A0A087WTS4_HUMAN Loading...

FKBP prolyl isomerase 1A

AlphaFold DB , UniProt , Accession A0A087WTS4, Species HUMAN (Homo sapiens, Human), Gene FKBP1A, Length 97 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
1M58.8Low75.2Confident229 Ų229123.7 Ų123.7100%1.12874%0.742SS**  0109.40-60-64.4-8300105.5
2G61.6Low75.9Confident80 Ų80121.6 Ų121.683%0.82572%0.723SS**PPolyproline II helixtrans-93.3151-179.500000110.5
3V72.7Confident76.4Confident85 Ų85116.5 Ų116.552%0.51571%0.712SS.*PPolyproline II helixtrans-95.5127.6169.5174.30000108V5 D89V3-V5 HydrophobicContact CG1-CG2 3.99Å; V3-D89 HydrophobicContact CB-CB 3.98Å; V3-D89 HydrophobicContact CG2-CB 3.63Å
4Q69.8Low76.7Confident168 Ų168124.2 Ų124.279%0.78572%0.722SS**PPolyproline II helixtrans-85.8126.9169.2-173.3175.273.100108.1
5V76.9Confident77Confident84 Ų84123.3 Ų123.351%0.50972%0.719SS.*  trans-116.3118.6-179.4-177.10000108.4V3 L90V3-V5 HydrophobicContact CG1-CG2 3.99Å; V5-L90 HydrophobicContact CG2-CD2 3.9Å
6E77.2Confident77.3Confident155 Ų155124.3 Ų124.372%0.72471%0.712SS**  trans-111.7134.7171.2-64.8-169.5164.200109.8I8E6-I8 PolarHBondContact O-N 3.2Å
7T78.5Confident77.5Confident113 Ų113122.4 Ų122.469%0.69371%0.705SS**  trans-87.2107.2179-59.80000109.5S9T7-S9 WeakPolarHBondContact CG2-O 3.39Å
8I85.1Confident77.6Confident168 Ų168124.1 Ų124.186%0.86270%0.703SS**SBendtrans-70.7-40.1177.4-59.1168.5000111E6E6-I8 PolarHBondContact O-N 3.2Å
9S80.8Confident77.5Confident91 Ų91130.3 Ų130.364%0.63671%0.714SS**SBendtrans-147133.6175.9-66.10000109.1T7 G11T7-S9 WeakPolarHBondContact CG2-O 3.39Å; S9-G11 PolarHBondContact O-N 3.05Å
10P81.1Confident77.5Confident120 Ų120127.3 Ų127.378%0.77971%0.714SS**  trans-66.6136.5-178.527.6-33.5000110.4
11G84.9Confident77Confident68 Ų68126.2 Ų126.270%0.70170%0.704SS**  trans-78.3-161.9167.800000112.2S9 G13S9-G11 PolarHBondContact O-N 3.05Å; G11-G13 PolarHBondContact O-N 3.37Å
12D83.4Confident77.6Confident98 Ų98119.8 Ų119.852%0.52468%0.678SS.*  trans-71.7-12.4175.966.5-43.1000113.7R14 T15D12-R14 PolarHBondContact O-N 3.01Å; D12-T15 WeakPolarHBondContact OD2-CB 3.1Å; D12-T15 PolarHBondContact OD2-N 2.9Å; D12-T15 PolarHBondContact OD2-OG1 3.35Å
13G82.2Confident78.1Confident56 Ų56118 Ų11858%0.57765%0.652SS**SBendtrans64.910.2174.700000114.5G11 F16G11-G13 PolarHBondContact O-N 3.37Å; G13-F16 WeakPolarHBondContact O-CE2 2.98Å
14R80.8Confident78.2Confident224 Ų224119.6 Ų119.685%0.84566%0.662SS**SBendtrans-126.5-37.5-174.4-68.8176.8178.4-172.5-0111.7D12 F16D12-R14 PolarHBondContact O-N 3.01Å; R14-F16 WeakPolarHBondContact O-CD2 3.37Å
15T81.3Confident78.4Confident110 Ų110114.5 Ų114.568%0.67564%0.642SS**  trans-93.6111.1-179.7-50.40000110D12D12-T15 WeakPolarHBondContact OD2-CB 3.1Å; D12-T15 PolarHBondContact OD2-N 2.9Å; D12-T15 PolarHBondContact OD2-OG1 3.35Å
16F82.2Confident78.3Confident139 Ų139117.7 Ų117.761%0.6165%0.651SS**  trans-115.3139.6176.1-62.1-85.5000110.2G13 R14G13-F16 WeakPolarHBondContact O-CE2 2.98Å; R14-F16 WeakPolarHBondContact O-CD2 3.37Å
17P79.7Confident77.8Confident93 Ų93113.5 Ų113.560%0.60463%0.629SS**PPolyproline II helixtrans-66135.4178.229-35.3000110.8C23P17-C23 WeakPolarHBondContact CB-SG 3.46Å
18K80.4Confident77.4Confident153 Ų153114.4 Ų114.467%0.66563%0.634SS**PPolyproline II helixtrans-103.6157.2176.9-59.4179.1-179.41780111.1G20 Q21K18-G20 PolarHBondContact O-N 3.46Å; K18-Q21 HydrophobicContact CB-CG 4.24Å; K18-Q21 WeakPolarHBondContact O-CB 3.38Å; K18-Q21 PolarHBondContact O-N 3Å; K18-Q21 VanDerWaalsContact O-N 3.1Å
19R75.1Confident76.4Confident241 Ų241109.2 Ų109.291%0.90961%0.608SS**THydrogen-bonded Turntrans-55.2130.4175-173.6177.5-179.7175.8-0.1110.9
20G77.6Confident75.3Confident70 Ų70112.5 Ų112.572%0.72261%0.614SS**THydrogen-bonded Turntrans83.55.318000000114.8K18K18-G20 PolarHBondContact O-N 3.46Å
21Q66.4Low74.1Confident105 Ų105111.5 Ų111.549%0.49161%0.609SS.*  trans-96.8143.1171.8-64.9-174.2-43.300111.2K18K18-Q21 HydrophobicContact CB-CG 4.24Å; K18-Q21 WeakPolarHBondContact O-CB 3.38Å; K18-Q21 PolarHBondContact O-N 3Å; K18-Q21 VanDerWaalsContact O-N 3.1Å
22T72.2Confident72.4Confident95 Ų95110.2 Ų110.258%0.58360%0.595SS**  trans-83.2129.6171.9-59.30000110.6F82T22-F82 HydrophobicContact CG2-CD1 3.3Å; T22-F82 HydrophobicContact CG2-CE1 3.37Å; T22-F82 HydrophobicContact CG2-CG 4.28Å; T22-F82 HydrophobicContact CG2-CZ 4.38Å
23C71.1Confident70.9Confident41 Ų41110.4 Ų110.428%0.27760%0.604SS.*  trans-108.9145.6173.8-550000110.3P17 V25P17-C23 WeakPolarHBondContact CB-SG 3.46Å; C23-V25 HydrophobicContact CB-CG2 4.39Å
24V74.8Confident69.6Low120 Ų120116.7 Ų116.773%0.72762%0.619SS**  trans-105.4119171-178.80000107.6
25V75.8Confident68.4Low60 Ų60110.9 Ų110.936%0.36461%0.612SS.*  trans-127.6135.1-177.6-176.20000109.4C23 L83C23-V25 HydrophobicContact CB-CG2 4.39Å; V25-L83 HydrophobicContact CB-CD1 4.31Å; V25-L83 HydrophobicContact CG2-CD1 4.19Å
26H74Confident66.7Low151 Ų151110.5 Ų110.570%0.69960%0.603SS**  trans-98.2114.5165.4-65.5-84.3000107.8
27Y66.7Low65.2Low67 Ų67106.5 Ų106.526%0.26359%0.59SS.*  trans-116.8147174.769.4-86.4000109.7I40 L81Y27-I40 HydrophobicContact CD2-CD1 4.32Å; Y27-I40 HydrophobicContact CE1-CD1 4.36Å; Y27-I40 HydrophobicContact CE2-CD1 3.65Å; Y27-I40 HydrophobicContact CE2-CG1 3.8Å; Y27-I40 HydrophobicContact CE2-CG2 4.28Å; Y27-I40 VanDerWaalsContact OH-CG2 3.29Å; Y27-I40 WeakPolarHBondContact OH-CG2 3.49Å; Y27-L81 HydrophobicContact CE1-CD1 3.58Å; Y27-L81 WeakPolarHBondContact OH-CD1 3.12Å
28T69.1Low64.2Low132 Ų132106 Ų10681%0.8158%0.582SS**  trans-120.3118.9166.5-580000105.9
29D65.1Low63Low59 Ų59103.9 Ų103.932%0.31657%0.571SS.*  trans-85122.7173.8-168.3-102.2000108
30E56.4Low62.3Low161 Ų16194 Ų9475%0.75254%0.535SS*.  trans-86.9112.616458.8-168.9153.500106.9G32E30-G32 PolarHBondContact O-N 2.8Å
31C56.8Low61.3Low99 Ų9994.1 Ų94.167%0.66953%0.525SS*.  trans-69.573.2-177.9-179.30000110.3T37C31-T37 HydrophobicContact CB-CG2 4.4Å
32G49.3Very low60.9Low40 Ų4097.2 Ų97.241%0.41253%0.532SS..  trans-75.8119.9164.800000108.5E30 E34E30-G32 PolarHBondContact O-N 2.8Å; G32-E34 PolarHBondContact O-N 2.63Å
33S52.4Low60.2Low103 Ų10393.7 Ų93.772%0.7251%0.51SS*.THydrogen-bonded Turntrans-5114.7176.149.60000117.7S35S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.24Å
34E53.9Low59.6Low188 Ų18894 Ų9488%0.87951%0.512SS*.THydrogen-bonded Turntrans58.6-2.7150.7-64.7-169.2134.800121.4G32G32-E34 PolarHBondContact O-N 2.63Å
35S55.2Low58.6Low101 Ų10193.5 Ų93.571%0.70651%0.505SS*.THydrogen-bonded Turntrans-127-15.4178.571.50000117.2S33S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.24Å
36Q47.6Very low57.1Low103 Ų10399.4 Ų99.448%0.48152%0.521SS..SBendtrans-97.1-32.9-176.9-151.4168.133.900113.3D38 Y39Q36-D38 PolarHBondContact O-N 2.92Å; Q36-D38 VanDerWaalsContact O-N 3.08Å; Q36-Y39 PolarHBondContact O-N 2.93Å
37T50.5Low56Low54 Ų5495.4 Ų95.433%0.33151%0.509SS..Hα-helixtrans-59.6-19.4172.634.40000113.9C31 Y39 S41C31-T37 HydrophobicContact CB-CG2 4.4Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.31Å; T37-S41 WeakPolarHBondContact O-CB 3.21Å; T37-S41 PolarHBondContact O-N 2.98Å; T37-S41 PolarHBondContact O-OG 3.42Å
38D57.4Low55Low83 Ų8397.4 Ų97.444%0.44452%0.52SS..Hα-helixtrans-67.3-34.7-179-157.8-101.2000111.5Q36 R42Q36-D38 PolarHBondContact O-N 2.92Å; Q36-D38 VanDerWaalsContact O-N 3.08Å; D38-R42 WeakPolarHBondContact O-CB 3.36Å; D38-R42 WeakPolarHBondContact O-CD 3.39Å; D38-R42 WeakPolarHBondContact O-CG 3.48Å; D38-R42 PolarHBondContact O-N 3.14Å; D38-R42 WeakPolarHBondContact OD1-CD 3.29Å; D38-R42 IonicContact OD1-NE 3.88Å; D38-R42 IonicContact OD1-NH1 3.38Å; D38-R42 PolarHBondContact OD1-NH1 3.08Å
39Y56.2Low53.3Low109 Ų109100.9 Ų100.943%0.42752%0.519SS..Hα-helixtrans-74.1-50-172.1-170.3-98.9000112.8Q36 T37 S41 R42 L43 L85Q36-Y39 PolarHBondContact O-N 2.93Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.31Å; Y39-S41 VanDerWaalsContact C-N 3.35Å; Y39-R42 PolarHBondContact O-N 3.36Å; Y39-L43 WeakPolarHBondContact O-CB 3.42Å; Y39-L43 PolarHBondContact O-N 3.33Å; Y39-L85 HydrophobicContact CE1-CD1 3.85Å; Y39-L85 HydrophobicContact CE1-CD2 4.11Å; Y39-L85 HydrophobicContact CE1-CG 4.14Å; Y39-L85 WeakPolarHBondContact OH-CD1 3.11Å; Y39-L85 WeakPolarHBondContact OH-CG 3.48Å
40I59.3Low52Low33 Ų33100.2 Ų100.217%0.16952%0.522CS..Hα-helixtrans-67.4-38.6176-60.6-58.5000110.6Y27 R42 L43 C44Y27-I40 HydrophobicContact CD2-CD1 4.32Å; Y27-I40 HydrophobicContact CE1-CD1 4.36Å; Y27-I40 HydrophobicContact CE2-CD1 3.65Å; Y27-I40 HydrophobicContact CE2-CG1 3.8Å; Y27-I40 HydrophobicContact CE2-CG2 4.28Å; Y27-I40 VanDerWaalsContact OH-CG2 3.29Å; Y27-I40 WeakPolarHBondContact OH-CG2 3.49Å; I40-R42 PolarHBondContact O-N 3.1Å; I40-L43 PolarHBondContact O-N 3.33Å; I40-C44 WeakPolarHBondContact O-CB 3.2Å; I40-C44 PolarHBondContact O-N 3.04Å; I40-C44 PolarHBondContact O-SG 2.6Å
41S57.8Low51.1Low73 Ų7398.6 Ų98.651%0.5153%0.525SS..Hα-helixtrans-62.9-42.6176.6-61.20000111.7T37 Y39 L45T37-S41 WeakPolarHBondContact O-CB 3.21Å; T37-S41 PolarHBondContact O-N 2.98Å; T37-S41 PolarHBondContact O-OG 3.42Å; Y39-S41 VanDerWaalsContact C-N 3.35Å; S41-L45 WeakPolarHBondContact O-CB 3.13Å; S41-L45 PolarHBondContact O-N 3.12Å
42R57.1Low50.6Low169 Ų169103.1 Ų103.164%0.63853%0.528SS*.Hα-helixtrans-68.3-36.8176.1-74.1172.877.2-17412.4112.6D38 Y39 I40 L45 W46D38-R42 WeakPolarHBondContact O-CB 3.36Å; D38-R42 WeakPolarHBondContact O-CD 3.39Å; D38-R42 WeakPolarHBondContact O-CG 3.48Å; D38-R42 PolarHBondContact O-N 3.14Å; D38-R42 WeakPolarHBondContact OD1-CD 3.29Å; D38-R42 IonicContact OD1-NE 3.88Å; D38-R42 IonicContact OD1-NH1 3.38Å; D38-R42 PolarHBondContact OD1-NH1 3.08Å; Y39-R42 PolarHBondContact O-N 3.36Å; I40-R42 PolarHBondContact O-N 3.1Å; R42-L45 PolarHBondContact O-N 3.34Å; R42-W46 WeakPolarHBondContact O-CB 3.21Å; R42-W46 PolarHBondContact O-N 3.1Å
43L57.8Low50.3Low21 Ų21110.7 Ų110.711%0.1155%0.552CS.*Hα-helixtrans-65.8-46.8175.2-171.266.3000111.4Y39 I40 L45 W46 C47 L83Y39-L43 WeakPolarHBondContact O-CB 3.42Å; Y39-L43 PolarHBondContact O-N 3.33Å; I40-L43 PolarHBondContact O-N 3.33Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.01Å; L43-W46 HydrophobicContact CD1-CE3 4.37Å; L43-W46 WeakPolarHBondContact O-CB 3.42Å; L43-W46 PolarHBondContact O-N 3.29Å; L43-W46 VanDerWaalsContact O-N 3.12Å; L43-C47 PolarHBondContact O-N 3.49Å; L43-C47 PolarHBondContact O-SG 3.41Å; L43-L83 HydrophobicContact CD2-CD2 3.7Å
44C58.8Low49.7Very low49 Ų49111.7 Ų111.733%0.33155%0.545SS..Hα-helixtrans-61.4-41.8174-71.40000112I40 W46 C47 H48I40-C44 WeakPolarHBondContact O-CB 3.2Å; I40-C44 PolarHBondContact O-N 3.04Å; I40-C44 PolarHBondContact O-SG 2.6Å; C44-W46 VanDerWaalsContact C-N 3.26Å; C44-W46 PolarHBondContact O-N 3.25Å; C44-C47 PolarHBondContact O-N 2.99Å; C44-H48 PolarHBondContact O-N 3.12Å; C44-H48 VanDerWaalsContact O-N 3.12Å
45L53.6Low49Very low108 Ų108108.8 Ų108.857%0.56554%0.543SS*.Hα-helixtrans-63.8-32.4174.8-164.878.7000111.2S41 R42 L43 H48S41-L45 WeakPolarHBondContact O-CB 3.13Å; S41-L45 PolarHBondContact O-N 3.12Å; R42-L45 PolarHBondContact O-N 3.34Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.01Å; L45-H48 WeakPolarHBondContact CA-ND1 3.12Å; L45-H48 WeakPolarHBondContact CD1-CE1 2.88Å; L45-H48 VanDerWaalsContact CG-CE1 3.49Å; L45-H48 WeakPolarHBondContact CG-CE1 3.21Å; L45-H48 PolarHBondContact O-CE1 3.44Å; L45-H48 PolarHBondContact O-ND1 3.47Å
46W43.6Very low48.4Very low184 Ų184110.5 Ų110.570%0.69755%0.549SS*.Hα-helixtrans-74-42.2174.7-169.914.4000112.1R42 L43 C44 H48 W49 A50R42-W46 WeakPolarHBondContact O-CB 3.21Å; R42-W46 PolarHBondContact O-N 3.1Å; L43-W46 HydrophobicContact CD1-CE3 4.37Å; L43-W46 WeakPolarHBondContact O-CB 3.42Å; L43-W46 PolarHBondContact O-N 3.29Å; L43-W46 VanDerWaalsContact O-N 3.12Å; C44-W46 VanDerWaalsContact C-N 3.26Å; C44-W46 PolarHBondContact O-N 3.25Å; W46-H48 VanDerWaalsContact C-N 3.32Å; W46-H48 PolarHBondContact O-N 2.87Å; W46-W49 PolarHBondContact O-N 2.86Å; W46-W49 VanDerWaalsContact O-N 3.1Å; W46-A50 PolarHBondContact O-N 3.31Å
47C51Low48.2Very low68 Ų68111.6 Ų111.646%0.45956%0.563SS.*Hα-helixtrans-61.3-36178.5-65.90000113.5L43 C44 W49L43-C47 PolarHBondContact O-N 3.49Å; L43-C47 PolarHBondContact O-SG 3.41Å; C44-C47 PolarHBondContact O-N 2.99Å; C47-W49 VanDerWaalsContact C-N 3.32Å
48H45.8Very low47.6Very low108 Ų108115.1 Ų115.150%0.559%0.588SS.*Hα-helixtrans-75.9-18.4177.389.7-65.6000113.6C44 L45 W46C44-H48 PolarHBondContact O-N 3.12Å; C44-H48 VanDerWaalsContact O-N 3.12Å; L45-H48 WeakPolarHBondContact CA-ND1 3.12Å; L45-H48 WeakPolarHBondContact CD1-CE1 2.88Å; L45-H48 VanDerWaalsContact CG-CE1 3.49Å; L45-H48 WeakPolarHBondContact CG-CE1 3.21Å; L45-H48 PolarHBondContact O-CE1 3.44Å; L45-H48 PolarHBondContact O-ND1 3.47Å; W46-H48 VanDerWaalsContact C-N 3.32Å; W46-H48 PolarHBondContact O-N 2.87Å
49W33.9Very low46.9Very low205 Ų205120.4 Ų120.478%0.77761%0.61SS**Hα-helixtrans-100.1-18.3-179.2-100.947.7000115W46 C47 P51W46-W49 PolarHBondContact O-N 2.86Å; W46-W49 VanDerWaalsContact O-N 3.1Å; C47-W49 VanDerWaalsContact C-N 3.32Å; W49-P51 WeakPolarHBondContact O-CD 3.46Å
50A38Very low45.9Very low46 Ų46119.7 Ų119.738%0.3862%0.621SS.*SBendtrans-65.7125.1172.400000110W46 R52W46-A50 PolarHBondContact O-N 3.31Å; A50-R52 PolarHBondContact O-N 2.88Å
51P38.1Very low45.3Very low126 Ų126129.6 Ų129.682%0.81866%0.656SS**  trans-60106.3175-22.533.4000109.8W49 H53W49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-H53 PolarHBondContact O-N 2.96Å
52R45.2Very low44.4Very low194 Ų194133 Ų13373%0.73267%0.668SS**  trans-69.873.6178.7-79.5-168.9-83.3-173.9-8.1110.8A50 H54A50-R52 PolarHBondContact O-N 2.88Å; R52-H54 PolarHBondContact O-N 2.94Å; R52-H54 PolarHBondContact O-ND1 3.06Å
53H43.2Very low43.6Very low200 Ų200136.2 Ų136.293%0.92668%0.68SS**  trans-79.376.8167.3-135.8-66.8000109.1P51P51-H53 PolarHBondContact O-N 2.96Å
54H39.6Very low42.8Very low123 Ų123141.2 Ų141.257%0.56972%0.716SS**  trans-135.3136.616969-31.7000108.6R52R52-H54 PolarHBondContact O-N 2.94Å; R52-H54 PolarHBondContact O-ND1 3.06Å
55P38.7Very low41.6Very low127 Ų127142.3 Ų142.383%0.82574%0.735SS**  trans-71.2138.9-17229.1-31.5000110.2T57P55-T57 PolarHBondContact O-N 2.87Å
56T43.5Very low41Very low137 Ų137142.3 Ų142.384%0.8475%0.751SS**SBendtrans-64.696.6-175.546.80000111.7
57T43.5Very low40.7Very low126 Ų126139 Ų13977%0.77376%0.755SS**  trans-159.887.4148.8-61.50000108.9P55P55-T57 PolarHBondContact O-N 2.87Å
58C36.9Very low40.4Very low128 Ų128145.4 Ų145.487%0.86578%0.775SS**  trans-155.296.6152.2-92.10000106.7S60C58-S60 PolarHBondContact O-N 2.67Å
59H42.9Very low39.8Very low194 Ų194147 Ų14790%0.89879%0.793SS**  trans-63.6111.6170-92.3-92.3000109.2
60S35Very low39.9Very low94 Ų94140.6 Ų140.666%0.65779%0.791SS**  trans-132.1107.7151.759.90000108.7C58 L62C58-S60 PolarHBondContact O-N 2.67Å; S60-L62 VanDerWaalsContact C-N 3.29Å; S60-L62 PolarHBondContact O-N 3.24Å
61R47.9Very low40Very low241 Ų241147.1 Ų147.191%0.90982%0.815SS**  trans-61.793.2165.3-91.8179.1163.7-161.2-1.3107.8
62L39Very low40Very low146 Ų146147.4 Ų147.476%0.76482%0.815SS**  trans-100.887.7159.4-70.9173000107.6S60 C64S60-L62 VanDerWaalsContact C-N 3.29Å; S60-L62 PolarHBondContact O-N 3.24Å; L62-C64 PolarHBondContact O-N 3.32Å
63R39.4Very low39.8Very low236 Ų236141.7 Ų141.789%0.89182%0.816SS**  trans-80.596.7160.7-76.3-98.8-74.1-175.6-2.3106.2G65R63-G65 VanDerWaalsContact C-N 3.34Å; R63-G65 PolarHBondContact O-N 2.96Å
64C40.4Very low39.6Very low126 Ų126140.8 Ų140.885%0.85182%0.815SS**  trans-68.695.7164.9-67.80000108.2L62L62-C64 PolarHBondContact O-N 3.32Å
65G33.8Very low39.4Very low71 Ų71139.3 Ų139.373%0.73282%0.824SS**  trans-80.3119.9166.400000109R63 S67R63-G65 VanDerWaalsContact C-N 3.34Å; R63-G65 PolarHBondContact O-N 2.96Å; G65-S67 PolarHBondContact O-N 3.48Å
66A42.3Very low39.4Very low109 Ų109137.4 Ų137.490%0.90181%0.814SS**  trans-71.6115.1166.400000108.9
67S36.2Very low39Very low113 Ų113136 Ų13679%0.7981%0.809SS**  trans-120.2103.7158.458.20000108.5G65 T69G65-S67 PolarHBondContact O-N 3.48Å; S67-T69 PolarHBondContact O-N 2.89Å
68K44.4Very low39.1Very low203 Ų203134 Ų13488%0.88379%0.793SS**  trans-55.1121.1161.7-78-179.4161.9100.90107.7
69T32.8Very low39.2Very low142 Ų142131.8 Ų131.887%0.87178%0.78SS**  trans-175.5119.5142.4-69.60000109.1S67S67-T69 PolarHBondContact O-N 2.89Å
70G37.3Very low39.2Very low71 Ų71126.9 Ų126.973%0.73277%0.767SS**  trans63.2107.9140.500000121.4
71M39.1Very low39.7Very low182 Ų182124 Ų12490%0.89774%0.744SS**  trans52.8138.3143.6-78.217464.800122.5
72T38.6Very low39.2Very low133 Ų133119.6 Ų119.682%0.81673%0.732SS**SBendtrans91.3101.6158.2-42.60000116.7
73G40.5Very low39.3Very low73 Ų73114.7 Ų114.775%0.75371%0.706SS**  trans55.581.114900000117A75G73-A75 VanDerWaalsContact C-N 3.33Å; G73-A75 PolarHBondContact O-N 3.41Å
74M40.2Very low39.3Very low182 Ų182110.1 Ų110.190%0.89770%0.699SS**  trans-7486.2168.5-63.6-174.6-150.700110.2S76M74-S76 PolarHBondContact O-N 2.72Å
75A34.4Very low39.2Very low91 Ų91107.2 Ų107.275%0.75268%0.675SS**  trans-69.996.9160.300000107.7G73 S77G73-A75 VanDerWaalsContact C-N 3.33Å; G73-A75 PolarHBondContact O-N 3.41Å; A75-S77 PolarHBondContact O-N 3.49Å; A75-S77 VanDerWaalsContact O-N 3.08Å
76S38.8Very low39.5Very low88 Ų88107.7 Ų107.762%0.61567%0.665SS**  trans-74.997.9178.2-62.10000108.9M74 L78M74-S76 PolarHBondContact O-N 2.72Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.36Å
77S36.4Very low39.3Very low107 Ų107109.7 Ų109.775%0.74865%0.65SS**  trans-72.988.9170.2-168.70000109A75 S79A75-S77 PolarHBondContact O-N 3.49Å; A75-S77 VanDerWaalsContact O-N 3.08Å; S77-S79 PolarHBondContact O-N 3.2Å
78L44.9Very low39.4Very low84 Ų84113.3 Ų113.344%0.4465%0.646SS.*  trans-8683.6171.1-68175.8000108.5S76 L81S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.36Å; L78-L81 HydrophobicContact CB-CD1 3.85Å; L78-L81 HydrophobicContact CD1-CD1 3.99Å
79S39.1Very low39.4Very low82 Ų82107.3 Ų107.357%0.57362%0.623SS**  trans-67.9131.9166.678.10000108.8S77S77-S79 PolarHBondContact O-N 3.2Å
80S42.4Very low39.9Very low91 Ų91105.4 Ų105.464%0.63661%0.608SS**  trans77.377.4178.869.20000116
81L45Very low40Very low34 Ų34105.7 Ų105.718%0.17860%0.595CS.*  trans-118.1114.8161.7-73.7166.4000109.2Y27 L78 L83Y27-L81 HydrophobicContact CE1-CD1 3.58Å; Y27-L81 WeakPolarHBondContact OH-CD1 3.12Å; L78-L81 HydrophobicContact CB-CD1 3.85Å; L78-L81 HydrophobicContact CD1-CD1 3.99Å; L81-L83 PolarHBondContact O-N 3.42Å; L81-L83 VanDerWaalsContact O-N 3.14Å
82F37.7Very low40Very low148 Ų148101.1 Ų101.165%0.64958%0.579SS**  trans-65.8104.7172-72.4-101.3000107.8T22 D84T22-F82 HydrophobicContact CG2-CD1 3.3Å; T22-F82 HydrophobicContact CG2-CE1 3.37Å; T22-F82 HydrophobicContact CG2-CG 4.28Å; T22-F82 HydrophobicContact CG2-CZ 4.38Å; F82-D84 PolarHBondContact O-N 3.38Å
83L40.7Very low40.3Very low42 Ų42100.3 Ų100.322%0.2258%0.576CS.*  trans-88.399172.7-61.7-174.5000108.8V25 L43 L81 L85V25-L83 HydrophobicContact CB-CD1 4.31Å; V25-L83 HydrophobicContact CG2-CD1 4.19Å; L43-L83 HydrophobicContact CD2-CD2 3.7Å; L81-L83 PolarHBondContact O-N 3.42Å; L81-L83 VanDerWaalsContact O-N 3.14Å; L83-L85 HydrophobicContact CB-CD1 3.73Å; L83-L85 HydrophobicContact CD1-CD1 4.11Å; L83-L85 HydrophobicContact CD2-CD1 3.6Å; L83-L85 HydrophobicContact CG-CD1 3.97Å; L83-L85 PolarHBondContact O-N 3.08Å
84D39.4Very low40.6Very low141 Ų141102.9 Ų102.975%0.75457%0.572SS**  trans-86.160.5149.3-101.5-51.8000107.7F82F82-D84 PolarHBondContact O-N 3.38Å
85L40.2Very low41Very low64 Ų64101.9 Ų101.934%0.33557%0.567SS.*  trans-68.1133.8169.4-105.373000108.1Y39 L83 W87Y39-L85 HydrophobicContact CE1-CD1 3.85Å; Y39-L85 HydrophobicContact CE1-CD2 4.11Å; Y39-L85 HydrophobicContact CE1-CG 4.14Å; Y39-L85 WeakPolarHBondContact OH-CD1 3.11Å; Y39-L85 WeakPolarHBondContact OH-CG 3.48Å; L83-L85 HydrophobicContact CB-CD1 3.73Å; L83-L85 HydrophobicContact CD1-CD1 4.11Å; L83-L85 HydrophobicContact CD2-CD1 3.6Å; L83-L85 HydrophobicContact CG-CD1 3.97Å; L83-L85 PolarHBondContact O-N 3.08Å; L85-W87 PolarHBondContact O-N 3.24Å
86P39.8Very low41.7Very low82 Ų82103 Ų10353%0.53257%0.569SS.*  trans-61.4107.6171.525.6-30.8000107.5R88P86-R88 PolarHBondContact O-N 2.68Å
87W38.2Very low41.9Very low150 Ų150108.9 Ų108.957%0.56860%0.601SS**G310 helixtrans-49.7-9-177.384.5-74.2000115.9L85 D89 L90 V91L85-W87 PolarHBondContact O-N 3.24Å; W87-D89 PolarHBondContact O-N 2.97Å; W87-L90 PolarHBondContact O-N 3.48Å; W87-V91 HydrophobicContact CE3-CG2 3.75Å; W87-V91 HydrophobicContact CZ3-CB 4.15Å; W87-V91 HydrophobicContact CZ3-CG2 3.54Å
88R37.7Very low42.1Very low189 Ų189109 Ų10971%0.71359%0.593SS**G310 helixtrans-66.3-16.7-173.4-63.3-162.7132.5-85-3.9113.7P86P86-R88 PolarHBondContact O-N 2.68Å
89D44.7Very low42Very low77 Ų77110.3 Ų110.341%0.41260%0.601SS.*G310 helixtrans-101.6-0-177.3-68-40000114.2V3 W87V3-D89 HydrophobicContact CB-CB 3.98Å; V3-D89 HydrophobicContact CG2-CB 3.63Å; W87-D89 PolarHBondContact O-N 2.97Å
90L43.7Very low42.2Very low103 Ų103111.8 Ų111.854%0.53960%0.603SS.*SBendtrans-1102.1-177.9-68.7177.2000114.8V5 W87V5-L90 HydrophobicContact CG2-CD2 3.9Å; W87-L90 PolarHBondContact O-N 3.48Å
91V38.6Very low42.1Very low76 Ų76113.1 Ų113.146%0.46160%0.601SS.*SBendtrans-113114.6179.1178.10000110.3W87W87-V91 HydrophobicContact CE3-CG2 3.75Å; W87-V91 HydrophobicContact CZ3-CB 4.15Å; W87-V91 HydrophobicContact CZ3-CG2 3.54Å
92P39.1Very low42Very low86 Ų86118 Ų11856%0.55863%0.627SS**  trans-58.6138.4167.5-18.730000109.9D94P92-D94 PolarHBondContact O-N 2.96Å
93P45.3Very low42.3Very low116 Ų116116 Ų11675%0.75363%0.626SS**THydrogen-bonded Turntrans-65.3-4.2-173.925.1-33.7000115.3
94D46.7Very low42.4Very low127 Ų127121.3 Ų121.368%0.67966%0.655SS**THydrogen-bonded Turntrans-95.68.7-170.2-59.3-50.5000115.3P92P92-D94 PolarHBondContact O-N 2.96Å
95M48.5Very low42.6Very low161 Ų161119.8 Ų119.879%0.79365%0.647SS**SBendtrans-109.636.7176.8-65-68.3131.900112.7
96C49.4Very low42.8Very low116 Ų116124.4 Ų124.478%0.78467%0.673SS**  trans-130.974.1168.4-750000110
97T41.8Very low43.1Very low210 Ų210128.3 Ų128.3100%1.28869%0.686SS**  trans-143.30153.5-4.90000109.8

Retrieved 97 of 97 residues in 26.8 ms (Link to these results)