHBondContact O-N 3.17Å
536L53.8Low50.2Low131 Ų131123.9 Ų123.969%0.68668%0.683SS**  trans-66.9126.8176.8-79.2162.4000110.3E538 A539L536-E538 PolarHBondContact O-N 3.26Å; L536-E538 VanDerWaalsContact O-N 3.1Å; L536-A539 PolarHBondContact O-N 3.38Å; L536-A539 VanDerWaalsContact O-N 3.15Å
537P55.6Low51.4Low51 Ų51120 Ų12033%0.33166%0.662SS.*G310 helixtrans-56.7-27.6-177.2-29.736.9000115.4A539 L540P537-A539 VanDerWaalsContact C-N 3.25Å; P537-A539 PolarHBondContact O-N 2.96Å; P537-L540 PolarHBondContact O-N 3Å
538E52.9Low52.8Low176 Ų176119.5 Ų119.582%0.82265%0.65SS**G310 helixtrans-70.9-15.5-178.7-71.7172.5125.700114.1L536L536-E538 PolarHBondContact O-N 3.26Å; L536-E538 VanDerWaalsContact O-N 3.1Å
539A56.2Low53.6Low89 Ų89118.3 Ų118.374%0.73664%0.638SS**G310 helixtrans-89-3.3177.800000113.9L536 P537L536-A539 PolarHBondContact O-N 3.38Å; L536-A539 VanDerWaalsContact O-N 3.15Å; P537-A539 VanDerWaalsContact C-N 3.25Å; P537-A539 PolarHBondContact O-N 2.96Å
540L59.4Low55Low73 Ų73113.8 Ų113.838%0.38261%0.611SS.*  trans-99.2107.3-172.5-79.9150.3000112P537 L542P537-L540 PolarHBondContact O-N 3Å; L540-L542 PolarHBondContact O-N 3.41Å
541K66.3Low55.4Low210 Ų210116.2 Ų116.291%0.91361%0.612SS**  trans-81.5110.2172.3-167.2177.9-176.4-177.50110.3
542L66.6Low56Low35 Ų35110 Ų11018%0.18360%0.603CS.*PPolyproline II helixtrans-78.1141.9179.7-56.5179.7000112.2L540 V546 M548 F557 S559L540-L542 PolarHBondContact O-N 3.41Å; L542-V546 HydrophobicContact CB-CB 4.49Å; L542-M548 HydrophobicContact CD1-CB 3.78Å; L542-M548 HydrophobicContact CD2-CB 4.34Å; L542-M548 HydrophobicContact CD2-CE 3.86Å; L542-F557 HydrophobicContact CD1-CB 4.31Å; L542-F557 WeakPolarHBondContact CD1-O 3.42Å; L542-S559 PolarHBondContact O-OG 2.85Å
543A60.1Low56.8Low58 Ų58104.1 Ų104.148%0.47958%0.582SS.*PPolyproline II helixtrans-63151.9171.500000111.9G545 V546 S559A543-G545 PolarHBondContact O-N 2.98Å; A543-V546 HydrophobicContact CB-CG2 4.09Å; A543-V546 WeakPolarHBondContact O-CB 3.38Å; A543-V546 PolarHBondContact O-N 2.92Å; A543-V546 VanDerWaalsContact O-N 3.07Å; A543-S559 VanDerWaalsContact O-CB 3.25Å; A543-S559 WeakPolarHBondContact O-CB 3.41Å
544P53Low57.7Low122 Ų122106.2 Ų106.279%0.79258%0.583SS**THydrogen-bonded Turntrans-52134176.7-27.535.9000112.6V546P544-V546 VanDerWaalsContact C-N 3.26Å; P544-V546 PolarHBondContact O-N 3.16Å
545G56.5Low58Low81 Ų81103.9 Ų103.984%0.83557%0.569SS**THydrogen-bonded Turntrans79.8-6.8-178.100000115.8A543A543-G545 PolarHBondContact O-N 2.98Å
546V51.3Low58.2Low73 Ų73102.1 Ų102.144%0.44256%0.56SS.*  trans-88.1136172.9-175.60000110L542 A543 P544 S559L542-V546 HydrophobicContact CB-CB 4.49Å; A543-V546 HydrophobicContact CB-CG2 4.09Å; A543-V546 WeakPolarHBondContact O-CB 3.38Å; A543-V546 PolarHBondContact O-N 2.92Å; A543-V546 VanDerWaalsContact O-N 3.07Å; P544-V546 VanDerWaalsContact C-N 3.26Å; P544-V546 PolarHBondContact O-N 3.16Å; V546-S559 PolarHBondContact O-N 3.44Å
547S66.3Low58.2Low64 Ų64100.2 Ų100.245%0.44855%0.546SS..EExtended strand (participates in β ladder)trans-124.5144170.462.20000111.7F557 S558S547-F557 CarbonylContact C-O 3.59Å; S547-F557 WeakPolarHBondContact CA-O 3.44Å; S547-F557 WeakPolarHBondContact CB-O 3.46Å; S547-S558 WeakPolarHBondContact CB-OG 3.24Å
548M72.4Confident58Low82 Ų82101.5 Ų101.540%0.40456%0.556SS.*EExtended strand (participates in β ladder)trans-125.3125.2-178.5-174-178.7-7400109.9L542 N550 F557L542-M548 HydrophobicContact CD1-CB 3.78Å; L542-M548 HydrophobicContact CD2-CB 4.34Å; L542-M548 HydrophobicContact CD2-CE 3.86Å; M548-N550 PolarHBondContact O-N 3.41Å; M548-F557 PolarHBondContact N-O 3.2Å; M548-F557 PolarHBondContact O-N 3.17Å
549W62.3Low57.8Low149 Ų14994.7 Ų94.756%0.56453%0.528SS*.EExtended strand (participates in β ladder)trans-82.6112.2174.2-178.5-91.6000110.6Q554 L556W549-Q554 WeakPolarHBondContact CH2-O 3.39Å; W549-Q554 HydrophobicContact CZ2-CB 4.16Å; W549-L556 HydrophobicContact CB-CD1 4.33Å; W549-L556 HydrophobicContact CE3-CB 3.99Å; W549-L556 HydrophobicContact CE3-CD1 4.21Å; W549-L556 HydrophobicContact CZ3-CB 4.24Å
550N63.7Low57.1Low18 Ų1894.7 Ų94.710%0.09653%0.528CS..EExtended strand (participates in β ladder)trans-88.2117.9175-174.5-4.4000110.7M548 S552 T553 Q554 M555 F557M548-N550 PolarHBondContact O-N 3.41Å; N550-S552 PolarHBondContact ND2-OG 3.47Å; N550-S552 PolarHBondContact O-N 3.27Å; N550-S552 PolarHBondContact OD1-N 2.78Å; N550-S552 PolarHBondContact OD1-OG 3.31Å; N550-T553 PolarHBondContact ND2-OG1 3.06Å; N550-Q554 VanDerWaalsContact O-CA 3.3Å; N550-Q554 WeakPolarHBondContact O-CA 3.5Å; N550-Q554 PolarHBondContact O-N 2.77Å; N550-M555 PolarHBondContact N-O 3.37Å; N550-F557 HydrophobicContact CB-CD2 3.85Å; N550-F557 HydrophobicContact CB-CE2 3.59Å
551R44.3Very low55.8Low202 Ų20296.9 Ų96.976%0.76255%0.545SS*.THydrogen-bonded Turntrans-72-21.5177.3-71.9-167.7179.9-164.63114.3
552S50.2Low54.1Low97 Ų9792.6 Ų92.668%0.67854%0.538SS*.THydrogen-bonded Turntrans-78.4-32.1178.667.60000112.9N550N550-S552 PolarHBondContact ND2-OG 3.47Å; N550-S552 PolarHBondContact O-N 3.27Å; N550-S552 PolarHBondContact OD1-N 2.78Å; N550-S552 PolarHBondContact OD1-OG 3.31Å
553T61.2Low52.4Low63 Ų6399.8 Ų99.839%0.38757%0.571SS.*THydrogen-bonded Turntrans-103.3-11.2178.559.50000113.8N550 M555N550-T553 PolarHBondContact ND2-OG1 3.06Å; T553-M555 PolarHBondContact O-N 3.2Å
554Q61.7Low51Low151 Ų151104.7 Ų104.771%0.70658%0.584SS**THydrogen-bonded Turntrans53.729.5-170.3-54.9-172.123.800113.6W549 N550W549-Q554 WeakPolarHBondContact CH2-O 3.39Å; W549-Q554 HydrophobicContact CZ2-CB 4.16Å; N550-Q554 VanDerWaalsContact O-CA 3.3Å; N550-Q554 WeakPolarHBondContact O-CA 3.5Å; N550-Q554 PolarHBondContact O-N 2.77Å
555M52.9Low50Low126 Ų126106.4 Ų106.462%0.62158%0.581SS**EExtended strand (participates in β ladder)trans-113.3145177.6-64.3-169.6-171.500111.5N550 T553N550-M555 PolarHBondContact N-O 3.37Å; T553-M555 PolarHBondContact O-N 3.2Å
556L55.7Low48.8Very low93 Ų93109 Ų10949%0.48758%0.576SS.*EExtended strand (participates in β ladder)trans-87110.8169.9-173.171.2000108.7W549 S558W549-L556 HydrophobicContact CB-CD1 4.33Å; W549-L556 HydrophobicContact CE3-CB 3.99Å; W549-L556 HydrophobicContact CE3-CD1 4.21Å; W549-L556 HydrophobicContact CZ3-CB 4.24Å; L556-S558 PolarHBondContact O-N 3.47Å
557F52.8Low48.2Very low92 Ų92113.5 Ų113.540%0.40459%0.589SS.*EExtended strand (participates in β ladder)trans-81.3115.4169.8-70.6-88000108.4L542 S547 M548 N550L542-F557 HydrophobicContact CD1-CB 4.31Å; L542-F557 WeakPolarHBondContact CD1-O 3.42Å; S547-F557 CarbonylContact C-O 3.59Å; S547-F557 WeakPolarHBondContact CA-O 3.44Å; S547-F557 WeakPolarHBondContact CB-O 3.46Å; M548-F557 PolarHBondContact N-O 3.2Å; M548-F557 PolarHBondContact O-N 3.17Å; N550-F557 HydrophobicContact CB-CD2 3.85Å; N550-F557 HydrophobicContact CB-CE2 3.59Å
558S51.8Low46.5Very low77 Ų77120 Ų12054%0.53861%0.613SS.*EExtended strand (participates in β ladder)trans-109.1139.1172.6-64.60000109.4S547 L556 A560S547-S558 WeakPolarHBondContact CB-OG 3.24Å; L556-S558 PolarHBondContact O-N 3.47Å; S558-A560 PolarHBondContact O-N 2.79Å
559S48.8Very low44.4Very low33 Ų33120 Ų12023%0.23163%0.634CS.*PPolyproline II helixtrans-59.4120.4171.3-169.10000109.8L542 A543 V546 V561L542-S559 PolarHBondContact O-OG 2.85Å; A543-S559 VanDerWaalsContact O-CB 3.25Å; A543-S559 WeakPolarHBondContact O-CB 3.41Å; V546-S559 PolarHBondContact O-N 3.44Å; S559-V561 PolarHBondContact O-N 2.8Å
560A42.7Very low42.8Very low90 Ų90118.2 Ų118.274%0.74464%0.644SS**PPolyproline II helixtrans-64121.3-178.100000110.3S558S558-A560 PolarHBondContact O-N 2.79Å
561V30.8Very low41.5Very low119 Ų119123.4 Ų123.472%0.72168%0.677SS**PPolyproline II helixtrans-65.4131.5163.5177.30000107S559 E563S559-V561 PolarHBondContact O-N 2.8Å; V561-E563 PolarHBondContact O-N 2.68Å
562P31.5Very low41Very low120 Ų120122.7 Ų122.778%0.77968%0.679SS**  trans-67.5101.3166.528-31.3000107.9Q564P562-Q564 PolarHBondContact O-N 3.49Å; P562-Q564 VanDerWaalsContact O-N 3.09Å
563E30.3Very low40.6Very low185 Ų185123.2 Ų123.286%0.86468%0.68SS**  trans-60.5113.6165.6-76.7-168.6143.100108.1V561 E565V561-E563 PolarHBondContact O-N 2.68Å; E563-E565 PolarHBondContact O-N 3.01Å
564Q30.6Very low39.4Very low161 Ų161126.3 Ų126.375%0.75270%0.702SS**  trans-69.1114.4170.9-179.7171-12.200107.8P562 D566P562-Q564 PolarHBondContact O-N 3.49Å; P562-Q564 VanDerWaalsContact O-N 3.09Å; Q564-D566 VanDerWaalsContact C-N 3.29Å; Q564-D566 PolarHBondContact O-N 2.94Å
565E32.9Very low37.9Very low159 Ų159125 Ų12574%0.74370%0.704SS**  trans-6484.6173.6-80.3-165.4108.700110.9E563 K567E563-E565 PolarHBondContact O-N 3.01Å; E565-K567 WeakPolarHBondContact OE1-CE 3.38Å; E565-K567 IonicContact OE1-NZ 3.02Å
566D30Very low37.2Very low136 Ų136126.9 Ų126.973%0.72771%0.711SS**  trans-96100.6159.3-81.3-33.2000109.2Q564 E568Q564-D566 VanDerWaalsContact C-N 3.29Å; Q564-D566 PolarHBondContact O-N 2.94Å; D566-E568 PolarHBondContact O-N 2.96Å
567K38.6Very low36.2Very low166 Ų166131 Ų13172%0.72273%0.728SS**  trans-78.6110.4175.3-66.1178.9-178.7173.90110.1E565E565-K567 WeakPolarHBondContact OE1-CE 3.38Å; E565-K567 IonicContact OE1-NZ 3.02Å
568E32.3Very low35.2Very low201 Ų201133.7 Ų133.794%0.93974%0.742SS**  trans-166.3144.2132.3-108.1162.6-179.300111.5D566D566-E568 PolarHBondContact O-N 2.96Å
569G28.6Very low34.3Very low82 Ų82135.7 Ų135.785%0.84575%0.752SS**  trans-94.7152.9-155.100000116.5
570S27.5Very low33.5Very low112 Ų112141.4 Ų141.478%0.78378%0.779SS**  trans-152.4126.6152.1-173.20000111.1
571T36Very low33.3Very low127 Ų127146 Ų14678%0.77979%0.785SS**  trans-73119.3-173.3-57.20000113.5
572F35.3Very low33.5Very low186 Ų186146.7 Ų146.782%0.81679%0.789SS**  trans-151.6145.6149.3-72.2-65.9000111
573P40.7Very low33.5Very low108 Ų108144.3 Ų144.370%0.70179%0.787SS**PPolyproline II helixtrans-81.4155.3-178.533.7-35.4000112.7
574P35.4Very low34.1Very low129 Ų129140 Ų14084%0.83878%0.783SS**PPolyproline II helixtrans-71.6132.7176.230-33.8000111.1E576P574-E576 PolarHBondContact O-N 3.19Å
575V31.6Very low34.9Very low124 Ų124138.3 Ų138.375%0.75279%0.786SS**PPolyproline II helixtrans-77.5119.1170.3171.10000108.8Q577V575-Q577 PolarHBondContact O-N 2.84Å
576E38Very low35Very low165 Ų165140 Ų14077%0.77179%0.791SS**PPolyproline II helixtrans-59.5119.3167.5-66.5-175.6136.100109.9P574P574-E576 PolarHBondContact O-N 3.19Å
577Q33.8Very low35.9Very low180 Ų180139.7 Ų139.784%0.84180%0.796SS**  trans-103.5109.7164.8-67.9-167.510.900108.8V575V575-Q577 PolarHBondContact O-N 2.84Å
578H31.7Very low36.1Very low148 Ų148147 Ų14769%0.68582%0.819SS**  trans-64.6149.9-179.9-61.4-59.8000112.4I580H578-I580 PolarHBondContact O-N 3.23Å
579P32.4Very low36.3Very low118 Ų118144.4 Ų144.477%0.76681%0.813SS**  trans-62130.5171.7-19.631.8000111.6Q581P579-Q581 PolarHBondContact O-N 2.98Å; P579-Q581 VanDerWaalsContact O-N 3.13Å
580I33.9Very low36.7Very low153 Ų153147.6 Ų147.679%0.78581%0.812SS**  trans-69.1109.8173.1-63174.4000108.7H578H578-I580 PolarHBondContact O-N 3.23Å
581Q36.8Very low37.2Very low188 Ų188149.6 Ų149.688%0.87981%0.813SS**  trans-77.3120.7169-63.9-175.123.600110P579P579-Q581 PolarHBondContact O-N 2.98Å; P579-Q581 VanDerWaalsContact O-N 3.13Å
582T35.6Very low37.3Very low132 Ų132150.9 Ų150.981%0.8182%0.815SS**  trans-113.365.2173.1-36.10000110.6
583G32.6Very low37.4Very low70 Ų70148.8 Ų148.872%0.72282%0.815SS**PPolyproline II helixtrans-74.8130.8169.100000111.2
584A41.1Very low37.2Very low95 Ų95151.5 Ų151.579%0.78582%0.823SS**PPolyproline II helixtrans-72.1133.8178.400000111.8
585P48Very low37.3Very low126 Ų126153.1 Ų153.182%0.81882%0.822SS**PPolyproline II helixtrans-74.8131.4174.129.7-32.7000111.1
586K34.7Very low37.7Very low195 Ų195155.3 Ų155.385%0.84883%0.827SS**PPolyproline II helixtrans-68.4149.3170.7-76.9179.7175.9177.50111
587P50.3Low37.7Very low128 Ų128154.5 Ų154.583%0.83183%0.832SS**PPolyproline II helixtrans-68.4154.3175.730.1-35.4000112
588R41.7Very low38.1Very low321 Ų321152.2 Ų152.2100%1.21183%0.831SS**  trans-114.70162.8-97.9-170.3173.1-168.4-1.3108.8

Retrieved 588 of 588 residues in 1625.1 ms (Link to these results)