A0A087XIL7_POEFO Loading...

Guanylate cyclase activator 1C

AlphaFold DB , UniProt , Accession A0A087XIL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 209 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
1M41.3Very low40.6Very low248 Ų248118.2 Ų118.2100%1.22266%0.663SS**  0124.30-82.4178.7162.900107.5
2G40.2Very low41.6Very low80 Ų80115 Ų11583%0.82564%0.643SS**  trans75.8132.1-179.700000113.1
3S38Very low42.2Very low91 Ų91116.6 Ų116.664%0.63664%0.642SS**  cis-162112.19.249.20000107
4Y34.5Very low42.9Very low229 Ų229120.4 Ų120.490%0.89865%0.653SS**SBendtrans-121.515.4167.9-97.5-85.1000111.3
5S38.7Very low44.6Very low85 Ų85116.2 Ų116.259%0.59463%0.63SS**SBendtrans-94.2-13.9-179.5-150.90000113.2N7S5-N7 PolarHBondContact O-N 2.72Å
6S39.3Very low46.3Very low74 Ų74115.2 Ų115.252%0.51762%0.621SS.*THydrogen-bonded Turntrans-98.843.7-170.263.40000113.2D10S6-D10 VanDerWaalsContact C-OD2 3.29Å
7N43.5Very low47.9Very low110 Ų110116.8 Ų116.859%0.58862%0.624SS**THydrogen-bonded Turntrans-154.8-26.8-179.9-128.7-23.4000111.6S5 I11S5-N7 PolarHBondContact O-N 2.72Å; N7-I11 VanDerWaalsContact O-CD1 3.31Å; N7-I11 WeakPolarHBondContact O-CD1 3.31Å; N7-I11 VanDerWaalsContact O-CG1 3.23Å; N7-I11 WeakPolarHBondContact O-CG1 3.4Å; N7-I11 PolarHBondContact O-N 2.92Å
8L41.1Very low49.5Very low118 Ų118115.8 Ų115.862%0.61862%0.615SS**Hα-helixtrans-75.8-44.7174.5-84.1153.4000111.6L12L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 VanDerWaalsContact O-CG 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.03Å
9D44.6Very low50.8Low94 Ų94111.8 Ų111.850%0.50359%0.59SS.*Hα-helixtrans-70.9-38.2-179.8-61-33.1000111.4L12 E13D9-L12 PolarHBondContact O-N 3.31Å; D9-E13 WeakPolarHBondContact O-CB 3.3Å; D9-E13 WeakPolarHBondContact O-CG 3.06Å; D9-E13 PolarHBondContact O-N 2.69Å
10D41.4Very low52.3Low86 Ų86111.6 Ų111.646%0.4658%0.582SS.*Hα-helixtrans-71.5-34.7-177.9-60.6-52.9000113.4S6 E14S6-D10 VanDerWaalsContact C-OD2 3.29Å; D10-E14 PolarHBondContact O-N 3.22Å
11I43.8Very low53.5Low85 Ų85110.8 Ų110.844%0.43658%0.582SS.*Hα-helixtrans-74.1-36.8174.7-66.2171.6000110.4N7 D15N7-I11 VanDerWaalsContact O-CD1 3.31Å; N7-I11 WeakPolarHBondContact O-CD1 3.31Å; N7-I11 VanDerWaalsContact O-CG1 3.23Å; N7-I11 WeakPolarHBondContact O-CG1 3.4Å; N7-I11 PolarHBondContact O-N 2.92Å; I11-D15 VanDerWaalsContact O-CB 3.23Å; I11-D15 WeakPolarHBondContact O-CB 3.41Å; I11-D15 VanDerWaalsContact O-CG 3.26Å; I11-D15 PolarHBondContact O-N 3Å; I11-D15 VanDerWaalsContact O-N 3.14Å
12L52.7Low55Low80 Ų8099.8 Ų99.842%0.41953%0.527SS..Hα-helixtrans-69.2-36.4175.5-72.8168.9000111.8L8 D9 D15 M16L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 VanDerWaalsContact O-CG 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.03Å; D9-L12 PolarHBondContact O-N 3.31Å; L12-D15 PolarHBondContact O-N 2.87Å; L12-M16 WeakPolarHBondContact O-CB 3.35Å; L12-M16 PolarHBondContact O-N 3.37Å
13E49.5Very low56.8Low136 Ų13696.2 Ų96.264%0.63649%0.489SS*.Hα-helixtrans-67.3-41.6177.6-82.6-171.116300113.4D9 D15D9-E13 WeakPolarHBondContact O-CB 3.3Å; D9-E13 WeakPolarHBondContact O-CG 3.06Å; D9-E13 PolarHBondContact O-N 2.69Å; E13-D15 VanDerWaalsContact C-N 3.32Å
14E51.7Low58.9Low170 Ų17094.6 Ų94.679%0.79447%0.472SS*.Hα-helixtrans-68.5-31.2173.3-76.7-168164.500112.2D10D10-E14 PolarHBondContact O-N 3.22Å
15D68.9Low61Low57 Ų5788.9 Ų88.931%0.30545%0.449SS..Hα-helixtrans-82.5-29.8178.7-78.8-23.7000113.6I11 L12 E13 H17 H18 W19I11-D15 VanDerWaalsContact O-CB 3.23Å; I11-D15 WeakPolarHBondContact O-CB 3.41Å; I11-D15 VanDerWaalsContact O-CG 3.26Å; I11-D15 PolarHBondContact O-N 3Å; I11-D15 VanDerWaalsContact O-N 3.14Å; L12-D15 PolarHBondContact O-N 2.87Å; E13-D15 VanDerWaalsContact C-N 3.32Å; D15-H17 PolarHBondContact O-N 2.64Å; D15-H18 WeakPolarHBondContact O-CA 3.29Å; D15-H18 WeakPolarHBondContact O-CB 3.46Å; D15-H18 PolarHBondContact O-N 2.84Å; D15-W19 PolarHBondContact O-N 3.26Å
16M71.1Confident62.5Low100 Ų10087.8 Ų87.849%0.49343%0.434SS..Hα-helixtrans-66-40-172.5-158.6178.6-176.300111.4L12 H18 W19 Y20 F71L12-M16 WeakPolarHBondContact O-CB 3.35Å; L12-M16 PolarHBondContact O-N 3.37Å; M16-H18 VanDerWaalsContact C-N 3.33Å; M16-W19 PolarHBondContact O-N 3.17Å; M16-Y20 WeakPolarHBondContact O-CB 3.46Å; M16-Y20 PolarHBondContact O-N 2.65Å; M16-F71 HydrophobicContact CE-CE1 3.94Å; M16-F71 HydrophobicContact CG-CE1 4.04Å; M16-F71 HydrophobicContact CG-CZ 4.2Å
17H74.3Confident64.4Low143 Ų14384.3 Ų84.366%0.66241%0.41SS*.Hα-helixtrans-64.5-38.3172.1-85.3-64.5000112.3D15 T21D15-H17 PolarHBondContact O-N 2.64Å; H17-T21 VanDerWaalsContact O-CB 3.26Å; H17-T21 WeakPolarHBondContact O-CB 3.35Å; H17-T21 PolarHBondContact O-N 3.5Å; H17-T21 PolarHBondContact O-OG1 3.19Å
18H75.6Confident66.2Low99 Ų9983.9 Ų83.946%0.45841%0.413SS..Hα-helixtrans-63.1-49175.9176.576.4000111D15 M16 T21 K22D15-H18 WeakPolarHBondContact O-CA 3.29Å; D15-H18 WeakPolarHBondContact O-CB 3.46Å; D15-H18 PolarHBondContact O-N 2.84Å; M16-H18 VanDerWaalsContact C-N 3.33Å; H18-T21 PolarHBondContact O-N 3.08Å; H18-K22 WeakPolarHBondContact O-CB 3.46Å; H18-K22 PolarHBondContact O-N 3.43Å
19W75.3Confident68.3Low39 Ų3981.9 Ų81.915%0.14841%0.409CS..Hα-helixtrans-65.7-39.4177.6-74.1111.8000113D15 M16 K22 F23 F71 Y74 I75 I78 V180 L183D15-W19 PolarHBondContact O-N 3.26Å; M16-W19 PolarHBondContact O-N 3.17Å; W19-K22 HydrophobicContact CE3-CD 4.08Å; W19-K22 HydrophobicContact CZ3-CD 4.22Å; W19-K22 VanDerWaalsContact O-CB 3.31Å; W19-K22 WeakPolarHBondContact O-CB 3.4Å; W19-K22 PolarHBondContact O-N 2.85Å; W19-F23 VanDerWaalsContact O-CB 3.26Å; W19-F23 WeakPolarHBondContact O-CB 3.3Å; W19-F23 PolarHBondContact O-N 3.43Å; W19-F71 HydrophobicContact CB-CE2 4.12Å; W19-F71 HydrophobicContact CB-CZ 4.2Å; W19-Y74 HydrophobicContact CE3-CE1 4.24Å; W19-I75 HydrophobicContact CB-CD1 3.38Å; W19-I75 HydrophobicContact CB-CG1 4.43Å; W19-I75 HydrophobicContact CD2-CD1 4.1Å; W19-I75 HydrophobicContact CG-CD1 3.56Å; W19-I78 HydrophobicContact CE3-CD1 3.81Å; W19-I78 HydrophobicContact CH2-CD1 4.2Å; W19-I78 HydrophobicContact CH2-CG2 4.24Å; W19-I78 HydrophobicContact CZ2-CG2 4.24Å; W19-I78 HydrophobicContact CZ3-CD1 3.63Å; W19-V180 HydrophobicContact CH2-CG2 3.83Å; W19-V180 HydrophobicContact CZ3-CG2 4.09Å; W19-L183 HydrophobicContact CZ3-CD1 4.12Å
20Y80Confident70.3Confident107 Ų10778.3 Ų78.342%0.4239%0.394SS..Hα-helixtrans-64.7-46.8176.1-177-99.1000111.4M16 K22 F23 M24 F71M16-Y20 WeakPolarHBondContact O-CB 3.46Å; M16-Y20 PolarHBondContact O-N 2.65Å; Y20-K22 VanDerWaalsContact C-N 3.26Å; Y20-K22 PolarHBondContact O-N 3.15Å; Y20-F23 PolarHBondContact O-N 2.96Å; Y20-M24 HydrophobicContact CD1-CG 4.12Å; Y20-M24 HydrophobicContact CD2-CG 4.41Å; Y20-M24 HydrophobicContact CE1-CG 3.7Å; Y20-M24 HydrophobicContact CE2-CG 4.03Å; Y20-M24 HydrophobicContact CE2-SD 4.23Å; Y20-M24 HydrophobicContact CG-CG 4.46Å; Y20-M24 WeakPolarHBondContact O-CB 3.26Å; Y20-M24 WeakPolarHBondContact O-CG 3.46Å; Y20-M24 PolarHBondContact O-N 3.01Å; Y20-F71 HydrophobicContact CD2-CB 4.44Å; Y20-F71 AromaticContact CD2-CD1 3.66Å; Y20-F71 HydrophobicContact CD2-CD1 3.66Å; Y20-F71 AromaticContact CD2-CD2 3.99Å; Y20-F71 HydrophobicContact CD2-CD2 3.99Å; Y20-F71 AromaticContact CD2-CE1 3.81Å; Y20-F71 HydrophobicContact CD2-CE1 3.81Å; Y20-F71 HydrophobicContact CD2-CE2 4.16Å; Y20-F71 AromaticContact CD2-CG 3.74Å; Y20-F71 HydrophobicContact CD2-CG 3.74Å; Y20-F71 HydrophobicContact CD2-CZ 4.06Å; Y20-F71 HydrophobicContact CE2-CD1 4.4Å; Y20-F71 HydrophobicContact CE2-CG 4.38Å; Y20-F71 HydrophobicContact CG-CE1 4.37Å; Y20-F71 HydrophobicContact CG-CZ 4.32Å
21T77.2Confident72.4Confident95 Ų9577.1 Ų77.158%0.58339%0.387SS*.Hα-helixtrans-61.5-38.4176.8-55.50000111.2H17 H18 R25H17-T21 VanDerWaalsContact O-CB 3.26Å; H17-T21 WeakPolarHBondContact O-CB 3.35Å; H17-T21 PolarHBondContact O-N 3.5Å; H17-T21 PolarHBondContact O-OG1 3.19Å; H18-T21 PolarHBondContact O-N 3.08Å; T21-R25 PolarHBondContact O-N 2.99Å
22K72.7Confident74.5Confident18 Ų1873.6 Ų73.68%0.07837%0.37CS..Hα-helixtrans-61.7-53172.5-101.6-172.4152.4-175.80112.2H18 W19 Y20 M24 R25 E26 L183H18-K22 WeakPolarHBondContact O-CB 3.46Å; H18-K22 PolarHBondContact O-N 3.43Å; W19-K22 HydrophobicContact CE3-CD 4.08Å; W19-K22 HydrophobicContact CZ3-CD 4.22Å; W19-K22 VanDerWaalsContact O-CB 3.31Å; W19-K22 WeakPolarHBondContact O-CB 3.4Å; W19-K22 PolarHBondContact O-N 2.85Å; Y20-K22 VanDerWaalsContact C-N 3.26Å; Y20-K22 PolarHBondContact O-N 3.15Å; K22-M24 PolarHBondContact O-N 2.84Å; K22-R25 WeakPolarHBondContact O-CB 3.32Å; K22-R25 PolarHBondContact O-N 2.81Å; K22-R25 VanDerWaalsContact O-N 3.1Å; K22-E26 PolarHBondContact O-N 3.49Å; K22-L183 HydrophobicContact CB-CD1 4.41Å; K22-L183 HydrophobicContact CB-CD2 3.71Å; K22-L183 HydrophobicContact CD-CB 4.31Å; K22-L183 HydrophobicContact CD-CD1 3.53Å; K22-L183 HydrophobicContact CD-CD2 3.61Å; K22-L183 HydrophobicContact CD-CG 3.99Å; K22-L183 VanDerWaalsContact CE-CB 3.46Å; K22-L183 HydrophobicContact CG-CD1 4.29Å; K22-L183 HydrophobicContact CG-CD2 3.46Å; K22-L183 VanDerWaalsContact CG-CD2 3.46Å; K22-L183 HydrophobicContact CG-CG 4.38Å
23F78.7Confident76.2Confident4 Ų471.7 Ų71.72%0.01836%0.361CS..Hα-helixtrans-58.5-49-177.6176.1-97.9000110.7W19 Y20 R25 E26 S27 G30 I32 F71 Y74W19-F23 VanDerWaalsContact O-CB 3.26Å; W19-F23 WeakPolarHBondContact O-CB 3.3Å; W19-F23 PolarHBondContact O-N 3.43Å; Y20-F23 PolarHBondContact O-N 2.96Å; F23-R25 PolarHBondContact O-N 3.39Å; F23-E26 PolarHBondContact O-N 2.78Å; F23-S27 PolarHBondContact O-N 3.22Å; F23-G30 VanDerWaalsContact CE1-C 3.43Å; F23-G30 VanDerWaalsContact CE1-O 3.27Å; F23-G30 WeakPolarHBondContact CE1-O 3.21Å; F23-G30 WeakPolarHBondContact CZ-O 3.45Å; F23-I32 HydrophobicContact CD2-CD1 3.99Å; F23-I32 HydrophobicContact CE2-CD1 3.48Å; F23-I32 VanDerWaalsContact CE2-CD1 3.48Å; F23-I32 HydrophobicContact CE2-CG1 3.73Å; F23-I32 HydrophobicContact CZ-CD1 4.5Å; F23-I32 HydrophobicContact CZ-CG1 4.32Å; F23-F71 HydrophobicContact CB-CD2 3.81Å; F23-F71 HydrophobicContact CB-CE2 4.12Å; F23-F71 HydrophobicContact CD1-CB 4.03Å; F23-F71 AromaticContact CD1-CD2 3.84Å; F23-F71 HydrophobicContact CD1-CD2 3.84Å; F23-F71 HydrophobicContact CD1-CG 4.35Å; F23-F71 HydrophobicContact CD2-CD2 4.35Å; F23-F71 HydrophobicContact CE1-CB 3.87Å; F23-F71 HydrophobicContact CE1-CD2 4.46Å; F23-F71 AromaticContact CG-CD2 3.76Å; F23-F71 HydrophobicContact CG-CD2 3.76Å; F23-F71 HydrophobicContact CZ-CB 4.35Å; F23-Y74 HydrophobicContact CB-CD1 4.42Å; F23-Y74 HydrophobicContact CB-CE1 4.28Å; F23-Y74 AromaticContact CD2-CD1 3.64Å; F23-Y74 HydrophobicContact CD2-CD1 3.64Å; F23-Y74 HydrophobicContact CD2-CD2 4.11Å; F23-Y74 AromaticContact CD2-CE1 3.99Å; F23-Y74 HydrophobicContact CD2-CE1 3.99Å; F23-Y74 HydrophobicContact CD2-CE2 4.43Å; F23-Y74 AromaticContact CD2-CG 3.7Å; F23-Y74 HydrophobicContact CD2-CG 3.7Å; F23-Y74 HydrophobicContact CE2-CD1 4.29Å; F23-Y74 HydrophobicContact CE2-CD2 4.28Å; F23-Y74 AromaticContact CE2-CG 3.92Å; F23-Y74 HydrophobicContact CE2-CG 3.92Å; F23-Y74 HydrophobicContact CG-CD1 4.34Å
24M82.3Confident78Confident58 Ų5866.8 Ų66.829%0.28634%0.339SS..Hα-helixtrans-65.1-20.1177.6-67.3-56.8-58.300114.2Y20 K22 S27 P28Y20-M24 HydrophobicContact CD1-CG 4.12Å; Y20-M24 HydrophobicContact CD2-CG 4.41Å; Y20-M24 HydrophobicContact CE1-CG 3.7Å; Y20-M24 HydrophobicContact CE2-CG 4.03Å; Y20-M24 HydrophobicContact CE2-SD 4.23Å; Y20-M24 HydrophobicContact CG-CG 4.46Å; Y20-M24 WeakPolarHBondContact O-CB 3.26Å; Y20-M24 WeakPolarHBondContact O-CG 3.46Å; Y20-M24 PolarHBondContact O-N 3.01Å; K22-M24 PolarHBondContact O-N 2.84Å; M24-S27 WeakPolarHBondContact CA-O 3.44Å; M24-P28 WeakPolarHBondContact O-CA 3.46Å
25R78.6Confident79.7Confident108 Ų10865.9 Ų65.941%0.40833%0.333SS..Hα-helixtrans-75.5-41.9174.8-173.2-176.371.3-160.62.3111.7T21 K22 F23 L183T21-R25 PolarHBondContact O-N 2.99Å; K22-R25 WeakPolarHBondContact O-CB 3.32Å; K22-R25 PolarHBondContact O-N 2.81Å; K22-R25 VanDerWaalsContact O-N 3.1Å; F23-R25 PolarHBondContact O-N 3.39Å; R25-L183 PolarHBondContact NH2-O 2.79Å
26E70.1Confident80.3Confident63 Ų6366 Ų6629%0.29433%0.332SS..Hα-helixtrans-86.9-31.8-177.4-53.7-56.5147.600112.1K22 F23 M40 L183K22-E26 PolarHBondContact O-N 3.49Å; F23-E26 PolarHBondContact O-N 2.78Å; E26-M40 HydrophobicContact CB-CE 4.41Å; E26-L183 HydrophobicContact CG-CD2 3.54Å; E26-L183 HydrophobicContact CG-CG 4.29Å
27S79.1Confident80.9Confident1 Ų161.8 Ų61.81%0.00731%0.311CS..  trans-124.486.5172.31740000109.8F23 M24 S29 G30 L31F23-S27 PolarHBondContact O-N 3.22Å; M24-S27 WeakPolarHBondContact CA-O 3.44Å; S27-S29 PolarHBondContact O-N 3.17Å; S27-S29 PolarHBondContact OG-OG 3.04Å; S27-G30 PolarHBondContact O-N 2.88Å; S27-L31 VanDerWaalsContact OG-C 3.24Å; S27-L31 PolarHBondContact OG-N 3.32Å; S27-L31 VanDerWaalsContact OG-N 3.17Å; S27-L31 PolarHBondContact OG-O 3.38Å
28P82.1Confident81.2Confident100 Ų10056.8 Ų56.865%0.64929%0.287SS*.THydrogen-bonded Turntrans-64-19177.2-2334.5000113.9M24 G30M24-P28 WeakPolarHBondContact O-CA 3.46Å; P28-G30 PolarHBondContact O-N 3.28Å
29S85.7Confident81.4Confident77 Ų7755.1 Ų55.154%0.53828%0.284SS..THydrogen-bonded Turntrans-68.5-20.7171.649.60000112.4S27 L31S27-S29 PolarHBondContact O-N 3.17Å; S27-S29 PolarHBondContact OG-OG 3.04Å; S29-L31 PolarHBondContact OG-N 3.35Å; S29-L31 PolarHBondContact OG-O 3.34Å
30G84.8Confident81.4Confident18 Ų1855.8 Ų55.819%0.18629%0.289CS..SBendtrans75.713.3-17100000113.5F23 S27 P28F23-G30 VanDerWaalsContact CE1-C 3.43Å; F23-G30 VanDerWaalsContact CE1-O 3.27Å; F23-G30 WeakPolarHBondContact CE1-O 3.21Å; F23-G30 WeakPolarHBondContact CZ-O 3.45Å; S27-G30 PolarHBondContact O-N 2.88Å; P28-G30 PolarHBondContact O-N 3.28Å
31L87.4Confident81Confident61 Ų6151.7 Ų51.732%0.31928%0.275SS..  trans-140.8130.6-177.2-64173.9000109S27 S29 Y68 D70S27-L31 VanDerWaalsContact OG-C 3.24Å; S27-L31 PolarHBondContact OG-N 3.32Å; S27-L31 VanDerWaalsContact OG-N 3.17Å; S27-L31 PolarHBondContact OG-O 3.38Å; S29-L31 PolarHBondContact OG-N 3.35Å; S29-L31 PolarHBondContact OG-O 3.34Å; L31-Y68 HydrophobicContact CB-CD1 4.24Å; L31-Y68 HydrophobicContact CD1-CD1 4.33Å; L31-Y68 HydrophobicContact CD1-CG 4.32Å; L31-D70 HydrophobicContact CD2-CB 4.13Å
32I86.4Confident80.9Confident12 Ų1252.4 Ų52.46%0.06228%0.275CS..EExtended strand (participates in β ladder)trans-98.2121.8171.8-63.2167.9000108.7F23 E36 L37 F58 L69 Y74F23-I32 HydrophobicContact CD2-CD1 3.99Å; F23-I32 HydrophobicContact CE2-CD1 3.48Å; F23-I32 VanDerWaalsContact CE2-CD1 3.48Å; F23-I32 HydrophobicContact CE2-CG1 3.73Å; F23-I32 HydrophobicContact CZ-CD1 4.5Å; F23-I32 HydrophobicContact CZ-CG1 4.32Å; I32-E36 HydrophobicContact CG2-CB 4.31Å; I32-L37 HydrophobicContact CG2-CB 4.17Å; I32-F58 WeakPolarHBondContact O-CE2 3.39Å; I32-L69 HydrophobicContact CB-CB 4.21Å; I32-L69 PolarHBondContact N-O 2.99Å; I32-L69 PolarHBondContact O-N 3.04Å; I32-Y74 HydrophobicContact CD1-CD2 3.89Å; I32-Y74 HydrophobicContact CD1-CE2 4.19Å
33T89.1Confident81Confident39 Ų3952 Ų5224%0.23927%0.273CS..EExtended strand (participates in β ladder)trans-83.8158.7171.9610000111.3F35 E36 L37 Y68T33-F35 PolarHBondContact O-N 2.83Å; T33-E36 WeakPolarHBondContact CB-OE2 3.43Å; T33-E36 WeakPolarHBondContact CG2-OE2 3.38Å; T33-E36 PolarHBondContact N-OE2 2.88Å; T33-E36 PolarHBondContact O-N 3.05Å; T33-E36 VanDerWaalsContact O-N 3.09Å; T33-E36 WeakPolarHBondContact OG1-CB 3.32Å; T33-E36 VanDerWaalsContact OG1-CD 3.28Å; T33-E36 VanDerWaalsContact OG1-CG 3.24Å; T33-E36 WeakPolarHBondContact OG1-CG 3.49Å; T33-E36 PolarHBondContact OG1-N 2.86Å; T33-E36 VanDerWaalsContact OG1-N 3.15Å; T33-E36 PolarHBondContact OG1-OE2 3.42Å; T33-L37 PolarHBondContact O-N 2.79Å; T33-Y68 HydrophobicContact CG2-CD1 3.75Å; T33-Y68 HydrophobicContact CG2-CE1 3.72Å
34L87Confident80.5Confident33 Ų3357.5 Ų57.517%0.17330%0.303CS..Hα-helixtrans-55.6-37.3172.7179.961.7000112.7L37 K38 D55 F58L34-L37 PolarHBondContact O-N 2.89Å; L34-K38 HydrophobicContact CG-CD 4.48Å; L34-K38 WeakPolarHBondContact O-CB 3.17Å; L34-K38 WeakPolarHBondContact O-CG 3.26Å; L34-K38 PolarHBondContact O-N 2.99Å; L34-D55 VanDerWaalsContact CD1-OD1 3.27Å; L34-D55 WeakPolarHBondContact CD1-OD1 3.34Å; L34-D55 HydrophobicContact CD2-CB 4.48Å; L34-D55 WeakPolarHBondContact CD2-OD1 3.1Å; L34-F58 HydrophobicContact CB-CD1 4.29Å; L34-F58 HydrophobicContact CB-CD2 4.18Å; L34-F58 HydrophobicContact CB-CE1 4.3Å; L34-F58 HydrophobicContact CB-CE2 4.18Å; L34-F58 HydrophobicContact CB-CG 4.25Å; L34-F58 HydrophobicContact CB-CZ 4.24Å; L34-F58 HydrophobicContact CD1-CB 3.53Å; L34-F58 HydrophobicContact CD1-CD1 4.16Å; L34-F58 HydrophobicContact CD1-CD2 3.93Å; L34-F58 HydrophobicContact CD1-CG 3.61Å; L34-F58 VanDerWaalsContact N-CE2 3.32Å
35F86.7Confident80Confident152 Ų15258.5 Ų58.567%0.66733%0.328SS*.Hα-helixtrans-64.7-44.1176.5177.6-96.8000112.2T33 K38 T39T33-F35 PolarHBondContact O-N 2.83Å; F35-K38 PolarHBondContact O-N 2.91Å; F35-T39 WeakPolarHBondContact O-CB 3.3Å; F35-T39 PolarHBondContact O-N 2.88Å; F35-T39 PolarHBondContact O-OG1 2.84Å
36E83.2Confident79.9Confident60 Ų6056 Ų5628%0.2832%0.322SS..Hα-helixtrans-63.8-43.8175.9-74.3162.6146.300110.9I32 T33 K38 T39 M40I32-E36 HydrophobicContact CG2-CB 4.31Å; T33-E36 WeakPolarHBondContact CB-OE2 3.43Å; T33-E36 WeakPolarHBondContact CG2-OE2 3.38Å; T33-E36 PolarHBondContact N-OE2 2.88Å; T33-E36 PolarHBondContact O-N 3.05Å; T33-E36 VanDerWaalsContact O-N 3.09Å; T33-E36 WeakPolarHBondContact OG1-CB 3.32Å; T33-E36 VanDerWaalsContact OG1-CD 3.28Å; T33-E36 VanDerWaalsContact OG1-CG 3.24Å; T33-E36 WeakPolarHBondContact OG1-CG 3.49Å; T33-E36 PolarHBondContact OG1-N 2.86Å; T33-E36 VanDerWaalsContact OG1-N 3.15Å; T33-E36 PolarHBondContact OG1-OE2 3.42Å; E36-K38 PolarHBondContact O-N 2.9Å; E36-T39 PolarHBondContact O-N 2.97Å; E36-M40 HydrophobicContact CB-CE 4.48Å; E36-M40 WeakPolarHBondContact O-CB 3.3Å; E36-M40 VanDerWaalsContact O-CG 3.24Å; E36-M40 WeakPolarHBondContact O-CG 3.5Å; E36-M40 PolarHBondContact O-N 3.04Å
37L81.8Confident80.3Confident10 Ų1055.4 Ų55.45%0.05232%0.322CS..Hα-helixtrans-59.6-48.3175.8-177.566.3000111.7I32 T33 L34 T39 M40 L41 V54 F58 I179I32-L37 HydrophobicContact CG2-CB 4.17Å; T33-L37 PolarHBondContact O-N 2.79Å; L34-L37 PolarHBondContact O-N 2.89Å; L37-T39 VanDerWaalsContact C-N 3.28Å; L37-T39 PolarHBondContact O-N 3.45Å; L37-M40 PolarHBondContact O-N 3.05Å; L37-L41 HydrophobicContact CD1-CD1 4.26Å; L37-L41 HydrophobicContact CD1-CG 4.45Å; L37-L41 HydrophobicContact CG-CD1 4.15Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 3.01Å; L37-V54 HydrophobicContact CD2-CG1 4.12Å; L37-V54 HydrophobicContact CG-CG1 4.33Å; L37-F58 HydrophobicContact CB-CD2 4.32Å; L37-F58 HydrophobicContact CD2-CB 4.02Å; L37-F58 HydrophobicContact CD2-CD2 3.73Å; L37-F58 HydrophobicContact CD2-CG 4.39Å; L37-I179 HydrophobicContact CD1-CD1 4.25Å
38K81.8Confident80.4Confident39 Ų3963.4 Ų63.417%0.1736%0.36CS..Hα-helixtrans-59.6-38.9176.2-81.2-178.7166.7167.70112.7L34 F35 E36 L41 D42 M43 N51 V54 D55L34-K38 HydrophobicContact CG-CD 4.48Å; L34-K38 WeakPolarHBondContact O-CB 3.17Å; L34-K38 WeakPolarHBondContact O-CG 3.26Å; L34-K38 PolarHBondContact O-N 2.99Å; F35-K38 PolarHBondContact O-N 2.91Å; E36-K38 PolarHBondContact O-N 2.9Å; K38-L41 PolarHBondContact O-N 3.4Å; K38-D42 PolarHBondContact O-N 3.45Å; K38-M43 HydrophobicContact CB-CB 4.2Å; K38-M43 HydrophobicContact CB-CG 4.32Å; K38-M43 HydrophobicContact CG-CB 4.41Å; K38-M43 HydrophobicContact CG-CG 4.33Å; K38-M43 WeakPolarHBondContact O-CB 3.42Å; K38-M43 WeakPolarHBondContact O-CG 3.38Å; K38-M43 PolarHBondContact O-N 2.9Å; K38-N51 WeakPolarHBondContact CE-OD1 3.47Å; K38-V54 HydrophobicContact CG-CG1 3.84Å; K38-D55 WeakPolarHBondContact CE-OD1 3.42Å; K38-D55 IonicContact NZ-OD1 2.59Å; K38-D55 PolarHBondContact NZ-OD1 3.18Å; K38-D55 IonicContact NZ-OD2 3.04Å; K38-D55 PolarHBondContact NZ-OD2 2.97Å
39T80.1Confident80Confident63 Ų6363.1 Ų63.139%0.38735%0.349SS..Hα-helixtrans-68-42.7177.1-57.90000111.1F35 E36 L37 L41 D42F35-T39 WeakPolarHBondContact O-CB 3.3Å; F35-T39 PolarHBondContact O-N 2.88Å; F35-T39 PolarHBondContact O-OG1 2.84Å; E36-T39 PolarHBondContact O-N 2.97Å; L37-T39 VanDerWaalsContact C-N 3.28Å; L37-T39 PolarHBondContact O-N 3.45Å; T39-L41 VanDerWaalsContact C-N 3.26Å; T39-L41 PolarHBondContact O-N 3.47Å; T39-D42 PolarHBondContact O-N 2.88Å; T39-D42 VanDerWaalsContact O-N 3.12Å
40M74.8Confident79.5Confident53 Ų5359.4 Ų59.426%0.26132%0.324SS..Hα-helixtrans-61-36.8175.8-71.8175.3-17200111.7E26 E36 L37 D42 I178E26-M40 HydrophobicContact CB-CE 4.41Å; E36-M40 HydrophobicContact CB-CE 4.48Å; E36-M40 WeakPolarHBondContact O-CB 3.3Å; E36-M40 VanDerWaalsContact O-CG 3.24Å; E36-M40 WeakPolarHBondContact O-CG 3.5Å; E36-M40 PolarHBondContact O-N 3.04Å; L37-M40 PolarHBondContact O-N 3.05Å; M40-D42 VanDerWaalsContact C-N 3.25Å; M40-D42 PolarHBondContact O-N 3Å; M40-I178 WeakPolarHBondContact O-CG2 3.3Å
41L71.7Confident79.3Confident21 Ų2160.4 Ų60.411%0.1133%0.325CS..THydrogen-bonded Turntrans-81.83.8177.7-65.8179.1000114.5L37 K38 T39 M43 V54 V175 I178L37-L41 HydrophobicContact CD1-CD1 4.26Å; L37-L41 HydrophobicContact CD1-CG 4.45Å; L37-L41 HydrophobicContact CG-CD1 4.15Å; L37-L41 WeakPolarHBondContact O-CG 3.45Å; L37-L41 PolarHBondContact O-N 3.01Å; K38-L41 PolarHBondContact O-N 3.4Å; T39-L41 VanDerWaalsContact C-N 3.26Å; T39-L41 PolarHBondContact O-N 3.47Å; L41-M43 HydrophobicContact CB-CG 3.79Å; L41-M43 HydrophobicContact CB-SD 4.21Å; L41-M43 PolarHBondContact O-N 3.38Å; L41-V54 HydrophobicContact CD1-CG1 3.85Å; L41-V54 HydrophobicContact CD1-CG2 3.92Å; L41-V175 HydrophobicContact CD1-CG1 4.5Å; L41-V175 HydrophobicContact CD1-CG2 4.34Å; L41-V175 HydrophobicContact CD2-CB 4.22Å; L41-V175 HydrophobicContact CD2-CG1 4.09Å; L41-V175 HydrophobicContact CD2-CG2 3.92Å; L41-I178 HydrophobicContact CD2-CB 4.12Å; L41-I178 HydrophobicContact CD2-CD1 4.31Å; L41-I178 HydrophobicContact CD2-CG2 3.94Å
42D74.9Confident79.1Confident110 Ų11058.9 Ų58.959%0.58832%0.324SS*.THydrogen-bonded Turntrans50.243-176.4-162.531000112.9K38 T39 M40 N44K38-D42 PolarHBondContact O-N 3.45Å; T39-D42 PolarHBondContact O-N 2.88Å; T39-D42 VanDerWaalsContact O-N 3.12Å; M40-D42 VanDerWaalsContact C-N 3.25Å; M40-D42 PolarHBondContact O-N 3Å; D42-N44 PolarHBondContact O-N 3.12Å
43M73.9Confident78.8Confident10 Ų1058.9 Ų58.95%0.04932%0.323CS..  trans-71.30.3-179.8-63-61.6-6800113.2K38 L41 G45 M46 A50 V54K38-M43 HydrophobicContact CB-CB 4.2Å; K38-M43 HydrophobicContact CB-CG 4.32Å; K38-M43 HydrophobicContact CG-CB 4.41Å; K38-M43 HydrophobicContact CG-CG 4.33Å; K38-M43 WeakPolarHBondContact O-CB 3.42Å; K38-M43 WeakPolarHBondContact O-CG 3.38Å; K38-M43 PolarHBondContact O-N 2.9Å; L41-M43 HydrophobicContact CB-CG 3.79Å; L41-M43 HydrophobicContact CB-SD 4.21Å; L41-M43 PolarHBondContact O-N 3.38Å; M43-G45 PolarHBondContact O-N 2.99Å; M43-M46 HydrophobicContact CE-CB 3.88Å; M43-M46 HydrophobicContact CE-CG 4.05Å; M43-M46 PolarHBondContact O-N 3.24Å; M43-M46 HydrophobicContact SD-CG 4.05Å; M43-A50 HydrophobicContact CE-CB 3.82Å; M43-A50 WeakPolarHBondContact CE-O 3.24Å; M43-V54 HydrophobicContact CE-CB 4.42Å; M43-V54 HydrophobicContact CE-CG2 3.58Å; M43-V54 HydrophobicContact CG-CG2 4.16Å; M43-V54 HydrophobicContact SD-CG2 3.8Å
44N69.7Low78.4Confident120 Ų12057.2 Ų57.264%0.64231%0.313SS*.THydrogen-bonded Turntrans-64.9101.3-179.9-71.1-29.7000110.4D42D42-N44 PolarHBondContact O-N 3.12Å
45G70.7Confident78.4Confident78 Ų7857.5 Ų57.580%0.80431%0.314SS*.THydrogen-bonded Turntrans99.88-178.600000114.9M43M43-G45 PolarHBondContact O-N 2.99Å
46M77.1Confident78.1Confident56 Ų5652.9 Ų52.928%0.27630%0.295SS..  trans-77.6163.2167.9-61.7-61.9168.100111.5M43 A50 N51 R122M43-M46 HydrophobicContact CE-CB 3.88Å; M43-M46 HydrophobicContact CE-CG 4.05Å; M43-M46 PolarHBondContact O-N 3.24Å; M43-M46 HydrophobicContact SD-CG 4.05Å; M46-A50 HydrophobicContact CB-CB 3.97Å; M46-N51 PolarHBondContact O-ND2 3.32Å; M46-R122 PolarHBondContact SD-NH2 3.45Å
47T78.1Confident78Confident50 Ų5050.4 Ų50.431%0.30728%0.284SS..  trans-65.8164.9179.954.80000112.2E49 A50 N51 D119T47-E49 VanDerWaalsContact CB-OE2 3.32Å; T47-E49 WeakPolarHBondContact CB-OE2 3.18Å; T47-E49 PolarHBondContact O-N 2.95Å; T47-A50 PolarHBondContact O-N 3.34Å; T47-A50 WeakPolarHBondContact OG1-CB 3.38Å; T47-A50 PolarHBondContact OG1-N 2.97Å; T47-N51 PolarHBondContact O-N 3.43Å; T47-N51 PolarHBondContact O-ND2 2.94Å; T47-D119 WeakPolarHBondContact CG2-OD2 3.35Å; T47-D119 PolarHBondContact OG1-OD2 3.45Å
48E80.9Confident78.2Confident170 Ų17050 Ų5079%0.79428%0.282SS*.Hα-helixtrans-64.6-34.4176.2-74.9-169146.600110.8N51 G52E48-N51 PolarHBondContact O-N 3.35Å; E48-G52 PolarHBondContact O-N 3.12Å
49E74.9Confident78.4Confident93 Ų9353.7 Ų53.744%0.43530%0.296SS..Hα-helixtrans-64-46.3176.9-62.576.3-170.200111.3T47 N51 G52 Y53 A116T47-E49 VanDerWaalsContact CB-OE2 3.32Å; T47-E49 WeakPolarHBondContact CB-OE2 3.18Å; T47-E49 PolarHBondContact O-N 2.95Å; E49-N51 PolarHBondContact O-N 3.03Å; E49-G52 PolarHBondContact O-N 2.86Å; E49-Y53 PolarHBondContact O-N 2.61Å; E49-A116 HydrophobicContact CB-CB 4.32Å; E49-A116 VanDerWaalsContact O-CB 3.31Å; E49-A116 WeakPolarHBondContact O-CB 3.49Å
50A74Confident78.5Confident0 Ų051.2 Ų51.20%028%0.28CS..Hα-helixtrans-63.9-40.3175.900000111.9M43 M46 T47 Y53 V54 D119 I120M43-A50 HydrophobicContact CE-CB 3.82Å; M43-A50 WeakPolarHBondContact CE-O 3.24Å; M46-A50 HydrophobicContact CB-CB 3.97Å; T47-A50 PolarHBondContact O-N 3.34Å; T47-A50 WeakPolarHBondContact OG1-CB 3.38Å; T47-A50 PolarHBondContact OG1-N 2.97Å; A50-Y53 PolarHBondContact O-N 3.48Å; A50-V54 PolarHBondContact O-N 3.29Å; A50-D119 HydrophobicContact CB-CB 4.27Å; A50-I120 HydrophobicContact CB-CD1 4.32Å; A50-I120 HydrophobicContact CB-CG1 3.82Å
51N81.8Confident78.9Confident38 Ų3849.4 Ų49.420%0.20327%0.271CS..Hα-helixtrans-64.1-43.5174.1-85.5-77.5000112K38 M46 T47 E48 E49 Y53 V54 D55K38-N51 WeakPolarHBondContact CE-OD1 3.47Å; M46-N51 PolarHBondContact O-ND2 3.32Å; T47-N51 PolarHBondContact O-N 3.43Å; T47-N51 PolarHBondContact O-ND2 2.94Å; E48-N51 PolarHBondContact O-N 3.35Å; E49-N51 PolarHBondContact O-N 3.03Å; N51-Y53 VanDerWaalsContact C-N 3.32Å; N51-Y53 PolarHBondContact O-N 3.45Å; N51-V54 PolarHBondContact O-N 3.3Å; N51-D55 VanDerWaalsContact O-CG 3.25Å; N51-D55 PolarHBondContact O-N 2.9Å
52G82.4Confident79.6Confident29 Ų2948.9 Ų48.930%0.29927%0.268SS..Hα-helixtrans-61-40.1176.200000112E48 E49 V54 D55 Q56E48-G52 PolarHBondContact O-N 3.12Å; E49-G52 PolarHBondContact O-N 2.86Å; G52-V54 PolarHBondContact O-N 2.82Å; G52-D55 WeakPolarHBondContact O-CB 3.48Å; G52-D55 PolarHBondContact O-N 3.04Å; G52-Q56 WeakPolarHBondContact O-CG 3.48Å; G52-Q56 PolarHBondContact O-N 3.15Å
53Y80.8Confident79.9Confident12 Ų1249.9 Ų49.95%0.04727%0.271CS..Hα-helixtrans-61.9-43174.7176.3-95000112.9E49 A50 N51 D55 Q56 V57 L96 I113 A116 I117 I120 M170 L172E49-Y53 PolarHBondContact O-N 2.61Å; A50-Y53 PolarHBondContact O-N 3.48Å; N51-Y53 VanDerWaalsContact C-N 3.32Å; N51-Y53 PolarHBondContact O-N 3.45Å; Y53-D55 VanDerWaalsContact C-N 3.28Å; Y53-D55 PolarHBondContact O-N 3.11Å; Y53-Q56 PolarHBondContact O-N 3.12Å; Y53-V57 HydrophobicContact CD1-CG2 4.15Å; Y53-V57 HydrophobicContact CE1-CG2 3.77Å; Y53-V57 HydrophobicContact CE2-CG2 4.38Å; Y53-V57 WeakPolarHBondContact O-CG2 3.36Å; Y53-V57 PolarHBondContact O-N 3.41Å; Y53-L96 HydrophobicContact CD2-CD2 4.48Å; Y53-L96 HydrophobicContact CE2-CD2 3.64Å; Y53-I113 HydrophobicContact CD2-CD1 3.86Å; Y53-I113 HydrophobicContact CD2-CG2 4.1Å; Y53-I113 HydrophobicContact CE2-CD1 4.43Å; Y53-I113 HydrophobicContact CE2-CG2 3.92Å; Y53-A116 VanDerWaalsContact CB-CB 3.49Å; Y53-A116 HydrophobicContact CD2-CB 4.35Å; Y53-A116 HydrophobicContact CG-CB 4.08Å; Y53-I117 HydrophobicContact CD2-CG1 4.39Å; Y53-I117 HydrophobicContact CE2-CD1 4.2Å; Y53-I117 HydrophobicContact CE2-CG1 3.85Å; Y53-I120 HydrophobicContact CD1-CD1 3.27Å; Y53-I120 HydrophobicContact CE1-CD1 3.88Å; Y53-I120 HydrophobicContact CG-CD1 4.03Å; Y53-M170 HydrophobicContact CE2-CE 4.36Å; Y53-M170 WeakPolarHBondContact OH-CE 2.91Å; Y53-L172 HydrophobicContact CE1-CD2 4.31Å
54V80.4Confident80.5Confident5 Ų554.3 Ų54.33%0.0330%0.295CS..Hα-helixtrans-64.3-35.8175.5174.10000111.4L37 K38 L41 M43 A50 N51 G52 V57 F58 I120L37-V54 HydrophobicContact CD2-CG1 4.12Å; L37-V54 HydrophobicContact CG-CG1 4.33Å; K38-V54 HydrophobicContact CG-CG1 3.84Å; L41-V54 HydrophobicContact CD1-CG1 3.85Å; L41-V54 HydrophobicContact CD1-CG2 3.92Å; M43-V54 HydrophobicContact CE-CB 4.42Å; M43-V54 HydrophobicContact CE-CG2 3.58Å; M43-V54 HydrophobicContact CG-CG2 4.16Å; M43-V54 HydrophobicContact SD-CG2 3.8Å; A50-V54 PolarHBondContact O-N 3.29Å; N51-V54 PolarHBondContact O-N 3.3Å; G52-V54 PolarHBondContact O-N 2.82Å; V54-V57 PolarHBondContact O-N 3.41Å; V54-F58 WeakPolarHBondContact O-CB 3.47Å; V54-F58 PolarHBondContact O-N 2.8Å; V54-I120 HydrophobicContact CG2-CD1 4.49Å
55D86.2Confident81.4Confident38 Ų3851.4 Ų51.420%0.20329%0.294CS..Hα-helixtrans-61.7-47.5174-64.8-8.8000110.8L34 K38 N51 G52 Y53 V57 F58 Y59L34-D55 VanDerWaalsContact CD1-OD1 3.27Å; L34-D55 WeakPolarHBondContact CD1-OD1 3.34Å; L34-D55 HydrophobicContact CD2-CB 4.48Å; L34-D55 WeakPolarHBondContact CD2-OD1 3.1Å; K38-D55 WeakPolarHBondContact CE-OD1 3.42Å; K38-D55 IonicContact NZ-OD1 2.59Å; K38-D55 PolarHBondContact NZ-OD1 3.18Å; K38-D55 IonicContact NZ-OD2 3.04Å; K38-D55 PolarHBondContact NZ-OD2 2.97Å; N51-D55 VanDerWaalsContact O-CG 3.25Å; N51-D55 PolarHBondContact O-N 2.9Å; G52-D55 WeakPolarHBondContact O-CB 3.48Å; G52-D55 PolarHBondContact O-N 3.04Å; Y53-D55 VanDerWaalsContact C-N 3.28Å; Y53-D55 PolarHBondContact O-N 3.11Å; D55-V57 PolarHBondContact O-N 2.94Å; D55-F58 WeakPolarHBondContact O-CB 3.36Å; D55-F58 PolarHBondContact O-N 3.25Å; D55-Y59 HydrophobicContact CB-CD2 4.44Å; D55-Y59 HydrophobicContact CB-CE2 4.18Å; D55-Y59 WeakPolarHBondContact O-CD2 3.15Å; D55-Y59 PolarHBondContact O-N 3.11Å
56Q81.4Confident82.3Confident55 Ų5551.3 Ų51.326%0.25728%0.275SS..Hα-helixtrans-60.8-45.3176.7-66.2-58.1-2700111.3G52 Y53 F58 Y59 T60 L96G52-Q56 WeakPolarHBondContact O-CG 3.48Å; G52-Q56 PolarHBondContact O-N 3.15Å; Y53-Q56 PolarHBondContact O-N 3.12Å; Q56-F58 VanDerWaalsContact C-N 3.3Å; Q56-F58 PolarHBondContact O-N 2.97Å; Q56-Y59 PolarHBondContact O-N 2.8Å; Q56-T60 VanDerWaalsContact O-CG2 3.31Å; Q56-T60 WeakPolarHBondContact O-CG2 3.35Å; Q56-T60 PolarHBondContact O-N 3.32Å; Q56-T60 PolarHBondContact O-OG1 2.95Å; Q56-L96 HydrophobicContact CB-CD1 3.72Å
57V81.7Confident82.9Confident9 Ų950 Ų506%0.05528%0.276CS..Hα-helixtrans-57.7-45.3176.2171.30000110.6Y53 V54 D55 T60 F61 W92 L96 L172Y53-V57 HydrophobicContact CD1-CG2 4.15Å; Y53-V57 HydrophobicContact CE1-CG2 3.77Å; Y53-V57 HydrophobicContact CE2-CG2 4.38Å; Y53-V57 WeakPolarHBondContact O-CG2 3.36Å; Y53-V57 PolarHBondContact O-N 3.41Å; V54-V57 PolarHBondContact O-N 3.41Å; D55-V57 PolarHBondContact O-N 2.94Å; V57-T60 PolarHBondContact O-N 3.14Å; V57-T60 PolarHBondContact O-OG1 2.88Å; V57-F61 HydrophobicContact CG1-CD2 4.01Å; V57-F61 HydrophobicContact CG1-CE2 3.71Å; V57-F61 WeakPolarHBondContact O-CD2 3.42Å; V57-F61 PolarHBondContact O-N 3.23Å; V57-W92 HydrophobicContact CG1-CZ2 4.45Å; V57-L96 HydrophobicContact CB-CD1 4.39Å; V57-L96 HydrophobicContact CG2-CD1 3.79Å; V57-L96 HydrophobicContact CG2-CD2 4.16Å; V57-L172 HydrophobicContact CG1-CD1 4.26Å
58F84.6Confident83.4Confident1 Ų152.5 Ų52.50%0.00428%0.28CS..Hα-helixtrans-57.6-54.5177-176.9-86.3000111.6I32 L34 L37 V54 D55 Q56 T60 F61 D62 G67 L69I32-F58 WeakPolarHBondContact O-CE2 3.39Å; L34-F58 HydrophobicContact CB-CD1 4.29Å; L34-F58 HydrophobicContact CB-CD2 4.18Å; L34-F58 HydrophobicContact CB-CE1 4.3Å; L34-F58 HydrophobicContact CB-CE2 4.18Å; L34-F58 HydrophobicContact CB-CG 4.25Å; L34-F58 HydrophobicContact CB-CZ 4.24Å; L34-F58 HydrophobicContact CD1-CB 3.53Å; L34-F58 HydrophobicContact CD1-CD1 4.16Å; L34-F58 HydrophobicContact CD1-CD2 3.93Å; L34-F58 HydrophobicContact CD1-CG 3.61Å; L34-F58 VanDerWaalsContact N-CE2 3.32Å; L37-F58 HydrophobicContact CB-CD2 4.32Å; L37-F58 HydrophobicContact CD2-CB 4.02Å; L37-F58 HydrophobicContact CD2-CD2 3.73Å; L37-F58 HydrophobicContact CD2-CG 4.39Å; V54-F58 WeakPolarHBondContact O-CB 3.47Å; V54-F58 PolarHBondContact O-N 2.8Å; D55-F58 WeakPolarHBondContact O-CB 3.36Å; D55-F58 PolarHBondContact O-N 3.25Å; Q56-F58 VanDerWaalsContact C-N 3.3Å; Q56-F58 PolarHBondContact O-N 2.97Å; F58-T60 PolarHBondContact O-N 2.81Å; F58-F61 PolarHBondContact O-N 3.15Å; F58-D62 HydrophobicContact CE1-CB 4.34Å; F58-D62 PolarHBondContact O-N 3.49Å; F58-G67 WeakPolarHBondContact CZ-O 3.48Å; F58-L69 HydrophobicContact CD2-CD1 3.72Å; F58-L69 HydrophobicContact CD2-CG 4.01Å; F58-L69 HydrophobicContact CE2-CB 4.49Å; F58-L69 HydrophobicContact CE2-CD1 3.75Å; F58-L69 HydrophobicContact CE2-CG 3.62Å; F58-L69 HydrophobicContact CZ-CG 3.97Å
59Y85.8Confident83.7Confident117 Ų11745 Ų4546%0.45925%0.245SC..Hα-helixtrans-68.7-20-177.5-65-57000114D55 Q56 F61D55-Y59 HydrophobicContact CB-CD2 4.44Å; D55-Y59 HydrophobicContact CB-CE2 4.18Å; D55-Y59 WeakPolarHBondContact O-CD2 3.15Å; D55-Y59 PolarHBondContact O-N 3.11Å; Q56-Y59 PolarHBondContact O-N 2.8Å; Y59-F61 VanDerWaalsContact C-N 3.3Å
60T81.9Confident84.3Confident10 Ų1043 Ų436%0.06124%0.237CC..Hα-helixtrans-71.4-27.9171.760.40000113Q56 V57 F58 W92 K95 L96Q56-T60 VanDerWaalsContact O-CG2 3.31Å; Q56-T60 WeakPolarHBondContact O-CG2 3.35Å; Q56-T60 PolarHBondContact O-N 3.32Å; Q56-T60 PolarHBondContact O-OG1 2.95Å; V57-T60 PolarHBondContact O-N 3.14Å; V57-T60 PolarHBondContact O-OG1 2.88Å; F58-T60 PolarHBondContact O-N 2.81Å; T60-W92 PolarHBondContact OG1-NE1 3.38Å; T60-W92 VanDerWaalsContact OG1-NE1 3.11Å; T60-K95 HydrophobicContact CG2-CD 4.29Å; T60-K95 HydrophobicContact CG2-CG 4.23Å; T60-K95 PolarHBondContact O-NZ 3.38Å; T60-L96 HydrophobicContact CG2-CB 4.28Å; T60-L96 HydrophobicContact CG2-CD1 3.73Å
61F83.2Confident84.8Confident15 Ų1544.1 Ų44.17%0.06624%0.243CC..Hα-helixtrans-93.3-26.8179.1-68.3-54.8000113.7V57 F58 Y59 M63 L69 A77 L80 L81 W92V57-F61 HydrophobicContact CG1-CD2 4.01Å; V57-F61 HydrophobicContact CG1-CE2 3.71Å; V57-F61 WeakPolarHBondContact O-CD2 3.42Å; V57-F61 PolarHBondContact O-N 3.23Å; F58-F61 PolarHBondContact O-N 3.15Å; Y59-F61 VanDerWaalsContact C-N 3.3Å; F61-M63 WeakPolarHBondContact O-CG 3.44Å; F61-M63 PolarHBondContact O-N 3.1Å; F61-L69 VanDerWaalsContact C-CD2 3.44Å; F61-L69 HydrophobicContact CB-CD2 3.69Å; F61-A77 HydrophobicContact CB-CB 4.34Å; F61-A77 HydrophobicContact CD1-CB 3.31Å; F61-A77 HydrophobicContact CD2-CB 4Å; F61-A77 VanDerWaalsContact CE1-CA 3.5Å; F61-A77 HydrophobicContact CE1-CB 3.43Å; F61-A77 VanDerWaalsContact CE1-CB 3.43Å; F61-A77 HydrophobicContact CE2-CB 4.07Å; F61-A77 HydrophobicContact CG-CB 3.63Å; F61-A77 HydrophobicContact CZ-CB 3.81Å; F61-L80 HydrophobicContact CE1-CD2 4.17Å; F61-L81 HydrophobicContact CZ-CD1 4.15Å; F61-L81 HydrophobicContact CZ-CD2 4.43Å; F61-L81 HydrophobicContact CZ-CG 4.29Å; F61-W92 AromaticContact CE1-CE2 3.91Å; F61-W92 HydrophobicContact CE1-CZ2 4.24Å; F61-W92 AromaticContact CE1-NE1 3.51Å; F61-W92 AromaticContact CE2-CZ2 3.7Å; F61-W92 HydrophobicContact CE2-CZ2 3.7Å; F61-W92 AromaticContact CZ-CE2 3.58Å; F61-W92 HydrophobicContact CZ-CH2 4.33Å; F61-W92 AromaticContact CZ-CZ2 3.46Å; F61-W92 HydrophobicContact CZ-CZ2 3.46Å; F61-W92 VanDerWaalsContact CZ-CZ2 3.46Å; F61-W92 AromaticContact CZ-NE1 3.65Å
62D86.8Confident85Confident10 Ų1047.1 Ų47.15%0.05326%0.262CS..  trans-67.995.8168.3177.53.8000108.3F58 G65 D66 G67 L69F58-D62 HydrophobicContact CE1-CB 4.34Å; F58-D62 PolarHBondContact O-N 3.49Å; D62-G65 WeakPolarHBondContact OD1-CA 3.48Å; D62-G65 PolarHBondContact OD1-N 3.22Å; D62-G65 WeakPolarHBondContact OD2-CA 3.42Å; D62-D66 PolarHBondContact OD1-N 3.47Å; D62-G67 WeakPolarHBondContact OD2-CA 3.46Å; D62-G67 PolarHBondContact OD2-N 2.92Å; D62-L69 HydrophobicContact CB-CD2 4.01Å; D62-L69 VanDerWaalsContact N-CD2 3.28Å
63M82.1Confident85.2Confident131 Ų13146.2 Ų46.265%0.64525%0.25SC*.SBendtrans-84-31.7-170.9-64.3-164.4-174.400112F61 E73 A76F61-M63 WeakPolarHBondContact O-CG 3.44Å; F61-M63 PolarHBondContact O-N 3.1Å; M63-E73 HydrophobicContact CG-CG 4.38Å; M63-E73 PolarHBondContact N-OE1 3.23Å; M63-A76 HydrophobicContact CE-CB 3.87Å
64D86.9Confident85.2Confident104 Ų10446.4 Ų46.456%0.55625%0.251SS*.SBendtrans-93.8-10.3179.374.73.7000113.4D66 E73D64-D66 VanDerWaalsContact C-N 3.32Å; D64-D66 VanDerWaalsContact OD1-CB 3.31Å; D64-D66 WeakPolarHBondContact OD1-CB 3.28Å; D64-D66 VanDerWaalsContact OD1-CG 3.27Å; D64-D66 PolarHBondContact OD1-N 3Å; D64-D66 VanDerWaalsContact OD1-N 3.09Å; D64-E73 PolarHBondContact N-OE1 3Å
65G87.7Confident85.1Confident59 Ų5947.6 Ų47.661%0.60826%0.256SS*.  trans74.423.3173.900000112.6D62 G67D62-G65 WeakPolarHBondContact OD1-CA 3.48Å; D62-G65 PolarHBondContact OD1-N 3.22Å; D62-G65 WeakPolarHBondContact OD2-CA 3.42Å; G65-G67 PolarHBondContact O-N 3.25Å
66D90.1Very high84.8Confident76 Ų7647.4 Ų47.441%0.40626%0.26SS..SBendtrans-78.5-7.6-178.684.2-8.2000113D62 D64 Y68D62-D66 PolarHBondContact OD1-N 3.47Å; D64-D66 VanDerWaalsContact C-N 3.32Å; D64-D66 VanDerWaalsContact OD1-CB 3.31Å; D64-D66 WeakPolarHBondContact OD1-CB 3.28Å; D64-D66 VanDerWaalsContact OD1-CG 3.27Å; D64-D66 PolarHBondContact OD1-N 3Å; D64-D66 VanDerWaalsContact OD1-N 3.09Å; D66-Y68 HydrophobicContact CB-CD2 4.42Å; D66-Y68 WeakPolarHBondContact O-CD2 3.17Å; D66-Y68 VanDerWaalsContact O-CE2 3.3Å; D66-Y68 WeakPolarHBondContact O-CE2 3.5Å; D66-Y68 WeakPolarHBondContact OD1-CA 3.4Å; D66-Y68 VanDerWaalsContact OD1-CB 3.29Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.42Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.43Å; D66-Y68 PolarHBondContact OD1-N 3.38Å
67G88.4Confident84.6Confident29 Ų2945.3 Ų45.330%0.29925%0.253SS..SBendtrans84.311.6-179.800000113.7F58 D62 G65F58-G67 WeakPolarHBondContact CZ-O 3.48Å; D62-G67 WeakPolarHBondContact OD2-CA 3.46Å; D62-G67 PolarHBondContact OD2-N 2.92Å; G65-G67 PolarHBondContact O-N 3.25Å
68Y89.6Confident84.3Confident101 Ų10145.3 Ų45.340%0.39625%0.252SS..EExtended strand (participates in β ladder)trans-126.4159.3176.7-53.9-84.8000109.5L31 T33 D66L31-Y68 HydrophobicContact CB-CD1 4.24Å; L31-Y68 HydrophobicContact CD1-CD1 4.33Å; L31-Y68 HydrophobicContact CD1-CG 4.32Å; T33-Y68 HydrophobicContact CG2-CD1 3.75Å; T33-Y68 HydrophobicContact CG2-CE1 3.72Å; D66-Y68 HydrophobicContact CB-CD2 4.42Å; D66-Y68 WeakPolarHBondContact O-CD2 3.17Å; D66-Y68 VanDerWaalsContact O-CE2 3.3Å; D66-Y68 WeakPolarHBondContact O-CE2 3.5Å; D66-Y68 WeakPolarHBondContact OD1-CA 3.4Å; D66-Y68 VanDerWaalsContact OD1-CB 3.29Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.42Å; D66-Y68 WeakPolarHBondContact OD1-CD2 3.43Å; D66-Y68 PolarHBondContact OD1-N 3.38Å
69L87Confident83.9Confident12 Ų1247.6 Ų47.66%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-109.4113.8165.2-65173.7000108.3I32 F58 F61 D62 E73I32-L69 HydrophobicContact CB-CB 4.21Å; I32-L69 PolarHBondContact N-O 2.99Å; I32-L69 PolarHBondContact O-N 3.04Å; F58-L69 HydrophobicContact CD2-CD1 3.72Å; F58-L69 HydrophobicContact CD2-CG 4.01Å; F58-L69 HydrophobicContact CE2-CB 4.49Å; F58-L69 HydrophobicContact CE2-CD1 3.75Å; F58-L69 HydrophobicContact CE2-CG 3.62Å; F58-L69 HydrophobicContact CZ-CG 3.97Å; F61-L69 VanDerWaalsContact C-CD2 3.44Å; F61-L69 HydrophobicContact CB-CD2 3.69Å; D62-L69 HydrophobicContact CB-CD2 4.01Å; D62-L69 VanDerWaalsContact N-CD2 3.28Å; L69-E73 WeakPolarHBondContact CA-OE2 3.2Å; L69-E73 HydrophobicContact CD2-CB 4.24Å
70D88.3Confident83.5Confident51 Ų5143.7 Ų43.727%0.27326%0.255SS..  trans-79.5177.2173.384.512.9000111.8L31 V72 E73 Y74L31-D70 HydrophobicContact CD2-CB 4.13Å; D70-V72 VanDerWaalsContact C-N 3.3Å; D70-V72 PolarHBondContact O-N 3.48Å; D70-V72 WeakPolarHBondContact OD1-CA 3.47Å; D70-V72 VanDerWaalsContact OD1-CB 3.32Å; D70-V72 WeakPolarHBondContact OD1-CB 3.48Å; D70-V72 PolarHBondContact OD1-N 3.47Å; D70-E73 PolarHBondContact N-OE2 3.04Å; D70-E73 PolarHBondContact O-N 3.47Å; D70-E73 WeakPolarHBondContact OD1-CG 3.37Å; D70-E73 PolarHBondContact OD1-N 2.91Å; D70-Y74 WeakPolarHBondContact O-CB 3.36Å; D70-Y74 PolarHBondContact O-N 3.46Å
71F84.3Confident83.1Confident25 Ų2544.3 Ų44.311%0.1126%0.258CS..Hα-helixtrans-63.8-34.9-179.4178.5-113.6000113.5M16 W19 Y20 F23 Y74 I75M16-F71 HydrophobicContact CE-CE1 3.94Å; M16-F71 HydrophobicContact CG-CE1 4.04Å; M16-F71 HydrophobicContact CG-CZ 4.2Å; W19-F71 HydrophobicContact CB-CE2 4.12Å; W19-F71 HydrophobicContact CB-CZ 4.2Å; Y20-F71 HydrophobicContact CD2-CB 4.44Å; Y20-F71 AromaticContact CD2-CD1 3.66Å; Y20-F71 HydrophobicContact CD2-CD1 3.66Å; Y20-F71 AromaticContact CD2-CD2 3.99Å; Y20-F71 HydrophobicContact CD2-CD2 3.99Å; Y20-F71 AromaticContact CD2-CE1 3.81Å; Y20-F71 HydrophobicContact CD2-CE1 3.81Å; Y20-F71 HydrophobicContact CD2-CE2 4.16Å; Y20-F71 AromaticContact CD2-CG 3.74Å; Y20-F71 HydrophobicContact CD2-CG 3.74Å; Y20-F71 HydrophobicContact CD2-CZ 4.06Å; Y20-F71 HydrophobicContact CE2-CD1 4.4Å; Y20-F71 HydrophobicContact CE2-CG 4.38Å; Y20-F71 HydrophobicContact CG-CE1 4.37Å; Y20-F71 HydrophobicContact CG-CZ 4.32Å; F23-F71 HydrophobicContact CB-CD2 3.81Å; F23-F71 HydrophobicContact CB-CE2 4.12Å; F23-F71 HydrophobicContact CD1-CB 4.03Å; F23-F71 AromaticContact CD1-CD2 3.84Å; F23-F71 HydrophobicContact CD1-CD2 3.84Å; F23-F71 HydrophobicContact CD1-CG 4.35Å; F23-F71 HydrophobicContact CD2-CD2 4.35Å; F23-F71 HydrophobicContact CE1-CB 3.87Å; F23-F71 HydrophobicContact CE1-CD2 4.46Å; F23-F71 AromaticContact CG-CD2 3.76Å; F23-F71 HydrophobicContact CG-CD2 3.76Å; F23-F71 HydrophobicContact CZ-CB 4.35Å; F71-Y74 HydrophobicContact CD2-CD1 4.34Å; F71-Y74 HydrophobicContact CE2-CD1 4.47Å; F71-I75 HydrophobicContact CD2-CG1 4.11Å; F71-I75 HydrophobicContact CE1-CG1 4.08Å; F71-I75 HydrophobicContact CE2-CD1 4Å; F71-I75 HydrophobicContact CE2-CG1 3.48Å; F71-I75 VanDerWaalsContact CE2-CG1 3.48Å; F71-I75 HydrophobicContact CZ-CD1 4.08Å; F71-I75 HydrophobicContact CZ-CG1 3.48Å; F71-I75 VanDerWaalsContact CZ-CG1 3.48Å; F71-I75 WeakPolarHBondContact O-CB 3.23Å; F71-I75 WeakPolarHBondContact O-CG1 3.42Å; F71-I75 PolarHBondContact O-N 2.75Å
72V86.2Confident82.5Confident100 Ų10048.1 Ų48.161%0.60628%0.278SS*.Hα-helixtrans-69.2-46.2-179.2177.90000109.6D70 I75 A76D70-V72 VanDerWaalsContact C-N 3.3Å; D70-V72 PolarHBondContact O-N 3.48Å; D70-V72 WeakPolarHBondContact OD1-CA 3.47Å; D70-V72 VanDerWaalsContact OD1-CB 3.32Å; D70-V72 WeakPolarHBondContact OD1-CB 3.48Å; D70-V72 PolarHBondContact OD1-N 3.47Å; V72-I75 PolarHBondContact O-N 2.7Å; V72-A76 WeakPolarHBondContact O-CB 3.34Å; V72-A76 PolarHBondContact O-N 2.84Å
73E86.4Confident81.6Confident10 Ų1054.5 Ų54.55%0.04731%0.306CS..Hα-helixtrans-64.2-42.7177.1-66.6173.3139.200111.5M63 D64 L69 D70 I75 A76 A77M63-E73 HydrophobicContact CG-CG 4.38Å; M63-E73 PolarHBondContact N-OE1 3.23Å; D64-E73 PolarHBondContact N-OE1 3Å; L69-E73 WeakPolarHBondContact CA-OE2 3.2Å; L69-E73 HydrophobicContact CD2-CB 4.24Å; D70-E73 PolarHBondContact N-OE2 3.04Å; D70-E73 PolarHBondContact O-N 3.47Å; D70-E73 WeakPolarHBondContact OD1-CG 3.37Å; D70-E73 PolarHBondContact OD1-N 2.91Å; E73-I75 PolarHBondContact O-N 3.44Å; E73-A76 PolarHBondContact O-N 3.44Å; E73-A77 WeakPolarHBondContact O-CB 3.45Å; E73-A77 PolarHBondContact O-N 2.8Å
74Y79.9Confident81Confident16 Ų1648.8 Ų48.86%0.06328%0.281CS..Hα-helixtrans-57.8-47.2173.6175.2-102.6000112.5W19 F23 I32 D70 F71 A77 I78 I179 L183W19-Y74 HydrophobicContact CE3-CE1 4.24Å; F23-Y74 HydrophobicContact CB-CD1 4.42Å; F23-Y74 HydrophobicContact CB-CE1 4.28Å; F23-Y74 AromaticContact CD2-CD1 3.64Å; F23-Y74 HydrophobicContact CD2-CD1 3.64Å; F23-Y74 HydrophobicContact CD2-CD2 4.11Å; F23-Y74 AromaticContact CD2-CE1 3.99Å; F23-Y74 HydrophobicContact CD2-CE1 3.99Å; F23-Y74 HydrophobicContact CD2-CE2 4.43Å; F23-Y74 AromaticContact CD2-CG 3.7Å; F23-Y74 HydrophobicContact CD2-CG 3.7Å; F23-Y74 HydrophobicContact CE2-CD1 4.29Å; F23-Y74 HydrophobicContact CE2-CD2 4.28Å; F23-Y74 AromaticContact CE2-CG 3.92Å; F23-Y74 HydrophobicContact CE2-CG 3.92Å; F23-Y74 HydrophobicContact CG-CD1 4.34Å; I32-Y74 HydrophobicContact CD1-CD2 3.89Å; I32-Y74 HydrophobicContact CD1-CE2 4.19Å; D70-Y74 WeakPolarHBondContact O-CB 3.36Å; D70-Y74 PolarHBondContact O-N 3.46Å; F71-Y74 HydrophobicContact CD2-CD1 4.34Å; F71-Y74 HydrophobicContact CE2-CD1 4.47Å; Y74-A77 WeakPolarHBondContact O-CB 3.29Å; Y74-A77 PolarHBondContact O-N 3Å; Y74-I78 HydrophobicContact CD1-CD1 3.81Å; Y74-I78 HydrophobicContact CD2-CD1 4.35Å; Y74-I78 HydrophobicContact CE1-CD1 3.25Å; Y74-I78 HydrophobicContact CE2-CD1 3.86Å; Y74-I78 HydrophobicContact CG-CD1 4.33Å; Y74-I78 WeakPolarHBondContact O-CG1 3.2Å; Y74-I78 PolarHBondContact O-N 2.77Å; Y74-I179 HydrophobicContact CE2-CG2 3.59Å; Y74-I179 VanDerWaalsContact OH-CG2 3.3Å; Y74-I179 WeakPolarHBondContact OH-CG2 3.36Å; Y74-L183 WeakPolarHBondContact OH-CD1 3.38Å
75I78.6Confident80.6Confident30 Ų3050.2 Ų50.215%0.15428%0.284CS..Hα-helixtrans-69.9-35.8178.1-75.6-63.7000112W19 F71 V72 E73 A77 I78 S79W19-I75 HydrophobicContact CB-CD1 3.38Å; W19-I75 HydrophobicContact CB-CG1 4.43Å; W19-I75 HydrophobicContact CD2-CD1 4.1Å; W19-I75 HydrophobicContact CG-CD1 3.56Å; F71-I75 HydrophobicContact CD2-CG1 4.11Å; F71-I75 HydrophobicContact CE1-CG1 4.08Å; F71-I75 HydrophobicContact CE2-CD1 4Å; F71-I75 HydrophobicContact CE2-CG1 3.48Å; F71-I75 VanDerWaalsContact CE2-CG1 3.48Å; F71-I75 HydrophobicContact CZ-CD1 4.08Å; F71-I75 HydrophobicContact CZ-CG1 3.48Å; F71-I75 VanDerWaalsContact CZ-CG1 3.48Å; F71-I75 WeakPolarHBondContact O-CB 3.23Å; F71-I75 WeakPolarHBondContact O-CG1 3.42Å; F71-I75 PolarHBondContact O-N 2.75Å; V72-I75 PolarHBondContact O-N 2.7Å; E73-I75 PolarHBondContact O-N 3.44Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-I78 HydrophobicContact CD1-CD1 4.46Å; I75-I78 PolarHBondContact O-N 3.06Å; I75-S79 VanDerWaalsContact O-CB 3.26Å; I75-S79 WeakPolarHBondContact O-CB 3.42Å; I75-S79 PolarHBondContact O-N 3.09Å; I75-S79 PolarHBondContact O-OG 3.23Å
76A80Confident80.2Confident35 Ų3551 Ų5129%0.28928%0.277SS..Hα-helixtrans-62-43.9173.900000110.9M63 V72 E73 S79 L80M63-A76 HydrophobicContact CE-CB 3.87Å; V72-A76 WeakPolarHBondContact O-CB 3.34Å; V72-A76 PolarHBondContact O-N 2.84Å; E73-A76 PolarHBondContact O-N 3.44Å; A76-S79 PolarHBondContact O-N 3.44Å; A76-L80 WeakPolarHBondContact O-CB 3.13Å; A76-L80 PolarHBondContact O-N 2.77Å
77A78.1Confident79.7Confident11 Ų1149.9 Ų49.99%0.09127%0.271CS..Hα-helixtrans-58.8-50.6174.900000111.6F61 E73 Y74 I75 S79 L80 L81F61-A77 HydrophobicContact CB-CB 4.34Å; F61-A77 HydrophobicContact CD1-CB 3.31Å; F61-A77 HydrophobicContact CD2-CB 4Å; F61-A77 VanDerWaalsContact CE1-CA 3.5Å; F61-A77 HydrophobicContact CE1-CB 3.43Å; F61-A77 VanDerWaalsContact CE1-CB 3.43Å; F61-A77 HydrophobicContact CE2-CB 4.07Å; F61-A77 HydrophobicContact CG-CB 3.63Å; F61-A77 HydrophobicContact CZ-CB 3.81Å; E73-A77 WeakPolarHBondContact O-CB 3.45Å; E73-A77 PolarHBondContact O-N 2.8Å; Y74-A77 WeakPolarHBondContact O-CB 3.29Å; Y74-A77 PolarHBondContact O-N 3Å; I75-A77 VanDerWaalsContact C-N 3.34Å; A77-S79 VanDerWaalsContact C-N 3.33Å; A77-S79 PolarHBondContact O-N 2.75Å; A77-L80 PolarHBondContact O-N 2.83Å; A77-L81 VanDerWaalsContact O-CG 3.25Å; A77-L81 WeakPolarHBondContact O-CG 3.41Å; A77-L81 PolarHBondContact O-N 2.91Å
78I74.6Confident79.4Confident9 Ų953.3 Ų53.35%0.04628%0.279CS..Hα-helixtrans-60.1-44177.5-71.4169.4000111.6W19 Y74 I75 L80 L81 L82 L176W19-I78 HydrophobicContact CE3-CD1 3.81Å; W19-I78 HydrophobicContact CH2-CD1 4.2Å; W19-I78 HydrophobicContact CH2-CG2 4.24Å; W19-I78 HydrophobicContact CZ2-CG2 4.24Å; W19-I78 HydrophobicContact CZ3-CD1 3.63Å; Y74-I78 HydrophobicContact CD1-CD1 3.81Å; Y74-I78 HydrophobicContact CD2-CD1 4.35Å; Y74-I78 HydrophobicContact CE1-CD1 3.25Å; Y74-I78 HydrophobicContact CE2-CD1 3.86Å; Y74-I78 HydrophobicContact CG-CD1 4.33Å; Y74-I78 WeakPolarHBondContact O-CG1 3.2Å; Y74-I78 PolarHBondContact O-N 2.77Å; I75-I78 HydrophobicContact CD1-CD1 4.46Å; I75-I78 PolarHBondContact O-N 3.06Å; I78-L80 PolarHBondContact O-N 3.34Å; I78-L81 PolarHBondContact O-N 2.99Å; I78-L82 HydrophobicContact CG2-CD1 3.51Å; I78-L82 HydrophobicContact CG2-CG 4.14Å; I78-L82 WeakPolarHBondContact O-CB 3.38Å; I78-L82 WeakPolarHBondContact O-CG 3.23Å; I78-L82 PolarHBondContact O-N 3.03Å; I78-L176 HydrophobicContact CG1-CD2 4.09Å
79S76.7Confident79Confident49 Ų4950.8 Ų50.834%0.34327%0.27SS..Hα-helixtrans-63.4-43.3-178.8-61.90000111.4I75 A76 A77 K83 G84I75-S79 VanDerWaalsContact O-CB 3.26Å; I75-S79 WeakPolarHBondContact O-CB 3.42Å; I75-S79 PolarHBondContact O-N 3.09Å; I75-S79 PolarHBondContact O-OG 3.23Å; A76-S79 PolarHBondContact O-N 3.44Å; A77-S79 VanDerWaalsContact C-N 3.33Å; A77-S79 PolarHBondContact O-N 2.75Å; S79-K83 CarbonylContact O-C 3.6Å; S79-K83 WeakPolarHBondContact O-CA 3.31Å; S79-K83 PolarHBondContact O-N 3.24Å; S79-G84 PolarHBondContact O-N 2.87Å; S79-G84 VanDerWaalsContact O-N 3.1Å
80L77.8Confident78.8Confident34 Ų3450.2 Ų50.218%0.17827%0.267CS..Hα-helixtrans-62.7-45176.4-179.864.7000111.7F61 A76 A77 I78 G84 Q88 K89 W92F61-L80 HydrophobicContact CE1-CD2 4.17Å; A76-L80 WeakPolarHBondContact O-CB 3.13Å; A76-L80 PolarHBondContact O-N 2.77Å; A77-L80 PolarHBondContact O-N 2.83Å; I78-L80 PolarHBondContact O-N 3.34Å; L80-G84 WeakPolarHBondContact O-CA 3.29Å; L80-G84 PolarHBondContact O-N 3Å; L80-Q88 HydrophobicContact CD1-CB 3.64Å; L80-K89 WeakPolarHBondContact O-CE 3.13Å; L80-W92 HydrophobicContact CD2-CB 3.76Å; L80-W92 HydrophobicContact CD2-CD2 4.15Å; L80-W92 HydrophobicContact CD2-CG 3.55Å
81L73.3Confident78.8Confident23 Ų2353.6 Ų53.612%0.1228%0.28CS..Hα-helixtrans-71.7-44-176.3-65174.1000112.2F61 A77 I78 K89 W92 L172 L176F61-L81 HydrophobicContact CZ-CD1 4.15Å; F61-L81 HydrophobicContact CZ-CD2 4.43Å; F61-L81 HydrophobicContact CZ-CG 4.29Å; A77-L81 VanDerWaalsContact O-CG 3.25Å; A77-L81 WeakPolarHBondContact O-CG 3.41Å; A77-L81 PolarHBondContact O-N 2.91Å; I78-L81 PolarHBondContact O-N 2.99Å; L81-K89 WeakPolarHBondContact O-CE 3.34Å; L81-K89 PolarHBondContact O-NZ 3.39Å; L81-W92 HydrophobicContact CD2-CZ3 4.35Å; L81-L172 HydrophobicContact CD1-CB 4.26Å; L81-L172 HydrophobicContact CD1-CD1 4.18Å; L81-L172 HydrophobicContact CD2-CB 4.14Å; L81-L172 HydrophobicContact CD2-CD1 3.96Å; L81-L172 HydrophobicContact CD2-CG 4.46Å; L81-L176 HydrophobicContact CB-CD1 3.41Å; L81-L176 VanDerWaalsContact CB-CD1 3.41Å; L81-L176 HydrophobicContact CB-CD2 4.29Å; L81-L176 HydrophobicContact CB-CG 4.02Å; L81-L176 HydrophobicContact CD1-CD1 4.11Å; L81-L176 HydrophobicContact CD1-CD2 4.12Å; L81-L176 HydrophobicContact CD1-CG 3.8Å; L81-L176 HydrophobicContact CG-CD1 4.38Å
82L69.3Low78.8Confident95 Ų9553.2 Ų53.250%0.49728%0.277SS..Hα-helixtrans-78.6-41.2-177.9-66.3179.7000113.6I78 L176I78-L82 HydrophobicContact CG2-CD1 3.51Å; I78-L82 HydrophobicContact CG2-CG 4.14Å; I78-L82 WeakPolarHBondContact O-CB 3.38Å; I78-L82 WeakPolarHBondContact O-CG 3.23Å; I78-L82 PolarHBondContact O-N 3.03Å; L82-L176 HydrophobicContact CD2-CD1 3.67Å; L82-L176 HydrophobicContact CD2-CD2 4.47Å; L82-L176 HydrophobicContact CG-CD1 4.12Å; L82-L176 HydrophobicContact CG-CD2 4.39Å
83K68.3Low78.8Confident144 Ų14448.8 Ų48.863%0.62625%0.25SC*.Hα-helixtrans-129.3-1.5-166.6-62.7-179.6-178.1172.90113.7S79 E85S79-K83 CarbonylContact O-C 3.6Å; S79-K83 WeakPolarHBondContact O-CA 3.31Å; S79-K83 PolarHBondContact O-N 3.24Å; K83-E85 PolarHBondContact O-N 2.92Å
84G70Confident78.8Confident12 Ų1249 Ų4912%0.12425%0.25CS..  trans-59.7136.3179.300000111.8S79 L80 K89S79-G84 PolarHBondContact O-N 2.87Å; S79-G84 VanDerWaalsContact O-N 3.1Å; L80-G84 WeakPolarHBondContact O-CA 3.29Å; L80-G84 PolarHBondContact O-N 3Å; G84-K89 VanDerWaalsContact O-CE 3.29Å; G84-K89 WeakPolarHBondContact O-CE 3.32Å
85E79Confident79.1Confident133 Ų13353.3 Ų53.362%0.62127%0.27SS*.  trans-62.7153.5172.2-65.5-165.1148.300110.2K83 N87 Q88 K89K83-E85 PolarHBondContact O-N 2.92Å; E85-N87 PolarHBondContact O-N 2.86Å; E85-Q88 HydrophobicContact CB-CG 4.44Å; E85-Q88 WeakPolarHBondContact O-CB 3.25Å; E85-Q88 PolarHBondContact O-N 3.48Å; E85-K89 PolarHBondContact O-N 3.28Å
86V78.2Confident79.4Confident77 Ų7751.9 Ų51.947%0.46726%0.262SS..Hα-helixtrans-47.4-39.8179.8175.20000112K89 L90 M163V86-K89 PolarHBondContact O-N 2.75Å; V86-L90 HydrophobicContact CG1-CD1 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CB 3.47Å; V86-L90 VanDerWaalsContact O-CG 3.3Å; V86-L90 WeakPolarHBondContact O-CG 3.09Å; V86-L90 PolarHBondContact O-N 3.46Å; V86-M163 HydrophobicContact CG1-CE 3.76Å; V86-M163 HydrophobicContact CG1-SD 3.79Å
87N80.3Confident79.7Confident52 Ų5250.2 Ų50.228%0.27825%0.249SC..Hα-helixtrans-71.8-34.5-178.4-57-32.8000113.7E85 K89 K91 R157E85-N87 PolarHBondContact O-N 2.86Å; N87-K89 VanDerWaalsContact C-N 3.34Å; N87-K91 WeakPolarHBondContact O-CB 3.33Å; N87-K91 VanDerWaalsContact O-CG 3.3Å; N87-K91 WeakPolarHBondContact O-CG 3.4Å; N87-K91 PolarHBondContact O-N 3.36Å; N87-R157 PolarHBondContact ND2-NH2 3Å; N87-R157 VanDerWaalsContact OD1-CZ 3.22Å; N87-R157 PolarHBondContact OD1-NE 3.47Å; N87-R157 VanDerWaalsContact OD1-NE 3.08Å; N87-R157 PolarHBondContact OD1-NH2 3.3Å
88Q81.6Confident80.3Confident101 Ų10150.6 Ų50.647%0.47225%0.249SC..Hα-helixtrans-69-41.3175.7-63.3175.6-61.600109.4L80 E85 K91 W92L80-Q88 HydrophobicContact CD1-CB 3.64Å; E85-Q88 HydrophobicContact CB-CG 4.44Å; E85-Q88 WeakPolarHBondContact O-CB 3.25Å; E85-Q88 PolarHBondContact O-N 3.48Å; Q88-K91 PolarHBondContact O-N 2.71Å; Q88-W92 WeakPolarHBondContact O-CB 3.31Å; Q88-W92 PolarHBondContact O-N 3.46Å
89K81.4Confident80.6Confident47 Ų4753.7 Ų53.720%0.20426%0.263CS..Hα-helixtrans-61.9-46.8174.4-66.4-174.3172.8-168.50112L80 L81 G84 E85 V86 N87 K91 W92 Y93L80-K89 WeakPolarHBondContact O-CE 3.13Å; L81-K89 WeakPolarHBondContact O-CE 3.34Å; L81-K89 PolarHBondContact O-NZ 3.39Å; G84-K89 VanDerWaalsContact O-CE 3.29Å; G84-K89 WeakPolarHBondContact O-CE 3.32Å; E85-K89 PolarHBondContact O-N 3.28Å; V86-K89 PolarHBondContact O-N 2.75Å; N87-K89 VanDerWaalsContact C-N 3.34Å; K89-K91 PolarHBondContact O-N 3.36Å; K89-W92 CarbonylContact O-C 3.55Å; K89-W92 WeakPolarHBondContact O-CB 3.43Å; K89-W92 PolarHBondContact O-N 2.93Å; K89-W92 VanDerWaalsContact O-N 3.14Å; K89-Y93 HydrophobicContact CB-CE2 4.06Å; K89-Y93 WeakPolarHBondContact O-CD2 3.49Å; K89-Y93 PolarHBondContact O-N 3.11Å
90L83.4Confident81Confident0 Ų056.2 Ų56.20%027%0.273CS..Hα-helixtrans-62-41.4177.4-73.2171000112.8V86 W92 Y93 F94 F152 I153 A156 R157 M163 L166V86-L90 HydrophobicContact CG1-CD1 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CB 3.47Å; V86-L90 VanDerWaalsContact O-CG 3.3Å; V86-L90 WeakPolarHBondContact O-CG 3.09Å; V86-L90 PolarHBondContact O-N 3.46Å; L90-W92 VanDerWaalsContact C-N 3.28Å; L90-W92 PolarHBondContact O-N 3.11Å; L90-Y93 HydrophobicContact CD2-CD2 4.25Å; L90-Y93 PolarHBondContact O-N 3.35Å; L90-F94 WeakPolarHBondContact O-CB 3.17Å; L90-F94 PolarHBondContact O-N 2.92Å; L90-F152 HydrophobicContact CB-CE1 4.44Å; L90-F152 HydrophobicContact CD2-CE1 3.9Å; L90-F152 HydrophobicContact CD2-CZ 4.45Å; L90-I153 HydrophobicContact CB-CG1 4.09Å; L90-I153 HydrophobicContact CD1-CG2 4.34Å; L90-A156 HydrophobicContact CD1-CB 4.25Å; L90-A156 HydrophobicContact CD2-CB 3.77Å; L90-R157 HydrophobicContact CD1-CG 4.5Å; L90-M163 HydrophobicContact CD1-SD 4.01Å; L90-M163 HydrophobicContact CD2-CE 3.87Å; L90-M163 HydrophobicContact CD2-SD 3.87Å; L90-M163 HydrophobicContact CG-CE 4.13Å; L90-M163 HydrophobicContact CG-SD 4.19Å; L90-L166 HydrophobicContact CD2-CD1 4.37Å
91K86.8Confident81.4Confident123 Ų12357.3 Ų57.354%0.53529%0.293SS..Hα-helixtrans-62.5-37.9174-76.3177.1177.3-172.80112.2N87 Q88 K89 F94 K95 L149 I153N87-K91 WeakPolarHBondContact O-CB 3.33Å; N87-K91 VanDerWaalsContact O-CG 3.3Å; N87-K91 WeakPolarHBondContact O-CG 3.4Å; N87-K91 PolarHBondContact O-N 3.36Å; Q88-K91 PolarHBondContact O-N 2.71Å; K89-K91 PolarHBondContact O-N 3.36Å; K91-F94 WeakPolarHBondContact O-CB 3.48Å; K91-K95 PolarHBondContact O-N 3.41Å; K91-K95 VanDerWaalsContact O-N 3.12Å; K91-L149 HydrophobicContact CG-CD1 4.26Å; K91-I153 HydrophobicContact CG-CD1 3.89Å
92W85.3Confident82.1Confident17 Ų1759.8 Ų59.86%0.06431%0.306CS..Hα-helixtrans-70.2-44.4176.6179.776.6000111.9V57 T60 F61 L80 L81 Q88 K89 L90 F94 K95 L96 M170 L172V57-W92 HydrophobicContact CG1-CZ2 4.45Å; T60-W92 PolarHBondContact OG1-NE1 3.38Å; T60-W92 VanDerWaalsContact OG1-NE1 3.11Å; F61-W92 AromaticContact CE1-CE2 3.91Å; F61-W92 HydrophobicContact CE1-CZ2 4.24Å; F61-W92 AromaticContact CE1-NE1 3.51Å; F61-W92 AromaticContact CE2-CZ2 3.7Å; F61-W92 HydrophobicContact CE2-CZ2 3.7Å; F61-W92 AromaticContact CZ-CE2 3.58Å; F61-W92 HydrophobicContact CZ-CH2 4.33Å; F61-W92 AromaticContact CZ-CZ2 3.46Å; F61-W92 HydrophobicContact CZ-CZ2 3.46Å; F61-W92 VanDerWaalsContact CZ-CZ2 3.46Å; F61-W92 AromaticContact CZ-NE1 3.65Å; L80-W92 HydrophobicContact CD2-CB 3.76Å; L80-W92 HydrophobicContact CD2-CD2 4.15Å; L80-W92 HydrophobicContact CD2-CG 3.55Å; L81-W92 HydrophobicContact CD2-CZ3 4.35Å; Q88-W92 WeakPolarHBondContact O-CB 3.31Å; Q88-W92 PolarHBondContact O-N 3.46Å; K89-W92 CarbonylContact O-C 3.55Å; K89-W92 WeakPolarHBondContact O-CB 3.43Å; K89-W92 PolarHBondContact O-N 2.93Å; K89-W92 VanDerWaalsContact O-N 3.14Å; L90-W92 VanDerWaalsContact C-N 3.28Å; L90-W92 PolarHBondContact O-N 3.11Å; W92-F94 PolarHBondContact O-N 3.41Å; W92-K95 PolarHBondContact O-N 3.02Å; W92-K95 VanDerWaalsContact O-N 3.15Å; W92-L96 HydrophobicContact CH2-CD2 4.02Å; W92-L96 HydrophobicContact CZ3-CD2 4.45Å; W92-L96 PolarHBondContact O-N 3.33Å; W92-M170 HydrophobicContact CH2-CE 4.37Å; W92-M170 HydrophobicContact CZ3-CE 3.98Å; W92-L172 HydrophobicContact CH2-CD1 3.45Å; W92-L172 VanDerWaalsContact CH2-CD1 3.45Å; W92-L172 HydrophobicContact CH2-CG 4.42Å; W92-L172 HydrophobicContact CZ2-CD1 4.25Å; W92-L172 HydrophobicContact CZ3-CD1 4.11Å
93Y85.2Confident83.1Confident6 Ų657 Ų572%0.02430%0.3CS..Hα-helixtrans-57.2-40.5172.7-59.9-28.5000111.4K89 L90 L96 F97 M170K89-Y93 HydrophobicContact CB-CE2 4.06Å; K89-Y93 WeakPolarHBondContact O-CD2 3.49Å; K89-Y93 PolarHBondContact O-N 3.11Å; L90-Y93 HydrophobicContact CD2-CD2 4.25Å; L90-Y93 PolarHBondContact O-N 3.35Å; Y93-L96 WeakPolarHBondContact O-CB 3.49Å; Y93-L96 PolarHBondContact O-N 2.93Å; Y93-F97 WeakPolarHBondContact O-CD1 3.4Å; Y93-F97 WeakPolarHBondContact O-CG 3.47Å; Y93-F97 PolarHBondContact O-N 2.75Å; Y93-M170 HydrophobicContact CD1-CB 3.76Å; Y93-M170 HydrophobicContact CD1-CE 3.63Å; Y93-M170 HydrophobicContact CD1-CG 3.77Å; Y93-M170 HydrophobicContact CD2-CG 4.34Å; Y93-M170 HydrophobicContact CE1-CB 3.23Å; Y93-M170 HydrophobicContact CE1-CE 4.06Å; Y93-M170 HydrophobicContact CE1-CG 3.79Å; Y93-M170 HydrophobicContact CE2-CB 4.07Å; Y93-M170 HydrophobicContact CE2-CG 4.34Å; Y93-M170 HydrophobicContact CG-CB 4.41Å; Y93-M170 HydrophobicContact CG-CE 4.46Å; Y93-M170 HydrophobicContact CG-CG 4.08Å
94F88.2Confident84.2Confident14 Ų1453.2 Ų53.26%0.06128%0.284CS..Hα-helixtrans-59.2-50.3175.3-174.5-84.5000111.9L90 K91 W92 L96 F97 D98 G103 I105 L149 F152L90-F94 WeakPolarHBondContact O-CB 3.17Å; L90-F94 PolarHBondContact O-N 2.92Å; K91-F94 WeakPolarHBondContact O-CB 3.48Å; W92-F94 PolarHBondContact O-N 3.41Å; F94-L96 PolarHBondContact O-N 2.86Å; F94-F97 PolarHBondContact O-N 3.01Å; F94-F97 VanDerWaalsContact O-N 3.11Å; F94-D98 HydrophobicContact CE1-CB 4.2Å; F94-D98 WeakPolarHBondContact O-CB 3.31Å; F94-D98 PolarHBondContact O-N 3.46Å; F94-G103 WeakPolarHBondContact CZ-O 3.47Å; F94-I105 HydrophobicContact CD2-CD1 3.24Å; F94-I105 HydrophobicContact CD2-CG1 3.93Å; F94-I105 HydrophobicContact CE2-CD1 3.4Å; F94-I105 HydrophobicContact CE2-CG1 3.61Å; F94-I105 HydrophobicContact CG-CD1 3.98Å; F94-I105 HydrophobicContact CZ-CD1 4.26Å; F94-I105 HydrophobicContact CZ-CG1 4.03Å; F94-L149 HydrophobicContact CB-CD1 3.54Å; F94-L149 HydrophobicContact CD1-CB 4.27Å; F94-L149 HydrophobicContact CD1-CD1 3.78Å; F94-L149 HydrophobicContact CD2-CB 4.1Å; F94-L149 HydrophobicContact CD2-CD1 3.74Å; F94-L149 HydrophobicContact CE1-CB 4.12Å; F94-L149 HydrophobicContact CE1-CD1 4.48Å; F94-L149 HydrophobicContact CE2-CB 3.95Å; F94-L149 HydrophobicContact CE2-CD1 4.44Å; F94-L149 HydrophobicContact CG-CB 4.27Å; F94-L149 HydrophobicContact CG-CD1 3.37Å; F94-L149 HydrophobicContact CG-CG 4.41Å; F94-L149 HydrophobicContact CZ-CB 3.96Å; F94-F152 HydrophobicContact CB-CD1 4.14Å; F94-F152 HydrophobicContact CB-CE1 4.4Å; F94-F152 HydrophobicContact CD2-CB 3.89Å; F94-F152 HydrophobicContact CD2-CD1 4.07Å; F94-F152 HydrophobicContact CD2-CG 4.05Å; F94-F152 HydrophobicContact CE2-CB 4.32Å
95K86.3Confident85.2Confident108 Ų10852.6 Ų52.647%0.4728%0.278SS..Hα-helixtrans-59.7-31.6176.9-170.8-173.2172.4-168.40112.2T60 K91 W92T60-K95 HydrophobicContact CG2-CD 4.29Å; T60-K95 HydrophobicContact CG2-CG 4.23Å; T60-K95 PolarHBondContact O-NZ 3.38Å; K91-K95 PolarHBondContact O-N 3.41Å; K91-K95 VanDerWaalsContact O-N 3.12Å; W92-K95 PolarHBondContact O-N 3.02Å; W92-K95 VanDerWaalsContact O-N 3.15Å
96L84.3Confident85.8Confident0 Ų048.5 Ų48.50%026%0.26CS..Hα-helixtrans-76.1-32.9177.8-169.475.6000112.6Y53 Q56 V57 T60 W92 Y93 F94 M170Y53-L96 HydrophobicContact CD2-CD2 4.48Å; Y53-L96 HydrophobicContact CE2-CD2 3.64Å; Q56-L96 HydrophobicContact CB-CD1 3.72Å; V57-L96 HydrophobicContact CB-CD1 4.39Å; V57-L96 HydrophobicContact CG2-CD1 3.79Å; V57-L96 HydrophobicContact CG2-CD2 4.16Å; T60-L96 HydrophobicContact CG2-CB 4.28Å; T60-L96 HydrophobicContact CG2-CD1 3.73Å; W92-L96 HydrophobicContact CH2-CD2 4.02Å; W92-L96 HydrophobicContact CZ3-CD2 4.45Å; W92-L96 PolarHBondContact O-N 3.33Å; Y93-L96 WeakPolarHBondContact O-CB 3.49Å; Y93-L96 PolarHBondContact O-N 2.93Å; F94-L96 PolarHBondContact O-N 2.86Å; L96-M170 HydrophobicContact CD2-CE 3.16Å
97F86.6Confident86.3Confident0 Ų049.9 Ų49.90%026%0.26CS..Hα-helixtrans-79.6-38.9-179.2-63.7-12.9000112.1Y93 F94 Q99 I105 E109 L110 I113 F152 L166 M170Y93-F97 WeakPolarHBondContact O-CD1 3.4Å; Y93-F97 WeakPolarHBondContact O-CG 3.47Å; Y93-F97 PolarHBondContact O-N 2.75Å; F94-F97 PolarHBondContact O-N 3.01Å; F94-F97 VanDerWaalsContact O-N 3.11Å; F97-Q99 PolarHBondContact O-N 3.34Å; F97-I105 HydrophobicContact CB-CD1 3.69Å; F97-I105 HydrophobicContact CB-CG1 3.93Å; F97-I105 HydrophobicContact CB-CG2 4.02Å; F97-I105 HydrophobicContact CD2-CD1 4.03Å; F97-I105 HydrophobicContact CG-CD1 4.39Å; F97-E109 WeakPolarHBondContact O-CB 3.35Å; F97-L110 HydrophobicContact CD2-CD2 3.72Å; F97-L110 HydrophobicContact CE2-CD2 3.97Å; F97-L110 HydrophobicContact CG-CD2 4.24Å; F97-I113 HydrophobicContact CD1-CB 4.09Å; F97-I113 HydrophobicContact CD1-CG1 3.96Å; F97-I113 HydrophobicContact CD1-CG2 3.65Å; F97-I113 HydrophobicContact CE1-CB 4.29Å; F97-I113 HydrophobicContact CE1-CG2 3.43Å; F97-I113 VanDerWaalsContact CE1-CG2 3.43Å; F97-I113 HydrophobicContact CZ-CG2 4.48Å; F97-F152 AromaticContact CD2-CE2 3.99Å; F97-F152 HydrophobicContact CD2-CE2 3.99Å; F97-F152 AromaticContact CD2-CZ 3.95Å; F97-F152 HydrophobicContact CD2-CZ 3.95Å; F97-F152 AromaticContact CE2-CE2 3.85Å; F97-F152 HydrophobicContact CE2-CE2 3.85Å; F97-F152 AromaticContact CE2-CZ 3.64Å; F97-F152 HydrophobicContact CE2-CZ 3.64Å; F97-L166 HydrophobicContact CE2-CD2 3.9Å; F97-L166 HydrophobicContact CZ-CD2 4.04Å; F97-M170 HydrophobicContact CE1-CE 3.97Å; F97-M170 HydrophobicContact CE1-SD 3.67Å; F97-M170 HydrophobicContact CZ-CE 4.46Å; F97-M170 HydrophobicContact CZ-CG 4.17Å; F97-M170 HydrophobicContact CZ-SD 3.85Å
98D89Confident86.7Confident18 Ų1852.8 Ų52.810%0.09628%0.275CS..  trans-72.486.6175.3177.910.6000110.1F94 G101 N102 G103 I105F94-D98 HydrophobicContact CE1-CB 4.2Å; F94-D98 WeakPolarHBondContact O-CB 3.31Å; F94-D98 PolarHBondContact O-N 3.46Å; D98-G101 WeakPolarHBondContact OD1-CA 3.3Å; D98-G101 PolarHBondContact OD1-N 3.36Å; D98-N102 PolarHBondContact OD1-N 2.98Å; D98-G103 WeakPolarHBondContact OD2-CA 3.4Å; D98-G103 PolarHBondContact OD2-N 3.4Å; D98-I105 HydrophobicContact CB-CG1 4.26Å
99Q82.1Confident87.1Confident75 Ų7548.5 Ų48.535%0.3526%0.255SS..SBendtrans-76.9-34.1-172.6-69.4-172.2500112.1F97 G101 E109F97-Q99 PolarHBondContact O-N 3.34Å; Q99-G101 VanDerWaalsContact C-N 3.35Å; Q99-E109 HydrophobicContact CB-CG 4.42Å; Q99-E109 PolarHBondContact N-OE1 3.43Å
100D85.4Confident87.3Confident102 Ų10246.2 Ų46.255%0.54525%0.245SC..SBendtrans-85.8-10.5179.178.8-2.3000113N102 E109D100-N102 VanDerWaalsContact C-N 3.3Å; D100-N102 WeakPolarHBondContact OD1-CB 3.21Å; D100-N102 PolarHBondContact OD1-N 2.9Å; D100-N102 PolarHBondContact OD1-ND2 2.98Å; D100-N102 PolarHBondContact OD2-ND2 3.35Å; D100-E109 PolarHBondContact N-OE1 3.4Å
101G85.3Confident87.6Confident57 Ų5748.3 Ų48.359%0.58826%0.255SS*.  trans72.322.4177.100000113D98 Q99 G103D98-G101 WeakPolarHBondContact OD1-CA 3.3Å; D98-G101 PolarHBondContact OD1-N 3.36Å; Q99-G101 VanDerWaalsContact C-N 3.35Å; G101-G103 PolarHBondContact O-N 3.39Å
102N89.3Confident87.5Confident74 Ų7445 Ų4540%0.39625%0.246SC..SBendtrans-76.3-6-178.475.633.4000112.9D98 D100 K104D98-N102 PolarHBondContact OD1-N 2.98Å; D100-N102 VanDerWaalsContact C-N 3.3Å; D100-N102 WeakPolarHBondContact OD1-CB 3.21Å; D100-N102 PolarHBondContact OD1-N 2.9Å; D100-N102 PolarHBondContact OD1-ND2 2.98Å; D100-N102 PolarHBondContact OD2-ND2 3.35Å; N102-K104 WeakPolarHBondContact OD1-CA 3.26Å; N102-K104 VanDerWaalsContact OD1-CB 3.26Å; N102-K104 WeakPolarHBondContact OD1-CB 3.42Å; N102-K104 PolarHBondContact OD1-N 2.75Å; N102-K104 PolarHBondContact OD1-O 3.35Å; N102-K104 VanDerWaalsContact OD1-O 3.05Å
103G89.6Confident87.4Confident37 Ų3744.3 Ų44.338%0.38124%0.243SC..SBendtrans84.114.5179.100000113.8F94 D98 G101F94-G103 WeakPolarHBondContact CZ-O 3.47Å; D98-G103 WeakPolarHBondContact OD2-CA 3.4Å; D98-G103 PolarHBondContact OD2-N 3.4Å; G101-G103 PolarHBondContact O-N 3.39Å
104K91.6Very high87.3Confident64 Ų6444 Ų4428%0.27824%0.242SC..EExtended strand (participates in β ladder)trans-141157.6175.9-52-176-177.6-172.70109N102 E146 L147 T148N102-K104 WeakPolarHBondContact OD1-CA 3.26Å; N102-K104 VanDerWaalsContact OD1-CB 3.26Å; N102-K104 WeakPolarHBondContact OD1-CB 3.42Å; N102-K104 PolarHBondContact OD1-N 2.75Å; N102-K104 PolarHBondContact OD1-O 3.35Å; N102-K104 VanDerWaalsContact OD1-O 3.05Å; K104-E146 HydrophobicContact CB-CB 4.15Å; K104-E146 HydrophobicContact CD-CB 3.88Å; K104-E146 HydrophobicContact CD-CG 4.43Å; K104-E146 WeakPolarHBondContact CD-OE2 3.47Å; K104-E146 WeakPolarHBondContact CE-OE2 3.37Å; K104-E146 IonicContact NZ-OE2 2.69Å; K104-E146 PolarHBondContact NZ-OE2 3.48Å; K104-L147 CarbonylContact C-O 3.55Å; K104-L147 VanDerWaalsContact CA-O 3.3Å; K104-L147 WeakPolarHBondContact CA-O 3.43Å; K104-T148 HydrophobicContact CG-CG2 4.48Å
105I90.8Very high87.1Confident0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-112.9122177.5-57.8162.1000108.9F94 F97 D98 E109 L110 Y136 L147 F152F94-I105 HydrophobicContact CD2-CD1 3.24Å; F94-I105 HydrophobicContact CD2-CG1 3.93Å; F94-I105 HydrophobicContact CE2-CD1 3.4Å; F94-I105 HydrophobicContact CE2-CG1 3.61Å; F94-I105 HydrophobicContact CG-CD1 3.98Å; F94-I105 HydrophobicContact CZ-CD1 4.26Å; F94-I105 HydrophobicContact CZ-CG1 4.03Å; F97-I105 HydrophobicContact CB-CD1 3.69Å; F97-I105 HydrophobicContact CB-CG1 3.93Å; F97-I105 HydrophobicContact CB-CG2 4.02Å; F97-I105 HydrophobicContact CD2-CD1 4.03Å; F97-I105 HydrophobicContact CG-CD1 4.39Å; D98-I105 HydrophobicContact CB-CG1 4.26Å; I105-E109 VanDerWaalsContact CA-OE2 3.32Å; I105-E109 WeakPolarHBondContact CA-OE2 3.25Å; I105-E109 HydrophobicContact CG2-CB 4.25Å; I105-L110 HydrophobicContact CG2-CD1 3.68Å; I105-L110 HydrophobicContact CG2-CD2 4.22Å; I105-L110 HydrophobicContact CG2-CG 3.48Å; I105-L110 VanDerWaalsContact CG2-CG 3.48Å; I105-Y136 PolarHBondContact O-OH 3.14Å; I105-L147 HydrophobicContact CB-CB 4.33Å; I105-L147 PolarHBondContact N-O 2.81Å; I105-L147 PolarHBondContact O-N 2.91Å; I105-F152 HydrophobicContact CD1-CD2 4.21Å; I105-F152 HydrophobicContact CD1-CG 4.4Å
106D91.1Very high86.8Confident47 Ų4741.8 Ų41.825%0.25123%0.232SC..  trans-90.2-179.9174.477.538.9000112.6D108 E109 L110 Y136D106-D108 WeakPolarHBondContact OD1-CA 3.39Å; D106-D108 WeakPolarHBondContact OD1-CB 3.26Å; D106-D108 PolarHBondContact OD1-N 2.85Å; D106-E109 PolarHBondContact N-OE2 2.91Å; D106-E109 WeakPolarHBondContact OD1-CG 3.23Å; D106-E109 PolarHBondContact OD1-N 2.78Å; D106-L110 PolarHBondContact O-N 3.06Å; D106-Y136 VanDerWaalsContact CA-OH 3.28Å; D106-Y136 WeakPolarHBondContact CA-OH 3.41Å; D106-Y136 PolarHBondContact O-OH 3.34Å
107K88.6Confident86.3Confident105 Ų10542 Ų4246%0.45723%0.234SC..Hα-helixtrans-72.6-39-178-75.9-176.6178-178.70112.3E109 L110 E111 V132 Y136K107-E109 VanDerWaalsContact C-N 3.34Å; K107-L110 PolarHBondContact O-N 3.27Å; K107-E111 WeakPolarHBondContact O-CB 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.02Å; K107-E111 PolarHBondContact O-N 3.31Å; K107-V132 HydrophobicContact CB-CG1 4.33Å; K107-V132 HydrophobicContact CG-CG1 4.23Å; K107-Y136 HydrophobicContact CB-CE2 4.35Å; K107-Y136 HydrophobicContact CG-CD1 4.29Å; K107-Y136 HydrophobicContact CG-CD2 3.98Å; K107-Y136 HydrophobicContact CG-CE1 3.83Å; K107-Y136 HydrophobicContact CG-CE2 3.46Å; K107-Y136 VanDerWaalsContact CG-CE2 3.46Å; K107-Y136 HydrophobicContact CG-CG 4.37Å; K107-Y136 PolarHBondContact N-OH 3.39Å; K107-Y136 VanDerWaalsContact N-OH 3.11Å
108D88.8Confident85.9Confident113 Ų11342.8 Ų42.860%0.60424%0.237SC*.Hα-helixtrans-69.6-38.1-175.7-66.6-26.2000109.8D106 E111 T112D106-D108 WeakPolarHBondContact OD1-CA 3.39Å; D106-D108 WeakPolarHBondContact OD1-CB 3.26Å; D106-D108 PolarHBondContact OD1-N 2.85Å; D108-E111 PolarHBondContact O-N 3.09Å; D108-T112 VanDerWaalsContact O-CB 3.3Å; D108-T112 WeakPolarHBondContact O-CB 3.2Å; D108-T112 PolarHBondContact O-N 3.18Å; D108-T112 PolarHBondContact O-OG1 3.33Å
109E89.6Confident85.3Confident11 Ų1143.2 Ų43.25%0.05124%0.239CC..Hα-helixtrans-59.7-49.6172.2-74.5-178.5136.500112.4F97 Q99 D100 I105 D106 K107 T112 I113F97-E109 WeakPolarHBondContact O-CB 3.35Å; Q99-E109 HydrophobicContact CB-CG 4.42Å; Q99-E109 PolarHBondContact N-OE1 3.43Å; D100-E109 PolarHBondContact N-OE1 3.4Å; I105-E109 VanDerWaalsContact CA-OE2 3.32Å; I105-E109 WeakPolarHBondContact CA-OE2 3.25Å; I105-E109 HydrophobicContact CG2-CB 4.25Å; D106-E109 PolarHBondContact N-OE2 2.91Å; D106-E109 WeakPolarHBondContact OD1-CG 3.23Å; D106-E109 PolarHBondContact OD1-N 2.78Å; K107-E109 VanDerWaalsContact C-N 3.34Å; E109-T112 PolarHBondContact O-N 2.91Å; E109-I113 WeakPolarHBondContact O-CG1 3.48Å; E109-I113 PolarHBondContact O-N 2.84Å; E109-I113 VanDerWaalsContact O-N 3.11Å
110L87.2Confident84.7Confident0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-63.2-44.9176.8-84.5161.2000112.1F97 I105 D106 K107 T112 I113 F114 V132 I135 Y136 L147F97-L110 HydrophobicContact CD2-CD2 3.72Å; F97-L110 HydrophobicContact CE2-CD2 3.97Å; F97-L110 HydrophobicContact CG-CD2 4.24Å; I105-L110 HydrophobicContact CG2-CD1 3.68Å; I105-L110 HydrophobicContact CG2-CD2 4.22Å; I105-L110 HydrophobicContact CG2-CG 3.48Å; I105-L110 VanDerWaalsContact CG2-CG 3.48Å; D106-L110 PolarHBondContact O-N 3.06Å; K107-L110 PolarHBondContact O-N 3.27Å; L110-T112 VanDerWaalsContact C-N 3.29Å; L110-T112 PolarHBondContact O-N 3.06Å; L110-I113 PolarHBondContact O-N 3.1Å; L110-F114 HydrophobicContact CB-CD2 4.43Å; L110-F114 HydrophobicContact CB-CE2 4.25Å; L110-F114 HydrophobicContact CD2-CE2 3.71Å; L110-F114 HydrophobicContact CD2-CZ 4.24Å; L110-F114 WeakPolarHBondContact O-CD2 3.39Å; L110-F114 PolarHBondContact O-N 2.9Å; L110-V132 HydrophobicContact CB-CG1 4.3Å; L110-V132 HydrophobicContact CB-CG2 3.8Å; L110-I135 HydrophobicContact CD1-CG2 4.32Å; L110-Y136 HydrophobicContact CD1-CD2 4.31Å; L110-Y136 HydrophobicContact CD1-CE2 3.51Å; L110-L147 HydrophobicContact CD1-CD1 3.97Å
111E88Confident83.9Confident43 Ų4339.8 Ų39.820%0.20123%0.225CC..Hα-helixtrans-59.7-43178-80.2-165.9-167.600111.6K107 D108 F114 K115 V132K107-E111 WeakPolarHBondContact O-CB 3.39Å; K107-E111 WeakPolarHBondContact O-CG 3.02Å; K107-E111 PolarHBondContact O-N 3.31Å; D108-E111 PolarHBondContact O-N 3.09Å; E111-F114 PolarHBondContact O-N 2.85Å; E111-K115 WeakPolarHBondContact O-CB 3.36Å; E111-K115 VanDerWaalsContact O-CG 3.26Å; E111-K115 WeakPolarHBondContact O-CG 3.43Å; E111-K115 PolarHBondContact O-N 3.24Å; E111-K115 IonicContact OE2-NZ 2.98Å; E111-K115 PolarHBondContact OE2-NZ 2.96Å; E111-V132 HydrophobicContact CB-CG2 4.3Å; E111-V132 HydrophobicContact CG-CB 4.11Å; E111-V132 HydrophobicContact CG-CG1 4.3Å; E111-V132 HydrophobicContact CG-CG2 3.58Å
112T86Confident83.3Confident55 Ų5543.8 Ų43.834%0.33722%0.222SC..Hα-helixtrans-61.4-46-179.5-62.20000110.9D108 E109 L110 K115 A116D108-T112 VanDerWaalsContact O-CB 3.3Å; D108-T112 WeakPolarHBondContact O-CB 3.2Å; D108-T112 PolarHBondContact O-N 3.18Å; D108-T112 PolarHBondContact O-OG1 3.33Å; E109-T112 PolarHBondContact O-N 2.91Å; L110-T112 VanDerWaalsContact C-N 3.29Å; L110-T112 PolarHBondContact O-N 3.06Å; T112-K115 PolarHBondContact O-N 2.96Å; T112-A116 PolarHBondContact O-N 3.46Å
113I82.6Confident82.5Confident2 Ų242.6 Ų42.61%0.0122%0.22CC..Hα-helixtrans-67.2-43.2178.9-64.3-69.4000111.5Y53 F97 E109 L110 K115 A116 I117Y53-I113 HydrophobicContact CD2-CD1 3.86Å; Y53-I113 HydrophobicContact CD2-CG2 4.1Å; Y53-I113 HydrophobicContact CE2-CD1 4.43Å; Y53-I113 HydrophobicContact CE2-CG2 3.92Å; F97-I113 HydrophobicContact CD1-CB 4.09Å; F97-I113 HydrophobicContact CD1-CG1 3.96Å; F97-I113 HydrophobicContact CD1-CG2 3.65Å; F97-I113 HydrophobicContact CE1-CB 4.29Å; F97-I113 HydrophobicContact CE1-CG2 3.43Å; F97-I113 VanDerWaalsContact CE1-CG2 3.43Å; F97-I113 HydrophobicContact CZ-CG2 4.48Å; E109-I113 WeakPolarHBondContact O-CG1 3.48Å; E109-I113 PolarHBondContact O-N 2.84Å; E109-I113 VanDerWaalsContact O-N 3.11Å; L110-I113 PolarHBondContact O-N 3.1Å; I113-K115 PolarHBondContact O-N 2.79Å; I113-A116 PolarHBondContact O-N 2.92Å; I113-I117 HydrophobicContact CG2-CD1 3.65Å; I113-I117 HydrophobicContact CG2-CG1 4.28Å; I113-I117 VanDerWaalsContact O-CG1 3.3Å; I113-I117 WeakPolarHBondContact O-CG1 3.08Å; I113-I117 PolarHBondContact O-N 3.44Å
114F83.2Confident81.9Confident0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-64.7-38.8177.3-73-55.9000112.5L110 E111 A116 I117 Q118 P128 I131 V132 I135 L166 M169L110-F114 HydrophobicContact CB-CD2 4.43Å; L110-F114 HydrophobicContact CB-CE2 4.25Å; L110-F114 HydrophobicContact CD2-CE2 3.71Å; L110-F114 HydrophobicContact CD2-CZ 4.24Å; L110-F114 WeakPolarHBondContact O-CD2 3.39Å; L110-F114 PolarHBondContact O-N 2.9Å; E111-F114 PolarHBondContact O-N 2.85Å; F114-A116 VanDerWaalsContact C-N 3.35Å; F114-A116 PolarHBondContact O-N 3.37Å; F114-I117 HydrophobicContact CD1-CD1 4.45Å; F114-I117 PolarHBondContact O-N 3.2Å; F114-Q118 VanDerWaalsContact O-CG 3.25Å; F114-Q118 WeakPolarHBondContact O-CG 3.38Å; F114-Q118 PolarHBondContact O-N 3.48Å; F114-P128 HydrophobicContact CB-CB 3.98Å; F114-I131 HydrophobicContact CD1-CG2 4.08Å; F114-I131 HydrophobicContact CD2-CB 4.43Å; F114-I131 HydrophobicContact CD2-CG2 3.86Å; F114-I131 HydrophobicContact CE1-CG2 3.89Å; F114-I131 HydrophobicContact CE2-CG2 3.65Å; F114-I131 HydrophobicContact CG-CG2 4.09Å; F114-I131 HydrophobicContact CZ-CG2 3.68Å; F114-V132 HydrophobicContact CD2-CG2 3.73Å; F114-V132 HydrophobicContact CE2-CG2 4.14Å; F114-I135 HydrophobicContact CE2-CD1 3.5Å; F114-I135 VanDerWaalsContact CE2-CD1 3.5Å; F114-I135 HydrophobicContact CZ-CD1 3.45Å; F114-I135 VanDerWaalsContact CZ-CD1 3.45Å; F114-L166 HydrophobicContact CZ-CD2 4.25Å; F114-M169 HydrophobicContact CD1-CE 3.72Å; F114-M169 HydrophobicContact CD1-SD 3.62Å; F114-M169 HydrophobicContact CE1-CE 3.31Å; F114-M169 HydrophobicContact CE1-SD 3.78Å; F114-M169 HydrophobicContact CZ-CE 4.2Å
115K83.7Confident81.1Confident72 Ų7251.9 Ų51.931%0.31325%0.25SS..Hα-helixtrans-56.8-49172.4-77.5164.9178156.40111E111 T112 I113 I117 Q118 D119 P128 E129E111-K115 WeakPolarHBondContact O-CB 3.36Å; E111-K115 VanDerWaalsContact O-CG 3.26Å; E111-K115 WeakPolarHBondContact O-CG 3.43Å; E111-K115 PolarHBondContact O-N 3.24Å; E111-K115 IonicContact OE2-NZ 2.98Å; E111-K115 PolarHBondContact OE2-NZ 2.96Å; T112-K115 PolarHBondContact O-N 2.96Å; I113-K115 PolarHBondContact O-N 2.79Å; K115-I117 PolarHBondContact O-N 3.01Å; K115-Q118 PolarHBondContact O-N 3.3Å; K115-D119 PolarHBondContact O-N 3.21Å; K115-D119 VanDerWaalsContact O-N 3.08Å; K115-P128 HydrophobicContact CB-CG 4.49Å; K115-P128 HydrophobicContact CG-CB 3.89Å; K115-P128 HydrophobicContact CG-CG 3.57Å; K115-E129 WeakPolarHBondContact CE-OE1 3.36Å; K115-E129 IonicContact NZ-OE1 3.15Å; K115-E129 PolarHBondContact NZ-OE1 3.25Å; K115-E129 VanDerWaalsContact NZ-OE1 3.15Å
116A79.4Confident80.5Confident2 Ų255.6 Ų55.62%0.01727%0.269CS..Hα-helixtrans-63.1-42.2179.500000113.3E49 Y53 T112 I113 F114 Q118 D119 I120E49-A116 HydrophobicContact CB-CB 4.32Å; E49-A116 VanDerWaalsContact O-CB 3.31Å; E49-A116 WeakPolarHBondContact O-CB 3.49Å; Y53-A116 VanDerWaalsContact CB-CB 3.49Å; Y53-A116 HydrophobicContact CD2-CB 4.35Å; Y53-A116 HydrophobicContact CG-CB 4.08Å; T112-A116 PolarHBondContact O-N 3.46Å; I113-A116 PolarHBondContact O-N 2.92Å; F114-A116 VanDerWaalsContact C-N 3.35Å; F114-A116 PolarHBondContact O-N 3.37Å; A116-Q118 PolarHBondContact O-N 2.9Å; A116-D119 PolarHBondContact O-N 3.27Å; A116-I120 VanDerWaalsContact O-CG1 3.31Å; A116-I120 WeakPolarHBondContact O-CG1 3.44Å; A116-I120 PolarHBondContact O-N 2.92Å
117I75.2Confident80.2Confident6 Ų656.6 Ų56.63%0.03128%0.278CS..Hα-helixtrans-62.8-43.3177.6-69165.4000111.1Y53 I113 F114 K115 D119 I120 T121 M169 M170Y53-I117 HydrophobicContact CD2-CG1 4.39Å; Y53-I117 HydrophobicContact CE2-CD1 4.2Å; Y53-I117 HydrophobicContact CE2-CG1 3.85Å; I113-I117 HydrophobicContact CG2-CD1 3.65Å; I113-I117 HydrophobicContact CG2-CG1 4.28Å; I113-I117 VanDerWaalsContact O-CG1 3.3Å; I113-I117 WeakPolarHBondContact O-CG1 3.08Å; I113-I117 PolarHBondContact O-N 3.44Å; F114-I117 HydrophobicContact CD1-CD1 4.45Å; F114-I117 PolarHBondContact O-N 3.2Å; K115-I117 PolarHBondContact O-N 3.01Å; I117-D119 VanDerWaalsContact C-N 3.29Å; I117-D119 PolarHBondContact O-N 3.46Å; I117-I120 PolarHBondContact O-N 2.92Å; I117-T121 HydrophobicContact CG2-CG2 4.2Å; I117-T121 WeakPolarHBondContact O-CB 3.24Å; I117-T121 WeakPolarHBondContact O-CG2 3.49Å; I117-T121 PolarHBondContact O-N 2.81Å; I117-T121 PolarHBondContact O-OG1 2.91Å; I117-M169 HydrophobicContact CD1-CB 4.5Å; I117-M169 HydrophobicContact CG2-CB 4.15Å; I117-M169 WeakPolarHBondContact CG2-O 3.06Å; I117-M170 HydrophobicContact CD1-SD 3.43Å; I117-M170 WeakPolarHBondContact CD1-SD 3.46Å
118Q77.8Confident80Confident16 Ų1652.2 Ų52.28%0.07526%0.26CS..Hα-helixtrans-63.6-37.4178.3-69.8-174.6-0.300112F114 K115 A116 R122 S123 Y124 I126F114-Q118 VanDerWaalsContact O-CG 3.25Å; F114-Q118 WeakPolarHBondContact O-CG 3.38Å; F114-Q118 PolarHBondContact O-N 3.48Å; K115-Q118 PolarHBondContact O-N 3.3Å; A116-Q118 PolarHBondContact O-N 2.9Å; Q118-R122 CarbonylContact O-C 3.48Å; Q118-R122 WeakPolarHBondContact O-CA 3.46Å; Q118-R122 PolarHBondContact O-N 2.7Å; Q118-S123 WeakPolarHBondContact CB-O 3.37Å; Q118-S123 WeakPolarHBondContact CG-O 3.34Å; Q118-S123 PolarHBondContact O-N 3.25Å; Q118-S123 VanDerWaalsContact O-N 3.11Å; Q118-Y124 HydrophobicContact CB-CD1 4.04Å; Q118-Y124 HydrophobicContact CB-CE1 4.09Å; Q118-I126 PolarHBondContact NE2-O 3.2Å
119D75.8Confident80Confident26 Ų2650.5 Ų50.514%0.13925%0.249CC..Hα-helixtrans-66.7-42.7175.2-82.8-13.3000113T47 A50 K115 A116 I117 R122 Y124T47-D119 WeakPolarHBondContact CG2-OD2 3.35Å; T47-D119 PolarHBondContact OG1-OD2 3.45Å; A50-D119 HydrophobicContact CB-CB 4.27Å; K115-D119 PolarHBondContact O-N 3.21Å; K115-D119 VanDerWaalsContact O-N 3.08Å; A116-D119 PolarHBondContact O-N 3.27Å; I117-D119 VanDerWaalsContact C-N 3.29Å; I117-D119 PolarHBondContact O-N 3.46Å; D119-R122 VanDerWaalsContact O-CD 3.24Å; D119-R122 WeakPolarHBondContact O-CD 3.21Å; D119-R122 PolarHBondContact O-NE 3.4Å; D119-Y124 WeakPolarHBondContact OD1-CE1 3.32Å; D119-Y124 PolarHBondContact OD1-OH 3.42Å
120I69.6Low79.8Confident52 Ų5253.2 Ų53.227%0.26727%0.266SS..Hα-helixtrans-67.8-45.3178.5-68165.8000110.8A50 Y53 V54 A116 I117 R122A50-I120 HydrophobicContact CB-CD1 4.32Å; A50-I120 HydrophobicContact CB-CG1 3.82Å; Y53-I120 HydrophobicContact CD1-CD1 3.27Å; Y53-I120 HydrophobicContact CE1-CD1 3.88Å; Y53-I120 HydrophobicContact CG-CD1 4.03Å; V54-I120 HydrophobicContact CG2-CD1 4.49Å; A116-I120 VanDerWaalsContact O-CG1 3.31Å; A116-I120 WeakPolarHBondContact O-CG1 3.44Å; A116-I120 PolarHBondContact O-N 2.92Å; I117-I120 PolarHBondContact O-N 2.92Å; I120-R122 VanDerWaalsContact C-N 3.31Å
121T69.5Low79.6Confident53 Ų5353.4 Ų53.433%0.32527%0.267SS..Hα-helixtrans-83.3-9.5-177600000113.2I117 S123I117-T121 HydrophobicContact CG2-CG2 4.2Å; I117-T121 WeakPolarHBondContact O-CB 3.24Å; I117-T121 WeakPolarHBondContact O-CG2 3.49Å; I117-T121 PolarHBondContact O-N 2.81Å; I117-T121 PolarHBondContact O-OG1 2.91Å; T121-S123 PolarHBondContact O-N 2.94Å; T121-S123 WeakPolarHBondContact OG1-CB 3.3Å
122R72.8Confident79.6Confident141 Ų14151.5 Ų51.553%0.53226%0.258SS..THydrogen-bonded Turntrans53.133-171.8-56.2-63.7-177.1178.90.3112.7M46 Q118 D119 I120M46-R122 PolarHBondContact SD-NH2 3.45Å; Q118-R122 CarbonylContact O-C 3.48Å; Q118-R122 WeakPolarHBondContact O-CA 3.46Å; Q118-R122 PolarHBondContact O-N 2.7Å; D119-R122 VanDerWaalsContact O-CD 3.24Å; D119-R122 WeakPolarHBondContact O-CD 3.21Å; D119-R122 PolarHBondContact O-NE 3.4Å; I120-R122 VanDerWaalsContact C-N 3.31Å
123S72.4Confident79.7Confident50 Ų5052.4 Ų52.435%0.3526%0.264SS..  trans-110100.7-177.1-174.50000110.5Q118 T121Q118-S123 WeakPolarHBondContact CB-O 3.37Å; Q118-S123 WeakPolarHBondContact CG-O 3.34Å; Q118-S123 PolarHBondContact O-N 3.25Å; Q118-S123 VanDerWaalsContact O-N 3.11Å; T121-S123 PolarHBondContact O-N 2.94Å; T121-S123 WeakPolarHBondContact OG1-CB 3.3Å
124Y77Confident79.8Confident122 Ų12256 Ų5648%0.47828%0.283SS..  trans-110.229.6-176.1-56.4-78.9000112.7Q118 D119 I126Q118-Y124 HydrophobicContact CB-CD1 4.04Å; Q118-Y124 HydrophobicContact CB-CE1 4.09Å; D119-Y124 WeakPolarHBondContact OD1-CE1 3.32Å; D119-Y124 PolarHBondContact OD1-OH 3.42Å; Y124-I126 VanDerWaalsContact C-N 3.32Å; Y124-I126 PolarHBondContact O-N 3.47Å
125E75.2Confident79.9Confident174 Ų17456.1 Ų56.181%0.81328%0.283SS*.SBendtrans-66.6-32.1-173.8-64.9-171.2149.700113.3
126I77.8Confident80Confident78 Ų7853.3 Ų53.340%0.427%0.271SS..SBendtrans-132.2127.9-176.9-54.5175.3000108.3Q118 Y124 T130 I131Q118-I126 PolarHBondContact NE2-O 3.2Å; Y124-I126 VanDerWaalsContact C-N 3.32Å; Y124-I126 PolarHBondContact O-N 3.47Å; I126-T130 HydrophobicContact CG2-CG2 4.14Å; I126-I131 HydrophobicContact CB-CD1 4.23Å; I126-I131 HydrophobicContact CB-CG1 4.16Å; I126-I131 HydrophobicContact CG2-CD1 4.23Å; I126-I131 HydrophobicContact CG2-CG1 3.62Å
127P85.1Confident80.2Confident68 Ų6860.3 Ų60.344%0.44230%0.303SS..  trans-59.8138176.2-22.933.5000111.9E129 T130 I131P127-E129 WeakPolarHBondContact CB-OE2 3.35Å; P127-E129 PolarHBondContact O-N 3.38Å; P127-T130 WeakPolarHBondContact O-CB 3.29Å; P127-T130 PolarHBondContact O-N 3.48Å; P127-I131 PolarHBondContact O-N 3.46Å
128P84.4Confident80.6Confident12 Ų1263.5 Ų63.58%0.07832%0.317CS..Hα-helixtrans-50.8-41.3178.8-29.537.1000113.1F114 K115 T130 I131 V132F114-P128 HydrophobicContact CB-CB 3.98Å; K115-P128 HydrophobicContact CB-CG 4.49Å; K115-P128 HydrophobicContact CG-CB 3.89Å; K115-P128 HydrophobicContact CG-CG 3.57Å; P128-T130 PolarHBondContact O-N 3.06Å; P128-I131 WeakPolarHBondContact O-CB 3.27Å; P128-I131 PolarHBondContact O-N 3.44Å; P128-V132 WeakPolarHBondContact O-CG2 3.43Å; P128-V132 PolarHBondContact O-N 3.06Å
129E87Confident80.9Confident78 Ų7862.8 Ų62.836%0.36431%0.314SS..Hα-helixtrans-61.9-33.4-179.2-56.874.2-161.800111.6K115 P127 T133K115-E129 WeakPolarHBondContact CE-OE1 3.36Å; K115-E129 IonicContact NZ-OE1 3.15Å; K115-E129 PolarHBondContact NZ-OE1 3.25Å; K115-E129 VanDerWaalsContact NZ-OE1 3.15Å; P127-E129 WeakPolarHBondContact CB-OE2 3.35Å; P127-E129 PolarHBondContact O-N 3.38Å; E129-T133 WeakPolarHBondContact O-CB 3.47Å; E129-T133 PolarHBondContact O-N 2.68Å; E129-T133 PolarHBondContact O-OG1 3.03Å
130T86.1Confident81.2Confident68 Ų6862.9 Ų62.942%0.41731%0.314SS..Hα-helixtrans-71.8-40.3177-55.80000110.7I126 P127 P128 T133 L134I126-T130 HydrophobicContact CG2-CG2 4.14Å; P127-T130 WeakPolarHBondContact O-CB 3.29Å; P127-T130 PolarHBondContact O-N 3.48Å; P128-T130 PolarHBondContact O-N 3.06Å; T130-T133 PolarHBondContact O-N 2.9Å; T130-L134 HydrophobicContact CG2-CD1 4.3Å; T130-L134 VanDerWaalsContact O-CG 3.25Å; T130-L134 WeakPolarHBondContact O-CG 3.39Å; T130-L134 PolarHBondContact O-N 2.68Å
131I83.4Confident81.3Confident4 Ų466.2 Ų66.22%0.02134%0.337CS..Hα-helixtrans-62.6-48.1175.9-61.4176000110.1F114 I126 P127 P128 T133 L134 I135 M165 M169F114-I131 HydrophobicContact CD1-CG2 4.08Å; F114-I131 HydrophobicContact CD2-CB 4.43Å; F114-I131 HydrophobicContact CD2-CG2 3.86Å; F114-I131 HydrophobicContact CE1-CG2 3.89Å; F114-I131 HydrophobicContact CE2-CG2 3.65Å; F114-I131 HydrophobicContact CG-CG2 4.09Å; F114-I131 HydrophobicContact CZ-CG2 3.68Å; I126-I131 HydrophobicContact CB-CD1 4.23Å; I126-I131 HydrophobicContact CB-CG1 4.16Å; I126-I131 HydrophobicContact CG2-CD1 4.23Å; I126-I131 HydrophobicContact CG2-CG1 3.62Å; P127-I131 PolarHBondContact O-N 3.46Å; P128-I131 WeakPolarHBondContact O-CB 3.27Å; P128-I131 PolarHBondContact O-N 3.44Å; I131-T133 PolarHBondContact O-N 3.15Å; I131-L134 PolarHBondContact O-N 2.84Å; I131-I135 HydrophobicContact CG2-CD1 3.99Å; I131-I135 WeakPolarHBondContact O-CG1 3.44Å; I131-I135 PolarHBondContact O-N 2.96Å; I131-M165 HydrophobicContact CG2-CE 3.55Å; I131-M165 HydrophobicContact CG2-SD 3.87Å; I131-M169 HydrophobicContact CD1-CE 3.93Å; I131-M169 HydrophobicContact CD1-SD 4.02Å; I131-M169 HydrophobicContact CG2-CE 3.86Å
132V87.5Confident81.6Confident3 Ų369.6 Ų69.62%0.01835%0.347CS..Hα-helixtrans-61.6-45179.1176.10000110.9K107 L110 E111 F114 P128 L134 I135 Y136K107-V132 HydrophobicContact CB-CG1 4.33Å; K107-V132 HydrophobicContact CG-CG1 4.23Å; L110-V132 HydrophobicContact CB-CG1 4.3Å; L110-V132 HydrophobicContact CB-CG2 3.8Å; E111-V132 HydrophobicContact CB-CG2 4.3Å; E111-V132 HydrophobicContact CG-CB 4.11Å; E111-V132 HydrophobicContact CG-CG1 4.3Å; E111-V132 HydrophobicContact CG-CG2 3.58Å; F114-V132 HydrophobicContact CD2-CG2 3.73Å; F114-V132 HydrophobicContact CE2-CG2 4.14Å; P128-V132 WeakPolarHBondContact O-CG2 3.43Å; P128-V132 PolarHBondContact O-N 3.06Å; V132-L134 VanDerWaalsContact C-N 3.33Å; V132-L134 PolarHBondContact O-N 2.5Å; V132-I135 PolarHBondContact O-N 2.94Å; V132-Y136 HydrophobicContact CG1-CD2 3.77Å; V132-Y136 HydrophobicContact CG1-CE2 3.91Å; V132-Y136 WeakPolarHBondContact O-CD2 3.38Å; V132-Y136 PolarHBondContact O-N 3.41Å
133T87.4Confident81.9Confident73 Ų7365.7 Ų65.745%0.44835%0.35SS..Hα-helixtrans-57.7-46.1176.5-58.50000111.6E129 T130 I131 I135 Y136 E137E129-T133 WeakPolarHBondContact O-CB 3.47Å; E129-T133 PolarHBondContact O-N 2.68Å; E129-T133 PolarHBondContact O-OG1 3.03Å; T130-T133 PolarHBondContact O-N 2.9Å; I131-T133 PolarHBondContact O-N 3.15Å; T133-I135 VanDerWaalsContact C-N 3.35Å; T133-I135 PolarHBondContact O-N 3.1Å; T133-Y136 PolarHBondContact O-N 3.17Å; T133-E137 HydrophobicContact CG2-CG 4.34Å; T133-E137 WeakPolarHBondContact O-CB 3.02Å; T133-E137 WeakPolarHBondContact O-CG 3.18Å; T133-E137 PolarHBondContact O-N 2.97Å
134L85.2Confident82.2Confident79 Ų7968.9 Ų68.941%0.41436%0.36SS..Hα-helixtrans-62.5-38.9178.4-72.8168.4000113.1T130 I131 V132 K138T130-L134 HydrophobicContact CG2-CD1 4.3Å; T130-L134 VanDerWaalsContact O-CG 3.25Å; T130-L134 WeakPolarHBondContact O-CG 3.39Å; T130-L134 PolarHBondContact O-N 2.68Å; I131-L134 PolarHBondContact O-N 2.84Å; V132-L134 VanDerWaalsContact C-N 3.33Å; V132-L134 PolarHBondContact O-N 2.5Å; L134-K138 WeakPolarHBondContact O-CG 3.35Å; L134-K138 PolarHBondContact O-N 3.47Å
135I85.4Confident82.4Confident1 Ų164.5 Ų64.51%0.00535%0.352CS..Hα-helixtrans-64.3-50.5176.4-73.4170.7000109.9L110 F114 I131 V132 T133 K138 I139 L147 I162 M165L110-I135 HydrophobicContact CD1-CG2 4.32Å; F114-I135 HydrophobicContact CE2-CD1 3.5Å; F114-I135 VanDerWaalsContact CE2-CD1 3.5Å; F114-I135 HydrophobicContact CZ-CD1 3.45Å; F114-I135 VanDerWaalsContact CZ-CD1 3.45Å; I131-I135 HydrophobicContact CG2-CD1 3.99Å; I131-I135 WeakPolarHBondContact O-CG1 3.44Å; I131-I135 PolarHBondContact O-N 2.96Å; V132-I135 PolarHBondContact O-N 2.94Å; T133-I135 VanDerWaalsContact C-N 3.35Å; T133-I135 PolarHBondContact O-N 3.1Å; I135-K138 PolarHBondContact O-N 3.42Å; I135-I139 HydrophobicContact CG2-CD1 3.92Å; I135-I139 HydrophobicContact CG2-CG1 4.49Å; I135-I139 VanDerWaalsContact O-CB 3.24Å; I135-I139 WeakPolarHBondContact O-CB 3.2Å; I135-I139 WeakPolarHBondContact O-CG1 3.26Å; I135-I139 PolarHBondContact O-N 2.97Å; I135-L147 HydrophobicContact CG2-CD1 3.94Å; I135-I162 HydrophobicContact CG1-CG2 4.42Å; I135-M165 HydrophobicContact CD1-CE 3.66Å; I135-M165 HydrophobicContact CG1-CE 3.78Å
136Y85.4Confident83Confident13 Ų1359.6 Ų59.65%0.05133%0.329CS..Hα-helixtrans-63.9-43.7-178.2-90.9-97.5000112.6I105 D106 K107 L110 V132 T133 K138 I139 D140 L147I105-Y136 PolarHBondContact O-OH 3.14Å; D106-Y136 VanDerWaalsContact CA-OH 3.28Å; D106-Y136 WeakPolarHBondContact CA-OH 3.41Å; D106-Y136 PolarHBondContact O-OH 3.34Å; K107-Y136 HydrophobicContact CB-CE2 4.35Å; K107-Y136 HydrophobicContact CG-CD1 4.29Å; K107-Y136 HydrophobicContact CG-CD2 3.98Å; K107-Y136 HydrophobicContact CG-CE1 3.83Å; K107-Y136 HydrophobicContact CG-CE2 3.46Å; K107-Y136 VanDerWaalsContact CG-CE2 3.46Å; K107-Y136 HydrophobicContact CG-CG 4.37Å; K107-Y136 PolarHBondContact N-OH 3.39Å; K107-Y136 VanDerWaalsContact N-OH 3.11Å; L110-Y136 HydrophobicContact CD1-CD2 4.31Å; L110-Y136 HydrophobicContact CD1-CE2 3.51Å; V132-Y136 HydrophobicContact CG1-CD2 3.77Å; V132-Y136 HydrophobicContact CG1-CE2 3.91Å; V132-Y136 WeakPolarHBondContact O-CD2 3.38Å; V132-Y136 PolarHBondContact O-N 3.41Å; T133-Y136 PolarHBondContact O-N 3.17Å; Y136-K138 PolarHBondContact O-N 2.92Å; Y136-K138 VanDerWaalsContact O-N 3.12Å; Y136-I139 PolarHBondContact O-N 2.66Å; Y136-D140 HydrophobicContact CD1-CB 3.85Å; Y136-D140 VanDerWaalsContact O-CB 3.3Å; Y136-D140 WeakPolarHBondContact O-CB 3.3Å; Y136-D140 PolarHBondContact O-N 3.23Å; Y136-L147 HydrophobicContact CE1-CD2 4.41Å; Y136-L147 HydrophobicContact CE1-CG 4.18Å; Y136-L147 HydrophobicContact CE2-CD1 4.25Å
137E84.4Confident83.5Confident150 Ų15055.9 Ų55.970%0.70131%0.31SS*.Hα-helixtrans-59.3-27178.6-77.3-176.7163.900113.4T133T133-E137 HydrophobicContact CG2-CG 4.34Å; T133-E137 WeakPolarHBondContact O-CB 3.02Å; T133-E137 WeakPolarHBondContact O-CG 3.18Å; T133-E137 PolarHBondContact O-N 2.97Å
138K83.1Confident83.8Confident72 Ų7254.1 Ų54.131%0.31330%0.298SS..Hα-helixtrans-100.9-33.8-176.4-72.4-175.2169.3-162.40113.5L134 I135 Y136 H159 D161 I162L134-K138 WeakPolarHBondContact O-CG 3.35Å; L134-K138 PolarHBondContact O-N 3.47Å; I135-K138 PolarHBondContact O-N 3.42Å; Y136-K138 PolarHBondContact O-N 2.92Å; Y136-K138 VanDerWaalsContact O-N 3.12Å; K138-H159 PolarHBondContact O-NE2 2.6Å; K138-D161 IonicContact NZ-OD1 3.48Å; K138-D161 PolarHBondContact NZ-OD1 3.43Å; K138-D161 IonicContact NZ-OD2 2.61Å; K138-D161 PolarHBondContact NZ-OD2 2.64Å; K138-I162 HydrophobicContact CB-CD1 3.69Å; K138-I162 HydrophobicContact CD-CD1 3.75Å; K138-I162 HydrophobicContact CD-CG1 4.28Å; K138-I162 HydrophobicContact CG-CD1 4.35Å
139I83.8Confident84.1Confident2 Ų256.5 Ų56.51%0.0131%0.31CS..Hα-helixtrans-103.8-34.6-170.1-59.2-177000112.2I135 Y136 V141 L147 E151 I162I135-I139 HydrophobicContact CG2-CD1 3.92Å; I135-I139 HydrophobicContact CG2-CG1 4.49Å; I135-I139 VanDerWaalsContact O-CB 3.24Å; I135-I139 WeakPolarHBondContact O-CB 3.2Å; I135-I139 WeakPolarHBondContact O-CG1 3.26Å; I135-I139 PolarHBondContact O-N 2.97Å; Y136-I139 PolarHBondContact O-N 2.66Å; I139-V141 PolarHBondContact O-N 3.09Å; I139-L147 HydrophobicContact CB-CD2 4.34Å; I139-L147 HydrophobicContact CG2-CD1 4.29Å; I139-L147 HydrophobicContact CG2-CD2 3.92Å; I139-E151 HydrophobicContact CG2-CB 4.4Å; I139-E151 WeakPolarHBondContact CG2-O 3.17Å; I139-I162 HydrophobicContact CD1-CD1 3.67Å; I139-I162 HydrophobicContact CD1-CG2 3.8Å; I139-I162 HydrophobicContact CG1-CD1 3.77Å
140D82.1Confident84.2Confident27 Ų2760.2 Ų60.214%0.14433%0.327CS..  trans-7868.4178.6-173.810000110.9Y136 K142 G143 E144 G145 L147Y136-D140 HydrophobicContact CD1-CB 3.85Å; Y136-D140 VanDerWaalsContact O-CB 3.3Å; Y136-D140 WeakPolarHBondContact O-CB 3.3Å; Y136-D140 PolarHBondContact O-N 3.23Å; D140-K142 PolarHBondContact O-N 2.93Å; D140-G143 PolarHBondContact O-N 2.79Å; D140-G143 VanDerWaalsContact OD1-CA 3.32Å; D140-G143 WeakPolarHBondContact OD1-CA 3.19Å; D140-G143 PolarHBondContact OD1-N 2.93Å; D140-G143 WeakPolarHBondContact OD2-CA 3.33Å; D140-E144 PolarHBondContact OD1-N 3.44Å; D140-E144 PolarHBondContact OD2-N 3.04Å; D140-G145 PolarHBondContact OD2-N 2.59Å; D140-L147 HydrophobicContact CB-CD2 3.68Å
141V73.2Confident84.3Confident123 Ų12357.6 Ų57.675%0.74531%0.31SS*.SBendtrans-64.5-29.6-177179.20000111.7I139I139-V141 PolarHBondContact O-N 3.09Å
142K75.5Confident84.6Confident124 Ų12457.4 Ų57.454%0.53931%0.309SS..SBendtrans-85.2-18.9-179.8-62.2-169.2-164118.40113D140 E144 E151D140-K142 PolarHBondContact O-N 2.93Å; K142-E144 VanDerWaalsContact C-N 3.29Å; K142-E144 HydrophobicContact CB-CG 3.95Å; K142-E151 VanDerWaalsContact CD-OE1 3.3Å; K142-E151 WeakPolarHBondContact CD-OE1 3.33Å; K142-E151 VanDerWaalsContact CE-OE1 3.31Å; K142-E151 WeakPolarHBondContact CE-OE1 3.27Å; K142-E151 WeakPolarHBondContact CG-OE1 3.45Å; K142-E151 IonicContact NZ-OE1 2.72Å; K142-E151 PolarHBondContact NZ-OE1 3.3Å
143G77.9Confident84.6Confident59 Ų5958.2 Ų58.261%0.60831%0.313SS*.  trans68.729-18000000112.6D140D140-G143 PolarHBondContact O-N 2.79Å; D140-G143 VanDerWaalsContact OD1-CA 3.32Å; D140-G143 WeakPolarHBondContact OD1-CA 3.19Å; D140-G143 PolarHBondContact OD1-N 2.93Å; D140-G143 WeakPolarHBondContact OD2-CA 3.33Å
144E78.5Confident84.6Confident116 Ų11657.1 Ų57.154%0.54231%0.308SS..  trans-79.4-13.3-179.1-68.2-175.5-168.100111.5D140 K142D140-E144 PolarHBondContact OD1-N 3.44Å; D140-E144 PolarHBondContact OD2-N 3.04Å; K142-E144 VanDerWaalsContact C-N 3.29Å; K142-E144 HydrophobicContact CB-CG 3.95Å
145G81.3Confident84.7Confident31 Ų3153.5 Ų53.532%0.3229%0.29SS..SBendtrans79.95.6-179.400000114D140D140-G145 PolarHBondContact OD2-N 2.59Å
146E88.2Confident84.8Confident70 Ų7053.4 Ų53.433%0.32729%0.29SS..SBendtrans-137.7140.2176-60.4175.4149.800108.5K104K104-E146 HydrophobicContact CB-CB 4.15Å; K104-E146 HydrophobicContact CD-CB 3.88Å; K104-E146 HydrophobicContact CD-CG 4.43Å; K104-E146 WeakPolarHBondContact CD-OE2 3.47Å; K104-E146 WeakPolarHBondContact CE-OE2 3.37Å; K104-E146 IonicContact NZ-OE2 2.69Å; K104-E146 PolarHBondContact NZ-OE2 3.48Å
147L89.6Confident84.8Confident0 Ų059.3 Ų59.30%031%0.312CS..EExtended strand (participates in β ladder)trans-100.6118.8-179.3-61.1179.6000111.2K104 I105 L110 I135 Y136 I139 D140K104-L147 CarbonylContact C-O 3.55Å; K104-L147 VanDerWaalsContact CA-O 3.3Å; K104-L147 WeakPolarHBondContact CA-O 3.43Å; I105-L147 HydrophobicContact CB-CB 4.33Å; I105-L147 PolarHBondContact N-O 2.81Å; I105-L147 PolarHBondContact O-N 2.91Å; L110-L147 HydrophobicContact CD1-CD1 3.97Å; I135-L147 HydrophobicContact CG2-CD1 3.94Å; Y136-L147 HydrophobicContact CE1-CD2 4.41Å; Y136-L147 HydrophobicContact CE1-CG 4.18Å; Y136-L147 HydrophobicContact CE2-CD1 4.25Å; I139-L147 HydrophobicContact CB-CD2 4.34Å; I139-L147 HydrophobicContact CG2-CD1 4.29Å; I139-L147 HydrophobicContact CG2-CD2 3.92Å; D140-L147 HydrophobicContact CB-CD2 3.68Å
148T91.4Very high84.9Confident32 Ų3258.7 Ų58.720%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-74.9161.3170.263.30000111.7K104 E150 E151 F152K104-T148 HydrophobicContact CG-CG2 4.48Å; T148-E150 PolarHBondContact O-N 3.37Å; T148-E151 WeakPolarHBondContact CB-OE2 3.36Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.16Å; T148-E151 PolarHBondContact N-OE2 3.19Å; T148-E151 PolarHBondContact O-N 2.99Å; T148-E151 VanDerWaalsContact O-N 3.17Å; T148-E151 VanDerWaalsContact OG1-CD 3.23Å; T148-E151 WeakPolarHBondContact OG1-CG 3.49Å; T148-E151 PolarHBondContact OG1-N 3.23Å; T148-E151 PolarHBondContact OG1-OE2 3.19Å; T148-F152 WeakPolarHBondContact O-CB 3.25Å; T148-F152 PolarHBondContact O-N 2.8Å
149L89.4Confident85.1Confident61 Ų6157.5 Ų57.532%0.31930%0.304SS..Hα-helixtrans-54.7-39175.517866000112.7K91 F94 I153K91-L149 HydrophobicContact CG-CD1 4.26Å; F94-L149 HydrophobicContact CB-CD1 3.54Å; F94-L149 HydrophobicContact CD1-CB 4.27Å; F94-L149 HydrophobicContact CD1-CD1 3.78Å; F94-L149 HydrophobicContact CD2-CB 4.1Å; F94-L149 HydrophobicContact CD2-CD1 3.74Å; F94-L149 HydrophobicContact CE1-CB 4.12Å; F94-L149 HydrophobicContact CE1-CD1 4.48Å; F94-L149 HydrophobicContact CE2-CB 3.95Å; F94-L149 HydrophobicContact CE2-CD1 4.44Å; F94-L149 HydrophobicContact CG-CB 4.27Å; F94-L149 HydrophobicContact CG-CD1 3.37Å; F94-L149 HydrophobicContact CG-CG 4.41Å; F94-L149 HydrophobicContact CZ-CB 3.96Å; L149-I153 HydrophobicContact CD1-CD1 3.72Å; L149-I153 HydrophobicContact CD1-CG1 4.13Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 WeakPolarHBondContact O-CB 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3Å; L149-I153 PolarHBondContact O-N 3.49Å
150E89Confident85.2Confident157 Ų15761.4 Ų61.473%0.73433%0.33SS*.Hα-helixtrans-65.6-47.2179.1-67.6-173.9171.700111.1T148 I153 S154T148-E150 PolarHBondContact O-N 3.37Å; E150-I153 PolarHBondContact O-N 3.49Å; E150-S154 WeakPolarHBondContact O-CB 3.37Å; E150-S154 PolarHBondContact O-N 3.43Å; E150-S154 PolarHBondContact O-OG 3.46Å
151E89Confident85.2Confident12 Ų1264.1 Ų64.16%0.05634%0.344CS..Hα-helixtrans-61.9-45.3176.7-76.4155.4165.700111.3I139 K142 T148 I153 S154 G155I139-E151 HydrophobicContact CG2-CB 4.4Å; I139-E151 WeakPolarHBondContact CG2-O 3.17Å; K142-E151 VanDerWaalsContact CD-OE1 3.3Å; K142-E151 WeakPolarHBondContact CD-OE1 3.33Å; K142-E151 VanDerWaalsContact CE-OE1 3.31Å; K142-E151 WeakPolarHBondContact CE-OE1 3.27Å; K142-E151 WeakPolarHBondContact CG-OE1 3.45Å; K142-E151 IonicContact NZ-OE1 2.72Å; K142-E151 PolarHBondContact NZ-OE1 3.3Å; T148-E151 WeakPolarHBondContact CB-OE2 3.36Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.16Å; T148-E151 PolarHBondContact N-OE2 3.19Å; T148-E151 PolarHBondContact O-N 2.99Å; T148-E151 VanDerWaalsContact O-N 3.17Å; T148-E151 VanDerWaalsContact OG1-CD 3.23Å; T148-E151 WeakPolarHBondContact OG1-CG 3.49Å; T148-E151 PolarHBondContact OG1-N 3.23Å; T148-E151 PolarHBondContact OG1-OE2 3.19Å; E151-I153 PolarHBondContact O-N 3.34Å; E151-S154 PolarHBondContact O-N 3.36Å; E151-S154 PolarHBondContact O-OG 3.36Å; E151-G155 WeakPolarHBondContact O-CA 3.35Å; E151-G155 PolarHBondContact O-N 2.95Å
152F88.8Confident85.7Confident0 Ų058.4 Ų58.40%031%0.31CS..Hα-helixtrans-58.8-47.4177.6-176.3-103.4000111.9L90 F94 F97 I105 T148 A156 L166L90-F152 HydrophobicContact CB-CE1 4.44Å; L90-F152 HydrophobicContact CD2-CE1 3.9Å; L90-F152 HydrophobicContact CD2-CZ 4.45Å; F94-F152 HydrophobicContact CB-CD1 4.14Å; F94-F152 HydrophobicContact CB-CE1 4.4Å; F94-F152 HydrophobicContact CD2-CB 3.89Å; F94-F152 HydrophobicContact CD2-CD1 4.07Å; F94-F152 HydrophobicContact CD2-CG 4.05Å; F94-F152 HydrophobicContact CE2-CB 4.32Å; F97-F152 AromaticContact CD2-CE2 3.99Å; F97-F152 HydrophobicContact CD2-CE2 3.99Å; F97-F152 AromaticContact CD2-CZ 3.95Å; F97-F152 HydrophobicContact CD2-CZ 3.95Å; F97-F152 AromaticContact CE2-CE2 3.85Å; F97-F152 HydrophobicContact CE2-CE2 3.85Å; F97-F152 AromaticContact CE2-CZ 3.64Å; F97-F152 HydrophobicContact CE2-CZ 3.64Å; I105-F152 HydrophobicContact CD1-CD2 4.21Å; I105-F152 HydrophobicContact CD1-CG 4.4Å; T148-F152 WeakPolarHBondContact O-CB 3.25Å; T148-F152 PolarHBondContact O-N 2.8Å; F152-A156 WeakPolarHBondContact O-CB 3.49Å; F152-A156 PolarHBondContact O-N 3.47Å; F152-L166 HydrophobicContact CE2-CD1 3.96Å; F152-L166 HydrophobicContact CZ-CD1 3.7Å; F152-L166 HydrophobicContact CZ-CD2 4.36Å
153I87.8Confident86.1Confident21 Ų2153.7 Ų53.711%0.10829%0.29CS..Hα-helixtrans-69.1-45.5179.5-68.5173.1000111.4L90 K91 L149 E150 E151 R157L90-I153 HydrophobicContact CB-CG1 4.09Å; L90-I153 HydrophobicContact CD1-CG2 4.34Å; K91-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 HydrophobicContact CD1-CD1 3.72Å; L149-I153 HydrophobicContact CD1-CG1 4.13Å; L149-I153 HydrophobicContact CG-CD1 3.89Å; L149-I153 WeakPolarHBondContact O-CB 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.29Å; L149-I153 WeakPolarHBondContact O-CG1 3Å; L149-I153 PolarHBondContact O-N 3.49Å; E150-I153 PolarHBondContact O-N 3.49Å; E151-I153 PolarHBondContact O-N 3.34Å; I153-R157 WeakPolarHBondContact O-CB 3.43Å; I153-R157 WeakPolarHBondContact O-CD 2.78Å; I153-R157 VanDerWaalsContact O-CG 3.26Å; I153-R157 WeakPolarHBondContact O-CG 3.44Å; I153-R157 PolarHBondContact O-N 3.06Å; I153-R157 VanDerWaalsContact O-N 3.15Å
154S88.1Confident86.3Confident49 Ų4955.4 Ų55.434%0.34329%0.285SS..Hα-helixtrans-65.8-47.3-17963.30000110.8E150 E151 R157 E158E150-S154 WeakPolarHBondContact O-CB 3.37Å; E150-S154 PolarHBondContact O-N 3.43Å; E150-S154 PolarHBondContact O-OG 3.46Å; E151-S154 PolarHBondContact O-N 3.36Å; E151-S154 PolarHBondContact O-OG 3.36Å; S154-R157 PolarHBondContact O-N 3.24Å; S154-E158 WeakPolarHBondContact O-CB 3.26Å; S154-E158 WeakPolarHBondContact O-CG 3.19Å; S154-E158 PolarHBondContact O-N 3.48Å
155G87.3Confident86.3Confident3 Ų351.2 Ų51.23%0.03127%0.266CS..Hα-helixtrans-64.2-42.8-179.800000112.7E151 R157 E158 H159E151-G155 WeakPolarHBondContact O-CA 3.35Å; E151-G155 PolarHBondContact O-N 2.95Å; G155-R157 VanDerWaalsContact C-N 3.29Å; G155-R157 PolarHBondContact O-N 2.81Å; G155-E158 PolarHBondContact O-N 2.76Å; G155-H159 WeakPolarHBondContact O-CB 3.46Å; G155-H159 PolarHBondContact O-CD2 3.35Å; G155-H159 VanDerWaalsContact O-CD2 3.28Å; G155-H159 PolarHBondContact O-N 2.65Å
156A86.6Confident86.2Confident0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-60.5-39.5173.800000111.8L90 F152 H159 M163 L166L90-A156 HydrophobicContact CD1-CB 4.25Å; L90-A156 HydrophobicContact CD2-CB 3.77Å; F152-A156 WeakPolarHBondContact O-CB 3.49Å; F152-A156 PolarHBondContact O-N 3.47Å; A156-H159 CarbonylContact O-C 3.56Å; A156-H159 VanDerWaalsContact O-O 3.11Å; A156-M163 HydrophobicContact CB-SD 4.21Å; A156-M163 WeakPolarHBondContact O-CB 3.36Å; A156-L166 HydrophobicContact CB-CD1 4.13Å
157R85.4Confident85.7Confident137 Ų13749 Ų4952%0.51725%0.251SS..Hα-helixtrans-72.3-35.1178.3-73.9169.3169.8178.9-6113.7N87 L90 I153 S154 G155 H159N87-R157 PolarHBondContact ND2-NH2 3Å; N87-R157 VanDerWaalsContact OD1-CZ 3.22Å; N87-R157 PolarHBondContact OD1-NE 3.47Å; N87-R157 VanDerWaalsContact OD1-NE 3.08Å; N87-R157 PolarHBondContact OD1-NH2 3.3Å; L90-R157 HydrophobicContact CD1-CG 4.5Å; I153-R157 WeakPolarHBondContact O-CB 3.43Å; I153-R157 WeakPolarHBondContact O-CD 2.78Å; I153-R157 VanDerWaalsContact O-CG 3.26Å; I153-R157 WeakPolarHBondContact O-CG 3.44Å; I153-R157 PolarHBondContact O-N 3.06Å; I153-R157 VanDerWaalsContact O-N 3.15Å; S154-R157 PolarHBondContact O-N 3.24Å; G155-R157 VanDerWaalsContact C-N 3.29Å; G155-R157 PolarHBondContact O-N 2.81Å; R157-H159 VanDerWaalsContact C-N 3.31Å
158E88.1Confident85Confident136 Ų13657.6 Ų57.664%0.63628%0.283SS*.Hα-helixtrans-76.1-22.2179.9-73.8179.2-171.100112.5S154 G155 P160S154-E158 WeakPolarHBondContact O-CB 3.26Å; S154-E158 WeakPolarHBondContact O-CG 3.19Å; S154-E158 PolarHBondContact O-N 3.48Å; G155-E158 PolarHBondContact O-N 2.76Å; E158-P160 WeakPolarHBondContact O-CD 3.36Å
159H87.1Confident83.8Confident47 Ų4757.8 Ų57.822%0.21828%0.283CS..  trans-117.790.2179.7-63.5-63000111.4K138 G155 A156 R157 D161 I162 M163K138-H159 PolarHBondContact O-NE2 2.6Å; G155-H159 WeakPolarHBondContact O-CB 3.46Å; G155-H159 PolarHBondContact O-CD2 3.35Å; G155-H159 VanDerWaalsContact O-CD2 3.28Å; G155-H159 PolarHBondContact O-N 2.65Å; A156-H159 CarbonylContact O-C 3.56Å; A156-H159 VanDerWaalsContact O-O 3.11Å; R157-H159 VanDerWaalsContact C-N 3.31Å; H159-D161 PolarHBondContact O-N 3.08Å; H159-D161 VanDerWaalsContact O-N 3.12Å; H159-I162 HydrophobicContact CB-CB 4.05Å; H159-I162 HydrophobicContact CB-CD1 3.8Å; H159-I162 HydrophobicContact CB-CG1 3.85Å; H159-I162 WeakPolarHBondContact O-CB 3.32Å; H159-I162 PolarHBondContact O-N 3.33Å; H159-M163 PolarHBondContact O-N 2.75Å
160P84.9Confident82.7Confident84 Ų8455 Ų5555%0.54527%0.268SS..Hα-helixtrans-55.3-32.6-179.2-26.734.3000113.8E158 I162 M163 D164E158-P160 WeakPolarHBondContact O-CD 3.36Å; P160-I162 VanDerWaalsContact C-N 3.35Å; P160-M163 PolarHBondContact O-N 3.47Å; P160-D164 WeakPolarHBondContact O-CB 3.31Å; P160-D164 VanDerWaalsContact O-CG 3.29Å; P160-D164 PolarHBondContact O-N 3.39Å
161D83.3Confident81.5Confident84 Ų8451.4 Ų51.445%0.44925%0.254SS..Hα-helixtrans-64.6-38.2176.358.4-51.2000112.4K138 H159 M165K138-D161 IonicContact NZ-OD1 3.48Å; K138-D161 PolarHBondContact NZ-OD1 3.43Å; K138-D161 IonicContact NZ-OD2 2.61Å; K138-D161 PolarHBondContact NZ-OD2 2.64Å; H159-D161 PolarHBondContact O-N 3.08Å; H159-D161 VanDerWaalsContact O-N 3.12Å; D161-M165 WeakPolarHBondContact O-CB 3.37Å; D161-M165 PolarHBondContact O-N 3.33Å
162I83.1Confident80.2Confident4 Ų451.4 Ų51.42%0.02125%0.254CS..Hα-helixtrans-70.7-43.1173.3-61.3-177.7000110.3I135 K138 I139 H159 P160 D164 M165 L166I135-I162 HydrophobicContact CG1-CG2 4.42Å; K138-I162 HydrophobicContact CB-CD1 3.69Å; K138-I162 HydrophobicContact CD-CD1 3.75Å; K138-I162 HydrophobicContact CD-CG1 4.28Å; K138-I162 HydrophobicContact CG-CD1 4.35Å; I139-I162 HydrophobicContact CD1-CD1 3.67Å; I139-I162 HydrophobicContact CD1-CG2 3.8Å; I139-I162 HydrophobicContact CG1-CD1 3.77Å; H159-I162 HydrophobicContact CB-CB 4.05Å; H159-I162 HydrophobicContact CB-CD1 3.8Å; H159-I162 HydrophobicContact CB-CG1 3.85Å; H159-I162 WeakPolarHBondContact O-CB 3.32Å; H159-I162 PolarHBondContact O-N 3.33Å; P160-I162 VanDerWaalsContact C-N 3.35Å; I162-D164 PolarHBondContact O-N 3.49Å; I162-M165 WeakPolarHBondContact O-CB 3.3Å; I162-M165 PolarHBondContact O-N 2.84Å; I162-L166 HydrophobicContact CG2-CD1 3.81Å; I162-L166 HydrophobicContact CG2-CG 4.09Å; I162-L166 WeakPolarHBondContact O-CB 3.37Å; I162-L166 WeakPolarHBondContact O-CG 3.47Å; I162-L166 PolarHBondContact O-N 2.69Å
163M83.6Confident78.7Confident24 Ų2454.2 Ų54.212%0.11827%0.271CS..Hα-helixtrans-59.1-47.6177.3-170.267.1-126.700111.8V86 L90 A156 H159 P160 M165 L166 T167V86-M163 HydrophobicContact CG1-CE 3.76Å; V86-M163 HydrophobicContact CG1-SD 3.79Å; L90-M163 HydrophobicContact CD1-SD 4.01Å; L90-M163 HydrophobicContact CD2-CE 3.87Å; L90-M163 HydrophobicContact CD2-SD 3.87Å; L90-M163 HydrophobicContact CG-CE 4.13Å; L90-M163 HydrophobicContact CG-SD 4.19Å; A156-M163 HydrophobicContact CB-SD 4.21Å; A156-M163 WeakPolarHBondContact O-CB 3.36Å; H159-M163 PolarHBondContact O-N 2.75Å; P160-M163 PolarHBondContact O-N 3.47Å; M163-M165 VanDerWaalsContact C-N 3.27Å; M163-M165 PolarHBondContact O-N 3.31Å; M163-L166 PolarHBondContact O-N 2.77Å; M163-T167 WeakPolarHBondContact CE-OG1 3.4Å; M163-T167 VanDerWaalsContact O-CB 3.29Å; M163-T167 WeakPolarHBondContact O-CB 3.12Å; M163-T167 PolarHBondContact O-N 3.44Å; M163-T167 PolarHBondContact O-OG1 2.67Å
164D81.6Confident76.9Confident96 Ų9658.5 Ų58.551%0.51329%0.291SS..Hα-helixtrans-65.3-35.3178.9-75.5-12.5000111.3P160 I162 R168P160-D164 WeakPolarHBondContact O-CB 3.31Å; P160-D164 VanDerWaalsContact O-CG 3.29Å; P160-D164 PolarHBondContact O-N 3.39Å; I162-D164 PolarHBondContact O-N 3.49Å; D164-R168 WeakPolarHBondContact O-CB 3.44Å; D164-R168 VanDerWaalsContact O-CG 3.24Å; D164-R168 WeakPolarHBondContact O-CG 3.31Å; D164-R168 PolarHBondContact O-N 2.94Å; D164-R168 PolarHBondContact O-NE 2.63Å; D164-R168 VanDerWaalsContact O-NE 3.1Å
165M79.2Confident75.3Confident28 Ų2857.1 Ų57.114%0.13828%0.28CS..Hα-helixtrans-67.6-51.2175.9179.7-176.382.600111.4I131 I135 D161 I162 M163 T167 R168 M169I131-M165 HydrophobicContact CG2-CE 3.55Å; I131-M165 HydrophobicContact CG2-SD 3.87Å; I135-M165 HydrophobicContact CD1-CE 3.66Å; I135-M165 HydrophobicContact CG1-CE 3.78Å; D161-M165 WeakPolarHBondContact O-CB 3.37Å; D161-M165 PolarHBondContact O-N 3.33Å; I162-M165 WeakPolarHBondContact O-CB 3.3Å; I162-M165 PolarHBondContact O-N 2.84Å; M163-M165 VanDerWaalsContact C-N 3.27Å; M163-M165 PolarHBondContact O-N 3.31Å; M165-T167 VanDerWaalsContact C-N 3.34Å; M165-T167 PolarHBondContact O-N 3.11Å; M165-R168 PolarHBondContact O-N 3.25Å; M165-M169 HydrophobicContact CB-CE 4.47Å; M165-M169 HydrophobicContact CE-CE 3.85Å; M165-M169 HydrophobicContact CG-CE 3.1Å; M165-M169 WeakPolarHBondContact O-CB 3.35Å; M165-M169 WeakPolarHBondContact O-CG 2.97Å; M165-M169 PolarHBondContact O-N 3.21Å; M165-M169 HydrophobicContact SD-CE 3.58Å; M165-M169 VanDerWaalsContact SD-CE 3.58Å
166L79Confident73.6Confident0 Ų057.4 Ų57.40%028%0.281CS..Hα-helixtrans-59.1-45.7175.6-72.3173.2000110.7L90 F97 F114 F152 A156 I162 M163 R168 M169 M170L90-L166 HydrophobicContact CD2-CD1 4.37Å; F97-L166 HydrophobicContact CE2-CD2 3.9Å; F97-L166 HydrophobicContact CZ-CD2 4.04Å; F114-L166 HydrophobicContact CZ-CD2 4.25Å; F152-L166 HydrophobicContact CE2-CD1 3.96Å; F152-L166 HydrophobicContact CZ-CD1 3.7Å; F152-L166 HydrophobicContact CZ-CD2 4.36Å; A156-L166 HydrophobicContact CB-CD1 4.13Å; I162-L166 HydrophobicContact CG2-CD1 3.81Å; I162-L166 HydrophobicContact CG2-CG 4.09Å; I162-L166 WeakPolarHBondContact O-CB 3.37Å; I162-L166 WeakPolarHBondContact O-CG 3.47Å; I162-L166 PolarHBondContact O-N 2.69Å; M163-L166 PolarHBondContact O-N 2.77Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 2.89Å; L166-M169 PolarHBondContact O-N 3.34Å; L166-M170 WeakPolarHBondContact O-CA 2.98Å; L166-M170 WeakPolarHBondContact O-CB 3.26Å; L166-M170 WeakPolarHBondContact O-CG 2.99Å; L166-M170 PolarHBondContact O-N 2.79Å
167T77.8Confident71.9Confident53 Ų5361.4 Ų61.433%0.32530%0.3SS..Hα-helixtrans-62.5-40.3-179.9-55.20000112M163 M165 M170 D171M163-T167 WeakPolarHBondContact CE-OG1 3.4Å; M163-T167 VanDerWaalsContact O-CB 3.29Å; M163-T167 WeakPolarHBondContact O-CB 3.12Å; M163-T167 PolarHBondContact O-N 3.44Å; M163-T167 PolarHBondContact O-OG1 2.67Å; M165-T167 VanDerWaalsContact C-N 3.34Å; M165-T167 PolarHBondContact O-N 3.11Å; T167-M170 CarbonylContact O-C 3.56Å; T167-D171 WeakPolarHBondContact O-CA 3.23Å; T167-D171 WeakPolarHBondContact O-CB 3.31Å; T167-D171 PolarHBondContact O-N 2.78Å; T167-D171 VanDerWaalsContact O-N 3.09Å
168R74.6Confident70.2Confident181 Ų18157.9 Ų57.968%0.68329%0.291SS*.Hα-helixtrans-74.7-39.8178.8-75.8-178-66.3155.8-1.3113.2D164 M165 L166 D171D164-R168 WeakPolarHBondContact O-CB 3.44Å; D164-R168 VanDerWaalsContact O-CG 3.24Å; D164-R168 WeakPolarHBondContact O-CG 3.31Å; D164-R168 PolarHBondContact O-N 2.94Å; D164-R168 PolarHBondContact O-NE 2.63Å; D164-R168 VanDerWaalsContact O-NE 3.1Å; M165-R168 PolarHBondContact O-N 3.25Å; L166-R168 VanDerWaalsContact C-N 3.34Å; L166-R168 PolarHBondContact O-N 2.89Å; R168-D171 WeakPolarHBondContact O-CB 3.28Å; R168-D171 PolarHBondContact O-N 2.93Å
169M66.7Low68.3Low37 Ų3752.8 Ų52.818%0.18227%0.268CS..Hα-helixtrans-74.3-37-180-77.5-157.8-87.900112F114 I117 I131 M165 L166 D171F114-M169 HydrophobicContact CD1-CE 3.72Å; F114-M169 HydrophobicContact CD1-SD 3.62Å; F114-M169 HydrophobicContact CE1-CE 3.31Å; F114-M169 HydrophobicContact CE1-SD 3.78Å; F114-M169 HydrophobicContact CZ-CE 4.2Å; I117-M169 HydrophobicContact CD1-CB 4.5Å; I117-M169 HydrophobicContact CG2-CB 4.15Å; I117-M169 WeakPolarHBondContact CG2-O 3.06Å; I131-M169 HydrophobicContact CD1-CE 3.93Å; I131-M169 HydrophobicContact CD1-SD 4.02Å; I131-M169 HydrophobicContact CG2-CE 3.86Å; M165-M169 HydrophobicContact CB-CE 4.47Å; M165-M169 HydrophobicContact CE-CE 3.85Å; M165-M169 HydrophobicContact CG-CE 3.1Å; M165-M169 WeakPolarHBondContact O-CB 3.35Å; M165-M169 WeakPolarHBondContact O-CG 2.97Å; M165-M169 PolarHBondContact O-N 3.21Å; M165-M169 HydrophobicContact SD-CE 3.58Å; M165-M169 VanDerWaalsContact SD-CE 3.58Å; L166-M169 PolarHBondContact O-N 3.34Å; M169-D171 PolarHBondContact O-N 3.45Å
170M66.1Low66.4Low1 Ų152.2 Ų52.21%0.00527%0.267CS..THydrogen-bonded Turntrans-8817.4171.8-56.8-56.5-65.400112.1Y53 W92 Y93 L96 F97 I117 L166 T167 L172Y53-M170 HydrophobicContact CE2-CE 4.36Å; Y53-M170 WeakPolarHBondContact OH-CE 2.91Å; W92-M170 HydrophobicContact CH2-CE 4.37Å; W92-M170 HydrophobicContact CZ3-CE 3.98Å; Y93-M170 HydrophobicContact CD1-CB 3.76Å; Y93-M170 HydrophobicContact CD1-CE 3.63Å; Y93-M170 HydrophobicContact CD1-CG 3.77Å; Y93-M170 HydrophobicContact CD2-CG 4.34Å; Y93-M170 HydrophobicContact CE1-CB 3.23Å; Y93-M170 HydrophobicContact CE1-CE 4.06Å; Y93-M170 HydrophobicContact CE1-CG 3.79Å; Y93-M170 HydrophobicContact CE2-CB 4.07Å; Y93-M170 HydrophobicContact CE2-CG 4.34Å; Y93-M170 HydrophobicContact CG-CB 4.41Å; Y93-M170 HydrophobicContact CG-CE 4.46Å; Y93-M170 HydrophobicContact CG-CG 4.08Å; L96-M170 HydrophobicContact CD2-CE 3.16Å; F97-M170 HydrophobicContact CE1-CE 3.97Å; F97-M170 HydrophobicContact CE1-SD 3.67Å; F97-M170 HydrophobicContact CZ-CE 4.46Å; F97-M170 HydrophobicContact CZ-CG 4.17Å; F97-M170 HydrophobicContact CZ-SD 3.85Å; I117-M170 HydrophobicContact CD1-SD 3.43Å; I117-M170 WeakPolarHBondContact CD1-SD 3.46Å; L166-M170 WeakPolarHBondContact O-CA 2.98Å; L166-M170 WeakPolarHBondContact O-CB 3.26Å; L166-M170 WeakPolarHBondContact O-CG 2.99Å; L166-M170 PolarHBondContact O-N 2.79Å; T167-M170 CarbonylContact O-C 3.56Å; M170-L172 PolarHBondContact O-N 3.15Å
171D64.3Low64.6Low83 Ų8352.3 Ų52.344%0.44426%0.259SS..  trans-73.579.7173.8-163.54.9000108.6T167 R168 M169 T173T167-D171 WeakPolarHBondContact O-CA 3.23Å; T167-D171 WeakPolarHBondContact O-CB 3.31Å; T167-D171 PolarHBondContact O-N 2.78Å; T167-D171 VanDerWaalsContact O-N 3.09Å; R168-D171 WeakPolarHBondContact O-CB 3.28Å; R168-D171 PolarHBondContact O-N 2.93Å; M169-D171 PolarHBondContact O-N 3.45Å; D171-T173 PolarHBondContact O-N 3.29Å; D171-T173 WeakPolarHBondContact OD1-CB 2.82Å; D171-T173 PolarHBondContact OD1-N 2.84Å; D171-T173 PolarHBondContact OD1-OG1 3.22Å
172L61.7Low62.8Low11 Ų1150 Ų506%0.05825%0.251CS..THydrogen-bonded Turntrans-64.410.7167.3-67.3-169.3000111.1Y53 V57 L81 W92 M170 Q174 V175 L176Y53-L172 HydrophobicContact CE1-CD2 4.31Å; V57-L172 HydrophobicContact CG1-CD1 4.26Å; L81-L172 HydrophobicContact CD1-CB 4.26Å; L81-L172 HydrophobicContact CD1-CD1 4.18Å; L81-L172 HydrophobicContact CD2-CB 4.14Å; L81-L172 HydrophobicContact CD2-CD1 3.96Å; L81-L172 HydrophobicContact CD2-CG 4.46Å; W92-L172 HydrophobicContact CH2-CD1 3.45Å; W92-L172 VanDerWaalsContact CH2-CD1 3.45Å; W92-L172 HydrophobicContact CH2-CG 4.42Å; W92-L172 HydrophobicContact CZ2-CD1 4.25Å; W92-L172 HydrophobicContact CZ3-CD1 4.11Å; M170-L172 PolarHBondContact O-N 3.15Å; L172-Q174 PolarHBondContact O-N 3.24Å; L172-Q174 VanDerWaalsContact O-N 3.1Å; L172-V175 HydrophobicContact CB-CB 4.08Å; L172-V175 HydrophobicContact CD2-CB 4.07Å; L172-V175 HydrophobicContact CD2-CG2 3.75Å; L172-V175 CarbonylContact O-C 3.5Å; L172-V175 WeakPolarHBondContact O-CA 3.04Å; L172-V175 PolarHBondContact O-N 3.1Å; L172-L176 WeakPolarHBondContact O-CB 3.35Å; L172-L176 PolarHBondContact O-N 3Å
173T56.2Low61.2Low59 Ų5950.1 Ų50.136%0.36225%0.252SS..Hα-helixtrans-51-29.7166-64.90000111.4D171 E177D171-T173 PolarHBondContact O-N 3.29Å; D171-T173 WeakPolarHBondContact OD1-CB 2.82Å; D171-T173 PolarHBondContact OD1-N 2.84Å; D171-T173 PolarHBondContact OD1-OG1 3.22Å; T173-E177 HydrophobicContact CG2-CG 4Å; T173-E177 WeakPolarHBondContact O-CA 3.36Å; T173-E177 WeakPolarHBondContact O-CB 3.18Å; T173-E177 WeakPolarHBondContact O-CG 3.49Å; T173-E177 PolarHBondContact O-N 3.28Å
174Q51.4Low59.2Low112 Ų11255 Ų5552%0.52328%0.275SS..Hα-helixtrans-72.1-39.2170.8-71.4-165.991.500113.4L172 E177 I178L172-Q174 PolarHBondContact O-N 3.24Å; L172-Q174 VanDerWaalsContact O-N 3.1Å; Q174-E177 CarbonylContact O-C 3.52Å; Q174-E177 PolarHBondContact O-N 3.42Å; Q174-I178 WeakPolarHBondContact O-CB 3.13Å; Q174-I178 WeakPolarHBondContact O-CD1 3.18Å; Q174-I178 WeakPolarHBondContact O-CG1 3.46Å; Q174-I178 PolarHBondContact O-N 2.92Å
175V53.2Low57.1Low20 Ų2058.9 Ų58.912%0.12128%0.283CS..Hα-helixtrans-68.1-42.9174.3166.10000110.8L41 L172 I178 I179L41-V175 HydrophobicContact CD1-CG1 4.5Å; L41-V175 HydrophobicContact CD1-CG2 4.34Å; L41-V175 HydrophobicContact CD2-CB 4.22Å; L41-V175 HydrophobicContact CD2-CG1 4.09Å; L41-V175 HydrophobicContact CD2-CG2 3.92Å; L172-V175 HydrophobicContact CB-CB 4.08Å; L172-V175 HydrophobicContact CD2-CB 4.07Å; L172-V175 HydrophobicContact CD2-CG2 3.75Å; L172-V175 CarbonylContact O-C 3.5Å; L172-V175 WeakPolarHBondContact O-CA 3.04Å; L172-V175 PolarHBondContact O-N 3.1Å; V175-I178 PolarHBondContact O-N 3.38Å; V175-I179 HydrophobicContact CG1-CD1 3.66Å; V175-I179 HydrophobicContact CG1-CG1 4.43Å; V175-I179 VanDerWaalsContact O-CB 3.23Å; V175-I179 WeakPolarHBondContact O-CB 3.02Å; V175-I179 WeakPolarHBondContact O-CD1 3.24Å; V175-I179 WeakPolarHBondContact O-CG1 3.33Å; V175-I179 PolarHBondContact O-N 3.27Å
176L52.3Low55.5Low9 Ų961.9 Ų61.95%0.04730%0.303CS..Hα-helixtrans-62.3-42.5168.3-86.5169.8000111.1I78 L81 L82 L172 I178 I179 V180I78-L176 HydrophobicContact CG1-CD2 4.09Å; L81-L176 HydrophobicContact CB-CD1 3.41Å; L81-L176 VanDerWaalsContact CB-CD1 3.41Å; L81-L176 HydrophobicContact CB-CD2 4.29Å; L81-L176 HydrophobicContact CB-CG 4.02Å; L81-L176 HydrophobicContact CD1-CD1 4.11Å; L81-L176 HydrophobicContact CD1-CD2 4.12Å; L81-L176 HydrophobicContact CD1-CG 3.8Å; L81-L176 HydrophobicContact CG-CD1 4.38Å; L82-L176 HydrophobicContact CD2-CD1 3.67Å; L82-L176 HydrophobicContact CD2-CD2 4.47Å; L82-L176 HydrophobicContact CG-CD1 4.12Å; L82-L176 HydrophobicContact CG-CD2 4.39Å; L172-L176 WeakPolarHBondContact O-CB 3.35Å; L172-L176 PolarHBondContact O-N 3Å; L176-I178 VanDerWaalsContact C-N 3.28Å; L176-I178 PolarHBondContact O-N 3.42Å; L176-I179 PolarHBondContact O-N 3.12Å; L176-V180 VanDerWaalsContact O-CA 3.28Å; L176-V180 WeakPolarHBondContact O-CA 3.44Å; L176-V180 WeakPolarHBondContact O-CB 3.38Å; L176-V180 WeakPolarHBondContact O-CG2 3.49Å; L176-V180 PolarHBondContact O-N 3.38Å
177E49.8Very low53.5Low83 Ų8368.2 Ų68.239%0.38834%0.337SS..Hα-helixtrans-69.9-28.4177.2-85.4-166.4153.100110.4T173 Q174 K181T173-E177 HydrophobicContact CG2-CG 4Å; T173-E177 WeakPolarHBondContact O-CA 3.36Å; T173-E177 WeakPolarHBondContact O-CB 3.18Å; T173-E177 WeakPolarHBondContact O-CG 3.49Å; T173-E177 PolarHBondContact O-N 3.28Å; Q174-E177 CarbonylContact O-C 3.52Å; Q174-E177 PolarHBondContact O-N 3.42Å; E177-K181 HydrophobicContact CB-CD 4.13Å; E177-K181 HydrophobicContact CB-CG 4.43Å; E177-K181 HydrophobicContact CG-CD 4.46Å; E177-K181 WeakPolarHBondContact O-CA 3.43Å; E177-K181 WeakPolarHBondContact O-CB 3.36Å; E177-K181 WeakPolarHBondContact O-CG 3.32Å; E177-K181 PolarHBondContact O-N 3.49Å; E177-K181 WeakPolarHBondContact OE1-CE 3.14Å; E177-K181 IonicContact OE1-NZ 2.94Å; E177-K181 PolarHBondContact OE1-NZ 2.98Å; E177-K181 IonicContact OE2-NZ 2.67Å; E177-K181 PolarHBondContact OE2-NZ 3.05Å
178I49.5Very low51.5Low64 Ų6471.4 Ų71.433%0.32835%0.351SS..Hα-helixtrans-80.5-41.8174.6-69.9164.1000109.9M40 L41 Q174 V175 L176 V180 A182M40-I178 WeakPolarHBondContact O-CG2 3.3Å; L41-I178 HydrophobicContact CD2-CB 4.12Å; L41-I178 HydrophobicContact CD2-CD1 4.31Å; L41-I178 HydrophobicContact CD2-CG2 3.94Å; Q174-I178 WeakPolarHBondContact O-CB 3.13Å; Q174-I178 WeakPolarHBondContact O-CD1 3.18Å; Q174-I178 WeakPolarHBondContact O-CG1 3.46Å; Q174-I178 PolarHBondContact O-N 2.92Å; V175-I178 PolarHBondContact O-N 3.38Å; L176-I178 VanDerWaalsContact C-N 3.28Å; L176-I178 PolarHBondContact O-N 3.42Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.16Å; I178-A182 WeakPolarHBondContact O-CA 3.42Å; I178-A182 WeakPolarHBondContact O-CB 2.99Å; I178-A182 PolarHBondContact O-N 3.24Å
179I48.6Very low49.6Very low29 Ų2967.4 Ų67.415%0.14935%0.348CS..Hα-helixtrans-59.6-44.6170.3-69.6167.5000109.3L37 Y74 V175 L176 L183L37-I179 HydrophobicContact CD1-CD1 4.25Å; Y74-I179 HydrophobicContact CE2-CG2 3.59Å; Y74-I179 VanDerWaalsContact OH-CG2 3.3Å; Y74-I179 WeakPolarHBondContact OH-CG2 3.36Å; V175-I179 HydrophobicContact CG1-CD1 3.66Å; V175-I179 HydrophobicContact CG1-CG1 4.43Å; V175-I179 VanDerWaalsContact O-CB 3.23Å; V175-I179 WeakPolarHBondContact O-CB 3.02Å; V175-I179 WeakPolarHBondContact O-CD1 3.24Å; V175-I179 WeakPolarHBondContact O-CG1 3.33Å; V175-I179 PolarHBondContact O-N 3.27Å; L176-I179 PolarHBondContact O-N 3.12Å; I179-L183 VanDerWaalsContact O-CB 3.26Å; I179-L183 WeakPolarHBondContact O-CB 3.01Å; I179-L183 WeakPolarHBondContact O-CD1 3.24Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å
180V48.2Very low48.5Very low34 Ų3470.4 Ų70.421%0.20638%0.379CS..Hα-helixtrans-87.5-18.7-176.3-1790000113.9W19 L176 I178 L183 H184W19-V180 HydrophobicContact CH2-CG2 3.83Å; W19-V180 HydrophobicContact CZ3-CG2 4.09Å; L176-V180 VanDerWaalsContact O-CA 3.28Å; L176-V180 WeakPolarHBondContact O-CA 3.44Å; L176-V180 WeakPolarHBondContact O-CB 3.38Å; L176-V180 WeakPolarHBondContact O-CG2 3.49Å; L176-V180 PolarHBondContact O-N 3.38Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.16Å; V180-L183 CarbonylContact O-C 3.59Å; V180-L183 WeakPolarHBondContact O-CA 3.24Å; V180-L183 WeakPolarHBondContact O-CB 3.43Å; V180-H184 PolarHBondContact O-N 3.39Å
181K45.9Very low47.4Very low87 Ų8774.9 Ų74.938%0.37841%0.406SS..Hα-helixtrans-104.6-21.7172.9-61.1171.9177.9163.30114.6E177 L183 H184 Y185E177-K181 HydrophobicContact CB-CD 4.13Å; E177-K181 HydrophobicContact CB-CG 4.43Å; E177-K181 HydrophobicContact CG-CD 4.46Å; E177-K181 WeakPolarHBondContact O-CA 3.43Å; E177-K181 WeakPolarHBondContact O-CB 3.36Å; E177-K181 WeakPolarHBondContact O-CG 3.32Å; E177-K181 PolarHBondContact O-N 3.49Å; E177-K181 WeakPolarHBondContact OE1-CE 3.14Å; E177-K181 IonicContact OE1-NZ 2.94Å; E177-K181 PolarHBondContact OE1-NZ 2.98Å; E177-K181 IonicContact OE2-NZ 2.67Å; E177-K181 PolarHBondContact OE2-NZ 3.05Å; K181-L183 PolarHBondContact O-N 2.72Å; K181-H184 VanDerWaalsContact C-N 3.3Å; K181-H184 HydrophobicContact CB-CB 4.44Å; K181-H184 CarbonylContact O-C 3.34Å; K181-H184 WeakPolarHBondContact O-CA 3.43Å; K181-H184 PolarHBondContact O-N 3.28Å; K181-Y185 PolarHBondContact O-N 2.83Å
182A46.8Very low46Very low35 Ų3574.4 Ų74.429%0.28941%0.409SS..Hα-helixtrans-53.3-33.3151.600000108.8I178 H184I178-A182 WeakPolarHBondContact O-CA 3.42Å; I178-A182 WeakPolarHBondContact O-CB 2.99Å; I178-A182 PolarHBondContact O-N 3.24Å; A182-H184 PolarHBondContact O-N 3.07Å
183L49.2Very low45.3Very low7 Ų782 Ų824%0.03744%0.444CS..THydrogen-bonded Turntrans-75-4.7168.7-82.5-179.3000117W19 K22 R25 E26 Y74 I179 V180 K181W19-L183 HydrophobicContact CZ3-CD1 4.12Å; K22-L183 HydrophobicContact CB-CD1 4.41Å; K22-L183 HydrophobicContact CB-CD2 3.71Å; K22-L183 HydrophobicContact CD-CB 4.31Å; K22-L183 HydrophobicContact CD-CD1 3.53Å; K22-L183 HydrophobicContact CD-CD2 3.61Å; K22-L183 HydrophobicContact CD-CG 3.99Å; K22-L183 VanDerWaalsContact CE-CB 3.46Å; K22-L183 HydrophobicContact CG-CD1 4.29Å; K22-L183 HydrophobicContact CG-CD2 3.46Å; K22-L183 VanDerWaalsContact CG-CD2 3.46Å; K22-L183 HydrophobicContact CG-CG 4.38Å; R25-L183 PolarHBondContact NH2-O 2.79Å; E26-L183 HydrophobicContact CG-CD2 3.54Å; E26-L183 HydrophobicContact CG-CG 4.29Å; Y74-L183 WeakPolarHBondContact OH-CD1 3.38Å; I179-L183 VanDerWaalsContact O-CB 3.26Å; I179-L183 WeakPolarHBondContact O-CB 3.01Å; I179-L183 WeakPolarHBondContact O-CD1 3.24Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å; V180-L183 CarbonylContact O-C 3.59Å; V180-L183 WeakPolarHBondContact O-CA 3.24Å; V180-L183 WeakPolarHBondContact O-CB 3.43Å; K181-L183 PolarHBondContact O-N 2.72Å
184H40.7Very low44.8Very low127 Ų12787.8 Ų87.859%0.58847%0.466SS*.THydrogen-bonded Turntrans-116.5-23.4169.3-87.7150.3000114.5V180 K181 A182 V186 N187V180-H184 PolarHBondContact O-N 3.39Å; K181-H184 VanDerWaalsContact C-N 3.3Å; K181-H184 HydrophobicContact CB-CB 4.44Å; K181-H184 CarbonylContact O-C 3.34Å; K181-H184 WeakPolarHBondContact O-CA 3.43Å; K181-H184 PolarHBondContact O-N 3.28Å; A182-H184 PolarHBondContact O-N 3.07Å; H184-V186 PolarHBondContact O-N 3.21Å; H184-N187 PolarHBondContact O-N 3.15Å; H184-N187 VanDerWaalsContact O-N 3.15Å
185Y39.2Very low44.2Very low177 Ų17787.1 Ų87.169%0.69447%0.473SS*.THydrogen-bonded Turntrans-76.80.3-175.7-108.2-89000115K181 N187 L188K181-Y185 PolarHBondContact O-N 2.83Å; Y185-N187 VanDerWaalsContact C-N 3.35Å; Y185-L188 HydrophobicContact CD1-CD1 4.15Å; Y185-L188 HydrophobicContact CE1-CD1 3.85Å
186V43.7Very low44Very low91 Ų9192.1 Ų92.155%0.55251%0.508SS*.THydrogen-bonded Turntrans-87-6.8168.5-166.80000112H184H184-V186 PolarHBondContact O-N 3.21Å
187N38.2Very low43.7Very low133 Ų13394.7 Ų94.771%0.71154%0.538SS*.  trans-111.521.2-178.5-97.5-28.1000115H184 Y185 P189H184-N187 PolarHBondContact O-N 3.15Å; H184-N187 VanDerWaalsContact O-N 3.15Å; Y185-N187 VanDerWaalsContact C-N 3.35Å; N187-P189 WeakPolarHBondContact O-CD 3.43Å
188L34.8Very low43.2Very low119 Ų11996.9 Ų96.962%0.62356%0.557SS**SBendtrans-83.2117.9155.3-86.5154.3000107.3Y185 A190Y185-L188 HydrophobicContact CD1-CD1 4.15Å; Y185-L188 HydrophobicContact CE1-CD1 3.85Å; L188-A190 PolarHBondContact O-N 2.68Å
189P36.2Very low42.7Very low97 Ų9798.7 Ų98.763%0.6358%0.581SS**  trans-54125160.423.1-29.2000105.7N187 V191N187-P189 WeakPolarHBondContact O-CD 3.43Å; P189-V191 HydrophobicContact CB-CG2 4.26Å; P189-V191 HydrophobicContact CG-CG2 4.09Å; P189-V191 PolarHBondContact O-N 3.06Å
190A42.5Very low42.1Very low101 Ų101103.9 Ų103.984%0.83561%0.608SS**  trans-60.486.6164.200000106.4L188 C192L188-A190 PolarHBondContact O-N 2.68Å; A190-C192 PolarHBondContact O-N 2.87Å
191V42.3Very low41.8Very low94 Ų94110.6 Ų110.657%0.5764%0.637SS**  trans-74.685.8169.5-170.50000104.4P189 H193P189-V191 HydrophobicContact CB-CG2 4.26Å; P189-V191 HydrophobicContact CG-CG2 4.09Å; P189-V191 PolarHBondContact O-N 3.06Å; V191-H193 PolarHBondContact O-N 2.86Å
192C36.8Very low41.4Very low73 Ų73113.5 Ų113.549%0.49366%0.655SS.*  trans-62.894.6163.6-177.10000106.7A190 H194 C195A190-C192 PolarHBondContact O-N 2.87Å; C192-H194 PolarHBondContact O-N 3.38Å; C192-C195 HydrophobicContact CB-CB 4.17Å; C192-C195 PolarHBondContact O-N 3.37Å; C192-C195 PolarHBondContact SG-N 3.42Å
193H45.2Very low40.8Very low171 Ų171119.7 Ų119.779%0.79268%0.677SS**THydrogen-bonded Turntrans-66.210.9173.4-90.3-74.7000113.3V191V191-H193 PolarHBondContact O-N 2.86Å
194H47Very low40.4Very low181 Ų181127.5 Ų127.584%0.83872%0.718SS**THydrogen-bonded Turntrans-127.2-5.3178.6-119.571.2000115.5C192 S196C192-H194 PolarHBondContact O-N 3.38Å; H194-S196 PolarHBondContact O-N 3.3Å
195C38.8Very low40Very low98 Ų98129.1 Ų129.166%0.66273%0.731SS**  trans-100.988.2176.3-810000110.7C192 G197C192-C195 HydrophobicContact CB-CB 4.17Å; C192-C195 PolarHBondContact O-N 3.37Å; C192-C195 PolarHBondContact SG-N 3.42Å; C195-G197 PolarHBondContact O-N 3.32Å
196S48Very low40.1Very low124 Ų124129.5 Ų129.587%0.86774%0.739SS**  trans-58.692.2152.9160.40000109H194H194-S196 PolarHBondContact O-N 3.3Å
197G47.1Very low39.5Very low64 Ų64129.4 Ų129.466%0.6675%0.748SS**SBendtrans48.189.4154.500000117.5C195C195-G197 PolarHBondContact O-N 3.32Å
198T38.7Very low39.4Very low128 Ų128129.4 Ų129.479%0.78575%0.752SS**  trans-158.7129.1135.5-30.70000108.8I200T198-I200 PolarHBondContact O-N 2.91Å
199A38.9Very low39.3Very low102 Ų102133.3 Ų133.384%0.84379%0.787SS**  trans-64.9123.2175.100000110
200I36.8Very low39.5Very low138 Ų138135.1 Ų135.171%0.70880%0.795SS**  trans-106.9109.4172.5-58.9178.5000108.1T198 I202T198-I200 PolarHBondContact O-N 2.91Å; I200-I202 HydrophobicContact CG2-CG1 3.82Å; I200-I202 PolarHBondContact O-N 2.9Å
201H41Very low39.3Very low176 Ų176136.9 Ų136.982%0.81579%0.793SS**  trans-67.3107163.8-135.8-81.7000107.2H203H201-H203 PolarHBondContact O-N 3.35Å
202I38.8Very low39.2Very low147 Ų147139.3 Ų139.375%0.75481%0.805SS**  trans-92101175-58.7179.9000108.1I200I200-I202 HydrophobicContact CG2-CG1 3.82Å; I200-I202 PolarHBondContact O-N 2.9Å
203H33Very low39.3Very low165 Ų165143.2 Ų143.276%0.76482%0.823SS**  trans-66.4130.2159.6-98.117.9000109.3H201 N205H201-H203 PolarHBondContact O-N 3.35Å; H203-N205 PolarHBondContact O-N 3.46Å
204L41.7Very low39Very low172 Ų172141.4 Ų141.490%0.90183%0.825SS**  trans-53.8123.9161.9-77.5152.7000109.6
205N31.8Very low38.4Very low161 Ų161138.8 Ų138.886%0.86183%0.825SS**  trans-155.4135.7149.7-127.8-4.9000113H203H203-N205 PolarHBondContact O-N 3.46Å
206H40.2Very low38.4Very low185 Ų185141.7 Ų141.786%0.85684%0.836SS**  trans-44.2144.4168.5-101-142.3000115
207A32Very low37.7Very low89 Ų89143.1 Ų143.174%0.73683%0.834SS**  trans166.2110.7133.500000108.4
208V35.9Very low36.9Very low132 Ų132149.7 Ų149.780%0.885%0.848SS**  46.3103.493.4-171.50000113.9
209C33.8Very low36.7Very low201 Ų201151.6 Ų151.6100%1.35885%0.854SS**  -172.80118-101.80000109.3

Retrieved 209 of 209 residues in 374.6 ms (Link to these results)

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