A0A077ZJQ8_TRITR Loading...

GDPD and GPDPase memb domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M43.9Very low69.6Low236 Ų236144.6 Ų144.6100%1.16367%0.665SS**  0119.90-69.5-175.8-10800108H3M1-H3 PolarHBondContact O-N 3.07Å
2R53.9Low70.3Confident248 Ų248140.8 Ų140.894%0.93665%0.645SS**  trans-58.8129.7-179.7-86.8177.2167.2171.3-4.2109.3L4R2-L4 PolarHBondContact O-N 3.18Å; R2-L4 VanDerWaalsContact O-N 3.12Å
3H61.7Low70.8Confident181 Ų181134.2 Ų134.284%0.83862%0.618SS**  trans-51.3113.3-176.7-60.9-79.3000111.4M1 R5M1-H3 PolarHBondContact O-N 3.07Å; H3-R5 PolarHBondContact O-N 3.21Å
4L62.8Low70.8Confident146 Ų146133.6 Ų133.676%0.76461%0.613SS**  trans-61121.5163.4-79.4161.2000107R2 T8R2-L4 PolarHBondContact O-N 3.18Å; R2-L4 VanDerWaalsContact O-N 3.12Å; L4-T8 HydrophobicContact CD2-CG2 4.14Å
5R79.6Confident70.8Confident185 Ų185131.7 Ų131.770%0.69860%0.6SS**  trans-72.6141179.4-47.9-174.2-177.9175.21.1108.4H3 E7 T8H3-R5 PolarHBondContact O-N 3.21Å; R5-E7 WeakPolarHBondContact CB-OE2 3.47Å; R5-E7 PolarHBondContact O-N 3.18Å; R5-T8 VanDerWaalsContact O-CB 3.25Å; R5-T8 WeakPolarHBondContact O-CB 3.4Å; R5-T8 PolarHBondContact O-N 3.45Å; R5-T8 PolarHBondContact O-OG1 3.37Å
6P77.2Confident70.9Confident84 Ų84130.8 Ų130.855%0.54559%0.594SS.*Hα-helixtrans-52.3-32.3-177.3-27.134.8000113.7T8 F9 F10P6-T8 PolarHBondContact O-N 2.84Å; P6-F9 WeakPolarHBondContact O-CB 3.42Å; P6-F9 PolarHBondContact O-N 2.63Å; P6-F9 VanDerWaalsContact O-N 3.1Å; P6-F10 HydrophobicContact CB-CE2 4.43Å; P6-F10 WeakPolarHBondContact O-CD2 3.25Å; P6-F10 PolarHBondContact O-N 2.66Å; P6-F10 VanDerWaalsContact O-N 3.13Å
7E77.4Confident70.7Confident125 Ų125128.8 Ų128.858%0.58459%0.589SS**Hα-helixtrans-62.6-32.9178.1-51.576.2-163.300111.6R5 F10 F11R5-E7 WeakPolarHBondContact CB-OE2 3.47Å; R5-E7 PolarHBondContact O-N 3.18Å; E7-F10 PolarHBondContact O-N 2.96Å; E7-F11 WeakPolarHBondContact O-CB 3.31Å; E7-F11 PolarHBondContact O-N 3.24Å
8T74.5Confident70Confident51 Ų51126.8 Ų126.831%0.31358%0.583SS.*Hα-helixtrans-66.2-40175-48.40000111.2L4 R5 P6 F12L4-T8 HydrophobicContact CD2-CG2 4.14Å; R5-T8 VanDerWaalsContact O-CB 3.25Å; R5-T8 WeakPolarHBondContact O-CB 3.4Å; R5-T8 PolarHBondContact O-N 3.45Å; R5-T8 PolarHBondContact O-OG1 3.37Å; P6-T8 PolarHBondContact O-N 2.84Å; T8-F12 HydrophobicContact CG2-CD2 3.86Å; T8-F12 HydrophobicContact CG2-CE2 3.54Å; T8-F12 WeakPolarHBondContact O-CD2 3.26Å; T8-F12 PolarHBondContact O-N 2.58Å; T8-F12 VanDerWaalsContact O-N 3.09Å
9F78.5Confident69.4Low132 Ų132123.3 Ų123.358%0.57957%0.569SS**Hα-helixtrans-64.8-45.3176.2176.8-96.1000111.6P6 F12 L13P6-F9 WeakPolarHBondContact O-CB 3.42Å; P6-F9 PolarHBondContact O-N 2.63Å; P6-F9 VanDerWaalsContact O-N 3.1Å; F9-F12 PolarHBondContact O-N 2.66Å; F9-L13 HydrophobicContact CE1-CD2 4.22Å; F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 3.07Å
10F77.8Confident68.9Low77 Ų77120.1 Ų120.134%0.33856%0.556SS.*Hα-helixtrans-69-34.5178.4-68.9-66.5000113.2P6 E7 F12 L13 F14 I67P6-F10 HydrophobicContact CB-CE2 4.43Å; P6-F10 WeakPolarHBondContact O-CD2 3.25Å; P6-F10 PolarHBondContact O-N 2.66Å; P6-F10 VanDerWaalsContact O-N 3.13Å; E7-F10 PolarHBondContact O-N 2.96Å; F10-F12 VanDerWaalsContact C-N 3.34Å; F10-L13 HydrophobicContact CD1-CD2 4.46Å; F10-L13 PolarHBondContact O-N 3.47Å; F10-F14 VanDerWaalsContact O-CB 3.25Å; F10-F14 WeakPolarHBondContact O-CB 3.34Å; F10-F14 PolarHBondContact O-N 2.86Å; F10-I67 HydrophobicContact CE1-CG1 4.24Å
11F78.9Confident68.2Low126 Ų126118.3 Ų118.355%0.55356%0.555SS**Hα-helixtrans-58.1-48.1170.5174.4-97.7000110.9E7 Y15E7-F11 WeakPolarHBondContact O-CB 3.31Å; E7-F11 PolarHBondContact O-N 3.24Å; F11-Y15 VanDerWaalsContact O-CB 3.24Å; F11-Y15 WeakPolarHBondContact O-CB 3.39Å; F11-Y15 PolarHBondContact O-N 3.37Å
12F77.6Confident68.9Low98 Ų98113.2 Ų113.243%0.4353%0.527SS..Hα-helixtrans-67.7-42.3177.2-75.5-61.2000112.2T8 F9 F10 F14 Y15 F16T8-F12 HydrophobicContact CG2-CD2 3.86Å; T8-F12 HydrophobicContact CG2-CE2 3.54Å; T8-F12 WeakPolarHBondContact O-CD2 3.26Å; T8-F12 PolarHBondContact O-N 2.58Å; T8-F12 VanDerWaalsContact O-N 3.09Å; F9-F12 PolarHBondContact O-N 2.66Å; F10-F12 VanDerWaalsContact C-N 3.34Å; F12-F14 PolarHBondContact O-N 3.35Å; F12-Y15 CarbonylContact O-C 3.54Å; F12-Y15 WeakPolarHBondContact O-CA 3.34Å; F12-Y15 WeakPolarHBondContact O-CB 3.16Å; F12-Y15 PolarHBondContact O-N 3.44Å; F12-Y15 VanDerWaalsContact O-N 3.17Å; F12-F16 HydrophobicContact CB-CD2 4.23Å; F12-F16 HydrophobicContact CB-CE2 4.21Å; F12-F16 WeakPolarHBondContact O-CB 3.36Å; F12-F16 WeakPolarHBondContact O-CD2 3.46Å; F12-F16 PolarHBondContact O-N 3.42Å
13L76.6Confident68.8Low55 Ų55101.7 Ų101.729%0.28849%0.485SS..Hα-helixtrans-60.7-44.3177.4-176.265.2000112F9 F10 F16 L17F9-L13 HydrophobicContact CE1-CD2 4.22Å; F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 3.07Å; F10-L13 HydrophobicContact CD1-CD2 4.46Å; F10-L13 PolarHBondContact O-N 3.47Å; L13-F16 PolarHBondContact O-N 3.47Å; L13-L17 HydrophobicContact CD1-CD1 4.22Å; L13-L17 HydrophobicContact CD1-CG 4.49Å; L13-L17 HydrophobicContact CG-CD1 4.11Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.36Å
14F70.7Confident68.2Low127 Ų12797.2 Ų97.256%0.55747%0.467SS*.Hα-helixtrans-62.5-42.5173.5178.4-99000111.5F10 F12 L17 L18F10-F14 VanDerWaalsContact O-CB 3.25Å; F10-F14 WeakPolarHBondContact O-CB 3.34Å; F10-F14 PolarHBondContact O-N 2.86Å; F12-F14 PolarHBondContact O-N 3.35Å; F14-L17 PolarHBondContact O-N 3.25Å; F14-L18 HydrophobicContact CE1-CB 4.46Å; F14-L18 HydrophobicContact CE1-CD2 4.06Å; F14-L18 HydrophobicContact CE2-CB 4.39Å; F14-L18 HydrophobicContact CE2-CD1 4Å; F14-L18 HydrophobicContact CZ-CB 4.29Å; F14-L18 HydrophobicContact CZ-CD1 3.96Å; F14-L18 HydrophobicContact CZ-CD2 3.85Å; F14-L18 HydrophobicContact CZ-CG 4.25Å; F14-L18 VanDerWaalsContact O-CB 3.22Å; F14-L18 WeakPolarHBondContact O-CB 3.14Å; F14-L18 PolarHBondContact O-N 2.67Å
15Y71.6Confident67.9Low105 Ų10594.4 Ų94.441%0.41247%0.465SS..Hα-helixtrans-59.2-45173-177.8-82.9000111.8F11 F12 I19 L20F11-Y15 VanDerWaalsContact O-CB 3.24Å; F11-Y15 WeakPolarHBondContact O-CB 3.39Å; F11-Y15 PolarHBondContact O-N 3.37Å; F12-Y15 CarbonylContact O-C 3.54Å; F12-Y15 WeakPolarHBondContact O-CA 3.34Å; F12-Y15 WeakPolarHBondContact O-CB 3.16Å; F12-Y15 PolarHBondContact O-N 3.44Å; F12-Y15 VanDerWaalsContact O-N 3.17Å; Y15-I19 HydrophobicContact CD2-CD1 3.4Å; Y15-I19 HydrophobicContact CD2-CG1 4.46Å; Y15-I19 HydrophobicContact CE2-CB 4.5Å; Y15-I19 HydrophobicContact CE2-CD1 3.52Å; Y15-I19 HydrophobicContact CE2-CG2 4.4Å; Y15-I19 HydrophobicContact CG-CD1 4.17Å; Y15-I19 WeakPolarHBondContact O-CA 3.32Å; Y15-I19 VanDerWaalsContact O-CB 3.31Å; Y15-I19 WeakPolarHBondContact O-CB 3.36Å; Y15-I19 PolarHBondContact O-N 2.9Å; Y15-L20 PolarHBondContact O-N 3.36Å
16F72.4Confident66.4Low116 Ų11691.5 Ų91.551%0.50946%0.462SS..Hα-helixtrans-65.9-38.5178.4-83.4-73.1000112.6F12 L13 L20F12-F16 HydrophobicContact CB-CD2 4.23Å; F12-F16 HydrophobicContact CB-CE2 4.21Å; F12-F16 WeakPolarHBondContact O-CB 3.36Å; F12-F16 WeakPolarHBondContact O-CD2 3.46Å; F12-F16 PolarHBondContact O-N 3.42Å; L13-F16 PolarHBondContact O-N 3.47Å; F16-L20 HydrophobicContact CD1-CD1 3.2Å; F16-L20 HydrophobicContact CE1-CD1 3.58Å; F16-L20 HydrophobicContact CG-CD1 4.28Å; F16-L20 WeakPolarHBondContact O-CB 3.36Å
17L67.8Low65Low98 Ų9893 Ų9351%0.51346%0.46SS..Hα-helixtrans-81.4-36.2-179.2-72.7170.7000113.5L13 F14 P21L13-L17 HydrophobicContact CD1-CD1 4.22Å; L13-L17 HydrophobicContact CD1-CG 4.49Å; L13-L17 HydrophobicContact CG-CD1 4.11Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.36Å; F14-L17 PolarHBondContact O-N 3.25Å; L17-P21 VanDerWaalsContact O-CD 3.27Å; L17-P21 WeakPolarHBondContact O-CD 3.35Å; L17-P21 VanDerWaalsContact O-CG 3.28Å; L17-P21 WeakPolarHBondContact O-CG 3.37Å
18L57.4Low63.6Low92 Ų9298.4 Ų98.448%0.48248%0.475SS..Hα-helixtrans-96.6-36.1-173.2-165.1109.6000113.2F14 F22F14-L18 HydrophobicContact CE1-CB 4.46Å; F14-L18 HydrophobicContact CE1-CD2 4.06Å; F14-L18 HydrophobicContact CE2-CB 4.39Å; F14-L18 HydrophobicContact CE2-CD1 4Å; F14-L18 HydrophobicContact CZ-CB 4.29Å; F14-L18 HydrophobicContact CZ-CD1 3.96Å; F14-L18 HydrophobicContact CZ-CD2 3.85Å; F14-L18 HydrophobicContact CZ-CG 4.25Å; F14-L18 VanDerWaalsContact O-CB 3.22Å; F14-L18 WeakPolarHBondContact O-CB 3.14Å; F14-L18 PolarHBondContact O-N 2.67Å; L18-F22 WeakPolarHBondContact O-CD2 3.26Å
19I58.7Low62.4Low60 Ų6098.5 Ų98.531%0.30848%0.476SS..THydrogen-bonded Turntrans-92.1-40.2-176.7-68.3169.1000110Y15 F22 A23Y15-I19 HydrophobicContact CD2-CD1 3.4Å; Y15-I19 HydrophobicContact CD2-CG1 4.46Å; Y15-I19 HydrophobicContact CE2-CB 4.5Å; Y15-I19 HydrophobicContact CE2-CD1 3.52Å; Y15-I19 HydrophobicContact CE2-CG2 4.4Å; Y15-I19 HydrophobicContact CG-CD1 4.17Å; Y15-I19 WeakPolarHBondContact O-CA 3.32Å; Y15-I19 VanDerWaalsContact O-CB 3.31Å; Y15-I19 WeakPolarHBondContact O-CB 3.36Å; Y15-I19 PolarHBondContact O-N 2.9Å; I19-F22 CarbonylContact O-C 3.36Å; I19-F22 PolarHBondContact O-N 2.75Å; I19-F22 VanDerWaalsContact O-N 3.11Å; I19-A23 HydrophobicContact CG2-CB 4.33Å; I19-A23 WeakPolarHBondContact O-CA 3.38Å; I19-A23 VanDerWaalsContact O-CB 3.24Å; I19-A23 WeakPolarHBondContact O-CB 3.24Å; I19-A23 PolarHBondContact O-N 2.75Å
20L60.1Low61.3Low60 Ų6097.3 Ų97.331%0.31448%0.481SS..Hα-helixtrans-66.5-40-169.5-127.6158.4000115.1Y15 F16 F22 A23Y15-L20 PolarHBondContact O-N 3.36Å; F16-L20 HydrophobicContact CD1-CD1 3.2Å; F16-L20 HydrophobicContact CE1-CD1 3.58Å; F16-L20 HydrophobicContact CG-CD1 4.28Å; F16-L20 WeakPolarHBondContact O-CB 3.36Å; L20-F22 PolarHBondContact O-N 2.65Å; L20-A23 PolarHBondContact O-N 3Å
21P53.9Low60Low82 Ų82100.6 Ų100.653%0.53250%0.502SS..Hα-helixtrans-63.3-30.5173.1-21.433.3000113L17L17-P21 VanDerWaalsContact O-CD 3.27Å; L17-P21 WeakPolarHBondContact O-CD 3.35Å; L17-P21 VanDerWaalsContact O-CG 3.28Å; L17-P21 WeakPolarHBondContact O-CG 3.37Å
22F57.7Low58.4Low129 Ų12997.8 Ų97.857%0.56649%0.492SS*.Hα-helixtrans-101-6-177.5-57.7-88.5000113.3L18 I19 L20 N24 A25 I26L18-F22 WeakPolarHBondContact O-CD2 3.26Å; I19-F22 CarbonylContact O-C 3.36Å; I19-F22 PolarHBondContact O-N 2.75Å; I19-F22 VanDerWaalsContact O-N 3.11Å; L20-F22 PolarHBondContact O-N 2.65Å; F22-N24 PolarHBondContact O-N 3.07Å; F22-A25 WeakPolarHBondContact O-CA 3.15Å; F22-A25 WeakPolarHBondContact O-CB 3.47Å; F22-A25 PolarHBondContact O-N 2.5Å; F22-I26 PolarHBondContact O-N 2.81Å
23A52.3Low56.9Low7 Ų795.9 Ų95.96%0.05849%0.491CS..Hα-helixtrans-63-31.2-178.100000110.1I19 L20 A25 I26 F27 L32I19-A23 HydrophobicContact CG2-CB 4.33Å; I19-A23 WeakPolarHBondContact O-CA 3.38Å; I19-A23 VanDerWaalsContact O-CB 3.24Å; I19-A23 WeakPolarHBondContact O-CB 3.24Å; I19-A23 PolarHBondContact O-N 2.75Å; L20-A23 PolarHBondContact O-N 3Å; A23-A25 VanDerWaalsContact C-N 3.28Å; A23-A25 PolarHBondContact O-N 2.76Å; A23-I26 PolarHBondContact O-N 3.26Å; A23-F27 CarbonylContact O-C 3.42Å; A23-F27 WeakPolarHBondContact O-CA 3.49Å; A23-F27 PolarHBondContact O-N 3.28Å; A23-L32 HydrophobicContact CB-CD2 4.4Å
24N48.9Very low55.4Low86 Ų86101.4 Ų101.446%0.4651%0.513SS..Hα-helixtrans-65.7-29.5173.7-119.2-4.3000113.1F22F22-N24 PolarHBondContact O-N 3.07Å
25A55.8Low54.3Low88 Ų88100.1 Ų100.173%0.72752%0.515SS*.Hα-helixtrans-78.2-29.317800000112.7F22 A23F22-A25 WeakPolarHBondContact O-CA 3.15Å; F22-A25 WeakPolarHBondContact O-CB 3.47Å; F22-A25 PolarHBondContact O-N 2.5Å; A23-A25 VanDerWaalsContact C-N 3.28Å; A23-A25 PolarHBondContact O-N 2.76Å
26I49.9Very low53.2Low124 Ų12499 Ų9964%0.63652%0.519SS*.Hα-helixtrans-107.2-35.3-171.3-55.4173.8000112.3F22 A23F22-I26 PolarHBondContact O-N 2.81Å; A23-I26 PolarHBondContact O-N 3.26Å
27F46.7Very low52.4Low116 Ų11698.1 Ų98.151%0.50952%0.519SS..  trans-126.192.2-172.9-66.1-75.9000111.6A23 T29A23-F27 CarbonylContact O-C 3.42Å; A23-F27 WeakPolarHBondContact O-CA 3.49Å; A23-F27 PolarHBondContact O-N 3.28Å; F27-T29 VanDerWaalsContact C-N 3.3Å; F27-T29 PolarHBondContact O-N 2.87Å
28R47.1Very low51.8Low237 Ų23796 Ų9689%0.89451%0.511SS*.  trans-76.782163.2-68.9-176.6-172.6-109.91.2109.3
29T51.2Low51.8Low54 Ų5496.5 Ų96.533%0.33151%0.513SS..  trans-107143.5166.769.10000110.4F27 L31 L32 S33F27-T29 VanDerWaalsContact C-N 3.3Å; F27-T29 PolarHBondContact O-N 2.87Å; T29-L31 PolarHBondContact O-N 3.46Å; T29-L32 PolarHBondContact O-N 3.44Å; T29-L32 VanDerWaalsContact O-N 3.14Å; T29-L32 WeakPolarHBondContact OG1-CD1 3.21Å; T29-S33 PolarHBondContact O-N 2.94Å
30P54Low51.9Low106 Ų10697 Ų9769%0.68851%0.513SS*.THydrogen-bonded Turntrans-59.4-19.7-179.1-24.633.3000115S33P30-S33 WeakPolarHBondContact CA-OG 3.2Å; P30-S33 PolarHBondContact O-OG 2.93Å
31L50.8Low51.8Low147 Ų14797.4 Ų97.477%0.7752%0.515SS*.THydrogen-bonded Turntrans-82.1-39.4178.8-135.589.6000111.7T29T29-L31 PolarHBondContact O-N 3.46Å
32L44.4Very low52.2Low66 Ų6698 Ų9835%0.34651%0.513SS..G310 helixtrans-80.1-28.3179-88.6144.1000112.5A23 T29 K34 V35A23-L32 HydrophobicContact CB-CD2 4.4Å; T29-L32 PolarHBondContact O-N 3.44Å; T29-L32 VanDerWaalsContact O-N 3.14Å; T29-L32 WeakPolarHBondContact OG1-CD1 3.21Å; L32-K34 PolarHBondContact O-N 3.44Å; L32-K34 VanDerWaalsContact O-N 3.1Å; L32-V35 PolarHBondContact O-N 2.9Å
33S46.5Very low52.1Low59 Ų5995.5 Ų95.541%0.41350%0.503SS..G310 helixtrans-64.8-11.4173.466.50000113.8T29 P30 T36T29-S33 PolarHBondContact O-N 2.94Å; P30-S33 WeakPolarHBondContact CA-OG 3.2Å; P30-S33 PolarHBondContact O-OG 2.93Å; S33-T36 WeakPolarHBondContact O-CG2 3.47Å
34K45.5Very low52.4Low170 Ų17097.8 Ų97.874%0.73952%0.522SS*.G310 helixtrans-85.6-16.1173.9-68.8-177.9179.4-1730113.3L32 T36L32-K34 PolarHBondContact O-N 3.44Å; L32-K34 VanDerWaalsContact O-N 3.1Å; K34-T36 VanDerWaalsContact C-N 3.3Å
35V47.3Very low53Low101 Ų10195.3 Ų95.361%0.61251%0.509SS*.SBendtrans-102.755.1171.1-167.50000107.5L32 I37L32-V35 PolarHBondContact O-N 2.9Å; V35-I37 PolarHBondContact O-N 3.26Å
36T48.6Very low53.5Low80 Ų8095.2 Ų95.249%0.49150%0.502SS..PPolyproline II helixtrans-70.9121.6164.135.80000106.7S33 K34 P38S33-T36 WeakPolarHBondContact O-CG2 3.47Å; K34-T36 VanDerWaalsContact C-N 3.3Å; T36-P38 WeakPolarHBondContact O-CD 3.38Å; T36-P38 VanDerWaalsContact O-N 3.12Å
37I55Low54.4Low98 Ų9897.4 Ų97.450%0.50351%0.51SS..PPolyproline II helixtrans-58.7116.4157.7-63.9173.7000104V35 I39 I41 L42V35-I37 PolarHBondContact O-N 3.26Å; I37-I39 PolarHBondContact O-N 3.46Å; I37-I41 HydrophobicContact CG2-CB 3.76Å; I37-I41 HydrophobicContact CG2-CD1 4.26Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 HydrophobicContact CG2-CG2 3.98Å; I37-L42 HydrophobicContact CG2-CD2 4.38Å; I37-L42 HydrophobicContact CG2-CG 4.22Å
38P56.9Low55.7Low53 Ų5395.7 Ų95.734%0.34451%0.506SS..PPolyproline II helixtrans-54.1136.1178.2-26.235.7000109.4T36 F40 I41T36-P38 WeakPolarHBondContact O-CD 3.38Å; T36-P38 VanDerWaalsContact O-N 3.12Å; P38-F40 HydrophobicContact CB-CD1 3.27Å; P38-F40 HydrophobicContact CB-CE1 3.03Å; P38-F40 HydrophobicContact CB-CG 4.14Å; P38-F40 HydrophobicContact CB-CZ 3.73Å; P38-F40 HydrophobicContact CG-CD1 4.35Å; P38-F40 HydrophobicContact CG-CE1 3.65Å; P38-F40 HydrophobicContact CG-CZ 3.99Å; P38-F40 PolarHBondContact O-N 2.66Å; P38-F40 VanDerWaalsContact O-N 3.1Å; P38-I41 HydrophobicContact CB-CG1 4.4Å; P38-I41 HydrophobicContact CG-CD1 4.32Å; P38-I41 WeakPolarHBondContact O-CB 3.07Å; P38-I41 PolarHBondContact O-N 2.92Å
39I56.9Low57.2Low104 Ų10491.7 Ų91.753%0.53350%0.496SS..Hα-helixtrans-58.9-30.3-172.4-156.6150.8000112I37 I41 L42 E43 A323I37-I39 PolarHBondContact O-N 3.46Å; I39-I41 PolarHBondContact O-N 3.46Å; I39-I41 VanDerWaalsContact O-N 3.16Å; I39-L42 WeakPolarHBondContact O-CA 3.14Å; I39-L42 WeakPolarHBondContact O-CB 2.93Å; I39-L42 PolarHBondContact O-N 3.26Å; I39-E43 PolarHBondContact O-N 2.84Å; I39-A323 HydrophobicContact CG2-CB 4.08Å
40F59.9Low58.4Low69 Ų6994.4 Ų94.430%0.30351%0.507SS..Hα-helixtrans-57.9-29.1173.475.7-105.5000113.5P38 A44 L321P38-F40 HydrophobicContact CB-CD1 3.27Å; P38-F40 HydrophobicContact CB-CE1 3.03Å; P38-F40 HydrophobicContact CB-CG 4.14Å; P38-F40 HydrophobicContact CB-CZ 3.73Å; P38-F40 HydrophobicContact CG-CD1 4.35Å; P38-F40 HydrophobicContact CG-CE1 3.65Å; P38-F40 HydrophobicContact CG-CZ 3.99Å; P38-F40 PolarHBondContact O-N 2.66Å; P38-F40 VanDerWaalsContact O-N 3.1Å; F40-A44 WeakPolarHBondContact O-CB 3.3Å; F40-A44 PolarHBondContact O-N 3.32Å; F40-L321 HydrophobicContact CD1-CD1 3.7Å; F40-L321 HydrophobicContact CE1-CD1 4.08Å; F40-L321 HydrophobicContact CG-CD1 4.21Å
41I58.7Low59.4Low70 Ų7093.2 Ų93.236%0.35949%0.491SS..Hα-helixtrans-69.8-41.5174.9-60.1-172.7000109.5I37 P38 I39 L45I37-I41 HydrophobicContact CG2-CB 3.76Å; I37-I41 HydrophobicContact CG2-CD1 4.26Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 HydrophobicContact CG2-CG2 3.98Å; P38-I41 HydrophobicContact CB-CG1 4.4Å; P38-I41 HydrophobicContact CG-CD1 4.32Å; P38-I41 WeakPolarHBondContact O-CB 3.07Å; P38-I41 PolarHBondContact O-N 2.92Å; I39-I41 PolarHBondContact O-N 3.46Å; I39-I41 VanDerWaalsContact O-N 3.16Å; I41-L45 HydrophobicContact CG2-CD1 4Å; I41-L45 HydrophobicContact CG2-CG 4.48Å; I41-L45 WeakPolarHBondContact O-CB 2.89Å; I41-L45 WeakPolarHBondContact O-CD1 3.41Å; I41-L45 WeakPolarHBondContact O-CG 3.15Å; I41-L45 PolarHBondContact O-N 3.23Å
42L62.2Low60.6Low95 Ų9589.1 Ų89.150%0.49747%0.47SS..Hα-helixtrans-65.9-41.4176.5-63.5174.3000110.9I37 I39 L45 S46I37-L42 HydrophobicContact CG2-CD2 4.38Å; I37-L42 HydrophobicContact CG2-CG 4.22Å; I39-L42 WeakPolarHBondContact O-CA 3.14Å; I39-L42 WeakPolarHBondContact O-CB 2.93Å; I39-L42 PolarHBondContact O-N 3.26Å; L42-L45 PolarHBondContact O-N 2.95Å; L42-S46 WeakPolarHBondContact O-CB 3.48Å; L42-S46 PolarHBondContact O-N 2.84Å
43E56.2Low62.4Low76 Ų7689.9 Ų89.936%0.35547%0.474SS..Hα-helixtrans-66.3-47.3176.5-73.2166.9-163.700111.7I39 L45 S46 E47 A323I39-E43 PolarHBondContact O-N 2.84Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.99Å; E43-S46 WeakPolarHBondContact CA-OG 3.29Å; E43-S46 CarbonylContact O-C 3.56Å; E43-S46 WeakPolarHBondContact O-CA 3.44Å; E43-S46 WeakPolarHBondContact O-CB 3.22Å; E43-S46 PolarHBondContact O-N 2.87Å; E43-S46 PolarHBondContact O-OG 2.86Å; E43-E47 PolarHBondContact O-N 3.4Å; E43-A323 VanDerWaalsContact OE2-CB 3.29Å; E43-A323 WeakPolarHBondContact OE2-CB 3.46Å
44A59.1Low64.1Low55 Ų5592 Ų9246%0.45548%0.481SS..Hα-helixtrans-60.2-36.4175.600000112.4F40 S46 N48F40-A44 WeakPolarHBondContact O-CB 3.3Å; F40-A44 PolarHBondContact O-N 3.32Å; A44-S46 VanDerWaalsContact C-N 3.33Å; A44-N48 PolarHBondContact O-N 3.05Å
45L61.1Low65.7Low34 Ų3487.3 Ų87.318%0.17846%0.463CS..Hα-helixtrans-67.9-33.5171.6-72.6169000112.2I41 L42 E43 N48 F51 L52 L55I41-L45 HydrophobicContact CG2-CD1 4Å; I41-L45 HydrophobicContact CG2-CG 4.48Å; I41-L45 WeakPolarHBondContact O-CB 2.89Å; I41-L45 WeakPolarHBondContact O-CD1 3.41Å; I41-L45 WeakPolarHBondContact O-CG 3.15Å; I41-L45 PolarHBondContact O-N 3.23Å; L42-L45 PolarHBondContact O-N 2.95Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 2.99Å; L45-N48 CarbonylContact O-C 3.55Å; L45-F51 HydrophobicContact CD2-CD1 3.69Å; L45-F51 HydrophobicContact CD2-CE1 3.84Å; L45-L52 HydrophobicContact CD2-CD1 4.31Å; L45-L55 HydrophobicContact CD2-CD1 3.42Å; L45-L55 VanDerWaalsContact CD2-CD1 3.42Å
46S65.7Low67.4Low85 Ų8586.3 Ų86.359%0.59445%0.453SS*.Hα-helixtrans-73.9-36.5178.381.10000112.8L42 E43 A44 N48L42-S46 WeakPolarHBondContact O-CB 3.48Å; L42-S46 PolarHBondContact O-N 2.84Å; E43-S46 WeakPolarHBondContact CA-OG 3.29Å; E43-S46 CarbonylContact O-C 3.56Å; E43-S46 WeakPolarHBondContact O-CA 3.44Å; E43-S46 WeakPolarHBondContact O-CB 3.22Å; E43-S46 PolarHBondContact O-N 2.87Å; E43-S46 PolarHBondContact O-OG 2.86Å; A44-S46 VanDerWaalsContact C-N 3.33Å; S46-N48 VanDerWaalsContact C-N 3.32Å
47E69.1Low69Low170 Ų17086 Ų8679%0.79445%0.451SS*.Hα-helixtrans-69.7-32.4177.1-69.9-159172.500111.9E43E43-E47 PolarHBondContact O-N 3.4Å
48N74Confident70.1Confident81 Ų8182.4 Ų82.443%0.43344%0.436SS..  trans-114.977.3-177.1-161.8-24.2000111.9A44 L45 S46 L50 F51 L52A44-N48 PolarHBondContact O-N 3.05Å; L45-N48 CarbonylContact O-C 3.55Å; S46-N48 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 3.24Å; N48-L50 VanDerWaalsContact O-N 3.14Å; N48-F51 HydrophobicContact CB-CB 3.83Å; N48-F51 WeakPolarHBondContact O-CA 3.19Å; N48-F51 WeakPolarHBondContact O-CB 3.09Å; N48-F51 PolarHBondContact O-N 2.77Å; N48-F51 PolarHBondContact OD1-N 2.95Å; N48-F51 VanDerWaalsContact OD1-N 3.09Å; N48-L52 PolarHBondContact O-N 3.28Å
49F77.9Confident71Confident153 Ų15382.5 Ų82.567%0.67144%0.438SS*.Hα-helixtrans-52.8-35.6177.4-178.4-100.7000113.2L52 L53F49-L52 PolarHBondContact O-N 2.86Å; F49-L53 WeakPolarHBondContact O-CB 3.31Å; F49-L53 PolarHBondContact O-N 3.23Å
50L77.1Confident72.1Confident110 Ų11082.4 Ų82.458%0.57644%0.438SS*.Hα-helixtrans-64.5-42.2176.1-179.465.2000111.3N48 L53 L54N48-L50 PolarHBondContact O-N 3.24Å; N48-L50 VanDerWaalsContact O-N 3.14Å; L50-L53 PolarHBondContact O-N 3.25Å; L50-L54 HydrophobicContact CG-CD1 4.25Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.45Å
51F74.5Confident72.9Confident81 Ų8182.1 Ų82.136%0.35544%0.441SS..Hα-helixtrans-64.6-43.2176.7-175.6-117.1000112L45 N48 L53 L54 L55L45-F51 HydrophobicContact CD2-CD1 3.69Å; L45-F51 HydrophobicContact CD2-CE1 3.84Å; N48-F51 HydrophobicContact CB-CB 3.83Å; N48-F51 WeakPolarHBondContact O-CA 3.19Å; N48-F51 WeakPolarHBondContact O-CB 3.09Å; N48-F51 PolarHBondContact O-N 2.77Å; N48-F51 PolarHBondContact OD1-N 2.95Å; N48-F51 VanDerWaalsContact OD1-N 3.09Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-L53 PolarHBondContact O-N 3.18Å; F51-L54 PolarHBondContact O-N 2.74Å; F51-L55 HydrophobicContact CD1-CD1 4.04Å; F51-L55 HydrophobicContact CE1-CD1 3.62Å; F51-L55 HydrophobicContact CE1-CG 4.41Å; F51-L55 HydrophobicContact CE2-CG 4.48Å; F51-L55 HydrophobicContact CZ-CD1 3.89Å; F51-L55 HydrophobicContact CZ-CD2 4.49Å; F51-L55 HydrophobicContact CZ-CG 4.28Å; F51-L55 WeakPolarHBondContact O-CG 3.36Å; F51-L55 PolarHBondContact O-N 3.11Å
52L76.3Confident73.6Confident61 Ų6182.5 Ų82.532%0.31945%0.447SS..Hα-helixtrans-58.8-45.8173177.963000111.6L45 N48 F49 L54 L55 I56L45-L52 HydrophobicContact CD2-CD1 4.31Å; N48-L52 PolarHBondContact O-N 3.28Å; F49-L52 PolarHBondContact O-N 2.86Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.46Å; L52-L55 PolarHBondContact O-N 2.94Å; L52-I56 HydrophobicContact CD1-CD1 4.15Å; L52-I56 HydrophobicContact CD1-CG1 4.4Å; L52-I56 HydrophobicContact CG-CD1 4.01Å; L52-I56 WeakPolarHBondContact O-CG1 3.46Å; L52-I56 PolarHBondContact O-N 3.02Å
53L82Confident74Confident83 Ų8379.8 Ų79.844%0.43544%0.436SS..Hα-helixtrans-60.4-44.2177.1-17768.4000111.4F49 L50 F51 L55 I56 V57F49-L53 WeakPolarHBondContact O-CB 3.31Å; F49-L53 PolarHBondContact O-N 3.23Å; L50-L53 PolarHBondContact O-N 3.25Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-L53 PolarHBondContact O-N 3.18Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L53-L55 PolarHBondContact O-N 2.61Å; L53-I56 PolarHBondContact O-N 3.35Å; L53-V57 WeakPolarHBondContact O-CB 3.38Å; L53-V57 VanDerWaalsContact O-CG2 3.28Å; L53-V57 WeakPolarHBondContact O-CG2 3.32Å; L53-V57 PolarHBondContact O-N 3.08Å
54L81.8Confident74.8Confident104 Ų10483 Ų8355%0.54545%0.446SS..Hα-helixtrans-62.4-40.1177.3-73.7170.7000112L50 F51 L52 A58L50-L54 HydrophobicContact CG-CD1 4.25Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.28Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.45Å; F51-L54 PolarHBondContact O-N 2.74Å; L52-L54 VanDerWaalsContact C-N 3.34Å; L52-L54 PolarHBondContact O-N 3.46Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 2.89Å
55L79.6Confident75.2Confident70 Ų7082.6 Ų82.637%0.36644%0.435SS..Hα-helixtrans-66.8-42175.9-74.9173.1000112.4L45 F51 L52 L53 A58 S59L45-L55 HydrophobicContact CD2-CD1 3.42Å; L45-L55 VanDerWaalsContact CD2-CD1 3.42Å; F51-L55 HydrophobicContact CD1-CD1 4.04Å; F51-L55 HydrophobicContact CE1-CD1 3.62Å; F51-L55 HydrophobicContact CE1-CG 4.41Å; F51-L55 HydrophobicContact CE2-CG 4.48Å; F51-L55 HydrophobicContact CZ-CD1 3.89Å; F51-L55 HydrophobicContact CZ-CD2 4.49Å; F51-L55 HydrophobicContact CZ-CG 4.28Å; F51-L55 WeakPolarHBondContact O-CG 3.36Å; F51-L55 PolarHBondContact O-N 3.11Å; L52-L55 PolarHBondContact O-N 2.94Å; L53-L55 VanDerWaalsContact C-N 3.35Å; L53-L55 PolarHBondContact O-N 2.61Å; L55-A58 PolarHBondContact O-N 3.44Å; L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 3.05Å
56I82Confident75.4Confident80 Ų8082.7 Ų82.741%0.4144%0.444SS..Hα-helixtrans-61-51.1174.8-69.1168.5000109.7L52 L53 A58 S59 I60L52-I56 HydrophobicContact CD1-CD1 4.15Å; L52-I56 HydrophobicContact CD1-CG1 4.4Å; L52-I56 HydrophobicContact CG-CD1 4.01Å; L52-I56 WeakPolarHBondContact O-CG1 3.46Å; L52-I56 PolarHBondContact O-N 3.02Å; L53-I56 PolarHBondContact O-N 3.35Å; I56-A58 VanDerWaalsContact C-N 3.34Å; I56-A58 PolarHBondContact O-N 2.86Å; I56-S59 PolarHBondContact O-N 3.1Å; I56-S59 PolarHBondContact O-OG 2.85Å; I56-I60 HydrophobicContact CG2-CD1 3.75Å; I56-I60 HydrophobicContact CG2-CG1 4.46Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 3.27Å
57V82Confident75.6Confident74 Ų7484.2 Ų84.245%0.44845%0.445SS..Hα-helixtrans-59.4-45.3178.4171.50000110.8L53 S59 I60 V61L53-V57 WeakPolarHBondContact O-CB 3.38Å; L53-V57 VanDerWaalsContact O-CG2 3.28Å; L53-V57 WeakPolarHBondContact O-CG2 3.32Å; L53-V57 PolarHBondContact O-N 3.08Å; V57-S59 PolarHBondContact O-N 2.84Å; V57-I60 PolarHBondContact O-N 2.95Å; V57-V61 HydrophobicContact CG1-CG2 4.28Å; V57-V61 WeakPolarHBondContact O-CB 2.87Å; V57-V61 VanDerWaalsContact O-CG2 3.25Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3Å
58A79.1Confident75.5Confident22 Ų2280.7 Ų80.718%0.18243%0.43CS..Hα-helixtrans-60-43.7176.400000111.8L54 L55 I56 I60 V61 V62 L85L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 2.89Å; L55-A58 PolarHBondContact O-N 3.44Å; I56-A58 VanDerWaalsContact C-N 3.34Å; I56-A58 PolarHBondContact O-N 2.86Å; A58-I60 VanDerWaalsContact C-N 3.34Å; A58-I60 PolarHBondContact O-N 2.66Å; A58-V61 PolarHBondContact O-N 3.44Å; A58-V62 WeakPolarHBondContact O-CB 2.88Å; A58-V62 VanDerWaalsContact O-CG2 3.26Å; A58-V62 WeakPolarHBondContact O-CG2 3.08Å; A58-V62 PolarHBondContact O-N 2.62Å; A58-L85 HydrophobicContact CB-CD1 4.45Å
59S76.8Confident75.3Confident56 Ų5688.6 Ų88.639%0.39245%0.454SS..Hα-helixtrans-63.5-38.4177.878.20000112.7L55 I56 V57 S63L55-S59 WeakPolarHBondContact O-CB 3.45Å; L55-S59 PolarHBondContact O-N 3.05Å; I56-S59 PolarHBondContact O-N 3.1Å; I56-S59 PolarHBondContact O-OG 2.85Å; V57-S59 PolarHBondContact O-N 2.84Å; S59-S63 VanDerWaalsContact O-CB 3.3Å; S59-S63 WeakPolarHBondContact O-CB 2.92Å; S59-S63 PolarHBondContact O-N 3.2Å; S59-S63 PolarHBondContact O-OG 3.09Å
60I79.7Confident74.6Confident102 Ų10282.7 Ų82.752%0.52343%0.431SS..Hα-helixtrans-67.7-45.5176.5-68.4168.8000109.8I56 V57 A58 S63 Y64I56-I60 HydrophobicContact CG2-CD1 3.75Å; I56-I60 HydrophobicContact CG2-CG1 4.46Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 3.27Å; V57-I60 PolarHBondContact O-N 2.95Å; A58-I60 VanDerWaalsContact C-N 3.34Å; A58-I60 PolarHBondContact O-N 2.66Å; I60-S63 PolarHBondContact O-N 2.89Å; I60-Y64 VanDerWaalsContact O-CB 3.24Å; I60-Y64 WeakPolarHBondContact O-CB 3.48Å; I60-Y64 PolarHBondContact O-N 2.92Å
61V75.6Confident74.6Confident63 Ų6380.7 Ų80.738%0.38243%0.426SS..Hα-helixtrans-61.9-45.9177.7169.70000110.8V57 A58 S63 Y64 I65V57-V61 HydrophobicContact CG1-CG2 4.28Å; V57-V61 WeakPolarHBondContact O-CB 2.87Å; V57-V61 VanDerWaalsContact O-CG2 3.25Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3Å; A58-V61 PolarHBondContact O-N 3.44Å; V61-S63 PolarHBondContact O-N 3.49Å; V61-Y64 PolarHBondContact O-N 2.85Å; V61-I65 HydrophobicContact CG1-CD1 3.64Å; V61-I65 HydrophobicContact CG1-CG1 4.36Å; V61-I65 WeakPolarHBondContact O-CB 3.41Å; V61-I65 WeakPolarHBondContact O-CG1 3.4Å; V61-I65 PolarHBondContact O-N 3.27Å
62V73.2Confident74.9Confident77 Ų7782.9 Ų82.947%0.46744%0.441SS..Hα-helixtrans-62.3-43.5176.8170.10000111.2A58 I65 G66A58-V62 WeakPolarHBondContact O-CB 2.88Å; A58-V62 VanDerWaalsContact O-CG2 3.26Å; A58-V62 WeakPolarHBondContact O-CG2 3.08Å; A58-V62 PolarHBondContact O-N 2.62Å; V62-I65 PolarHBondContact O-N 2.93Å; V62-G66 PolarHBondContact O-N 3.48Å
63S71.8Confident75Confident38 Ų3889.4 Ų89.427%0.26646%0.461SS..Hα-helixtrans-64.1-42.7177.3-59.90000111.6S59 I60 V61 G66 I67S59-S63 VanDerWaalsContact O-CB 3.3Å; S59-S63 WeakPolarHBondContact O-CB 2.92Å; S59-S63 PolarHBondContact O-N 3.2Å; S59-S63 PolarHBondContact O-OG 3.09Å; I60-S63 PolarHBondContact O-N 2.89Å; V61-S63 PolarHBondContact O-N 3.49Å; S63-G66 PolarHBondContact O-N 3.15Å; S63-I67 WeakPolarHBondContact O-CD1 3.26Å; S63-I67 VanDerWaalsContact O-CG1 3.3Å; S63-I67 WeakPolarHBondContact O-CG1 3.24Å; S63-I67 PolarHBondContact O-N 2.88Å; S63-I67 VanDerWaalsContact O-N 3.13Å
64Y73Confident74.9Confident145 Ų14587.8 Ų87.857%0.56946%0.455SS*.Hα-helixtrans-65.7-43.1177.9-176.2-104.6000112.3I60 V61 G66 I67 L68I60-Y64 VanDerWaalsContact O-CB 3.24Å; I60-Y64 WeakPolarHBondContact O-CB 3.48Å; I60-Y64 PolarHBondContact O-N 2.92Å; V61-Y64 PolarHBondContact O-N 2.85Å; Y64-G66 VanDerWaalsContact C-N 3.29Å; Y64-G66 PolarHBondContact O-N 3.37Å; Y64-I67 PolarHBondContact O-N 2.63Å; Y64-L68 HydrophobicContact CD1-CD1 4.1Å; Y64-L68 HydrophobicContact CE1-CD1 3.45Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.45Å; Y64-L68 HydrophobicContact CE1-CG 4.46Å; Y64-L68 HydrophobicContact CE2-CD1 4.35Å; Y64-L68 PolarHBondContact O-N 3.4Å
65I66.3Low74.7Confident46 Ų4690.1 Ų90.124%0.23646%0.457CS..Hα-helixtrans-62.5-37.1173.1-68166.8000110.8V61 V62 I67 L68 P70V61-I65 HydrophobicContact CG1-CD1 3.64Å; V61-I65 HydrophobicContact CG1-CG1 4.36Å; V61-I65 WeakPolarHBondContact O-CB 3.41Å; V61-I65 WeakPolarHBondContact O-CG1 3.4Å; V61-I65 PolarHBondContact O-N 3.27Å; V62-I65 PolarHBondContact O-N 2.93Å; I65-I67 VanDerWaalsContact C-N 3.31Å; I65-I67 PolarHBondContact O-N 2.8Å; I65-L68 VanDerWaalsContact O-O 3.09Å; I65-P70 HydrophobicContact CG2-CB 4.19Å; I65-P70 WeakPolarHBondContact O-CG 3.46Å
66G65.8Low74.9Confident35 Ų3590.1 Ų90.136%0.36146%0.456SS..Hα-helixtrans-63.6-34.217600000113.6V62 S63 Y64V62-G66 PolarHBondContact O-N 3.48Å; S63-G66 PolarHBondContact O-N 3.15Å; Y64-G66 VanDerWaalsContact C-N 3.29Å; Y64-G66 PolarHBondContact O-N 3.37Å
67I70Confident75Confident118 Ų11889 Ų8961%0.60546%0.459SS*.Hα-helixtrans-75.5-38.9-179.2-68.5163.3000111.6F10 S63 Y64 I65 R69F10-I67 HydrophobicContact CE1-CG1 4.24Å; S63-I67 WeakPolarHBondContact O-CD1 3.26Å; S63-I67 VanDerWaalsContact O-CG1 3.3Å; S63-I67 WeakPolarHBondContact O-CG1 3.24Å; S63-I67 PolarHBondContact O-N 2.88Å; S63-I67 VanDerWaalsContact O-N 3.13Å; Y64-I67 PolarHBondContact O-N 2.63Å; I65-I67 VanDerWaalsContact C-N 3.31Å; I65-I67 PolarHBondContact O-N 2.8Å; I67-R69 PolarHBondContact O-N 2.78Å
68L67.7Low74.8Confident95 Ų9586.9 Ų86.950%0.49745%0.45SS..SBendtrans-83.599.6177.8-67.1175.8000109.7Y64 I65 P70Y64-L68 HydrophobicContact CD1-CD1 4.1Å; Y64-L68 HydrophobicContact CE1-CD1 3.45Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.45Å; Y64-L68 HydrophobicContact CE1-CG 4.46Å; Y64-L68 HydrophobicContact CE2-CD1 4.35Å; Y64-L68 PolarHBondContact O-N 3.4Å; I65-L68 VanDerWaalsContact O-O 3.09Å; L68-P70 WeakPolarHBondContact O-CA 3.19Å; L68-P70 WeakPolarHBondContact O-CB 3.24Å; L68-P70 WeakPolarHBondContact O-CD 3.37Å
69R69.8Low75Confident248 Ų24889.9 Ų89.994%0.93647%0.466SS*.  trans-24.889177.2-76.8-167.5178.2164.11.7112.3I67 S71I67-R69 PolarHBondContact O-N 2.78Å; R69-S71 PolarHBondContact O-N 2.82Å
70P61.8Low75.5Confident29 Ų2992.2 Ų92.219%0.18847%0.473CS..  trans-79134-157.916.6-19.3000108.7I65 L68 T74 R75I65-P70 HydrophobicContact CG2-CB 4.19Å; I65-P70 WeakPolarHBondContact O-CG 3.46Å; L68-P70 WeakPolarHBondContact O-CA 3.19Å; L68-P70 WeakPolarHBondContact O-CB 3.24Å; L68-P70 WeakPolarHBondContact O-CD 3.37Å; P70-T74 VanDerWaalsContact C-OG1 3.24Å; P70-T74 WeakPolarHBondContact CA-OG1 3.26Å; P70-T74 WeakPolarHBondContact CB-OG1 3.44Å; P70-R75 HydrophobicContact CB-CG 4.2Å; P70-R75 HydrophobicContact CG-CG 4.07Å
71S77.8Confident75.7Confident67 Ų6790.7 Ų90.747%0.46947%0.465SS..  trans-55.7158.3168.175.80000109.7R69 W73 T74 R75R69-S71 PolarHBondContact O-N 2.82Å; S71-W73 PolarHBondContact O-N 3.23Å; S71-T74 PolarHBondContact N-OG1 3.09Å; S71-T74 PolarHBondContact O-N 2.81Å; S71-T74 PolarHBondContact O-OG1 2.83Å; S71-T74 PolarHBondContact OG-OG1 2.94Å; S71-R75 PolarHBondContact O-N 3.39Å
72L80.2Confident76.1Confident127 Ų12795.4 Ų95.467%0.66548%0.481SS*.Hα-helixtrans-48.7-37.9178.3-178.763.4000111.8R75 I76L72-R75 PolarHBondContact O-N 2.85Å; L72-I76 HydrophobicContact CD1-CD1 4.39Å; L72-I76 HydrophobicContact CG-CD1 3.96Å; L72-I76 WeakPolarHBondContact O-CG1 3.27Å; L72-I76 PolarHBondContact O-N 3.16Å; L72-I76 VanDerWaalsContact O-N 3.08Å
73W80.1Confident76.7Confident198 Ų19897.1 Ų97.175%0.7549%0.486SS*.Hα-helixtrans-64.7-41.8178.8-65.3110.2000114.2S71 R75 I76 A77S71-W73 PolarHBondContact O-N 3.23Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.5Å; W73-I76 HydrophobicContact CE3-CD1 4.39Å; W73-I76 PolarHBondContact O-N 2.9Å; W73-A77 WeakPolarHBondContact O-CB 3.38Å; W73-A77 PolarHBondContact O-N 3.35Å
74T78.6Confident77.4Confident50 Ų50101.6 Ų101.631%0.30750%0.501SS..Hα-helixtrans-66.3-31.9176.936.80000112.8P70 S71 A78P70-T74 VanDerWaalsContact C-OG1 3.24Å; P70-T74 WeakPolarHBondContact CA-OG1 3.26Å; P70-T74 WeakPolarHBondContact CB-OG1 3.44Å; S71-T74 PolarHBondContact N-OG1 3.09Å; S71-T74 PolarHBondContact O-N 2.81Å; S71-T74 PolarHBondContact O-OG1 2.83Å; S71-T74 PolarHBondContact OG-OG1 2.94Å; T74-A78 WeakPolarHBondContact O-CB 3.36Å; T74-A78 PolarHBondContact O-N 2.73Å
75R78.7Confident77.9Confident153 Ų15397.6 Ų97.658%0.57749%0.489SS*.Hα-helixtrans-70-43.8173.1-61.3-178.6-172.7-167.8-2.4111.5P70 S71 L72 W73 A77 A78 V79P70-R75 HydrophobicContact CB-CG 4.2Å; P70-R75 HydrophobicContact CG-CG 4.07Å; S71-R75 PolarHBondContact O-N 3.39Å; L72-R75 PolarHBondContact O-N 2.85Å; W73-R75 VanDerWaalsContact C-N 3.31Å; W73-R75 PolarHBondContact O-N 3.5Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.36Å; R75-A78 PolarHBondContact O-N 2.81Å; R75-V79 WeakPolarHBondContact O-CG2 3.43Å; R75-V79 PolarHBondContact O-N 2.96Å
76I84Confident78.7Confident69 Ų6997.3 Ų97.335%0.35450%0.498SS..Hα-helixtrans-59.5-46.4175.3-68.5167.5000110L72 W73 A78 V79 I80L72-I76 HydrophobicContact CD1-CD1 4.39Å; L72-I76 HydrophobicContact CG-CD1 3.96Å; L72-I76 WeakPolarHBondContact O-CG1 3.27Å; L72-I76 PolarHBondContact O-N 3.16Å; L72-I76 VanDerWaalsContact O-N 3.08Å; W73-I76 HydrophobicContact CE3-CD1 4.39Å; W73-I76 PolarHBondContact O-N 2.9Å; I76-A78 PolarHBondContact O-N 3.49Å; I76-V79 PolarHBondContact O-N 3.07Å; I76-I80 HydrophobicContact CG2-CD1 3.69Å; I76-I80 HydrophobicContact CG2-CG1 4.37Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.3Å; I76-I80 PolarHBondContact O-N 3.48Å
77A82.8Confident79.5Confident57 Ų5797.3 Ų97.347%0.47150%0.498SS..Hα-helixtrans-60.7-42.6177.600000112.7W73 R75 I80 L81W73-A77 WeakPolarHBondContact O-CB 3.38Å; W73-A77 PolarHBondContact O-N 3.35Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.36Å; A77-I80 PolarHBondContact O-N 3.12Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 PolarHBondContact O-N 2.89Å
78A78.9Confident80.1Confident30 Ų3094.4 Ų94.425%0.24849%0.485CS..Hα-helixtrans-64.2-40.8176.500000112.5T74 R75 I76 L81 F82T74-A78 WeakPolarHBondContact O-CB 3.36Å; T74-A78 PolarHBondContact O-N 2.73Å; R75-A78 PolarHBondContact O-N 2.81Å; I76-A78 PolarHBondContact O-N 3.49Å; A78-L81 PolarHBondContact O-N 3.06Å; A78-F82 WeakPolarHBondContact O-CB 3.49Å; A78-F82 PolarHBondContact O-N 3.42Å
79V82.8Confident80.5Confident85 Ų8592.6 Ų92.652%0.51548%0.478SS..Hα-helixtrans-65.2-43.9175.71720000110.9R75 I76 L81 F82 I83R75-V79 WeakPolarHBondContact O-CG2 3.43Å; R75-V79 PolarHBondContact O-N 2.96Å; I76-V79 PolarHBondContact O-N 3.07Å; V79-L81 VanDerWaalsContact C-N 3.34Å; V79-L81 PolarHBondContact O-N 3.48Å; V79-F82 PolarHBondContact O-N 3.11Å; V79-I83 HydrophobicContact CG1-CD1 3.81Å; V79-I83 HydrophobicContact CG1-CG1 4.46Å; V79-I83 VanDerWaalsContact O-CG1 3.28Å; V79-I83 WeakPolarHBondContact O-CG1 3.31Å; V79-I83 PolarHBondContact O-N 3.38Å
80I86.2Confident80.9Confident105 Ų10586.2 Ų86.254%0.53846%0.462SS..Hα-helixtrans-60.5-44.8175.7-69.6168.8000110.5I76 A77 I83 F84I76-I80 HydrophobicContact CG2-CD1 3.69Å; I76-I80 HydrophobicContact CG2-CG1 4.37Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.3Å; I76-I80 PolarHBondContact O-N 3.48Å; A77-I80 PolarHBondContact O-N 3.12Å; I80-I83 PolarHBondContact O-N 2.94Å; I80-F84 VanDerWaalsContact O-CB 3.31Å; I80-F84 WeakPolarHBondContact O-CB 3.33Å; I80-F84 PolarHBondContact O-N 3.5Å
81L85.5Confident81.7Confident70 Ų7089.6 Ų89.637%0.36648%0.478SS..Hα-helixtrans-63.8-41.7178.1-178.567.6000111.9A77 A78 V79 F84 L85A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 PolarHBondContact O-N 2.89Å; A78-L81 PolarHBondContact O-N 3.06Å; V79-L81 VanDerWaalsContact C-N 3.34Å; V79-L81 PolarHBondContact O-N 3.48Å; L81-F84 PolarHBondContact O-N 2.97Å; L81-L85 HydrophobicContact CD1-CD1 4.12Å; L81-L85 HydrophobicContact CD1-CG 4.37Å; L81-L85 HydrophobicContact CD2-CD1 4.45Å; L81-L85 HydrophobicContact CG-CD1 3.89Å; L81-L85 WeakPolarHBondContact O-CB 3.35Å; L81-L85 WeakPolarHBondContact O-CG 3.25Å; L81-L85 PolarHBondContact O-N 2.85Å
82F83.4Confident81.5Confident162 Ų16289.4 Ų89.471%0.71148%0.477SS*.Hα-helixtrans-63.8-43.4176-174.4-94.7000111.8A78 V79 F84 G86A78-F82 WeakPolarHBondContact O-CB 3.49Å; A78-F82 PolarHBondContact O-N 3.42Å; V79-F82 PolarHBondContact O-N 3.11Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 2.92Å; F82-G86 PolarHBondContact O-N 3.04Å
83I85.6Confident81.1Confident112 Ų11286.4 Ų86.457%0.57446%0.462SS*.Hα-helixtrans-62.8-39.7174.1-68.3168.7000110.5V79 I80 G87V79-I83 HydrophobicContact CG1-CD1 3.81Å; V79-I83 HydrophobicContact CG1-CG1 4.46Å; V79-I83 VanDerWaalsContact O-CG1 3.28Å; V79-I83 WeakPolarHBondContact O-CG1 3.31Å; V79-I83 PolarHBondContact O-N 3.38Å; I80-I83 PolarHBondContact O-N 2.94Å; I83-G87 WeakPolarHBondContact O-CA 3.46Å; I83-G87 PolarHBondContact O-N 3.45Å
84F86.5Confident80.8Confident132 Ų13280.1 Ų80.158%0.57945%0.445SS*.Hα-helixtrans-67.3-47.3178.3-176.9-96.8000112.3I80 L81 F82 G87 T88I80-F84 VanDerWaalsContact O-CB 3.31Å; I80-F84 WeakPolarHBondContact O-CB 3.33Å; I80-F84 PolarHBondContact O-N 3.5Å; L81-F84 PolarHBondContact O-N 2.97Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 2.92Å; F84-G87 PolarHBondContact O-N 3.45Å; F84-T88 HydrophobicContact CD1-CG2 4.37Å; F84-T88 HydrophobicContact CE1-CG2 4.02Å; F84-T88 HydrophobicContact CE2-CG2 4.23Å; F84-T88 HydrophobicContact CZ-CG2 3.95Å; F84-T88 WeakPolarHBondContact O-CB 3.45Å; F84-T88 VanDerWaalsContact O-CG2 3.29Å; F84-T88 WeakPolarHBondContact O-CG2 3.41Å; F84-T88 PolarHBondContact O-N 2.86Å; F84-T88 PolarHBondContact O-OG1 2.84Å
85L84.6Confident80.3Confident62 Ų6282.6 Ų82.633%0.32546%0.456SS..Hα-helixtrans-64.8-45.5176.7-77.3163.3000111.9A58 L81 T88 T89A58-L85 HydrophobicContact CB-CD1 4.45Å; L81-L85 HydrophobicContact CD1-CD1 4.12Å; L81-L85 HydrophobicContact CD1-CG 4.37Å; L81-L85 HydrophobicContact CD2-CD1 4.45Å; L81-L85 HydrophobicContact CG-CD1 3.89Å; L81-L85 WeakPolarHBondContact O-CB 3.35Å; L81-L85 WeakPolarHBondContact O-CG 3.25Å; L81-L85 PolarHBondContact O-N 2.85Å; L85-T88 WeakPolarHBondContact CA-OG1 3.33Å; L85-T88 PolarHBondContact O-OG1 3Å; L85-T89 WeakPolarHBondContact O-CB 3.43Å; L85-T89 PolarHBondContact O-N 3.32Å; L85-T89 PolarHBondContact O-OG1 2.92Å
86G82.1Confident79.6Confident40 Ų4080.3 Ų80.341%0.41245%0.448SS..Hα-helixtrans-64.1-41.6175.500000111.8F82 T89 L90F82-G86 PolarHBondContact O-N 3.04Å; G86-T89 PolarHBondContact O-N 3.47Å; G86-L90 VanDerWaalsContact O-CB 3.26Å; G86-L90 WeakPolarHBondContact O-CB 3.29Å; G86-L90 PolarHBondContact O-N 3.02Å
87G82.9Confident78.5Confident35 Ų3581.1 Ų81.136%0.36145%0.453SS..Hα-helixtrans-67.2-40.9178.300000113.2I83 F84 L90 L91I83-G87 WeakPolarHBondContact O-CA 3.46Å; I83-G87 PolarHBondContact O-N 3.45Å; F84-G87 PolarHBondContact O-N 3.45Å; G87-L90 PolarHBondContact O-N 3.47Å; G87-L91 WeakPolarHBondContact O-CB 3.36Å; G87-L91 PolarHBondContact O-N 3.1Å
88T81.3Confident77.3Confident57 Ų5783.1 Ų83.135%0.3546%0.459SS..Hα-helixtrans-68.4-39.2175.547.20000112F84 L85 L91 S92F84-T88 HydrophobicContact CD1-CG2 4.37Å; F84-T88 HydrophobicContact CE1-CG2 4.02Å; F84-T88 HydrophobicContact CE2-CG2 4.23Å; F84-T88 HydrophobicContact CZ-CG2 3.95Å; F84-T88 WeakPolarHBondContact O-CB 3.45Å; F84-T88 VanDerWaalsContact O-CG2 3.29Å; F84-T88 WeakPolarHBondContact O-CG2 3.41Å; F84-T88 PolarHBondContact O-N 2.86Å; F84-T88 PolarHBondContact O-OG1 2.84Å; L85-T88 WeakPolarHBondContact CA-OG1 3.33Å; L85-T88 PolarHBondContact O-OG1 3Å; T88-L91 PolarHBondContact O-N 2.86Å; T88-S92 WeakPolarHBondContact O-CB 3.49Å; T88-S92 PolarHBondContact O-N 2.74Å; T88-S92 PolarHBondContact O-OG 2.8Å
89T77.6Confident76.2Confident57 Ų5784.6 Ų84.635%0.3548%0.477SS..Hα-helixtrans-67.2-42.5174-52.90000111.4L85 G86 L91 S92 N93L85-T89 WeakPolarHBondContact O-CB 3.43Å; L85-T89 PolarHBondContact O-N 3.32Å; L85-T89 PolarHBondContact O-OG1 2.92Å; G86-T89 PolarHBondContact O-N 3.47Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-S92 PolarHBondContact O-N 3.48Å; T89-S92 PolarHBondContact O-OG 2.81Å; T89-N93 WeakPolarHBondContact O-CB 3.25Å; T89-N93 PolarHBondContact O-N 2.9Å; T89-N93 PolarHBondContact O-ND2 2.93Å
90L77.9Confident75Confident114 Ų11483.1 Ų83.160%0.59747%0.466SS*.Hα-helixtrans-61.9-45.3174.1-178.865.9000110.2G86 G87 N93 V94G86-L90 VanDerWaalsContact O-CB 3.26Å; G86-L90 WeakPolarHBondContact O-CB 3.29Å; G86-L90 PolarHBondContact O-N 3.02Å; G87-L90 PolarHBondContact O-N 3.47Å; L90-N93 PolarHBondContact O-N 2.87Å; L90-V94 HydrophobicContact CD1-CG2 4.35Å; L90-V94 HydrophobicContact CG-CG2 4.37Å; L90-V94 WeakPolarHBondContact O-CB 3.28Å; L90-V94 VanDerWaalsContact O-CG2 3.24Å; L90-V94 WeakPolarHBondContact O-CG2 3.12Å; L90-V94 PolarHBondContact O-N 3.42Å
91L78.5Confident73.6Confident99 Ų9986.2 Ų86.252%0.51848%0.478SS..Hα-helixtrans-62.5-43.3177.5-178.662.9000111.5G87 T88 T89 N93 V94 L95G87-L91 WeakPolarHBondContact O-CB 3.36Å; G87-L91 PolarHBondContact O-N 3.1Å; T88-L91 PolarHBondContact O-N 2.86Å; T89-L91 VanDerWaalsContact C-N 3.33Å; L91-N93 VanDerWaalsContact C-N 3.34Å; L91-N93 PolarHBondContact O-N 2.91Å; L91-V94 PolarHBondContact O-N 3.22Å; L91-L95 HydrophobicContact CD1-CD1 4.17Å; L91-L95 HydrophobicContact CD1-CG 4.04Å; L91-L95 HydrophobicContact CG-CD1 3.9Å; L91-L95 HydrophobicContact CG-CG 4.22Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.37Å; L91-L95 WeakPolarHBondContact O-CG 3.1Å; L91-L95 PolarHBondContact O-N 3.02Å
92S72.6Confident72.6Confident64 Ų6487 Ų8745%0.44848%0.482SS..Hα-helixtrans-64.2-39.8177.369.20000111.7T88 T89 L95 Y96T88-S92 WeakPolarHBondContact O-CB 3.49Å; T88-S92 PolarHBondContact O-N 2.74Å; T88-S92 PolarHBondContact O-OG 2.8Å; T89-S92 PolarHBondContact O-N 3.48Å; T89-S92 PolarHBondContact O-OG 2.81Å; S92-L95 PolarHBondContact O-N 2.78Å; S92-Y96 WeakPolarHBondContact O-CB 3.5Å; S92-Y96 PolarHBondContact O-N 3.44Å
93N72.5Confident72.2Confident64 Ų6481 Ų8134%0.34246%0.46SS..Hα-helixtrans-67.3-42.8174.5-80.2-74.4000111.7T89 L90 L91 Y96 L97T89-N93 WeakPolarHBondContact O-CB 3.25Å; T89-N93 PolarHBondContact O-N 2.9Å; T89-N93 PolarHBondContact O-ND2 2.93Å; L90-N93 PolarHBondContact O-N 2.87Å; L91-N93 VanDerWaalsContact C-N 3.34Å; L91-N93 PolarHBondContact O-N 2.91Å; N93-Y96 PolarHBondContact O-N 3.39Å; N93-L97 VanDerWaalsContact O-CB 3.25Å; N93-L97 WeakPolarHBondContact O-CB 3.4Å; N93-L97 WeakPolarHBondContact O-CD1 3.34Å; N93-L97 WeakPolarHBondContact O-CG 2.96Å; N93-L97 PolarHBondContact O-N 3.09Å
94V73.3Confident72.4Confident66 Ų6679.7 Ų79.740%0.445%0.454SS..Hα-helixtrans-61.7-47.7174.7170.20000109.7L90 L91 Y96 L97 T98L90-V94 HydrophobicContact CD1-CG2 4.35Å; L90-V94 HydrophobicContact CG-CG2 4.37Å; L90-V94 WeakPolarHBondContact O-CB 3.28Å; L90-V94 VanDerWaalsContact O-CG2 3.24Å; L90-V94 WeakPolarHBondContact O-CG2 3.12Å; L90-V94 PolarHBondContact O-N 3.42Å; L91-V94 PolarHBondContact O-N 3.22Å; V94-Y96 PolarHBondContact O-N 2.82Å; V94-L97 CarbonylContact O-C 3.49Å; V94-L97 PolarHBondContact O-N 3.26Å; V94-T98 HydrophobicContact CG1-CG2 4.06Å; V94-T98 WeakPolarHBondContact O-CB 3.48Å; V94-T98 VanDerWaalsContact O-CG2 3.26Å; V94-T98 WeakPolarHBondContact O-CG2 3.38Å; V94-T98 PolarHBondContact O-N 2.51Å; V94-T98 PolarHBondContact O-OG1 3.32Å
95L68.6Low72.7Confident102 Ų10273.5 Ų73.553%0.53443%0.427SS..Hα-helixtrans-61.5-42.1177.4-73.1174.4000112.2L91 S92 T98 G99L91-L95 HydrophobicContact CD1-CD1 4.17Å; L91-L95 HydrophobicContact CD1-CG 4.04Å; L91-L95 HydrophobicContact CG-CD1 3.9Å; L91-L95 HydrophobicContact CG-CG 4.22Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.37Å; L91-L95 WeakPolarHBondContact O-CG 3.1Å; L91-L95 PolarHBondContact O-N 3.02Å; S92-L95 PolarHBondContact O-N 2.78Å; L95-T98 WeakPolarHBondContact CA-OG1 3.44Å; L95-T98 PolarHBondContact O-OG1 2.88Å; L95-G99 WeakPolarHBondContact O-CA 3.43Å; L95-G99 PolarHBondContact O-N 3.21Å
96Y64.1Low73.3Confident104 Ų10472.5 Ų72.541%0.40842%0.422SS..Hα-helixtrans-60.9-48.4173.8-179.8-94.7000110.8S92 N93 V94 G99 L100 Y317S92-Y96 WeakPolarHBondContact O-CB 3.5Å; S92-Y96 PolarHBondContact O-N 3.44Å; N93-Y96 PolarHBondContact O-N 3.39Å; V94-Y96 PolarHBondContact O-N 2.82Å; Y96-G99 PolarHBondContact O-N 3.17Å; Y96-L100 HydrophobicContact CE1-CD1 4.22Å; Y96-L100 PolarHBondContact O-N 3.39Å; Y96-Y317 HydrophobicContact CE1-CE2 4.32Å
97L60.4Low74.1Confident87 Ų8771.1 Ų71.146%0.45541%0.405SS..Hα-helixtrans-66.5-36.6178.9-72.3169.6000113N93 V94 Y317N93-L97 VanDerWaalsContact O-CB 3.25Å; N93-L97 WeakPolarHBondContact O-CB 3.4Å; N93-L97 WeakPolarHBondContact O-CD1 3.34Å; N93-L97 WeakPolarHBondContact O-CG 2.96Å; N93-L97 PolarHBondContact O-N 3.09Å; V94-L97 CarbonylContact O-C 3.49Å; V94-L97 PolarHBondContact O-N 3.26Å; L97-Y317 HydrophobicContact CD2-CD2 3.52Å; L97-Y317 HydrophobicContact CD2-CE2 3.48Å; L97-Y317 VanDerWaalsContact CD2-CE2 3.48Å
98T58Low74.8Confident99 Ų9969.4 Ų69.461%0.60739%0.388SS*.Hα-helixtrans-81.9-20.1177.357.90000112.7V94 L95V94-T98 HydrophobicContact CG1-CG2 4.06Å; V94-T98 WeakPolarHBondContact O-CB 3.48Å; V94-T98 VanDerWaalsContact O-CG2 3.26Å; V94-T98 WeakPolarHBondContact O-CG2 3.38Å; V94-T98 PolarHBondContact O-N 2.51Å; V94-T98 PolarHBondContact O-OG1 3.32Å; L95-T98 WeakPolarHBondContact CA-OG1 3.44Å; L95-T98 PolarHBondContact O-OG1 2.88Å
99G56.1Low75.6Confident60 Ų6066.7 Ų66.762%0.61937%0.371SS*.Hα-helixtrans-84.3-15.4177.800000113.3L95 Y96 E101L95-G99 WeakPolarHBondContact O-CA 3.43Å; L95-G99 PolarHBondContact O-N 3.21Å; Y96-G99 PolarHBondContact O-N 3.17Å; G99-E101 VanDerWaalsContact C-N 3.31Å; G99-E101 PolarHBondContact O-N 2.93Å
100L57.4Low76.5Confident54 Ų5464.3 Ų64.328%0.28336%0.356SS..SBendtrans-73.490.3162.7-65176.7000107.6Y96 D102Y96-L100 HydrophobicContact CE1-CD1 4.22Å; Y96-L100 PolarHBondContact O-N 3.39Å; L100-D102 PolarHBondContact O-N 3.3Å
101E57Low77.3Confident170 Ų17060.7 Ų60.779%0.79433%0.334SS*.  trans-65.2107.7165.9-167160.1-165.200107.1G99 S103G99-E101 VanDerWaalsContact C-N 3.31Å; G99-E101 PolarHBondContact O-N 2.93Å; E101-S103 PolarHBondContact O-N 3.18Å
102D64.4Low78.1Confident86 Ų8656 Ų5646%0.4631%0.311SS..  trans-65.5103173.7-79.5-38.1000107.8L100 Y304 R320L100-D102 PolarHBondContact O-N 3.3Å; D102-Y304 PolarHBondContact OD1-OH 3.41Å; D102-R320 IonicContact OD1-CZ 2.74Å; D102-R320 VanDerWaalsContact OD1-CZ 3.28Å; D102-R320 IonicContact OD1-NH1 3.44Å; D102-R320 PolarHBondContact OD1-NH1 2.91Å; D102-R320 IonicContact OD1-NH2 3.48Å; D102-R320 PolarHBondContact OD1-NH2 3.48Å
103S75.8Confident79.1Confident36 Ų3653.3 Ų53.325%0.25229%0.291SS..PPolyproline II helixtrans-89.6122.5173.662.10000108.9E101 N285E101-S103 PolarHBondContact O-N 3.18Å; S103-N285 PolarHBondContact N-OD1 3.49Å; S103-N285 PolarHBondContact O-OD1 3.26Å; S103-N285 PolarHBondContact OG-OD1 2.87Å
104I88.1Confident80.3Confident86 Ų8650.8 Ų50.844%0.44128%0.278SS..PPolyproline II helixtrans-62.1124.7166.6-65.5147.9000107.4I301 E305I104-I301 HydrophobicContact CG2-CG2 3.57Å; I104-E305 VanDerWaalsContact CD1-CD 3.43Å; I104-E305 HydrophobicContact CD1-CG 3.79Å; I104-E305 WeakPolarHBondContact CD1-OE1 3.49Å; I104-E305 HydrophobicContact CG1-CG 3.77Å; I104-E305 WeakPolarHBondContact CG1-OE1 3.45Å; I104-E305 VanDerWaalsContact CG2-OE1 3.31Å; I104-E305 WeakPolarHBondContact CG2-OE1 3.26Å
105P94.4Very high81.2Confident2 Ų253.1 Ų53.11%0.01329%0.288CS..PPolyproline II helixtrans-64.5140.8176.623-29.4000110T107 V282 V286 I289 I301P105-T107 PolarHBondContact O-N 2.93Å; P105-V282 HydrophobicContact CG-CG2 3.92Å; P105-V286 HydrophobicContact CB-CG2 4.26Å; P105-V286 WeakPolarHBondContact CB-O 3.09Å; P105-I289 HydrophobicContact CB-CD1 3.99Å; P105-I289 HydrophobicContact CB-CG1 4.02Å; P105-I289 HydrophobicContact CG-CD1 3.79Å; P105-I289 HydrophobicContact CG-CG1 4.38Å; P105-I301 HydrophobicContact CG-CD1 3.94Å; P105-I301 HydrophobicContact CG-CG1 4.12Å
106L96.4Very high82.2Confident41 Ų4151.6 Ų51.622%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-61.6133.2169.9-63.7166.9000110I108 D135 Y136 N287 G288 I289L106-I108 HydrophobicContact CB-CG1 4.45Å; L106-D135 WeakPolarHBondContact CA-OD2 3.46Å; L106-D135 HydrophobicContact CB-CB 4.13Å; L106-D135 HydrophobicContact CD2-CB 3.82Å; L106-Y136 HydrophobicContact CD1-CD2 4.4Å; L106-Y136 HydrophobicContact CD1-CE2 3.94Å; L106-Y136 HydrophobicContact CD2-CE2 4.44Å; L106-N287 WeakPolarHBondContact CB-O 3.1Å; L106-N287 WeakPolarHBondContact CG-O 3.47Å; L106-N287 PolarHBondContact N-O 3.41Å; L106-G288 CarbonylContact O-C 3.57Å; L106-G288 WeakPolarHBondContact O-CA 3.45Å; L106-I289 PolarHBondContact O-N 2.89Å
107T97.8Very high83.5Confident10 Ų1049.6 Ų49.66%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-84.3121.9176550000110.2P105 P134 D135 Y136 L297 Q298 I301P105-T107 PolarHBondContact O-N 2.93Å; T107-P134 WeakPolarHBondContact OG1-CA 3.4Å; T107-D135 PolarHBondContact N-OD2 3.4Å; T107-D135 WeakPolarHBondContact O-CB 3.23Å; T107-D135 PolarHBondContact O-N 3.27Å; T107-D135 PolarHBondContact OG1-N 3.46Å; T107-D135 VanDerWaalsContact OG1-N 3.13Å; T107-D135 PolarHBondContact OG1-OD2 3.46Å; T107-Y136 PolarHBondContact O-N 3.04Å; T107-Y136 VanDerWaalsContact O-N 3.12Å; T107-L297 HydrophobicContact CG2-CD2 4.09Å; T107-L297 HydrophobicContact CG2-CG 4.27Å; T107-Q298 HydrophobicContact CG2-CG 4.08Å; T107-I301 HydrophobicContact CG2-CD1 3.41Å; T107-I301 VanDerWaalsContact CG2-CD1 3.41Å
108I98.1Very high85Confident0 Ų047.1 Ų47.10%029%0.289CS..EExtended strand (participates in β ladder)trans-128.4112.5-174.5-46.2178.2000109.6L106 H110 Y136 E138 L183 Y268 I289 V290 T291L106-I108 HydrophobicContact CB-CG1 4.45Å; I108-H110 PolarHBondContact O-N 3.48Å; I108-Y136 VanDerWaalsContact CA-O 3.3Å; I108-Y136 WeakPolarHBondContact CA-O 3.42Å; I108-E138 HydrophobicContact CG2-CB 3.87Å; I108-L183 HydrophobicContact CD1-CD2 4.23Å; I108-L183 HydrophobicContact CG2-CB 4.5Å; I108-L183 HydrophobicContact CG2-CD2 4.25Å; I108-Y268 HydrophobicContact CD1-CD1 3.44Å; I108-Y268 VanDerWaalsContact CD1-CD1 3.44Å; I108-Y268 HydrophobicContact CD1-CE1 3.5Å; I108-Y268 VanDerWaalsContact CD1-CE1 3.5Å; I108-I289 WeakPolarHBondContact CB-O 3.46Å; I108-I289 PolarHBondContact N-O 3.46Å; I108-V290 HydrophobicContact CB-CB 4.47Å; I108-V290 HydrophobicContact CB-CG2 3.96Å; I108-V290 HydrophobicContact CD1-CG2 4.01Å; I108-V290 HydrophobicContact CG2-CG1 4.49Å; I108-V290 HydrophobicContact CG2-CG2 3.97Å; I108-V290 WeakPolarHBondContact O-CA 3.24Å; I108-T291 PolarHBondContact O-N 2.97Å
109S97.8Very high86.5Confident0 Ų047.1 Ų47.10%029%0.288CS..EExtended strand (participates in β ladder)trans-75.4122.4173.2160.50000109.9R111 G112 V113 Y136 E138S109-R111 PolarHBondContact O-N 3.14Å; S109-G112 VanDerWaalsContact OG-CA 3.3Å; S109-G112 WeakPolarHBondContact OG-CA 3.3Å; S109-V113 PolarHBondContact OG-N 3.18Å; S109-V113 VanDerWaalsContact OG-N 3.12Å; S109-V113 PolarHBondContact OG-O 3.19Å; S109-Y136 PolarHBondContact N-O 3.48Å; S109-Y136 VanDerWaalsContact N-O 3.1Å; S109-E138 WeakPolarHBondContact O-CB 3.28Å; S109-E138 PolarHBondContact O-N 3.38Å
110H96.8Very high88.1Confident6 Ų648 Ų483%0.02828%0.277CS..G310 helixtrans-68.3122.2175.9-175.3-146.3000109.5I108 G112 V113 E138 W270 T271 V290 T291 D292I108-H110 PolarHBondContact O-N 3.48Å; H110-G112 PolarHBondContact O-N 3.43Å; H110-V113 VanDerWaalsContact O-CG2 3.3Å; H110-V113 WeakPolarHBondContact O-CG2 3.36Å; H110-V113 PolarHBondContact O-N 3.47Å; H110-E138 IonicContact CD2-OE2 2.86Å; H110-E138 PolarHBondContact CD2-OE2 3.46Å; H110-W270 AromaticContact CD2-CH2 3.81Å; H110-W270 AromaticContact CD2-CZ2 3.46Å; H110-W270 VanDerWaalsContact CD2-CZ2 3.46Å; H110-W270 WeakPolarHBondContact CD2-CZ2 3.47Å; H110-W270 AromaticContact NE2-CE2 4Å; H110-W270 AromaticContact NE2-CZ2 3.29Å; H110-W270 VanDerWaalsContact NE2-CZ2 3.29Å; H110-W270 WeakPolarHBondContact NE2-CZ2 3.43Å; H110-T271 HydrophobicContact CB-CG2 4.39Å; H110-V290 HydrophobicContact CB-CG1 3.78Å; H110-T291 VanDerWaalsContact CB-O 3.28Å; H110-T291 WeakPolarHBondContact CB-O 3.36Å; H110-T291 PolarHBondContact N-O 3.3Å; H110-D292 WeakPolarHBondContact CB-OD1 2.97Å; H110-D292 IonicContact CE1-OD1 3.24Å; H110-D292 IonicContact CG-OD1 3.65Å; H110-D292 IonicContact ND1-OD1 4Å; H110-D292 PolarHBondContact ND1-OD1 2.87Å; H110-D292 IonicContact ND1-OD2 3.7Å; H110-D292 PolarHBondContact ND1-OD2 3.43Å
111R94.8Very high89.7Confident38 Ų3846.6 Ų46.614%0.14327%0.269CS..G310 helixtrans52.823.6178.5-52.9171.8-163.6176.87.1115.2S109 V113 Q120 N121 E138 D140 H153S109-R111 PolarHBondContact O-N 3.14Å; R111-V113 PolarHBondContact O-N 2.9Å; R111-Q120 HydrophobicContact CB-CB 3.82Å; R111-Q120 HydrophobicContact CB-CG 4.04Å; R111-N121 PolarHBondContact O-N 3.21Å; R111-E138 CarbonylContact C-O 3.47Å; R111-E138 WeakPolarHBondContact CA-O 3.33Å; R111-E138 WeakPolarHBondContact CG-OE2 3.49Å; R111-E138 PolarHBondContact N-O 3.03Å; R111-E138 VanDerWaalsContact N-O 3.1Å; R111-E138 PolarHBondContact N-OE2 2.89Å; R111-D140 IonicContact NE-OD2 3.92Å; R111-H153 PolarHBondContact NE-CD2 3.06Å; R111-H153 PolarHBondContact NH2-CD2 3.46Å; R111-H153 PolarHBondContact NH2-NE2 3.45Å
112G94.9Very high91.2Very high2 Ų240.6 Ų40.62%0.02124%0.244CC..G310 helixtrans66.429.4177.900000115.4S109 H110 A125 M126 T129 E138S109-G112 VanDerWaalsContact OG-CA 3.3Å; S109-G112 WeakPolarHBondContact OG-CA 3.3Å; H110-G112 PolarHBondContact O-N 3.43Å; G112-A125 CarbonylContact O-C 3.58Å; G112-A125 WeakPolarHBondContact O-CB 3.5Å; G112-M126 PolarHBondContact O-N 3.09Å; G112-T129 PolarHBondContact O-OG1 2.68Å; G112-E138 PolarHBondContact N-O 3.47Å
113V95.5Very high92.3Very high6 Ų638.9 Ų38.94%0.03624%0.235CC..  trans-113.2161171.4-66.10000111.6S109 H110 R111 N117 Q120 A125S109-V113 PolarHBondContact OG-N 3.18Å; S109-V113 VanDerWaalsContact OG-N 3.12Å; S109-V113 PolarHBondContact OG-O 3.19Å; H110-V113 VanDerWaalsContact O-CG2 3.3Å; H110-V113 WeakPolarHBondContact O-CG2 3.36Å; H110-V113 PolarHBondContact O-N 3.47Å; R111-V113 PolarHBondContact O-N 2.9Å; V113-N117 WeakPolarHBondContact CA-OD1 3.37Å; V113-Q120 HydrophobicContact CB-CG 4.45Å; V113-Q120 HydrophobicContact CG1-CB 4.27Å; V113-Q120 HydrophobicContact CG1-CG 3.72Å; V113-Q120 HydrophobicContact CG2-CG 3.84Å; V113-A125 HydrophobicContact CG1-CB 3.98Å
114D96.5Very high93.1Very high11 Ų1141.9 Ų41.96%0.05925%0.253CS..SBendtrans-136.8122.3165.3175.351.1000108.5G116 N117 E132 D292 D293 L294 Q295D114-G116 VanDerWaalsContact C-N 3.25Å; D114-G116 PolarHBondContact O-N 2.92Å; D114-N117 PolarHBondContact N-ND2 3.48Å; D114-N117 PolarHBondContact N-OD1 2.79Å; D114-N117 WeakPolarHBondContact O-CB 3.49Å; D114-N117 PolarHBondContact O-N 3.44Å; D114-N117 PolarHBondContact O-OD1 3.32Å; D114-E132 WeakPolarHBondContact CB-OE2 3.22Å; D114-E132 VanDerWaalsContact CG-OE2 3.22Å; D114-D292 CarbonylContact C-O 3.54Å; D114-D292 WeakPolarHBondContact CA-O 3.14Å; D114-D293 WeakPolarHBondContact OD1-CA 3.49Å; D114-L294 HydrophobicContact CB-CB 4.16Å; D114-L294 WeakPolarHBondContact OD1-CA 3.42Å; D114-L294 WeakPolarHBondContact OD1-CB 3.42Å; D114-L294 PolarHBondContact OD1-N 3.23Å; D114-Q295 PolarHBondContact OD1-N 3.13Å
115N91.8Very high93.3Very high116 Ų11637.9 Ų37.962%0.6223%0.233SC*.THydrogen-bonded Turntrans41.644.7173.5-159.55.3000115.3N117 D292N115-N117 PolarHBondContact O-N 2.9Å; N115-D292 PolarHBondContact N-O 3.02Å
116G89.4Confident93.3Very high70 Ų7038.1 Ų38.172%0.72223%0.234SC*.THydrogen-bonded Turntrans74.119.417900000115.5D114 G118D114-G116 VanDerWaalsContact C-N 3.25Å; D114-G116 PolarHBondContact O-N 2.92Å; G116-G118 PolarHBondContact O-N 3.49Å; G116-G118 VanDerWaalsContact O-N 3.07Å
117N92.5Very high93.2Very high61 Ų6137.8 Ų37.833%0.32624%0.237SC..SBendtrans-63.5-8.3177.671.3-5.9000114.7V113 D114 N115 T129V113-N117 WeakPolarHBondContact CA-OD1 3.37Å; D114-N117 PolarHBondContact N-ND2 3.48Å; D114-N117 PolarHBondContact N-OD1 2.79Å; D114-N117 WeakPolarHBondContact O-CB 3.49Å; D114-N117 PolarHBondContact O-N 3.44Å; D114-N117 PolarHBondContact O-OD1 3.32Å; N115-N117 PolarHBondContact O-N 2.9Å; N117-T129 PolarHBondContact ND2-OG1 3.43Å
118G91Very high93.2Very high36 Ų3638.7 Ų38.737%0.37125%0.246SC..SBendtrans-179.7-170.7-178.600000114G116G116-G118 PolarHBondContact O-N 3.49Å; G116-G118 VanDerWaalsContact O-N 3.07Å
119V90Very high93.1Very high98 Ų9838.7 Ų38.759%0.59425%0.246SC*.  trans-86.6125.6175.8-177.60000108.7T122 A125V119-T122 HydrophobicContact CB-CG2 3.84Å; V119-T122 HydrophobicContact CG1-CG2 3.78Å; V119-T122 WeakPolarHBondContact O-CB 3.36Å; V119-T122 WeakPolarHBondContact O-CG2 3.44Å; V119-T122 PolarHBondContact O-N 2.92Å; V119-T122 PolarHBondContact O-OG1 2.67Å; V119-A125 WeakPolarHBondContact O-CB 3.19Å
120Q90.7Very high93.1Very high79 Ų7939.9 Ų39.937%0.36925%0.252SS..THydrogen-bonded Turntrans-50.2145.6175.7-68.9179.2-1.700112.4R111 V113 T122R111-Q120 HydrophobicContact CB-CB 3.82Å; R111-Q120 HydrophobicContact CB-CG 4.04Å; V113-Q120 HydrophobicContact CB-CG 4.45Å; V113-Q120 HydrophobicContact CG1-CB 4.27Å; V113-Q120 HydrophobicContact CG1-CG 3.72Å; V113-Q120 HydrophobicContact CG2-CG 3.84Å; Q120-T122 VanDerWaalsContact C-N 3.27Å; Q120-T122 PolarHBondContact O-N 3.47Å
121N89.9Confident93.1Very high25 Ų2547.7 Ų47.713%0.13429%0.286CS..THydrogen-bonded Turntrans57.935.6177.5-77.5-41.5000113.6R111 D140 V151R111-N121 PolarHBondContact O-N 3.21Å; N121-D140 PolarHBondContact ND2-OD2 3.1Å; N121-V151 HydrophobicContact CB-CG1 3.53Å; N121-V151 VanDerWaalsContact CG-CG1 3.45Å; N121-V151 VanDerWaalsContact OD1-CG1 3.26Å; N121-V151 WeakPolarHBondContact OD1-CG1 3.11Å
122T88.6Confident93.2Very high43 Ų4348.4 Ų48.426%0.26429%0.291SS..  trans-125.8148.5175.873.10000112.8V119 Q120 A125 M126V119-T122 HydrophobicContact CB-CG2 3.84Å; V119-T122 HydrophobicContact CG1-CG2 3.78Å; V119-T122 WeakPolarHBondContact O-CB 3.36Å; V119-T122 WeakPolarHBondContact O-CG2 3.44Å; V119-T122 PolarHBondContact O-N 2.92Å; V119-T122 PolarHBondContact O-OG1 2.67Å; Q120-T122 VanDerWaalsContact C-N 3.27Å; Q120-T122 PolarHBondContact O-N 3.47Å; T122-A125 PolarHBondContact O-N 3.41Å; T122-A125 PolarHBondContact OG1-N 2.9Å; T122-M126 WeakPolarHBondContact O-CB 3.3Å; T122-M126 PolarHBondContact O-N 3.43Å
123I88.2Confident93.3Very high51 Ų5156.4 Ų56.426%0.26233%0.325SS..Hα-helixtrans-58.1-42.6176.4-69.6161000112.4A125 M126 A127 L170 F174I123-A125 PolarHBondContact O-N 3.24Å; I123-M126 PolarHBondContact O-N 2.82Å; I123-A127 VanDerWaalsContact O-CB 3.22Å; I123-A127 WeakPolarHBondContact O-CB 3.45Å; I123-A127 PolarHBondContact O-N 2.95Å; I123-L170 HydrophobicContact CD1-CB 3.7Å; I123-F174 HydrophobicContact CG1-CB 4.45Å; I123-F174 HydrophobicContact CG1-CG 4.48Å; I123-F174 HydrophobicContact CG2-CD1 4.08Å; I123-F174 HydrophobicContact CG2-CD2 3.77Å; I123-F174 HydrophobicContact CG2-CE1 4.14Å; I123-F174 HydrophobicContact CG2-CE2 3.84Å; I123-F174 HydrophobicContact CG2-CG 3.9Å; I123-F174 HydrophobicContact CG2-CZ 4.04Å
124P91.4Very high93.4Very high99 Ų9956.4 Ų56.464%0.64333%0.325SS*.Hα-helixtrans-60.6-40.3177.4-27.237.1000114.2A128P124-A128 PolarHBondContact O-N 3.45Å
125A93.7Very high93.5Very high2 Ų259 Ų592%0.01734%0.339CS..Hα-helixtrans-66.4-48.8175.500000110.8G112 V113 V119 T122 I123 A127 A128 T129G112-A125 CarbonylContact O-C 3.58Å; G112-A125 WeakPolarHBondContact O-CB 3.5Å; V113-A125 HydrophobicContact CG1-CB 3.98Å; V119-A125 WeakPolarHBondContact O-CB 3.19Å; T122-A125 PolarHBondContact O-N 3.41Å; T122-A125 PolarHBondContact OG1-N 2.9Å; I123-A125 PolarHBondContact O-N 3.24Å; A125-A127 VanDerWaalsContact C-N 3.29Å; A125-A127 PolarHBondContact O-N 2.8Å; A125-A128 WeakPolarHBondContact O-CA 3.4Å; A125-A128 WeakPolarHBondContact O-CB 3.33Å; A125-A128 PolarHBondContact O-N 3.12Å; A125-T129 PolarHBondContact O-N 3.33Å; A125-T129 PolarHBondContact O-OG1 3.3Å
126M94.2Very high93.8Very high7 Ų754 Ų543%0.03431%0.311CS..Hα-helixtrans-55.7-42.9175.2179.4178.3-73.300112.2G112 T122 I123 A128 T129 I130 I137 T171 F174 A175 L182G112-M126 PolarHBondContact O-N 3.09Å; T122-M126 WeakPolarHBondContact O-CB 3.3Å; T122-M126 PolarHBondContact O-N 3.43Å; I123-M126 PolarHBondContact O-N 2.82Å; M126-A128 VanDerWaalsContact C-N 3.26Å; M126-A128 PolarHBondContact O-N 3.29Å; M126-T129 PolarHBondContact O-N 3.36Å; M126-I130 HydrophobicContact CG-CD1 3.75Å; M126-I130 HydrophobicContact CG-CG1 4.17Å; M126-I130 WeakPolarHBondContact O-CB 3.28Å; M126-I130 WeakPolarHBondContact O-CG1 3.47Å; M126-I130 PolarHBondContact O-N 2.78Å; M126-I130 HydrophobicContact SD-CD1 4.48Å; M126-I137 HydrophobicContact CE-CG2 3.86Å; M126-I137 HydrophobicContact CG-CD1 3.77Å; M126-T171 HydrophobicContact CE-CG2 3.42Å; M126-T171 VanDerWaalsContact CE-CG2 3.42Å; M126-T171 HydrophobicContact SD-CG2 4.01Å; M126-F174 HydrophobicContact CG-CD1 4.29Å; M126-F174 HydrophobicContact CG-CE1 4.22Å; M126-F174 HydrophobicContact SD-CD1 3.85Å; M126-F174 HydrophobicContact SD-CE1 4.37Å; M126-A175 HydrophobicContact SD-CB 4.26Å; M126-L182 HydrophobicContact CE-CD2 3.88Å
127A94.8Very high94.2Very high33 Ų3350.6 Ų50.627%0.27328%0.277SS..Hα-helixtrans-65.5-28177.900000113.2I123 A125 K131 F174I123-A127 VanDerWaalsContact O-CB 3.22Å; I123-A127 WeakPolarHBondContact O-CB 3.45Å; I123-A127 PolarHBondContact O-N 2.95Å; A125-A127 VanDerWaalsContact C-N 3.29Å; A125-A127 PolarHBondContact O-N 2.8Å; A127-K131 WeakPolarHBondContact O-CE 3.2Å; A127-F174 HydrophobicContact CB-CE1 4.02Å; A127-F174 HydrophobicContact CB-CZ 3.58Å
128A96.2Very high94.3Very high30 Ų3047.7 Ų47.725%0.24826%0.261CS..Hα-helixtrans-73.5-53.4171.100000110P124 A125 M126 I130 K131P124-A128 PolarHBondContact O-N 3.45Å; A125-A128 WeakPolarHBondContact O-CA 3.4Å; A125-A128 WeakPolarHBondContact O-CB 3.33Å; A125-A128 PolarHBondContact O-N 3.12Å; M126-A128 VanDerWaalsContact C-N 3.26Å; M126-A128 PolarHBondContact O-N 3.29Å; A128-I130 PolarHBondContact O-N 2.74Å; A128-K131 VanDerWaalsContact O-CB 3.3Å; A128-K131 WeakPolarHBondContact O-CB 3.06Å; A128-K131 WeakPolarHBondContact O-CG 3.46Å; A128-K131 PolarHBondContact O-N 3.34Å; A128-K131 VanDerWaalsContact O-N 3.15Å
129T97.4Very high94.5Very high0 Ų046.3 Ų46.30%025%0.245CC..Hα-helixtrans-66.2-32.8-175.1-60.50000113.8G112 N117 A125 M126 K131 E132 P134 I137 L294G112-T129 PolarHBondContact O-OG1 2.68Å; N117-T129 PolarHBondContact ND2-OG1 3.43Å; A125-T129 PolarHBondContact O-N 3.33Å; A125-T129 PolarHBondContact O-OG1 3.3Å; M126-T129 PolarHBondContact O-N 3.36Å; T129-K131 PolarHBondContact O-N 3.47Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 3.01Å; T129-P134 HydrophobicContact CG2-CG 4.16Å; T129-P134 WeakPolarHBondContact O-CD 3.34Å; T129-I137 HydrophobicContact CG2-CD1 4.4Å; T129-L294 HydrophobicContact CG2-CD2 3.75Å
130I97Very high94.6Very high24 Ų2441.6 Ų41.612%0.12322%0.217CC..G310 helixtrans-55.8-28.9174.7-76172000111.9M126 A128 E132 K133 I137 F174 H178 Q180M126-I130 HydrophobicContact CG-CD1 3.75Å; M126-I130 HydrophobicContact CG-CG1 4.17Å; M126-I130 WeakPolarHBondContact O-CB 3.28Å; M126-I130 WeakPolarHBondContact O-CG1 3.47Å; M126-I130 PolarHBondContact O-N 2.78Å; M126-I130 HydrophobicContact SD-CD1 4.48Å; A128-I130 PolarHBondContact O-N 2.74Å; I130-E132 PolarHBondContact O-N 2.96Å; I130-K133 WeakPolarHBondContact O-CA 3.3Å; I130-K133 PolarHBondContact O-N 3.2Å; I130-I137 HydrophobicContact CG1-CD1 3.75Å; I130-F174 HydrophobicContact CD1-CD1 4.46Å; I130-F174 HydrophobicContact CD1-CE1 3.9Å; I130-H178 HydrophobicContact CD1-CB 4.03Å; I130-H178 HydrophobicContact CG2-CB 4.48Å; I130-Q180 HydrophobicContact CD1-CB 3.83Å; I130-Q180 HydrophobicContact CD1-CG 4.04Å; I130-Q180 HydrophobicContact CG1-CB 4.05Å; I130-Q180 HydrophobicContact CG1-CG 3.85Å
131K96.8Very high94.6Very high170 Ų17038.1 Ų38.174%0.73920%0.201SC*.G310 helixtrans-67-26.2179.3-60.4172.9-174.6170.30112.5A127 A128 T129A127-K131 WeakPolarHBondContact O-CE 3.2Å; A128-K131 VanDerWaalsContact O-CB 3.3Å; A128-K131 WeakPolarHBondContact O-CB 3.06Å; A128-K131 WeakPolarHBondContact O-CG 3.46Å; A128-K131 PolarHBondContact O-N 3.34Å; A128-K131 VanDerWaalsContact O-N 3.15Å; T129-K131 PolarHBondContact O-N 3.47Å
132E97.4Very high94.6Very high54 Ų5437.7 Ų37.725%0.25220%0.198SC..G310 helixtrans-80.2-8.3174.5-61.9158.5-131.800111.8D114 T129 I130 L294 Q298D114-E132 WeakPolarHBondContact CB-OE2 3.22Å; D114-E132 VanDerWaalsContact CG-OE2 3.22Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 3.01Å; I130-E132 PolarHBondContact O-N 2.96Å; E132-L294 HydrophobicContact CB-CD2 3.88Å; E132-L294 WeakPolarHBondContact OE2-CD2 3.44Å; E132-Q298 PolarHBondContact O-NE2 3.38Å; E132-Q298 PolarHBondContact O-OE1 3.35Å
133K96.8Very high94.7Very high170 Ų17036.3 Ų36.374%0.73919%0.188SC*.  trans58.452.5175-54.2172.7-177.2166.70114.4I130I130-K133 WeakPolarHBondContact O-CA 3.3Å; I130-K133 PolarHBondContact O-N 3.2Å
134P97.7Very high94.6Very high6 Ų635.5 Ų35.54%0.03919%0.186CC..  trans-61.9149.4167.529.4-34.5000110.9T107 T129 Y136 I137 Q180 L294T107-P134 WeakPolarHBondContact OG1-CA 3.4Å; T129-P134 HydrophobicContact CG2-CG 4.16Å; T129-P134 WeakPolarHBondContact O-CD 3.34Å; P134-Y136 VanDerWaalsContact C-N 3.3Å; P134-Y136 WeakPolarHBondContact CB-O 3.29Å; P134-Y136 PolarHBondContact O-N 2.97Å; P134-I137 HydrophobicContact CG-CD1 4.25Å; P134-I137 HydrophobicContact CG-CG1 3.81Å; P134-Q180 PolarHBondContact O-NE2 3.47Å; P134-L294 HydrophobicContact CB-CD1 3.96Å; P134-L294 HydrophobicContact CB-CD2 3.63Å; P134-L294 HydrophobicContact CB-CG 4.48Å; P134-L294 HydrophobicContact CG-CD2 3.86Å
135D97.8Very high94.3Very high64 Ų6440.3 Ų40.334%0.34220%0.196SC..SBendtrans-62.3-41.1174.2-66-73.9000111.8L106 T107L106-D135 WeakPolarHBondContact CA-OD2 3.46Å; L106-D135 HydrophobicContact CB-CB 4.13Å; L106-D135 HydrophobicContact CD2-CB 3.82Å; T107-D135 PolarHBondContact N-OD2 3.4Å; T107-D135 WeakPolarHBondContact O-CB 3.23Å; T107-D135 PolarHBondContact O-N 3.27Å; T107-D135 PolarHBondContact OG1-N 3.46Å; T107-D135 VanDerWaalsContact OG1-N 3.13Å; T107-D135 PolarHBondContact OG1-OD2 3.46Å
136Y98.1Very high93.9Very high11 Ų1145.4 Ų45.44%0.04322%0.223CC..EExtended strand (participates in β ladder)trans-135.9151.5175.8-68.1-98.8000111.5L106 T107 I108 S109 P134 K181 R214L106-Y136 HydrophobicContact CD1-CD2 4.4Å; L106-Y136 HydrophobicContact CD1-CE2 3.94Å; L106-Y136 HydrophobicContact CD2-CE2 4.44Å; T107-Y136 PolarHBondContact O-N 3.04Å; T107-Y136 VanDerWaalsContact O-N 3.12Å; I108-Y136 VanDerWaalsContact CA-O 3.3Å; I108-Y136 WeakPolarHBondContact CA-O 3.42Å; S109-Y136 PolarHBondContact N-O 3.48Å; S109-Y136 VanDerWaalsContact N-O 3.1Å; P134-Y136 VanDerWaalsContact C-N 3.3Å; P134-Y136 WeakPolarHBondContact CB-O 3.29Å; P134-Y136 PolarHBondContact O-N 2.97Å; Y136-K181 WeakPolarHBondContact CA-O 3.5Å; Y136-K181 HydrophobicContact CD1-CB 3.5Å; Y136-K181 HydrophobicContact CE1-CB 3.45Å; Y136-K181 VanDerWaalsContact CE1-CB 3.45Å; Y136-K181 HydrophobicContact CE1-CD 3.94Å; Y136-K181 HydrophobicContact CE1-CG 4.3Å; Y136-K181 HydrophobicContact CE2-CD 4.22Å; Y136-K181 HydrophobicContact CG-CB 4.16Å; Y136-R214 HydrophobicContact CE1-CB 4.32Å; Y136-R214 HydrophobicContact CE1-CG 3.85Å; Y136-R214 VanDerWaalsContact OH-CZ 3.27Å; Y136-R214 PolarHBondContact OH-NE 2.89Å; Y136-R214 PolarHBondContact OH-NH1 3.43Å
137I97.6Very high93.6Very high0 Ų049.8 Ų49.80%024%0.24CC..EExtended strand (participates in β ladder)trans-109.8122.7161.8-68.6-179.7000107.5M126 T129 I130 P134 Q180 K181 L182 L183M126-I137 HydrophobicContact CE-CG2 3.86Å; M126-I137 HydrophobicContact CG-CD1 3.77Å; T129-I137 HydrophobicContact CG2-CD1 4.4Å; I130-I137 HydrophobicContact CG1-CD1 3.75Å; P134-I137 HydrophobicContact CG-CD1 4.25Å; P134-I137 HydrophobicContact CG-CG1 3.81Å; I137-Q180 HydrophobicContact CB-CG 4.45Å; I137-Q180 HydrophobicContact CD1-CG 3.85Å; I137-Q180 HydrophobicContact CG1-CG 4.05Å; I137-K181 PolarHBondContact N-O 3.39Å; I137-L182 HydrophobicContact CB-CD2 4.14Å; I137-L182 HydrophobicContact CG2-CD2 4.44Å; I137-L182 CarbonylContact O-C 3.59Å; I137-L182 VanDerWaalsContact O-CA 3.28Å; I137-L182 WeakPolarHBondContact O-CA 3.41Å; I137-L183 PolarHBondContact O-N 3.25Å
138E96.1Very high93.3Very high0 Ų051.5 Ų51.50%024%0.242CC..EExtended strand (participates in β ladder)trans-76140.3173.1-172.8-72.3137.400109.9I108 S109 H110 R111 G112 L183 E185 W270 V290I108-E138 HydrophobicContact CG2-CB 3.87Å; S109-E138 WeakPolarHBondContact O-CB 3.28Å; S109-E138 PolarHBondContact O-N 3.38Å; H110-E138 IonicContact CD2-OE2 2.86Å; H110-E138 PolarHBondContact CD2-OE2 3.46Å; R111-E138 CarbonylContact C-O 3.47Å; R111-E138 WeakPolarHBondContact CA-O 3.33Å; R111-E138 WeakPolarHBondContact CG-OE2 3.49Å; R111-E138 PolarHBondContact N-O 3.03Å; R111-E138 VanDerWaalsContact N-O 3.1Å; R111-E138 PolarHBondContact N-OE2 2.89Å; G112-E138 PolarHBondContact N-O 3.47Å; E138-L183 CarbonylContact C-O 3.43Å; E138-L183 VanDerWaalsContact CA-O 3.25Å; E138-L183 WeakPolarHBondContact CA-O 3.47Å; E138-L183 HydrophobicContact CB-CB 4.27Å; E138-L183 HydrophobicContact CB-CD2 4.42Å; E138-L183 HydrophobicContact CG-CB 4.44Å; E138-L183 HydrophobicContact CG-CD2 4.16Å; E138-L183 HydrophobicContact CG-CG 4.32Å; E138-E185 WeakPolarHBondContact OE1-CB 3.32Å; E138-W270 VanDerWaalsContact CD-CH2 3.45Å; E138-W270 HydrophobicContact CG-CH2 3.49Å; E138-W270 VanDerWaalsContact CG-CH2 3.49Å; E138-W270 HydrophobicContact CG-CZ3 3.6Å; E138-V290 HydrophobicContact CB-CG1 4.48Å
139M93.3Very high92.8Very high6 Ų650.2 Ų50.23%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-148.4140.9174.458.2171.5-81.900112.1I141 V151 T171 L182 L183 I184 E185M139-I141 HydrophobicContact CE-CG2 3.5Å; M139-I141 VanDerWaalsContact CE-CG2 3.5Å; M139-V151 HydrophobicContact CB-CG1 4.25Å; M139-V151 HydrophobicContact CE-CB 4.36Å; M139-V151 HydrophobicContact CE-CG1 4.06Å; M139-V151 HydrophobicContact CE-CG2 3.5Å; M139-V151 VanDerWaalsContact CE-CG2 3.5Å; M139-T171 HydrophobicContact CE-CG2 4.32Å; M139-T171 HydrophobicContact SD-CG2 3.87Å; M139-L182 HydrophobicContact CG-CD2 4.48Å; M139-L182 HydrophobicContact SD-CD1 3.67Å; M139-L182 HydrophobicContact SD-CD2 4.09Å; M139-L182 HydrophobicContact SD-CG 4.33Å; M139-L183 PolarHBondContact N-O 2.74Å; M139-I184 HydrophobicContact CG-CG1 4.34Å; M139-E185 PolarHBondContact O-N 3.24Å
140D92.4Very high92.2Very high0 Ų051.7 Ų51.70%024%0.24CC..EExtended strand (participates in β ladder)trans-91133179.6-48.8-93000112R111 N121 V151 F152 H153 K187R111-D140 IonicContact NE-OD2 3.92Å; N121-D140 PolarHBondContact ND2-OD2 3.1Å; D140-V151 CarbonylContact O-C 3.36Å; D140-V151 WeakPolarHBondContact O-CA 3.4Å; D140-V151 VanDerWaalsContact O-CG1 3.26Å; D140-V151 WeakPolarHBondContact O-CG1 3.3Å; D140-F152 PolarHBondContact O-N 3.23Å; D140-H153 HydrophobicContact CB-CB 4.39Å; D140-H153 IonicContact OD1-CD2 2.74Å; D140-H153 PolarHBondContact OD1-CD2 2.98Å; D140-H153 WeakPolarHBondContact OD2-CB 3.48Å; D140-H153 IonicContact OD2-CD2 2.66Å; D140-H153 PolarHBondContact OD2-CD2 3.07Å; D140-H153 IonicContact OD2-CG 3.68Å; D140-K187 HydrophobicContact CB-CD 4.17Å; D140-K187 WeakPolarHBondContact OD1-CE 3.43Å; D140-K187 IonicContact OD1-NZ 3.76Å; D140-K187 PolarHBondContact OD1-NZ 3.12Å
141I92.2Very high91.6Very high6 Ų651 Ų513%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-122.4147.3169.869167.5000112.9M139 F149 V150 I184 E185 I186 K187 F200M139-I141 HydrophobicContact CE-CG2 3.5Å; M139-I141 VanDerWaalsContact CE-CG2 3.5Å; I141-F149 HydrophobicContact CD1-CD1 4.02Å; I141-V150 VanDerWaalsContact CA-O 3.22Å; I141-V150 WeakPolarHBondContact CA-O 3.44Å; I141-I184 HydrophobicContact CD1-CG2 3.71Å; I141-I184 HydrophobicContact CG1-CG2 3.88Å; I141-I184 HydrophobicContact CG2-CG2 4.14Å; I141-E185 WeakPolarHBondContact CG1-O 3.5Å; I141-E185 PolarHBondContact N-O 3Å; I141-I186 HydrophobicContact CD1-CG1 4.12Å; I141-I186 HydrophobicContact CG1-CG1 4.17Å; I141-K187 PolarHBondContact O-N 3.13Å; I141-F200 HydrophobicContact CD1-CD2 3.81Å; I141-F200 HydrophobicContact CD1-CE2 3.45Å; I141-F200 VanDerWaalsContact CD1-CE2 3.45Å
142Q89.9Confident90.5Very high15 Ų1544.8 Ų44.87%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-135.7154.9173.6-72.3-179.464.200110.7F149 V150 F152 H153 D154 K187Q142-F149 CarbonylContact O-C 3.35Å; Q142-F149 VanDerWaalsContact O-CA 3.29Å; Q142-F149 WeakPolarHBondContact O-CA 3.32Å; Q142-V150 HydrophobicContact CB-CG2 4.49Å; Q142-V150 PolarHBondContact N-O 2.79Å; Q142-V150 VanDerWaalsContact N-O 3.11Å; Q142-V150 PolarHBondContact O-N 2.9Å; Q142-F152 PolarHBondContact NE2-O 3.46Å; Q142-H153 PolarHBondContact NE2-O 2.85Å; Q142-D154 PolarHBondContact NE2-O 3.25Å; Q142-K187 HydrophobicContact CG-CB 3.59Å
143E90.8Very high89.7Confident15 Ų1544.8 Ų44.87%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-83.5135.8170174.6167.9-104.900111.5R147 Q148 F149 S193 M196 R199E143-R147 IonicContact OE2-NH1 3.55Å; E143-Q148 CarbonylContact C-O 3.55Å; E143-Q148 WeakPolarHBondContact CA-O 3.46Å; E143-F149 HydrophobicContact CB-CE1 4.3Å; E143-S193 VanDerWaalsContact OE2-CB 3.26Å; E143-S193 WeakPolarHBondContact OE2-CB 3.37Å; E143-S193 PolarHBondContact OE2-N 2.85Å; E143-S193 PolarHBondContact OE2-OG 2.9Å; E143-M196 HydrophobicContact CB-CG 3.82Å; E143-M196 HydrophobicContact CB-SD 3.56Å; E143-M196 VanDerWaalsContact CB-SD 3.56Å; E143-M196 HydrophobicContact CG-CG 4.33Å; E143-R199 IonicContact OE1-CZ 3.32Å; E143-R199 IonicContact OE1-NE 3.49Å; E143-R199 PolarHBondContact OE1-NE 3.25Å; E143-R199 IonicContact OE1-NH2 2.63Å; E143-R199 PolarHBondContact OE1-NH2 2.93Å; E143-R199 IonicContact OE2-NH2 3.37Å; E143-R199 PolarHBondContact OE2-NH2 3.09Å
144T86.1Confident88.5Confident34 Ų3440.4 Ų40.421%0.20919%0.194CC..  trans-89.216517361.30000111.5D146 R147 Q148 V150T144-D146 WeakPolarHBondContact CB-OD1 3.28Å; T144-D146 PolarHBondContact O-N 3.04Å; T144-D146 PolarHBondContact OG1-OD1 2.93Å; T144-R147 WeakPolarHBondContact O-CA 3.36Å; T144-R147 PolarHBondContact O-N 3.17Å; T144-Q148 PolarHBondContact N-O 2.86Å; T144-Q148 WeakPolarHBondContact OG1-CB 3.5Å; T144-Q148 PolarHBondContact OG1-N 2.8Å; T144-Q148 VanDerWaalsContact OG1-N 3.07Å; T144-Q148 PolarHBondContact OG1-O 2.68Å; T144-V150 HydrophobicContact CG2-CB 4.29Å; T144-V150 HydrophobicContact CG2-CG1 3.52Å; T144-V150 HydrophobicContact CG2-CG2 3.8Å
145K84Confident86.9Confident199 Ų19947.6 Ų47.687%0.86523%0.225SC*.THydrogen-bonded Turntrans-58.7-31.9179.3-172.9177.5178.7-178.70113.4R147K145-R147 PolarHBondContact O-N 3.37Å
146D86.2Confident85.1Confident109 Ų10950.7 Ų50.758%0.58324%0.241SC*.THydrogen-bonded Turntrans-8615174.565.3-39.3000113.4T144 Q148T144-D146 WeakPolarHBondContact CB-OD1 3.28Å; T144-D146 PolarHBondContact O-N 3.04Å; T144-D146 PolarHBondContact OG1-OD1 2.93Å; D146-Q148 VanDerWaalsContact C-N 3.28Å; D146-Q148 PolarHBondContact O-N 3.45Å
147R87.9Confident83.1Confident100 Ų10055.9 Ų55.938%0.37727%0.269SS..SBendtrans68.324.3169.9-46-46-170.9-177-2.3114.3E143 T144 K145E143-R147 IonicContact OE2-NH1 3.55Å; T144-R147 WeakPolarHBondContact O-CA 3.36Å; T144-R147 PolarHBondContact O-N 3.17Å; K145-R147 PolarHBondContact O-N 3.37Å
148Q86.7Confident81Confident68 Ų6865.9 Ų65.932%0.31831%0.313SS..  trans-94.6158.2170.4-57.2-53.2-51.900109.7E143 T144 D146 T166E143-Q148 CarbonylContact C-O 3.55Å; E143-Q148 WeakPolarHBondContact CA-O 3.46Å; T144-Q148 PolarHBondContact N-O 2.86Å; T144-Q148 WeakPolarHBondContact OG1-CB 3.5Å; T144-Q148 PolarHBondContact OG1-N 2.8Å; T144-Q148 VanDerWaalsContact OG1-N 3.07Å; T144-Q148 PolarHBondContact OG1-O 2.68Å; D146-Q148 VanDerWaalsContact C-N 3.28Å; D146-Q148 PolarHBondContact O-N 3.45Å; Q148-T166 HydrophobicContact CB-CG2 3.86Å; Q148-T166 HydrophobicContact CG-CG2 4.18Å
149F87.5Confident78.9Confident3 Ų376.1 Ų76.11%0.01335%0.351CS..EExtended strand (participates in β ladder)trans-88.7158.2167.9-65.9-85.4000109.4I141 Q142 E143 H168 M196 R199 F200 Y204I141-F149 HydrophobicContact CD1-CD1 4.02Å; Q142-F149 CarbonylContact O-C 3.35Å; Q142-F149 VanDerWaalsContact O-CA 3.29Å; Q142-F149 WeakPolarHBondContact O-CA 3.32Å; E143-F149 HydrophobicContact CB-CE1 4.3Å; F149-H168 PolarHBondContact O-CE1 3.12Å; F149-H168 PolarHBondContact O-ND1 2.75Å; F149-M196 HydrophobicContact CE1-CG 3.92Å; F149-M196 HydrophobicContact CZ-CG 3.99Å; F149-R199 HydrophobicContact CE2-CB 4.34Å; F149-F200 HydrophobicContact CE1-CB 4.21Å; F149-F200 HydrophobicContact CE1-CD2 4.16Å; F149-F200 HydrophobicContact CE2-CB 4.16Å; F149-F200 HydrophobicContact CZ-CB 3.6Å; F149-F200 HydrophobicContact CZ-CD2 4.2Å; F149-F200 HydrophobicContact CZ-CG 4.41Å; F149-Y204 AromaticContact CD2-CE2 3.51Å; F149-Y204 HydrophobicContact CD2-CE2 3.51Å; F149-Y204 AromaticContact CE2-CE2 3.92Å; F149-Y204 HydrophobicContact CE2-CE2 3.92Å; F149-Y204 HydrophobicContact CG-CE2 4.06Å
150V83.2Confident77.1Confident32 Ų3282.1 Ų82.119%0.19438%0.383CS..EExtended strand (participates in β ladder)trans-142.2147.2171.2-72.80000109.3I141 Q142 T144 F152I141-V150 VanDerWaalsContact CA-O 3.22Å; I141-V150 WeakPolarHBondContact CA-O 3.44Å; Q142-V150 HydrophobicContact CB-CG2 4.49Å; Q142-V150 PolarHBondContact N-O 2.79Å; Q142-V150 VanDerWaalsContact N-O 3.11Å; Q142-V150 PolarHBondContact O-N 2.9Å; T144-V150 HydrophobicContact CG2-CB 4.29Å; T144-V150 HydrophobicContact CG2-CG1 3.52Å; T144-V150 HydrophobicContact CG2-CG2 3.8Å; V150-F152 HydrophobicContact CG2-CB 4.07Å; V150-F152 PolarHBondContact O-N 3.24Å
151V84.3Confident74.8Confident8 Ų888.4 Ų88.45%0.04842%0.421CS..EExtended strand (participates in β ladder)trans-78.3107.9168-165.30000107.3N121 M139 D140 T167 H168 T171N121-V151 HydrophobicContact CB-CG1 3.53Å; N121-V151 VanDerWaalsContact CG-CG1 3.45Å; N121-V151 VanDerWaalsContact OD1-CG1 3.26Å; N121-V151 WeakPolarHBondContact OD1-CG1 3.11Å; M139-V151 HydrophobicContact CB-CG1 4.25Å; M139-V151 HydrophobicContact CE-CB 4.36Å; M139-V151 HydrophobicContact CE-CG1 4.06Å; M139-V151 HydrophobicContact CE-CG2 3.5Å; M139-V151 VanDerWaalsContact CE-CG2 3.5Å; D140-V151 CarbonylContact O-C 3.36Å; D140-V151 WeakPolarHBondContact O-CA 3.4Å; D140-V151 VanDerWaalsContact O-CG1 3.26Å; D140-V151 WeakPolarHBondContact O-CG1 3.3Å; V151-T167 PolarHBondContact N-OG1 2.8Å; V151-T167 VanDerWaalsContact N-OG1 3.09Å; V151-T167 PolarHBondContact O-OG1 3.16Å; V151-H168 HydrophobicContact CG2-CB 3.5Å; V151-T171 HydrophobicContact CG2-CG2 4.38Å
152F75.5Confident72.7Confident41 Ų4191.6 Ų91.618%0.1846%0.456CS..  trans-163.5129.1-178.6-160.1-122.1000112D140 Q142 V150 D154 L157D140-F152 PolarHBondContact O-N 3.23Å; Q142-F152 PolarHBondContact NE2-O 3.46Å; V150-F152 HydrophobicContact CG2-CB 4.07Å; V150-F152 PolarHBondContact O-N 3.24Å; F152-D154 WeakPolarHBondContact CD1-O 3.48Å; F152-D154 HydrophobicContact CE1-CB 3.74Å; F152-D154 WeakPolarHBondContact CE1-O 3.08Å; F152-D154 HydrophobicContact CZ-CB 3.85Å; F152-L157 HydrophobicContact CD1-CD2 4.11Å; F152-L157 HydrophobicContact CE1-CD2 3.72Å; F152-L157 HydrophobicContact CE2-CD2 4.49Å; F152-L157 HydrophobicContact CZ-CD2 3.95Å
153H78.9Confident70.3Confident54 Ų54103 Ų10325%0.2550%0.498CS..SBendtrans-81-45.6-179.9177.8-84.7000113R111 D140 Q142 K187R111-H153 PolarHBondContact NE-CD2 3.06Å; R111-H153 PolarHBondContact NH2-CD2 3.46Å; R111-H153 PolarHBondContact NH2-NE2 3.45Å; D140-H153 HydrophobicContact CB-CB 4.39Å; D140-H153 IonicContact OD1-CD2 2.74Å; D140-H153 PolarHBondContact OD1-CD2 2.98Å; D140-H153 WeakPolarHBondContact OD2-CB 3.48Å; D140-H153 IonicContact OD2-CD2 2.66Å; D140-H153 PolarHBondContact OD2-CD2 3.07Å; D140-H153 IonicContact OD2-CG 3.68Å; Q142-H153 PolarHBondContact NE2-O 2.85Å; H153-K187 PolarHBondContact CD2-NZ 2.82Å; H153-K187 PolarHBondContact NE2-NZ 3.42Å
154D72.7Confident67.7Low78 Ų78110.2 Ų110.242%0.41754%0.537SS..SBendtrans-83154.6-169.4-65.1-19.9000112.3Q142 F152 N156Q142-D154 PolarHBondContact NE2-O 3.25Å; F152-D154 WeakPolarHBondContact CD1-O 3.48Å; F152-D154 HydrophobicContact CE1-CB 3.74Å; F152-D154 WeakPolarHBondContact CE1-O 3.08Å; F152-D154 HydrophobicContact CZ-CB 3.85Å; D154-N156 VanDerWaalsContact C-N 3.33Å
155K63.9Low65.6Low156 Ų156116.1 Ų116.168%0.67856%0.56SS**SBendtrans-78-17.4176.5-63.4-174.2179.1-176.50113.7T189K155-T189 HydrophobicContact CD-CG2 4.35Å; K155-T189 HydrophobicContact CG-CG2 4.28Å
156N59.8Low64.1Low129 Ų129108.4 Ų108.469%0.6953%0.53SS*.  trans-127.5131.2-171.2-72.4-39.6000112.2D154 K158D154-N156 VanDerWaalsContact C-N 3.33Å; N156-K158 VanDerWaalsContact C-N 3.28Å; N156-K158 PolarHBondContact O-N 3.16Å
157L55.5Low63Low121 Ų121106.4 Ų106.463%0.63452%0.522SS*.  trans-81.69.8-175.8-65.2172.6000115.2F152 R159 L160F152-L157 HydrophobicContact CD1-CD2 4.11Å; F152-L157 HydrophobicContact CE1-CD2 3.72Å; F152-L157 HydrophobicContact CE2-CD2 4.49Å; F152-L157 HydrophobicContact CZ-CD2 3.95Å; L157-R159 PolarHBondContact O-N 3Å; L157-L160 PolarHBondContact O-N 3.18Å
158K53.7Low61.8Low210 Ų210101.9 Ų101.991%0.91351%0.505SS*.THydrogen-bonded Turntrans-55.9-14-170.9-166175.6178.6-177.70113.6N156N156-K158 VanDerWaalsContact C-N 3.28Å; N156-K158 PolarHBondContact O-N 3.16Å
159R51.9Low60.6Low215 Ų215102.5 Ų102.581%0.81151%0.508SS*.THydrogen-bonded Turntrans-105.5-18.9-169.6-143.9170.6179.1165.4-1.8116.9L157L157-R159 PolarHBondContact O-N 3Å
160L56Low59.7Low131 Ų131106.3 Ų106.369%0.68653%0.528SS*.  trans-150.140.5-158.2-70.7169.6000117.8L157L157-L160 PolarHBondContact O-N 3.18Å
161T45.2Very low59.6Low132 Ų132105 Ų10581%0.8152%0.52SS*.  trans-76.7145.7-176.856.60000115.4
162G46.9Very low59.7Low74 Ų74105.5 Ų105.576%0.76352%0.522SS*.  trans168.5-6.515300000122.5
163R38.9Very low60.2Low253 Ų253107.1 Ų107.196%0.95554%0.535SS*.  trans-144.7150.6-178.1-73.3-171179.2174.50.3115
164D36.6Very low60.6Low167 Ų167106.2 Ų106.289%0.89353%0.531SS*.  trans-105.469.4-173-16010.3000112.3
165K43.3Very low61.5Low159 Ų159102.5 Ų102.569%0.69151%0.511SS*.SBendtrans-143.2135.1158.2-73-166.7178.1-172.60106.8T167 L170K165-T167 PolarHBondContact O-N 3.15Å; K165-T167 VanDerWaalsContact O-N 3.1Å; K165-L170 HydrophobicContact CB-CD1 4.34Å; K165-L170 HydrophobicContact CD-CD1 4.17Å
166T52.4Low62.9Low36 Ų3696.4 Ų96.422%0.22149%0.486CS..  trans-67.6111.7179.449.80000109.6Q148 H168 E169Q148-T166 HydrophobicContact CB-CG2 3.86Å; Q148-T166 HydrophobicContact CG-CG2 4.18Å; T166-H168 VanDerWaalsContact CB-CE1 3.41Å; T166-H168 WeakPolarHBondContact CB-CE1 3.01Å; T166-H168 WeakPolarHBondContact CB-ND1 3.31Å; T166-H168 PolarHBondContact O-N 2.61Å; T166-H168 PolarHBondContact OG1-CE1 2.94Å; T166-E169 PolarHBondContact O-N 2.87Å
167T62.6Low64.4Low67 Ų6796.7 Ų96.741%0.41148%0.483SS..Hα-helixtrans-53.5-29.2-170.948.80000113.9V151 K165 T171V151-T167 PolarHBondContact N-OG1 2.8Å; V151-T167 VanDerWaalsContact N-OG1 3.09Å; V151-T167 PolarHBondContact O-OG1 3.16Å; K165-T167 PolarHBondContact O-N 3.15Å; K165-T167 VanDerWaalsContact O-N 3.1Å; T167-T171 PolarHBondContact O-N 2.79Å; T167-T171 VanDerWaalsContact O-N 3.16Å; T167-T171 PolarHBondContact O-OG1 3.26Å
168H62.3Low66.3Low6 Ų695.3 Ų95.33%0.02847%0.473CS..Hα-helixtrans-73.3-35.1-174.373.8-73.2000115.3F149 V151 T166 L170 T171 L172 Y204F149-H168 PolarHBondContact O-CE1 3.12Å; F149-H168 PolarHBondContact O-ND1 2.75Å; V151-H168 HydrophobicContact CG2-CB 3.5Å; T166-H168 VanDerWaalsContact CB-CE1 3.41Å; T166-H168 WeakPolarHBondContact CB-CE1 3.01Å; T166-H168 WeakPolarHBondContact CB-ND1 3.31Å; T166-H168 PolarHBondContact O-N 2.61Å; T166-H168 PolarHBondContact OG1-CE1 2.94Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-T171 PolarHBondContact O-N 2.82Å; H168-L172 VanDerWaalsContact O-CB 3.31Å; H168-L172 WeakPolarHBondContact O-CB 3.4Å; H168-L172 PolarHBondContact O-N 2.85Å; H168-Y204 AromaticContact CD2-CE1 3.99Å; H168-Y204 AromaticContact CD2-CZ 3.73Å; H168-Y204 PolarHBondContact CD2-OH 3.14Å; H168-Y204 AromaticContact NE2-CZ 3.68Å; H168-Y204 PolarHBondContact NE2-OH 2.86Å
169E61.9Low68.3Low81 Ų8193.3 Ų93.338%0.37947%0.467SS..Hα-helixtrans-68.1-41.7180-59.5-173.7147.600110.2T166 T171 L172 T173 K203T166-E169 PolarHBondContact O-N 2.87Å; E169-T171 VanDerWaalsContact C-N 3.34Å; E169-T171 PolarHBondContact O-N 2.98Å; E169-L172 PolarHBondContact O-N 2.99Å; E169-T173 WeakPolarHBondContact O-CB 3.36Å; E169-T173 PolarHBondContact O-N 3.06Å; E169-T173 PolarHBondContact O-OG1 3.32Å; E169-T173 VanDerWaalsContact O-OG1 3.12Å; E169-K203 WeakPolarHBondContact OE1-CE 3.48Å; E169-K203 IonicContact OE1-NZ 2.67Å; E169-K203 PolarHBondContact OE1-NZ 3.35Å
170L69.3Low70.4Confident82 Ų8283.7 Ų83.743%0.42943%0.431SS..Hα-helixtrans-63.5-42.3175.7-63.3176.6000110.9I123 K165 H168 F174I123-L170 HydrophobicContact CD1-CB 3.7Å; K165-L170 HydrophobicContact CB-CD1 4.34Å; K165-L170 HydrophobicContact CD-CD1 4.17Å; H168-L170 VanDerWaalsContact C-N 3.34Å; L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.46Å
171T81.1Confident72.4Confident5 Ų581.3 Ų81.33%0.03142%0.415CS..Hα-helixtrans-63.7-45.8176.5-600000111.9M126 M139 V151 T167 H168 E169 F174 A175M126-T171 HydrophobicContact CE-CG2 3.42Å; M126-T171 VanDerWaalsContact CE-CG2 3.42Å; M126-T171 HydrophobicContact SD-CG2 4.01Å; M139-T171 HydrophobicContact CE-CG2 4.32Å; M139-T171 HydrophobicContact SD-CG2 3.87Å; V151-T171 HydrophobicContact CG2-CG2 4.38Å; T167-T171 PolarHBondContact O-N 2.79Å; T167-T171 VanDerWaalsContact O-N 3.16Å; T167-T171 PolarHBondContact O-OG1 3.26Å; H168-T171 PolarHBondContact O-N 2.82Å; E169-T171 VanDerWaalsContact C-N 3.34Å; E169-T171 PolarHBondContact O-N 2.98Å; T171-F174 PolarHBondContact O-N 3.42Å; T171-A175 WeakPolarHBondContact O-CB 3.46Å; T171-A175 PolarHBondContact O-N 3.11Å
172L84.7Confident74.9Confident19 Ų1975 Ų7510%0.09938%0.376CS..Hα-helixtrans-65.2-47179.7179.660.9000111.8H168 E169 F174 A175 N176 L182 Y204 T207 H213H168-L172 VanDerWaalsContact O-CB 3.31Å; H168-L172 WeakPolarHBondContact O-CB 3.4Å; H168-L172 PolarHBondContact O-N 2.85Å; E169-L172 PolarHBondContact O-N 2.99Å; L172-F174 VanDerWaalsContact C-N 3.33Å; L172-F174 PolarHBondContact O-N 2.76Å; L172-A175 PolarHBondContact O-N 3.35Å; L172-N176 WeakPolarHBondContact O-CB 3.42Å; L172-N176 PolarHBondContact O-N 2.97Å; L172-N176 PolarHBondContact O-ND2 2.97Å; L172-N176 VanDerWaalsContact O-ND2 3.07Å; L172-L182 HydrophobicContact CD1-CD1 3.8Å; L172-Y204 HydrophobicContact CD2-CD1 3.64Å; L172-Y204 HydrophobicContact CD2-CE1 4.01Å; L172-T207 HydrophobicContact CD1-CG2 4.16Å; L172-T207 HydrophobicContact CD2-CG2 3.98Å; L172-T207 HydrophobicContact CG-CG2 4.2Å; L172-H213 VanDerWaalsContact CD1-NE2 3.33Å; L172-H213 WeakPolarHBondContact CD1-NE2 3.38Å
173T86.3Confident77.2Confident74 Ų7471.5 Ų71.545%0.45434%0.34SS..Hα-helixtrans-59.5-46175.2-65.70000110.8E169 A175 N176 E177E169-T173 WeakPolarHBondContact O-CB 3.36Å; E169-T173 PolarHBondContact O-N 3.06Å; E169-T173 PolarHBondContact O-OG1 3.32Å; E169-T173 VanDerWaalsContact O-OG1 3.12Å; T173-A175 PolarHBondContact O-N 2.95Å; T173-N176 PolarHBondContact O-N 3.36Å; T173-E177 HydrophobicContact CG2-CG 4.35Å; T173-E177 WeakPolarHBondContact O-CG 3.43Å; T173-E177 PolarHBondContact O-N 3.27Å
174F87.1Confident79.9Confident36 Ų3659.9 Ų59.916%0.15830%0.297CS..Hα-helixtrans-59.9-45.8178.5-177.4-92.5000112.1I123 M126 A127 I130 L170 T171 L172 N176 E177 H178I123-F174 HydrophobicContact CG1-CB 4.45Å; I123-F174 HydrophobicContact CG1-CG 4.48Å; I123-F174 HydrophobicContact CG2-CD1 4.08Å; I123-F174 HydrophobicContact CG2-CD2 3.77Å; I123-F174 HydrophobicContact CG2-CE1 4.14Å; I123-F174 HydrophobicContact CG2-CE2 3.84Å; I123-F174 HydrophobicContact CG2-CG 3.9Å; I123-F174 HydrophobicContact CG2-CZ 4.04Å; M126-F174 HydrophobicContact CG-CD1 4.29Å; M126-F174 HydrophobicContact CG-CE1 4.22Å; M126-F174 HydrophobicContact SD-CD1 3.85Å; M126-F174 HydrophobicContact SD-CE1 4.37Å; A127-F174 HydrophobicContact CB-CE1 4.02Å; A127-F174 HydrophobicContact CB-CZ 3.58Å; I130-F174 HydrophobicContact CD1-CD1 4.46Å; I130-F174 HydrophobicContact CD1-CE1 3.9Å; L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.46Å; T171-F174 PolarHBondContact O-N 3.42Å; L172-F174 VanDerWaalsContact C-N 3.33Å; L172-F174 PolarHBondContact O-N 2.76Å; F174-N176 VanDerWaalsContact C-N 3.35Å; F174-N176 PolarHBondContact O-N 3.31Å; F174-E177 PolarHBondContact O-N 2.67Å; F174-H178 AromaticContact CD2-CE1 3.73Å; F174-H178 AromaticContact CE1-ND1 3.97Å; F174-H178 AromaticContact CE2-CE1 3.28Å; F174-H178 WeakPolarHBondContact CE2-CE1 3.49Å; F174-H178 AromaticContact CE2-ND1 3.86Å; F174-H178 AromaticContact CE2-NE2 3.98Å; F174-H178 AromaticContact CZ-CE1 3.46Å; F174-H178 VanDerWaalsContact CZ-CE1 3.46Å; F174-H178 WeakPolarHBondContact CZ-CE1 3.31Å; F174-H178 AromaticContact CZ-ND1 3.82Å; F174-H178 AromaticContact CZ-NE2 3.85Å; F174-H178 PolarHBondContact O-N 2.94Å; F174-H178 PolarHBondContact O-ND1 3.03Å
175A91.5Very high82.7Confident0 Ų052.3 Ų52.30%026%0.256CS..Hα-helixtrans-60.4-44.3177.200000111.8M126 T171 L172 T173 H178 H179 Q180 L182M126-A175 HydrophobicContact SD-CB 4.26Å; T171-A175 WeakPolarHBondContact O-CB 3.46Å; T171-A175 PolarHBondContact O-N 3.11Å; L172-A175 PolarHBondContact O-N 3.35Å; T173-A175 PolarHBondContact O-N 2.95Å; A175-H178 CarbonylContact O-C 3.57Å; A175-H178 PolarHBondContact O-N 2.96Å; A175-H178 VanDerWaalsContact O-N 3.16Å; A175-H179 PolarHBondContact O-N 2.67Å; A175-Q180 HydrophobicContact CB-CB 4.39Å; A175-Q180 PolarHBondContact O-N 3.31Å; A175-L182 HydrophobicContact CB-CD1 3.7Å; A175-L182 HydrophobicContact CB-CD2 3.86Å; A175-L182 HydrophobicContact CB-CG 3.84Å
176N93.1Very high85.2Confident28 Ų2844.9 Ų44.915%0.1522%0.224CC..Hα-helixtrans-65.3-41.3178.9-68.6-29.3000112.9L172 T173 F174 H178 H179 T207 N211 H213L172-N176 WeakPolarHBondContact O-CB 3.42Å; L172-N176 PolarHBondContact O-N 2.97Å; L172-N176 PolarHBondContact O-ND2 2.97Å; L172-N176 VanDerWaalsContact O-ND2 3.07Å; T173-N176 PolarHBondContact O-N 3.36Å; F174-N176 VanDerWaalsContact C-N 3.35Å; F174-N176 PolarHBondContact O-N 3.31Å; N176-H178 PolarHBondContact O-N 3.24Å; N176-H179 PolarHBondContact O-N 2.92Å; N176-H179 VanDerWaalsContact O-N 3.09Å; N176-T207 VanDerWaalsContact ND2-CG2 3.33Å; N176-T207 WeakPolarHBondContact ND2-CG2 3.48Å; N176-N211 VanDerWaalsContact OD1-CB 3.3Å; N176-N211 WeakPolarHBondContact OD1-CB 3.41Å; N176-N211 PolarHBondContact OD1-ND2 3.18Å; N176-N211 PolarHBondContact OD1-OD1 3.36Å; N176-H213 PolarHBondContact OD1-CE1 3.17Å; N176-H213 PolarHBondContact OD1-NE2 2.93Å
177E93.2Very high87.1Confident135 Ų13545 Ų4563%0.63122%0.221SC*.Hα-helixtrans-60.1-27.6174.3-75176.2175.800112.5T173 F174T173-E177 HydrophobicContact CG2-CG 4.35Å; T173-E177 WeakPolarHBondContact O-CG 3.43Å; T173-E177 PolarHBondContact O-N 3.27Å; F174-E177 PolarHBondContact O-N 2.67Å
178H94.9Very high88.5Confident91 Ų9143.5 Ų43.542%0.42121%0.212SC..THydrogen-bonded Turntrans-100.46.9178.5-6677.1000113.3I130 F174 A175 N176 Q180I130-H178 HydrophobicContact CD1-CB 4.03Å; I130-H178 HydrophobicContact CG2-CB 4.48Å; F174-H178 AromaticContact CD2-CE1 3.73Å; F174-H178 AromaticContact CE1-ND1 3.97Å; F174-H178 AromaticContact CE2-CE1 3.28Å; F174-H178 WeakPolarHBondContact CE2-CE1 3.49Å; F174-H178 AromaticContact CE2-ND1 3.86Å; F174-H178 AromaticContact CE2-NE2 3.98Å; F174-H178 AromaticContact CZ-CE1 3.46Å; F174-H178 VanDerWaalsContact CZ-CE1 3.46Å; F174-H178 WeakPolarHBondContact CZ-CE1 3.31Å; F174-H178 AromaticContact CZ-ND1 3.82Å; F174-H178 AromaticContact CZ-NE2 3.85Å; F174-H178 PolarHBondContact O-N 2.94Å; F174-H178 PolarHBondContact O-ND1 3.03Å; A175-H178 CarbonylContact O-C 3.57Å; A175-H178 PolarHBondContact O-N 2.96Å; A175-H178 VanDerWaalsContact O-N 3.16Å; N176-H178 PolarHBondContact O-N 3.24Å; H178-Q180 PolarHBondContact O-N 3.34Å; H178-Q180 VanDerWaalsContact O-N 3.12Å
179H95.1Very high89.8Confident168 Ų16845 Ų4578%0.77822%0.222SC*.THydrogen-bonded Turntrans53.326.7-175-55.1-65.4000114.2A175 N176A175-H179 PolarHBondContact O-N 2.67Å; N176-H179 PolarHBondContact O-N 2.92Å; N176-H179 VanDerWaalsContact O-N 3.09Å
180Q96.8Very high91.1Very high14 Ų1447.7 Ų47.77%0.06525%0.25CC..  trans-83.7125.3177.4-17961.560.600109.6I130 P134 I137 A175 H178I130-Q180 HydrophobicContact CD1-CB 3.83Å; I130-Q180 HydrophobicContact CD1-CG 4.04Å; I130-Q180 HydrophobicContact CG1-CB 4.05Å; I130-Q180 HydrophobicContact CG1-CG 3.85Å; P134-Q180 PolarHBondContact O-NE2 3.47Å; I137-Q180 HydrophobicContact CB-CG 4.45Å; I137-Q180 HydrophobicContact CD1-CG 3.85Å; I137-Q180 HydrophobicContact CG1-CG 4.05Å; A175-Q180 HydrophobicContact CB-CB 4.39Å; A175-Q180 PolarHBondContact O-N 3.31Å; H178-Q180 PolarHBondContact O-N 3.34Å; H178-Q180 VanDerWaalsContact O-N 3.12Å
181K97.5Very high92Very high80 Ų8047.4 Ų47.435%0.34826%0.259SS..EExtended strand (participates in β ladder)trans-78.1144.3174.7-55.3173.1-170.8161.10109.9Y136 I137 H212Y136-K181 WeakPolarHBondContact CA-O 3.5Å; Y136-K181 HydrophobicContact CD1-CB 3.5Å; Y136-K181 HydrophobicContact CE1-CB 3.45Å; Y136-K181 VanDerWaalsContact CE1-CB 3.45Å; Y136-K181 HydrophobicContact CE1-CD 3.94Å; Y136-K181 HydrophobicContact CE1-CG 4.3Å; Y136-K181 HydrophobicContact CE2-CD 4.22Å; Y136-K181 HydrophobicContact CG-CB 4.16Å; I137-K181 PolarHBondContact N-O 3.39Å; K181-H212 HydrophobicContact CD-CB 4.44Å
182L96.8Very high92.5Very high0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-111.7140.6179.2-61.5172.8000110.9M126 I137 M139 L172 A175 I184 H213 R214M126-L182 HydrophobicContact CE-CD2 3.88Å; I137-L182 HydrophobicContact CB-CD2 4.14Å; I137-L182 HydrophobicContact CG2-CD2 4.44Å; I137-L182 CarbonylContact O-C 3.59Å; I137-L182 VanDerWaalsContact O-CA 3.28Å; I137-L182 WeakPolarHBondContact O-CA 3.41Å; M139-L182 HydrophobicContact CG-CD2 4.48Å; M139-L182 HydrophobicContact SD-CD1 3.67Å; M139-L182 HydrophobicContact SD-CD2 4.09Å; M139-L182 HydrophobicContact SD-CG 4.33Å; L172-L182 HydrophobicContact CD1-CD1 3.8Å; A175-L182 HydrophobicContact CB-CD1 3.7Å; A175-L182 HydrophobicContact CB-CD2 3.86Å; A175-L182 HydrophobicContact CB-CG 3.84Å; L182-I184 HydrophobicContact CB-CD1 4.38Å; L182-I184 HydrophobicContact CB-CG1 3.86Å; L182-H213 HydrophobicContact CB-CB 4.41Å; L182-H213 PolarHBondContact N-ND1 3.41Å; L182-H213 WeakPolarHBondContact O-CA 3.47Å; L182-H213 WeakPolarHBondContact O-CB 3.48Å; L182-R214 PolarHBondContact O-N 2.7Å
183L96.4Very high92.9Very high1 Ų148.5 Ų48.51%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-100.4102.1161178.463.4000107.3I108 I137 E138 M139 R214 H216 I236 V290I108-L183 HydrophobicContact CD1-CD2 4.23Å; I108-L183 HydrophobicContact CG2-CB 4.5Å; I108-L183 HydrophobicContact CG2-CD2 4.25Å; I137-L183 PolarHBondContact O-N 3.25Å; E138-L183 CarbonylContact C-O 3.43Å; E138-L183 VanDerWaalsContact CA-O 3.25Å; E138-L183 WeakPolarHBondContact CA-O 3.47Å; E138-L183 HydrophobicContact CB-CB 4.27Å; E138-L183 HydrophobicContact CB-CD2 4.42Å; E138-L183 HydrophobicContact CG-CB 4.44Å; E138-L183 HydrophobicContact CG-CD2 4.16Å; E138-L183 HydrophobicContact CG-CG 4.32Å; M139-L183 PolarHBondContact N-O 2.74Å; L183-R214 HydrophobicContact CD1-CB 3.74Å; L183-H216 HydrophobicContact CD1-CB 3.97Å; L183-H216 HydrophobicContact CG-CB 4.23Å; L183-I236 HydrophobicContact CD1-CD1 3.63Å; L183-I236 HydrophobicContact CD1-CG1 4.36Å; L183-V290 HydrophobicContact CD2-CG2 4.42Å
184I95.4Very high93.3Very high9 Ų954 Ų545%0.04628%0.284CS..EExtended strand (participates in β ladder)trans-92.8108.3-171-58.2167.1000108.7M139 I141 L182 V208 H213 R214 I215 H216M139-I184 HydrophobicContact CG-CG1 4.34Å; I141-I184 HydrophobicContact CD1-CG2 3.71Å; I141-I184 HydrophobicContact CG1-CG2 3.88Å; I141-I184 HydrophobicContact CG2-CG2 4.14Å; L182-I184 HydrophobicContact CB-CD1 4.38Å; L182-I184 HydrophobicContact CB-CG1 3.86Å; I184-V208 HydrophobicContact CD1-CG2 4.06Å; I184-H213 HydrophobicContact CD1-CB 4.19Å; I184-R214 PolarHBondContact N-O 2.92Å; I184-I215 CarbonylContact O-C 3.18Å; I184-I215 WeakPolarHBondContact O-CA 3.23Å; I184-H216 PolarHBondContact O-N 2.94Å
185E95.1Very high93.7Very high8 Ų857 Ų574%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-82.6116.8173-169.8178.1154.300111.1E138 M139 I141 K187 H216 W270E138-E185 WeakPolarHBondContact OE1-CB 3.32Å; M139-E185 PolarHBondContact O-N 3.24Å; I141-E185 WeakPolarHBondContact CG1-O 3.5Å; I141-E185 PolarHBondContact N-O 3Å; E185-K187 VanDerWaalsContact CD-CE 3.41Å; E185-K187 HydrophobicContact CG-CG 4.21Å; E185-K187 PolarHBondContact O-N 2.98Å; E185-K187 WeakPolarHBondContact OE1-CE 3.37Å; E185-K187 IonicContact OE1-NZ 3.53Å; E185-H216 CarbonylContact C-O 3.49Å; E185-H216 VanDerWaalsContact CA-O 3.24Å; E185-H216 WeakPolarHBondContact CA-O 3.47Å; E185-H216 HydrophobicContact CB-CB 4.28Å; E185-H216 HydrophobicContact CG-CB 4.4Å; E185-H216 IonicContact OE2-ND1 3.67Å; E185-W270 WeakPolarHBondContact OE2-CH2 3.21Å
186I94.8Very high93.9Very high2 Ų257.5 Ų57.51%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-85.9108171.4-58.9177.3000108.3I141 M196 M197 F200 I215 H216 S217 V222 L226I141-I186 HydrophobicContact CD1-CG1 4.12Å; I141-I186 HydrophobicContact CG1-CG1 4.17Å; I186-M196 HydrophobicContact CG2-CE 4.41Å; I186-M197 HydrophobicContact CD1-CE 4.34Å; I186-M197 HydrophobicContact CD1-SD 4.2Å; I186-M197 HydrophobicContact CG2-CE 3.96Å; I186-M197 HydrophobicContact CG2-SD 4.46Å; I186-F200 HydrophobicContact CD1-CD1 4.06Å; I186-F200 HydrophobicContact CD1-CD2 4.2Å; I186-F200 HydrophobicContact CD1-CE1 3.91Å; I186-F200 HydrophobicContact CD1-CE2 4.05Å; I186-F200 HydrophobicContact CD1-CG 4.22Å; I186-F200 HydrophobicContact CD1-CZ 3.9Å; I186-F200 HydrophobicContact CG1-CE2 4.37Å; I186-F200 HydrophobicContact CG1-CZ 4.49Å; I186-I215 HydrophobicContact CD1-CG2 3.71Å; I186-I215 HydrophobicContact CG1-CG2 4.03Å; I186-H216 PolarHBondContact N-O 2.86Å; I186-S217 WeakPolarHBondContact O-CB 3.35Å; I186-S217 PolarHBondContact O-OG 2.82Å; I186-V222 HydrophobicContact CB-CG1 4.13Å; I186-V222 HydrophobicContact CD1-CG1 3.96Å; I186-V222 HydrophobicContact CG2-CG1 4.08Å; I186-V222 HydrophobicContact CG2-CG2 4.18Å; I186-L226 HydrophobicContact CD1-CD1 4.14Å
187K92.4Very high94Very high38 Ų3856.4 Ų56.417%0.16530%0.295CS..  trans-92.8131.9174.8-72.3-169.3163.8166.40110.8D140 I141 Q142 H153 E185D140-K187 HydrophobicContact CB-CD 4.17Å; D140-K187 WeakPolarHBondContact OD1-CE 3.43Å; D140-K187 IonicContact OD1-NZ 3.76Å; D140-K187 PolarHBondContact OD1-NZ 3.12Å; I141-K187 PolarHBondContact O-N 3.13Å; Q142-K187 HydrophobicContact CG-CB 3.59Å; H153-K187 PolarHBondContact CD2-NZ 2.82Å; H153-K187 PolarHBondContact NE2-NZ 3.42Å; E185-K187 VanDerWaalsContact CD-CE 3.41Å; E185-K187 HydrophobicContact CG-CG 4.21Å; E185-K187 PolarHBondContact O-N 2.98Å; E185-K187 WeakPolarHBondContact OE1-CE 3.37Å; E185-K187 IonicContact OE1-NZ 3.53Å
188T93Very high94.2Very high37 Ų3752.8 Ų52.823%0.22728%0.28CS..  trans-108.1150.3-178.864.20000113D192 M196 D219 V222T188-D192 WeakPolarHBondContact CA-OD2 3.4Å; T188-M196 HydrophobicContact CG2-CE 3.82Å; T188-D219 WeakPolarHBondContact CB-OD2 3.49Å; T188-D219 HydrophobicContact CG2-CB 3.86Å; T188-D219 WeakPolarHBondContact CG2-OD2 3.37Å; T188-D219 PolarHBondContact OG1-OD2 3.06Å; T188-V222 HydrophobicContact CG2-CG2 3.4Å
189T90.2Very high94.3Very high38 Ų3851.7 Ų51.723%0.23327%0.272CS..  trans-136160.4174.1830000110.2K155 A191 D192K155-T189 HydrophobicContact CD-CG2 4.35Å; K155-T189 HydrophobicContact CG-CG2 4.28Å; T189-A191 PolarHBondContact O-N 3.15Å; T189-A191 PolarHBondContact OG1-N 3.4Å; T189-D192 PolarHBondContact N-OD2 3.31Å; T189-D192 WeakPolarHBondContact O-CB 3.3Å; T189-D192 PolarHBondContact O-N 2.85Å; T189-D192 PolarHBondContact OG1-OD1 2.97Å
190S89Confident94.3Very high137 Ų13743.8 Ų43.896%0.95824%0.235SC*.THydrogen-bonded Turntrans-66.4-7.9174.960.80000114.1
191A87.8Confident94.3Very high76 Ų7643.8 Ų43.863%0.62824%0.236SC*.THydrogen-bonded Turntrans-92-8.417900000113T189T189-A191 PolarHBondContact O-N 3.15Å; T189-A191 PolarHBondContact OG1-N 3.4Å
192D91.9Very high94.3Very high30 Ų3046.9 Ų46.916%0.1626%0.256CS..SBendtrans-65.1148.9-178.6-57-9.6000110.2T188 T189 M196T188-D192 WeakPolarHBondContact CA-OD2 3.4Å; T189-D192 PolarHBondContact N-OD2 3.31Å; T189-D192 WeakPolarHBondContact O-CB 3.3Å; T189-D192 PolarHBondContact O-N 2.85Å; T189-D192 PolarHBondContact OG1-OD1 2.97Å; D192-M196 HydrophobicContact CB-CE 4.28Å; D192-M196 HydrophobicContact CB-SD 3.79Å
193S93.2Very high94.1Very high16 Ų1650.5 Ų50.511%0.11227%0.272CS..  trans-71.3164.4173.364.80000112.1E143 E195 M196 R199E143-S193 VanDerWaalsContact OE2-CB 3.26Å; E143-S193 WeakPolarHBondContact OE2-CB 3.37Å; E143-S193 PolarHBondContact OE2-N 2.85Å; E143-S193 PolarHBondContact OE2-OG 2.9Å; S193-E195 VanDerWaalsContact C-N 3.3Å; S193-E195 PolarHBondContact OG-N 3.3Å; S193-M196 WeakPolarHBondContact OG-CA 3.39Å; S193-M196 WeakPolarHBondContact OG-CB 3.48Å; S193-M196 PolarHBondContact OG-N 3.21Å; S193-R199 VanDerWaalsContact CB-NH2 3.28Å; S193-R199 PolarHBondContact OG-NH2 2.91Å
194K93.4Very high94.1Very high191 Ų19151.1 Ų51.183%0.8327%0.274SS*.THydrogen-bonded Turntrans-71.1-27.4170.5-64.4-176.3178-1770112.6
195E95.4Very high94.1Very high98 Ų9853.6 Ų53.646%0.45829%0.286SS..THydrogen-bonded Turntrans-97.916.9-177.4-47.878-171.300112.2S193 M197 D198 R199S193-E195 VanDerWaalsContact C-N 3.3Å; S193-E195 PolarHBondContact OG-N 3.3Å; E195-M197 VanDerWaalsContact C-N 3.33Å; E195-M197 PolarHBondContact O-N 3.46Å; E195-D198 HydrophobicContact CB-CB 4.5Å; E195-D198 PolarHBondContact O-N 2.87Å; E195-R199 PolarHBondContact O-N 2.93Å; E195-R199 VanDerWaalsContact O-N 3.07Å; E195-R199 PolarHBondContact O-NH1 3.3Å
196M96.1Very high94.2Very high11 Ų1157 Ų575%0.05432%0.315CS..Hα-helixtrans-59-46.3-179.4-178.6-177.464.600110.6E143 F149 I186 T188 D192 S193 R199 F200 V222E143-M196 HydrophobicContact CB-CG 3.82Å; E143-M196 HydrophobicContact CB-SD 3.56Å; E143-M196 VanDerWaalsContact CB-SD 3.56Å; E143-M196 HydrophobicContact CG-CG 4.33Å; F149-M196 HydrophobicContact CE1-CG 3.92Å; F149-M196 HydrophobicContact CZ-CG 3.99Å; I186-M196 HydrophobicContact CG2-CE 4.41Å; T188-M196 HydrophobicContact CG2-CE 3.82Å; D192-M196 HydrophobicContact CB-CE 4.28Å; D192-M196 HydrophobicContact CB-SD 3.79Å; S193-M196 WeakPolarHBondContact OG-CA 3.39Å; S193-M196 WeakPolarHBondContact OG-CB 3.48Å; S193-M196 PolarHBondContact OG-N 3.21Å; M196-R199 PolarHBondContact O-N 3.44Å; M196-F200 WeakPolarHBondContact O-CB 3.48Å; M196-F200 PolarHBondContact O-N 3.14Å; M196-V222 HydrophobicContact CE-CG2 4.46Å
197M96.3Very high94.2Very high4 Ų459 Ų592%0.0233%0.328CS..Hα-helixtrans-71.3-36.1-179-68-57.383.200112.7I186 E195 R199 F200 I201 V222 E225I186-M197 HydrophobicContact CD1-CE 4.34Å; I186-M197 HydrophobicContact CD1-SD 4.2Å; I186-M197 HydrophobicContact CG2-CE 3.96Å; I186-M197 HydrophobicContact CG2-SD 4.46Å; E195-M197 VanDerWaalsContact C-N 3.33Å; E195-M197 PolarHBondContact O-N 3.46Å; M197-R199 VanDerWaalsContact C-N 3.32Å; M197-R199 PolarHBondContact O-N 3.06Å; M197-F200 HydrophobicContact CE-CB 3.98Å; M197-F200 HydrophobicContact CE-CG 4.48Å; M197-F200 PolarHBondContact O-N 2.69Å; M197-I201 WeakPolarHBondContact O-CB 3.36Å; M197-I201 WeakPolarHBondContact O-CD1 3.28Å; M197-I201 WeakPolarHBondContact O-CG1 3.49Å; M197-I201 PolarHBondContact O-N 2.92Å; M197-V222 HydrophobicContact SD-CB 4.24Å; M197-V222 HydrophobicContact SD-CG1 3.74Å; M197-V222 HydrophobicContact SD-CG2 3.98Å; M197-E225 HydrophobicContact CB-CG 3.91Å; M197-E225 WeakPolarHBondContact CB-OE1 3.4Å; M197-E225 VanDerWaalsContact CB-OE2 3.31Å; M197-E225 WeakPolarHBondContact CB-OE2 3.39Å; M197-E225 HydrophobicContact CG-CB 4.48Å; M197-E225 HydrophobicContact CG-CG 4.31Å; M197-E225 VanDerWaalsContact CG-OE2 3.25Å; M197-E225 WeakPolarHBondContact CG-OE2 3.34Å
198D97.1Very high94.4Very high60 Ų6057.3 Ų57.332%0.32132%0.32SS..Hα-helixtrans-56.8-48.4170.9-69.9-43.6000110.8E195 F200 I201 D202 K229E195-D198 HydrophobicContact CB-CB 4.5Å; E195-D198 PolarHBondContact O-N 2.87Å; D198-F200 PolarHBondContact O-N 3.03Å; D198-I201 PolarHBondContact O-N 3.46Å; D198-D202 WeakPolarHBondContact O-CB 3.5Å; D198-D202 VanDerWaalsContact O-CG 3.27Å; D198-D202 PolarHBondContact O-N 3.34Å; D198-K229 VanDerWaalsContact CG-NZ 3.28Å; D198-K229 WeakPolarHBondContact OD1-CD 3.32Å; D198-K229 IonicContact OD1-NZ 3.24Å; D198-K229 PolarHBondContact OD1-NZ 3.17Å; D198-K229 IonicContact OD2-NZ 3.34Å; D198-K229 PolarHBondContact OD2-NZ 3.41Å
199R96Very high94.5Very high67 Ų6758.6 Ų58.625%0.25333%0.325SS..Hα-helixtrans-64.3-40.2176.9-77.1-169.4-66.4-81.210.8113.4E143 F149 S193 E195 M196 M197 K203E143-R199 IonicContact OE1-CZ 3.32Å; E143-R199 IonicContact OE1-NE 3.49Å; E143-R199 PolarHBondContact OE1-NE 3.25Å; E143-R199 IonicContact OE1-NH2 2.63Å; E143-R199 PolarHBondContact OE1-NH2 2.93Å; E143-R199 IonicContact OE2-NH2 3.37Å; E143-R199 PolarHBondContact OE2-NH2 3.09Å; F149-R199 HydrophobicContact CE2-CB 4.34Å; S193-R199 VanDerWaalsContact CB-NH2 3.28Å; S193-R199 PolarHBondContact OG-NH2 2.91Å; E195-R199 PolarHBondContact O-N 2.93Å; E195-R199 VanDerWaalsContact O-N 3.07Å; E195-R199 PolarHBondContact O-NH1 3.3Å; M196-R199 PolarHBondContact O-N 3.44Å; M197-R199 VanDerWaalsContact C-N 3.32Å; M197-R199 PolarHBondContact O-N 3.06Å; R199-K203 WeakPolarHBondContact O-CB 3.26Å; R199-K203 PolarHBondContact O-N 2.96Å
200F96Very high94.9Very high2 Ų260.2 Ų60.21%0.00934%0.343CS..Hα-helixtrans-61.2-48.2176.9177.4-90.7000110.7I141 F149 I186 M196 M197 D198 K203 Y204 I215 L226I141-F200 HydrophobicContact CD1-CD2 3.81Å; I141-F200 HydrophobicContact CD1-CE2 3.45Å; I141-F200 VanDerWaalsContact CD1-CE2 3.45Å; F149-F200 HydrophobicContact CE1-CB 4.21Å; F149-F200 HydrophobicContact CE1-CD2 4.16Å; F149-F200 HydrophobicContact CE2-CB 4.16Å; F149-F200 HydrophobicContact CZ-CB 3.6Å; F149-F200 HydrophobicContact CZ-CD2 4.2Å; F149-F200 HydrophobicContact CZ-CG 4.41Å; I186-F200 HydrophobicContact CD1-CD1 4.06Å; I186-F200 HydrophobicContact CD1-CD2 4.2Å; I186-F200 HydrophobicContact CD1-CE1 3.91Å; I186-F200 HydrophobicContact CD1-CE2 4.05Å; I186-F200 HydrophobicContact CD1-CG 4.22Å; I186-F200 HydrophobicContact CD1-CZ 3.9Å; I186-F200 HydrophobicContact CG1-CE2 4.37Å; I186-F200 HydrophobicContact CG1-CZ 4.49Å; M196-F200 WeakPolarHBondContact O-CB 3.48Å; M196-F200 PolarHBondContact O-N 3.14Å; M197-F200 HydrophobicContact CE-CB 3.98Å; M197-F200 HydrophobicContact CE-CG 4.48Å; M197-F200 PolarHBondContact O-N 2.69Å; D198-F200 PolarHBondContact O-N 3.03Å; F200-K203 PolarHBondContact O-N 2.88Å; F200-Y204 AromaticContact CD2-CD2 3.46Å; F200-Y204 HydrophobicContact CD2-CD2 3.46Å; F200-Y204 VanDerWaalsContact CD2-CD2 3.46Å; F200-Y204 AromaticContact CD2-CE2 4Å; F200-Y204 HydrophobicContact CD2-CE2 4Å; F200-Y204 HydrophobicContact CD2-CG 4.45Å; F200-Y204 AromaticContact CE2-CD2 3.64Å; F200-Y204 HydrophobicContact CE2-CD2 3.64Å; F200-Y204 HydrophobicContact CE2-CE2 4.38Å; F200-Y204 HydrophobicContact CE2-CG 4.25Å; F200-Y204 HydrophobicContact CG-CD2 4.08Å; F200-Y204 HydrophobicContact CZ-CD2 4.4Å; F200-Y204 VanDerWaalsContact O-CD2 3.3Å; F200-Y204 WeakPolarHBondContact O-CD2 3.4Å; F200-Y204 PolarHBondContact O-N 3.33Å; F200-I215 HydrophobicContact CE1-CD1 3.59Å; F200-I215 HydrophobicContact CE1-CG1 4.48Å; F200-I215 HydrophobicContact CZ-CD1 3.9Å; F200-I215 HydrophobicContact CZ-CG1 4.33Å; F200-L226 HydrophobicContact CD1-CD2 4.18Å; F200-L226 HydrophobicContact CE1-CD2 4.3Å
201I97Very high95.2Very high15 Ų1556 Ų568%0.07731%0.309CS..Hα-helixtrans-63-52-179.2-69.5166.2000110.2M197 D198 K203 Q205 L226 K229 A230M197-I201 WeakPolarHBondContact O-CB 3.36Å; M197-I201 WeakPolarHBondContact O-CD1 3.28Å; M197-I201 WeakPolarHBondContact O-CG1 3.49Å; M197-I201 PolarHBondContact O-N 2.92Å; D198-I201 PolarHBondContact O-N 3.46Å; I201-K203 PolarHBondContact O-N 3.42Å; I201-Q205 HydrophobicContact CG2-CB 4.18Å; I201-Q205 WeakPolarHBondContact O-CB 3.47Å; I201-Q205 PolarHBondContact O-N 3.23Å; I201-L226 HydrophobicContact CD1-CD2 4.13Å; I201-L226 HydrophobicContact CG1-CD2 3.88Å; I201-K229 HydrophobicContact CD1-CB 3.61Å; I201-K229 HydrophobicContact CD1-CD 4.17Å; I201-A230 HydrophobicContact CD1-CB 4.11Å; I201-A230 HydrophobicContact CG1-CB 4.16Å; I201-A230 HydrophobicContact CG2-CB 4.25Å
202D96.6Very high95.6Very high144 Ų14458.6 Ų58.677%0.7731%0.308SS*.Hα-helixtrans-56.6-38.6-179.7-76.5-13.3000111.9D198D198-D202 WeakPolarHBondContact O-CB 3.5Å; D198-D202 VanDerWaalsContact O-CG 3.27Å; D198-D202 PolarHBondContact O-N 3.34Å
203K93.3Very high95.9Very high77 Ų7757.5 Ų57.534%0.33530%0.302SS..Hα-helixtrans-85.4-39.9-175.1-169168176.2-172.20113.8E169 R199 F200 I201E169-K203 WeakPolarHBondContact OE1-CE 3.48Å; E169-K203 IonicContact OE1-NZ 2.67Å; E169-K203 PolarHBondContact OE1-NZ 3.35Å; R199-K203 WeakPolarHBondContact O-CB 3.26Å; R199-K203 PolarHBondContact O-N 2.96Å; F200-K203 PolarHBondContact O-N 2.88Å; I201-K203 PolarHBondContact O-N 3.42Å
204Y95.2Very high96Very high13 Ų1358.7 Ų58.75%0.05130%0.304CS..Hα-helixtrans-117.1-16.3-167.8-53.7-70.3000115.4F149 H168 L172 F200 A206 T207 V208F149-Y204 AromaticContact CD2-CE2 3.51Å; F149-Y204 HydrophobicContact CD2-CE2 3.51Å; F149-Y204 AromaticContact CE2-CE2 3.92Å; F149-Y204 HydrophobicContact CE2-CE2 3.92Å; F149-Y204 HydrophobicContact CG-CE2 4.06Å; H168-Y204 AromaticContact CD2-CE1 3.99Å; H168-Y204 AromaticContact CD2-CZ 3.73Å; H168-Y204 PolarHBondContact CD2-OH 3.14Å; H168-Y204 AromaticContact NE2-CZ 3.68Å; H168-Y204 PolarHBondContact NE2-OH 2.86Å; L172-Y204 HydrophobicContact CD2-CD1 3.64Å; L172-Y204 HydrophobicContact CD2-CE1 4.01Å; F200-Y204 AromaticContact CD2-CD2 3.46Å; F200-Y204 HydrophobicContact CD2-CD2 3.46Å; F200-Y204 VanDerWaalsContact CD2-CD2 3.46Å; F200-Y204 AromaticContact CD2-CE2 4Å; F200-Y204 HydrophobicContact CD2-CE2 4Å; F200-Y204 HydrophobicContact CD2-CG 4.45Å; F200-Y204 AromaticContact CE2-CD2 3.64Å; F200-Y204 HydrophobicContact CE2-CD2 3.64Å; F200-Y204 HydrophobicContact CE2-CE2 4.38Å; F200-Y204 HydrophobicContact CE2-CG 4.25Å; F200-Y204 HydrophobicContact CG-CD2 4.08Å; F200-Y204 HydrophobicContact CZ-CD2 4.4Å; F200-Y204 VanDerWaalsContact O-CD2 3.3Å; F200-Y204 WeakPolarHBondContact O-CD2 3.4Å; F200-Y204 PolarHBondContact O-N 3.33Å; Y204-A206 VanDerWaalsContact C-N 3.29Å; Y204-A206 PolarHBondContact O-N 2.94Å; Y204-T207 PolarHBondContact O-N 2.78Å; Y204-T207 VanDerWaalsContact O-N 3.09Å; Y204-V208 WeakPolarHBondContact O-CB 3.46Å; Y204-V208 VanDerWaalsContact O-CG2 3.32Å; Y204-V208 WeakPolarHBondContact O-CG2 3.24Å; Y204-V208 PolarHBondContact O-N 3.04Å
205Q96.5Very high96.1Very high62 Ų6249.6 Ų49.629%0.2927%0.265SS..Hα-helixtrans-53.6-46.7-174.4179.8-174.8-83.300112.1I201 T207 V208 L209 L233I201-Q205 HydrophobicContact CG2-CB 4.18Å; I201-Q205 WeakPolarHBondContact O-CB 3.47Å; I201-Q205 PolarHBondContact O-N 3.23Å; Q205-T207 PolarHBondContact O-N 2.68Å; Q205-V208 PolarHBondContact O-N 3.09Å; Q205-L209 HydrophobicContact CG-CD1 3.92Å; Q205-L209 HydrophobicContact CG-CG 4.45Å; Q205-L209 WeakPolarHBondContact O-CB 3.18Å; Q205-L209 VanDerWaalsContact O-CG 3.29Å; Q205-L209 WeakPolarHBondContact O-CG 3.29Å; Q205-L209 PolarHBondContact O-N 3.44Å; Q205-L233 HydrophobicContact CG-CD1 4.25Å; Q205-L233 HydrophobicContact CG-CD2 4.07Å; Q205-L233 HydrophobicContact CG-CG 4.24Å
206A96.4Very high96Very high78 Ų7845.1 Ų45.165%0.64524%0.243SC*.Hα-helixtrans-61.8-45.5-179.400000111.9Y204 L209 A210Y204-A206 VanDerWaalsContact C-N 3.29Å; Y204-A206 PolarHBondContact O-N 2.94Å; A206-L209 PolarHBondContact O-N 3.48Å; A206-A210 VanDerWaalsContact O-CB 3.25Å; A206-A210 WeakPolarHBondContact O-CB 3.5Å; A206-A210 PolarHBondContact O-N 3.15Å
207T94.9Very high95.8Very high46 Ų4644.6 Ų44.628%0.28224%0.241SC..Hα-helixtrans-65.7-43.3178.8-550000111.9L172 N176 Y204 Q205 L209 A210 N211L172-T207 HydrophobicContact CD1-CG2 4.16Å; L172-T207 HydrophobicContact CD2-CG2 3.98Å; L172-T207 HydrophobicContact CG-CG2 4.2Å; N176-T207 VanDerWaalsContact ND2-CG2 3.33Å; N176-T207 WeakPolarHBondContact ND2-CG2 3.48Å; Y204-T207 PolarHBondContact O-N 2.78Å; Y204-T207 VanDerWaalsContact O-N 3.09Å; Q205-T207 PolarHBondContact O-N 2.68Å; T207-L209 PolarHBondContact O-N 2.92Å; T207-A210 PolarHBondContact O-N 2.89Å; T207-N211 PolarHBondContact O-N 3.35Å; T207-N211 PolarHBondContact O-ND2 3.49Å
208V96.5Very high95.5Very high2 Ų249.7 Ų49.71%0.01227%0.268CS..Hα-helixtrans-60.4-46.2178.2167.40000110.6I184 Y204 Q205 H212 H213 I215 L233I184-V208 HydrophobicContact CD1-CG2 4.06Å; Y204-V208 WeakPolarHBondContact O-CB 3.46Å; Y204-V208 VanDerWaalsContact O-CG2 3.32Å; Y204-V208 WeakPolarHBondContact O-CG2 3.24Å; Y204-V208 PolarHBondContact O-N 3.04Å; Q205-V208 PolarHBondContact O-N 3.09Å; V208-H212 PolarHBondContact O-N 3.33Å; V208-H212 VanDerWaalsContact O-N 3.11Å; V208-H213 HydrophobicContact CB-CB 4.37Å; V208-H213 HydrophobicContact CG1-CB 4.02Å; V208-H213 WeakPolarHBondContact CG1-O 3.49Å; V208-H213 HydrophobicContact CG2-CB 4.36Å; V208-H213 PolarHBondContact O-N 2.9Å; V208-I215 HydrophobicContact CG1-CD1 4.35Å; V208-I215 HydrophobicContact CG1-CG1 4.4Å; V208-L233 HydrophobicContact CB-CD2 4.04Å; V208-L233 HydrophobicContact CG1-CD2 3.5Å; V208-L233 VanDerWaalsContact CG1-CD2 3.5Å
209L96.5Very high95.2Very high64 Ų6448.7 Ų48.734%0.33526%0.263SS..Hα-helixtrans-67.2-43.4177.9-69.5174000112.3Q205 A206 T207 N211 H212 K232 L233Q205-L209 HydrophobicContact CG-CD1 3.92Å; Q205-L209 HydrophobicContact CG-CG 4.45Å; Q205-L209 WeakPolarHBondContact O-CB 3.18Å; Q205-L209 VanDerWaalsContact O-CG 3.29Å; Q205-L209 WeakPolarHBondContact O-CG 3.29Å; Q205-L209 PolarHBondContact O-N 3.44Å; A206-L209 PolarHBondContact O-N 3.48Å; T207-L209 PolarHBondContact O-N 2.92Å; L209-N211 VanDerWaalsContact C-N 3.32Å; L209-N211 PolarHBondContact O-N 2.93Å; L209-H212 PolarHBondContact O-N 3.38Å; L209-K232 HydrophobicContact CD1-CB 4.32Å; L209-K232 HydrophobicContact CD2-CB 4Å; L209-L233 HydrophobicContact CD2-CD2 3.92Å; L209-L233 HydrophobicContact CG-CD2 3.91Å
210A96.9Very high95Very high72 Ų7251.4 Ų51.460%0.59527%0.273SS*.Hα-helixtrans-66.4-32.1-177.400000113.2A206 T207A206-A210 VanDerWaalsContact O-CB 3.25Å; A206-A210 WeakPolarHBondContact O-CB 3.5Å; A206-A210 PolarHBondContact O-N 3.15Å; T207-A210 PolarHBondContact O-N 2.89Å
211N96.3Very high94.8Very high49 Ų4957.8 Ų57.826%0.26230%0.303SS..THydrogen-bonded Turntrans-106.311.4-177.6-61.6-81.5000113.1N176 T207 L209 H213N176-N211 VanDerWaalsContact OD1-CB 3.3Å; N176-N211 WeakPolarHBondContact OD1-CB 3.41Å; N176-N211 PolarHBondContact OD1-ND2 3.18Å; N176-N211 PolarHBondContact OD1-OD1 3.36Å; T207-N211 PolarHBondContact O-N 3.35Å; T207-N211 PolarHBondContact O-ND2 3.49Å; L209-N211 VanDerWaalsContact C-N 3.32Å; L209-N211 PolarHBondContact O-N 2.93Å; N211-H213 VanDerWaalsContact CB-CE1 3.49Å; N211-H213 WeakPolarHBondContact CB-CE1 3.31Å; N211-H213 PolarHBondContact O-N 3.17Å; N211-H213 VanDerWaalsContact O-N 3.14Å; N211-H213 PolarHBondContact O-ND1 3.28Å
212H96.3Very high94.7Very high129 Ų12957.3 Ų57.360%0.59730%0.301SS*.THydrogen-bonded Turntrans53.533.5179-54-74.2000114K181 V208 L209K181-H212 HydrophobicContact CD-CB 4.44Å; V208-H212 PolarHBondContact O-N 3.33Å; V208-H212 VanDerWaalsContact O-N 3.11Å; L209-H212 PolarHBondContact O-N 3.38Å
213H97.1Very high94.5Very high7 Ų750.5 Ų50.53%0.03226%0.264CS..  trans-69.2157.1170.7-56.3-24.2000109.9L172 N176 L182 I184 V208 N211L172-H213 VanDerWaalsContact CD1-NE2 3.33Å; L172-H213 WeakPolarHBondContact CD1-NE2 3.38Å; N176-H213 PolarHBondContact OD1-CE1 3.17Å; N176-H213 PolarHBondContact OD1-NE2 2.93Å; L182-H213 HydrophobicContact CB-CB 4.41Å; L182-H213 PolarHBondContact N-ND1 3.41Å; L182-H213 WeakPolarHBondContact O-CA 3.47Å; L182-H213 WeakPolarHBondContact O-CB 3.48Å; I184-H213 HydrophobicContact CD1-CB 4.19Å; V208-H213 HydrophobicContact CB-CB 4.37Å; V208-H213 HydrophobicContact CG1-CB 4.02Å; V208-H213 WeakPolarHBondContact CG1-O 3.49Å; V208-H213 HydrophobicContact CG2-CB 4.36Å; V208-H213 PolarHBondContact O-N 2.9Å; N211-H213 VanDerWaalsContact CB-CE1 3.49Å; N211-H213 WeakPolarHBondContact CB-CE1 3.31Å; N211-H213 PolarHBondContact O-N 3.17Å; N211-H213 VanDerWaalsContact O-N 3.14Å; N211-H213 PolarHBondContact O-ND1 3.28Å
214R96.7Very high94.4Very high42 Ų4248.6 Ų48.616%0.15826%0.263CS..EExtended strand (participates in β ladder)trans-117.9154.5176.4-68.7-179.8166.6156.2-4.1109.5Y136 L182 L183 I184 Y234 Y268Y136-R214 HydrophobicContact CE1-CB 4.32Å; Y136-R214 HydrophobicContact CE1-CG 3.85Å; Y136-R214 VanDerWaalsContact OH-CZ 3.27Å; Y136-R214 PolarHBondContact OH-NE 2.89Å; Y136-R214 PolarHBondContact OH-NH1 3.43Å; L182-R214 PolarHBondContact O-N 2.7Å; L183-R214 HydrophobicContact CD1-CB 3.74Å; I184-R214 PolarHBondContact N-O 2.92Å; R214-Y234 HydrophobicContact CB-CD1 4.08Å; R214-Y234 HydrophobicContact CG-CD1 3.63Å; R214-Y234 HydrophobicContact CG-CE1 4.27Å; R214-Y234 HydrophobicContact CG-CG 4.09Å; R214-Y268 VanDerWaalsContact CZ-OH 3.3Å; R214-Y268 PolarHBondContact NH1-OH 3.4Å
215I95.9Very high94.4Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-113.9136178.8-60.9167.6000109I184 I186 F200 V208 L226 L233 Y234 V235 I236I184-I215 CarbonylContact O-C 3.18Å; I184-I215 WeakPolarHBondContact O-CA 3.23Å; I186-I215 HydrophobicContact CD1-CG2 3.71Å; I186-I215 HydrophobicContact CG1-CG2 4.03Å; F200-I215 HydrophobicContact CE1-CD1 3.59Å; F200-I215 HydrophobicContact CE1-CG1 4.48Å; F200-I215 HydrophobicContact CZ-CD1 3.9Å; F200-I215 HydrophobicContact CZ-CG1 4.33Å; V208-I215 HydrophobicContact CG1-CD1 4.35Å; V208-I215 HydrophobicContact CG1-CG1 4.4Å; I215-L226 HydrophobicContact CD1-CD1 4.29Å; I215-L226 HydrophobicContact CD1-CD2 4.45Å; I215-L226 HydrophobicContact CG2-CD1 3.77Å; I215-L233 HydrophobicContact CD1-CB 4.22Å; I215-L233 HydrophobicContact CD1-CD1 3.71Å; I215-L233 HydrophobicContact CD1-CD2 4.26Å; I215-L233 HydrophobicContact CD1-CG 4.3Å; I215-Y234 PolarHBondContact N-O 3.48Å; I215-V235 CarbonylContact O-C 3.48Å; I215-V235 VanDerWaalsContact O-CA 3.27Å; I215-V235 WeakPolarHBondContact O-CA 3.49Å; I215-I236 PolarHBondContact O-N 2.93Å
216H91.9Very high94.3Very high3 Ų347 Ų471%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-118.6146.3171.6-177.9-161.5000108.2L183 I184 E185 I186 I236 T246 W270L183-H216 HydrophobicContact CD1-CB 3.97Å; L183-H216 HydrophobicContact CG-CB 4.23Å; I184-H216 PolarHBondContact O-N 2.94Å; E185-H216 CarbonylContact C-O 3.49Å; E185-H216 VanDerWaalsContact CA-O 3.24Å; E185-H216 WeakPolarHBondContact CA-O 3.47Å; E185-H216 HydrophobicContact CB-CB 4.28Å; E185-H216 HydrophobicContact CG-CB 4.4Å; E185-H216 IonicContact OE2-ND1 3.67Å; I186-H216 PolarHBondContact N-O 2.86Å; H216-I236 PolarHBondContact CD2-O 3.16Å; H216-T246 WeakPolarHBondContact NE2-CB 3.39Å; H216-T246 PolarHBondContact NE2-OG1 2.86Å; H216-T246 VanDerWaalsContact NE2-OG1 3.15Å; H216-W270 AromaticContact CE1-CZ3 3.88Å; H216-W270 AromaticContact ND1-CZ3 3.69Å
217S92.8Very high94.2Very high1 Ų145.3 Ų45.31%0.00724%0.235CC..  trans-156.3143.4163.1-173.40000108.8I186 D219 I236 F237I186-S217 WeakPolarHBondContact O-CB 3.35Å; I186-S217 PolarHBondContact O-OG 2.82Å; S217-D219 PolarHBondContact OG-N 3.1Å; S217-I236 PolarHBondContact N-O 3.22Å; S217-F237 WeakPolarHBondContact O-CD2 3.48Å; S217-F237 WeakPolarHBondContact O-CG 3.45Å
218L89.6Confident94.2Very high111 Ų11150.6 Ų50.658%0.58126%0.256SS*.SBendtrans-85.54.5170-62.8179.5000113F237L218-F237 VanDerWaalsContact CA-CE2 3.46Å; L218-F237 HydrophobicContact CB-CE2 4.44Å; L218-F237 WeakPolarHBondContact O-CE2 3.2Å
219D91.6Very high94.2Very high39 Ų3954.5 Ų54.521%0.20927%0.273CS..  trans-101.3117.8178.2-167.2-33.6000111.1T188 S217 H221 V222 V223T188-D219 WeakPolarHBondContact CB-OD2 3.49Å; T188-D219 HydrophobicContact CG2-CB 3.86Å; T188-D219 WeakPolarHBondContact CG2-OD2 3.37Å; T188-D219 PolarHBondContact OG1-OD2 3.06Å; S217-D219 PolarHBondContact OG-N 3.1Å; D219-H221 PolarHBondContact O-N 3.16Å; D219-H221 WeakPolarHBondContact OD1-CB 3.48Å; D219-H221 IonicContact OD1-CD2 2.66Å; D219-H221 IonicContact OD1-CG 3.25Å; D219-H221 PolarHBondContact OD1-N 3.42Å; D219-V222 HydrophobicContact CB-CB 4.16Å; D219-V222 HydrophobicContact CB-CG2 3.88Å; D219-V222 PolarHBondContact O-N 3.04Å; D219-V223 WeakPolarHBondContact O-CG2 3.45Å; D219-V223 PolarHBondContact O-N 3.32Å
220Y91.5Very high94.2Very high123 Ų12351.5 Ų51.548%0.48226%0.257SS..Hα-helixtrans-56.2-37.7176.7179.4-107.5000112.8V223 A224 F237 T240Y220-V223 PolarHBondContact O-N 3.22Å; Y220-A224 HydrophobicContact CE1-CB 4.35Å; Y220-A224 WeakPolarHBondContact O-CB 3.13Å; Y220-A224 PolarHBondContact O-N 3.31Å; Y220-F237 HydrophobicContact CD2-CD1 4.42Å; Y220-F237 AromaticContact CD2-CE1 3.95Å; Y220-F237 HydrophobicContact CD2-CE1 3.95Å; Y220-F237 HydrophobicContact CG-CE1 4.41Å; Y220-T240 HydrophobicContact CD2-CG2 3.84Å; Y220-T240 HydrophobicContact CE2-CG2 4.04Å
221H91.8Very high94.1Very high137 Ų13752.3 Ų52.363%0.63426%0.256SS*.Hα-helixtrans-67.1-40.7-177.6-65.2-67.2000111.4D219 V223 A224 E225D219-H221 PolarHBondContact O-N 3.16Å; D219-H221 WeakPolarHBondContact OD1-CB 3.48Å; D219-H221 IonicContact OD1-CD2 2.66Å; D219-H221 IonicContact OD1-CG 3.25Å; D219-H221 PolarHBondContact OD1-N 3.42Å; H221-V223 VanDerWaalsContact C-N 3.31Å; H221-V223 PolarHBondContact O-N 2.81Å; H221-A224 PolarHBondContact O-N 3.43Å; H221-E225 VanDerWaalsContact O-CB 3.26Å; H221-E225 WeakPolarHBondContact O-CB 3.4Å; H221-E225 PolarHBondContact O-N 2.92Å
222V94Very high94Very high4 Ų458.3 Ų58.32%0.02428%0.28CS..Hα-helixtrans-58.5-46.5173.6168.70000110.3I186 T188 M196 M197 D219 E225 L226I186-V222 HydrophobicContact CB-CG1 4.13Å; I186-V222 HydrophobicContact CD1-CG1 3.96Å; I186-V222 HydrophobicContact CG2-CG1 4.08Å; I186-V222 HydrophobicContact CG2-CG2 4.18Å; T188-V222 HydrophobicContact CG2-CG2 3.4Å; M196-V222 HydrophobicContact CE-CG2 4.46Å; M197-V222 HydrophobicContact SD-CB 4.24Å; M197-V222 HydrophobicContact SD-CG1 3.74Å; M197-V222 HydrophobicContact SD-CG2 3.98Å; D219-V222 HydrophobicContact CB-CB 4.16Å; D219-V222 HydrophobicContact CB-CG2 3.88Å; D219-V222 PolarHBondContact O-N 3.04Å; V222-E225 PolarHBondContact O-N 3.47Å; V222-L226 HydrophobicContact CG1-CD1 3.77Å; V222-L226 HydrophobicContact CG1-CG 4.39Å; V222-L226 WeakPolarHBondContact O-CB 3.37Å; V222-L226 VanDerWaalsContact O-CG 3.24Å; V222-L226 WeakPolarHBondContact O-CG 3.44Å; V222-L226 PolarHBondContact O-N 3.25Å
223V92.5Very high93.9Very high1 Ų152.2 Ų52.21%0.00625%0.252CS..Hα-helixtrans-66.7-45.4-177.6175.80000111.2D219 Y220 H221 K227 V235 F237 A242D219-V223 WeakPolarHBondContact O-CG2 3.45Å; D219-V223 PolarHBondContact O-N 3.32Å; Y220-V223 PolarHBondContact O-N 3.22Å; H221-V223 VanDerWaalsContact C-N 3.31Å; H221-V223 PolarHBondContact O-N 2.81Å; V223-K227 WeakPolarHBondContact O-CB 3.33Å; V223-K227 VanDerWaalsContact O-CG 3.31Å; V223-K227 WeakPolarHBondContact O-CG 3.42Å; V223-K227 PolarHBondContact O-N 2.97Å; V223-V235 HydrophobicContact CB-CG1 4.34Å; V223-V235 HydrophobicContact CG1-CG1 4.05Å; V223-V235 HydrophobicContact CG2-CG1 3.95Å; V223-F237 HydrophobicContact CB-CB 4.27Å; V223-F237 HydrophobicContact CB-CD1 4.17Å; V223-F237 HydrophobicContact CG1-CB 4.14Å; V223-F237 HydrophobicContact CG1-CD1 4.36Å; V223-F237 HydrophobicContact CG2-CB 3.34Å; V223-F237 HydrophobicContact CG2-CD1 3.75Å; V223-F237 HydrophobicContact CG2-CG 3.64Å; V223-A242 HydrophobicContact CG1-CB 4.15Å
224A92.3Very high93.7Very high38 Ų3854 Ų5431%0.31426%0.259SS..Hα-helixtrans-60.8-46.1177.800000111.3Y220 H221 K227 E228Y220-A224 HydrophobicContact CE1-CB 4.35Å; Y220-A224 WeakPolarHBondContact O-CB 3.13Å; Y220-A224 PolarHBondContact O-N 3.31Å; H221-A224 PolarHBondContact O-N 3.43Å; A224-K227 PolarHBondContact O-N 2.9Å; A224-E228 WeakPolarHBondContact O-CB 3.31Å; A224-E228 PolarHBondContact O-N 2.96Å
225E94.3Very high93.4Very high41 Ų4152 Ų5219%0.19225%0.251CS..Hα-helixtrans-67.5-41.6-179.3-172169.6-175.800112.4M197 H221 V222 K227 E228 K229M197-E225 HydrophobicContact CB-CG 3.91Å; M197-E225 WeakPolarHBondContact CB-OE1 3.4Å; M197-E225 VanDerWaalsContact CB-OE2 3.31Å; M197-E225 WeakPolarHBondContact CB-OE2 3.39Å; M197-E225 HydrophobicContact CG-CB 4.48Å; M197-E225 HydrophobicContact CG-CG 4.31Å; M197-E225 VanDerWaalsContact CG-OE2 3.25Å; M197-E225 WeakPolarHBondContact CG-OE2 3.34Å; H221-E225 VanDerWaalsContact O-CB 3.26Å; H221-E225 WeakPolarHBondContact O-CB 3.4Å; H221-E225 PolarHBondContact O-N 2.92Å; V222-E225 PolarHBondContact O-N 3.47Å; E225-K227 VanDerWaalsContact C-N 3.32Å; E225-K227 PolarHBondContact O-N 2.97Å; E225-E228 PolarHBondContact O-N 2.72Å; E225-K229 HydrophobicContact CG-CD 3.72Å; E225-K229 HydrophobicContact CG-CG 4.29Å; E225-K229 WeakPolarHBondContact O-CB 3.2Å; E225-K229 PolarHBondContact O-N 2.83Å; E225-K229 WeakPolarHBondContact OE1-CE 3.09Å; E225-K229 IonicContact OE1-NZ 3.61Å; E225-K229 PolarHBondContact OE1-NZ 2.99Å
226L95.1Very high93Very high0 Ų052 Ų520%025%0.251CS..Hα-helixtrans-62.6-39.2172.7-72.6171.2000111.7I186 F200 I201 I215 V222 A230 L233 V235I186-L226 HydrophobicContact CD1-CD1 4.14Å; F200-L226 HydrophobicContact CD1-CD2 4.18Å; F200-L226 HydrophobicContact CE1-CD2 4.3Å; I201-L226 HydrophobicContact CD1-CD2 4.13Å; I201-L226 HydrophobicContact CG1-CD2 3.88Å; I215-L226 HydrophobicContact CD1-CD1 4.29Å; I215-L226 HydrophobicContact CD1-CD2 4.45Å; I215-L226 HydrophobicContact CG2-CD1 3.77Å; V222-L226 HydrophobicContact CG1-CD1 3.77Å; V222-L226 HydrophobicContact CG1-CG 4.39Å; V222-L226 WeakPolarHBondContact O-CB 3.37Å; V222-L226 VanDerWaalsContact O-CG 3.24Å; V222-L226 WeakPolarHBondContact O-CG 3.44Å; V222-L226 PolarHBondContact O-N 3.25Å; L226-A230 CarbonylContact O-C 3.52Å; L226-A230 WeakPolarHBondContact O-CA 3.41Å; L226-A230 WeakPolarHBondContact O-CB 3.12Å; L226-A230 PolarHBondContact O-N 3.33Å; L226-L233 HydrophobicContact CD2-CD1 3.92Å; L226-V235 HydrophobicContact CB-CG2 4.05Å; L226-V235 HydrophobicContact CD1-CG1 4.33Å; L226-V235 HydrophobicContact CD1-CG2 4.05Å
227K93.7Very high92.5Very high43 Ų4353.2 Ų53.219%0.18726%0.256CS..Hα-helixtrans-70.8-30.4177.5-73.3-49.5-171-170.40113.6V223 A224 E225 L233 N243V223-K227 WeakPolarHBondContact O-CB 3.33Å; V223-K227 VanDerWaalsContact O-CG 3.31Å; V223-K227 WeakPolarHBondContact O-CG 3.42Å; V223-K227 PolarHBondContact O-N 2.97Å; A224-K227 PolarHBondContact O-N 2.9Å; E225-K227 VanDerWaalsContact C-N 3.32Å; E225-K227 PolarHBondContact O-N 2.97Å; K227-L233 PolarHBondContact NZ-O 2.73Å; K227-N243 PolarHBondContact NZ-OD1 3.36Å
228E94.5Very high91.6Very high156 Ų15654.5 Ų54.573%0.72927%0.265SS*.Hα-helixtrans-75-54173.6-176.5-179.6176.700111.7A224 E225A224-E228 WeakPolarHBondContact O-CB 3.31Å; A224-E228 PolarHBondContact O-N 2.96Å; E225-E228 PolarHBondContact O-N 2.72Å
229K96.7Very high90.6Very high84 Ų8456.2 Ų56.237%0.36527%0.27SS..Hα-helixtrans-86.7-27.7-169.5-63.1-176.2178.6-179.80113.6D198 I201 E225D198-K229 VanDerWaalsContact CG-NZ 3.28Å; D198-K229 WeakPolarHBondContact OD1-CD 3.32Å; D198-K229 IonicContact OD1-NZ 3.24Å; D198-K229 PolarHBondContact OD1-NZ 3.17Å; D198-K229 IonicContact OD2-NZ 3.34Å; D198-K229 PolarHBondContact OD2-NZ 3.41Å; I201-K229 HydrophobicContact CD1-CB 3.61Å; I201-K229 HydrophobicContact CD1-CD 4.17Å; E225-K229 HydrophobicContact CG-CD 3.72Å; E225-K229 HydrophobicContact CG-CG 4.29Å; E225-K229 WeakPolarHBondContact O-CB 3.2Å; E225-K229 PolarHBondContact O-N 2.83Å; E225-K229 WeakPolarHBondContact OE1-CE 3.09Å; E225-K229 IonicContact OE1-NZ 3.61Å; E225-K229 PolarHBondContact OE1-NZ 2.99Å
230A96.1Very high89.9Confident2 Ų255.1 Ų55.12%0.01727%0.265CS..  trans-138.955.6-172.300000112.9I201 L226 K232 L233I201-A230 HydrophobicContact CD1-CB 4.11Å; I201-A230 HydrophobicContact CG1-CB 4.16Å; I201-A230 HydrophobicContact CG2-CB 4.25Å; L226-A230 CarbonylContact O-C 3.52Å; L226-A230 WeakPolarHBondContact O-CA 3.41Å; L226-A230 WeakPolarHBondContact O-CB 3.12Å; L226-A230 PolarHBondContact O-N 3.33Å; A230-K232 PolarHBondContact O-N 2.9Å; A230-L233 HydrophobicContact CB-CD1 3.43Å; A230-L233 VanDerWaalsContact CB-CD1 3.43Å; A230-L233 HydrophobicContact CB-CG 3.93Å; A230-L233 WeakPolarHBondContact O-CB 3.28Å; A230-L233 PolarHBondContact O-N 3.34Å
231P94.3Very high89.2Confident88 Ų8853.5 Ų53.557%0.57127%0.269SS*.THydrogen-bonded Turntrans-61-19.6-167.423.3-35.6000115.5L233P231-L233 VanDerWaalsContact C-N 3.29Å
232K94.6Very high88.8Confident175 Ų17547 Ų4776%0.76124%0.239SC*.THydrogen-bonded Turntrans-73.5-20.2176.3-65.3-174.7-179.4179.60113.1L209 A230 Y234L209-K232 HydrophobicContact CD1-CB 4.32Å; L209-K232 HydrophobicContact CD2-CB 4Å; A230-K232 PolarHBondContact O-N 2.9Å; K232-Y234 PolarHBondContact O-N 2.96Å
233L94.7Very high88.6Confident1 Ų149.4 Ų49.41%0.00525%0.252CS..SBendtrans-67.4132.4177.3-65.8176.2000109.7Q205 V208 L209 I215 L226 K227 A230 P231 V235Q205-L233 HydrophobicContact CG-CD1 4.25Å; Q205-L233 HydrophobicContact CG-CD2 4.07Å; Q205-L233 HydrophobicContact CG-CG 4.24Å; V208-L233 HydrophobicContact CB-CD2 4.04Å; V208-L233 HydrophobicContact CG1-CD2 3.5Å; V208-L233 VanDerWaalsContact CG1-CD2 3.5Å; L209-L233 HydrophobicContact CD2-CD2 3.92Å; L209-L233 HydrophobicContact CG-CD2 3.91Å; I215-L233 HydrophobicContact CD1-CB 4.22Å; I215-L233 HydrophobicContact CD1-CD1 3.71Å; I215-L233 HydrophobicContact CD1-CD2 4.26Å; I215-L233 HydrophobicContact CD1-CG 4.3Å; L226-L233 HydrophobicContact CD2-CD1 3.92Å; K227-L233 PolarHBondContact NZ-O 2.73Å; A230-L233 HydrophobicContact CB-CD1 3.43Å; A230-L233 VanDerWaalsContact CB-CD1 3.43Å; A230-L233 HydrophobicContact CB-CG 3.93Å; A230-L233 WeakPolarHBondContact O-CB 3.28Å; A230-L233 PolarHBondContact O-N 3.34Å; P231-L233 VanDerWaalsContact C-N 3.29Å; L233-V235 HydrophobicContact CB-CG2 4.26Å; L233-V235 PolarHBondContact O-N 2.96Å
234Y93.2Very high88.6Confident45 Ų4549.4 Ų49.418%0.17625%0.252CS..  trans-79.2115172.4-170.9-75.5000108.3R214 I215 K232 I236 N243 A244 D266R214-Y234 HydrophobicContact CB-CD1 4.08Å; R214-Y234 HydrophobicContact CG-CD1 3.63Å; R214-Y234 HydrophobicContact CG-CE1 4.27Å; R214-Y234 HydrophobicContact CG-CG 4.09Å; I215-Y234 PolarHBondContact N-O 3.48Å; K232-Y234 PolarHBondContact O-N 2.96Å; Y234-I236 HydrophobicContact CD1-CG1 4.16Å; Y234-I236 HydrophobicContact CE1-CD1 4.05Å; Y234-I236 HydrophobicContact CE1-CG1 3.81Å; Y234-N243 WeakPolarHBondContact CA-OD1 3.4Å; Y234-N243 HydrophobicContact CD1-CB 4.16Å; Y234-N243 HydrophobicContact CD2-CB 3.69Å; Y234-N243 HydrophobicContact CE1-CB 3.98Å; Y234-N243 HydrophobicContact CE2-CB 3.49Å; Y234-N243 VanDerWaalsContact CE2-CB 3.49Å; Y234-N243 HydrophobicContact CG-CB 4.03Å; Y234-A244 HydrophobicContact CE1-CB 4.03Å; Y234-A244 WeakPolarHBondContact OH-CB 3.36Å; Y234-D266 WeakPolarHBondContact OH-CB 3.46Å; Y234-D266 PolarHBondContact OH-OD2 3.27Å
235V90.6Very high88.6Confident0 Ų049 Ų490%024%0.243CC..EExtended strand (participates in β ladder)trans-121.1138.9-174.1-174.20000109.6I215 V223 L226 L233 A242 N243 A244I215-V235 CarbonylContact O-C 3.48Å; I215-V235 VanDerWaalsContact O-CA 3.27Å; I215-V235 WeakPolarHBondContact O-CA 3.49Å; V223-V235 HydrophobicContact CB-CG1 4.34Å; V223-V235 HydrophobicContact CG1-CG1 4.05Å; V223-V235 HydrophobicContact CG2-CG1 3.95Å; L226-V235 HydrophobicContact CB-CG2 4.05Å; L226-V235 HydrophobicContact CD1-CG1 4.33Å; L226-V235 HydrophobicContact CD1-CG2 4.05Å; L233-V235 HydrophobicContact CB-CG2 4.26Å; L233-V235 PolarHBondContact O-N 2.96Å; V235-A242 WeakPolarHBondContact O-CB 3.36Å; V235-N243 PolarHBondContact N-OD1 3.46Å; V235-N243 PolarHBondContact O-N 3.01Å; V235-A244 PolarHBondContact O-N 3.26Å
236I86.6Confident88.3Confident0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-114.8126179.5-42.8-168.7000109.2L183 I215 H216 S217 Y234 A244 T246 Y268L183-I236 HydrophobicContact CD1-CD1 3.63Å; L183-I236 HydrophobicContact CD1-CG1 4.36Å; I215-I236 PolarHBondContact O-N 2.93Å; H216-I236 PolarHBondContact CD2-O 3.16Å; S217-I236 PolarHBondContact N-O 3.22Å; Y234-I236 HydrophobicContact CD1-CG1 4.16Å; Y234-I236 HydrophobicContact CE1-CD1 4.05Å; Y234-I236 HydrophobicContact CE1-CG1 3.81Å; I236-A244 CarbonylContact C-O 3.01Å; I236-A244 WeakPolarHBondContact CA-O 3.49Å; I236-A244 HydrophobicContact CB-CB 4.26Å; I236-A244 HydrophobicContact CD1-CB 4.34Å; I236-A244 HydrophobicContact CG1-CB 4.02Å; I236-A244 HydrophobicContact CG2-CB 3.74Å; I236-A244 WeakPolarHBondContact CG2-O 3.11Å; I236-T246 WeakPolarHBondContact CG2-OG1 3.28Å; I236-Y268 HydrophobicContact CD1-CD1 3.94Å; I236-Y268 HydrophobicContact CD1-CD2 4.07Å; I236-Y268 HydrophobicContact CD1-CE1 3.66Å; I236-Y268 HydrophobicContact CD1-CE2 3.85Å; I236-Y268 HydrophobicContact CD1-CG 4.16Å; I236-Y268 HydrophobicContact CG2-CD2 4.46Å
237F82.8Confident88Confident28 Ų2849 Ų4912%0.12324%0.243CC..  trans-168.4131.4170.9-177.9-127000111.9S217 L218 Y220 V223 T240 A242 A244 Y245S217-F237 WeakPolarHBondContact O-CD2 3.48Å; S217-F237 WeakPolarHBondContact O-CG 3.45Å; L218-F237 VanDerWaalsContact CA-CE2 3.46Å; L218-F237 HydrophobicContact CB-CE2 4.44Å; L218-F237 WeakPolarHBondContact O-CE2 3.2Å; Y220-F237 HydrophobicContact CD2-CD1 4.42Å; Y220-F237 AromaticContact CD2-CE1 3.95Å; Y220-F237 HydrophobicContact CD2-CE1 3.95Å; Y220-F237 HydrophobicContact CG-CE1 4.41Å; V223-F237 HydrophobicContact CB-CB 4.27Å; V223-F237 HydrophobicContact CB-CD1 4.17Å; V223-F237 HydrophobicContact CG1-CB 4.14Å; V223-F237 HydrophobicContact CG1-CD1 4.36Å; V223-F237 HydrophobicContact CG2-CB 3.34Å; V223-F237 HydrophobicContact CG2-CD1 3.75Å; V223-F237 HydrophobicContact CG2-CG 3.64Å; F237-T240 HydrophobicContact CD1-CG2 3.08Å; F237-T240 HydrophobicContact CE1-CG2 3.34Å; F237-T240 HydrophobicContact CG-CG2 4.14Å; F237-T240 PolarHBondContact O-OG1 2.83Å; F237-A242 HydrophobicContact CB-CB 4.21Å; F237-A244 PolarHBondContact N-O 3.06Å; F237-Y245 VanDerWaalsContact O-CD1 3.24Å; F237-Y245 WeakPolarHBondContact O-CD1 3.42Å
238P73.9Confident87.8Confident29 Ų2952 Ų5219%0.18826%0.258CS..THydrogen-bonded Turntrans-50.3132.5-176-36.742.3000117.3T240 T246 M247P238-T240 VanDerWaalsContact C-N 3.28Å; P238-T240 WeakPolarHBondContact O-CG2 3.46Å; P238-T240 PolarHBondContact O-N 3.23Å; P238-T246 WeakPolarHBondContact CG-O 3.21Å; P238-M247 HydrophobicContact CB-SD 3.7Å; P238-M247 HydrophobicContact CG-SD 3.66Å
239Q67.7Low87.5Confident147 Ų14746.1 Ų46.169%0.68723%0.231SC*.THydrogen-bonded Turntrans56.835.6167.9-53.8-173.617.400114.6
240T77Confident87.1Confident16 Ų1647.3 Ų47.310%0.09825%0.245CC..SBendtrans-129.3179.1-177.368.70000113.4Y220 F237 P238 A242Y220-T240 HydrophobicContact CD2-CG2 3.84Å; Y220-T240 HydrophobicContact CE2-CG2 4.04Å; F237-T240 HydrophobicContact CD1-CG2 3.08Å; F237-T240 HydrophobicContact CE1-CG2 3.34Å; F237-T240 HydrophobicContact CG-CG2 4.14Å; F237-T240 PolarHBondContact O-OG1 2.83Å; P238-T240 VanDerWaalsContact C-N 3.28Å; P238-T240 WeakPolarHBondContact O-CG2 3.46Å; P238-T240 PolarHBondContact O-N 3.23Å; T240-A242 PolarHBondContact O-N 3.06Å; T240-A242 WeakPolarHBondContact OG1-CB 3.28Å; T240-A242 PolarHBondContact OG1-N 3.32Å
241P77.3Confident86.6Confident89 Ų8950.7 Ų50.758%0.57827%0.265SS*.SBendtrans-63.90.3170.3-22.935.4000115.2
242A83.4Confident86.4Confident0 Ų046.5 Ų46.50%024%0.238CC..SBendtrans-50.2159.6172.600000113V223 V235 F237 T240 A244 K265V223-A242 HydrophobicContact CG1-CB 4.15Å; V235-A242 WeakPolarHBondContact O-CB 3.36Å; F237-A242 HydrophobicContact CB-CB 4.21Å; T240-A242 PolarHBondContact O-N 3.06Å; T240-A242 WeakPolarHBondContact OG1-CB 3.28Å; T240-A242 PolarHBondContact OG1-N 3.32Å; A242-A244 VanDerWaalsContact C-N 3.26Å; A242-A244 WeakPolarHBondContact CB-O 3Å; A242-K265 VanDerWaalsContact O-CD 3.3Å; A242-K265 WeakPolarHBondContact O-CD 3.25Å; A242-K265 WeakPolarHBondContact O-CE 3.48Å; A242-K265 PolarHBondContact O-NZ 2.86Å
243N90.3Very high86Confident55 Ų5540.6 Ų40.629%0.29422%0.217SC..SBendtrans-71.6-26.6174.5-6393.4000112.2K227 Y234 V235 K265 D266K227-N243 PolarHBondContact NZ-OD1 3.36Å; Y234-N243 WeakPolarHBondContact CA-OD1 3.4Å; Y234-N243 HydrophobicContact CD1-CB 4.16Å; Y234-N243 HydrophobicContact CD2-CB 3.69Å; Y234-N243 HydrophobicContact CE1-CB 3.98Å; Y234-N243 HydrophobicContact CE2-CB 3.49Å; Y234-N243 VanDerWaalsContact CE2-CB 3.49Å; Y234-N243 HydrophobicContact CG-CB 4.03Å; V235-N243 PolarHBondContact N-OD1 3.46Å; V235-N243 PolarHBondContact O-N 3.01Å; N243-K265 WeakPolarHBondContact O-CA 3.38Å; N243-D266 PolarHBondContact O-N 3.44Å
244A91.9Very high85.5Confident0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-147.7163.4-173.500000111.4Y234 V235 I236 F237 A242 D266 Y268Y234-A244 HydrophobicContact CE1-CB 4.03Å; Y234-A244 WeakPolarHBondContact OH-CB 3.36Å; V235-A244 PolarHBondContact O-N 3.26Å; I236-A244 CarbonylContact C-O 3.01Å; I236-A244 WeakPolarHBondContact CA-O 3.49Å; I236-A244 HydrophobicContact CB-CB 4.26Å; I236-A244 HydrophobicContact CD1-CB 4.34Å; I236-A244 HydrophobicContact CG1-CB 4.02Å; I236-A244 HydrophobicContact CG2-CB 3.74Å; I236-A244 WeakPolarHBondContact CG2-O 3.11Å; F237-A244 PolarHBondContact N-O 3.06Å; A242-A244 VanDerWaalsContact C-N 3.26Å; A242-A244 WeakPolarHBondContact CB-O 3Å; A244-D266 CarbonylContact C-O 3.57Å; A244-D266 WeakPolarHBondContact CA-O 3.25Å; A244-D266 HydrophobicContact CB-CB 3.77Å; A244-D266 VanDerWaalsContact CB-O 3.26Å; A244-D266 WeakPolarHBondContact CB-O 3.45Å; A244-Y268 HydrophobicContact CB-CD2 4.03Å; A244-Y268 HydrophobicContact CB-CE2 3.77Å
245Y91.4Very high84.9Confident31 Ų3140.8 Ų40.812%0.12222%0.222CC..EExtended strand (participates in β ladder)trans-113.5133176.1-57.6-30000109.9F237 F256 A260 K265 D266 V267 Y268F237-Y245 VanDerWaalsContact O-CD1 3.24Å; F237-Y245 WeakPolarHBondContact O-CD1 3.42Å; Y245-F256 HydrophobicContact CD2-CE1 4.34Å; Y245-F256 AromaticContact CD2-CZ 3.83Å; Y245-F256 HydrophobicContact CD2-CZ 3.83Å; Y245-F256 HydrophobicContact CG-CZ 4.35Å; Y245-A260 HydrophobicContact CD2-CB 3.88Å; Y245-A260 HydrophobicContact CE2-CB 4.1Å; Y245-K265 HydrophobicContact CD2-CB 4.21Å; Y245-K265 HydrophobicContact CE1-CD 4.5Å; Y245-K265 HydrophobicContact CE1-CG 4.34Å; Y245-K265 HydrophobicContact CE2-CB 3.92Å; Y245-K265 HydrophobicContact CE2-CG 3.89Å; Y245-D266 PolarHBondContact N-O 2.84Å; Y245-V267 CarbonylContact O-C 3.48Å; Y245-V267 WeakPolarHBondContact O-CA 3.44Å; Y245-Y268 PolarHBondContact O-N 2.91Å
246T88.8Confident84.8Confident9 Ų942.5 Ų42.56%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-106120169.2-53.40000109.1H216 I236 P238 Y268 W270H216-T246 WeakPolarHBondContact NE2-CB 3.39Å; H216-T246 PolarHBondContact NE2-OG1 2.86Å; H216-T246 VanDerWaalsContact NE2-OG1 3.15Å; I236-T246 WeakPolarHBondContact CG2-OG1 3.28Å; P238-T246 WeakPolarHBondContact CG-O 3.21Å; T246-Y268 CarbonylContact C-O 3.56Å; T246-Y268 WeakPolarHBondContact CA-O 3.39Å; T246-W270 HydrophobicContact CG2-CB 3.7Å; T246-W270 HydrophobicContact CG2-CD2 4.34Å; T246-W270 HydrophobicContact CG2-CE3 3.91Å; T246-W270 HydrophobicContact CG2-CG 4.29Å
247M88.9Confident84.9Confident31 Ų3142.6 Ų42.615%0.15323%0.23CC..EExtended strand (participates in β ladder)trans-125.6148.5-177.7-61.3-66.4-64.200110.8P238 E249 L252 F256 Y268 W270P238-M247 HydrophobicContact CB-SD 3.7Å; P238-M247 HydrophobicContact CG-SD 3.66Å; M247-E249 PolarHBondContact O-N 3.49Å; M247-L252 HydrophobicContact CB-CD1 4.21Å; M247-L252 HydrophobicContact CB-CD2 3.59Å; M247-L252 HydrophobicContact CB-CG 3.71Å; M247-L252 HydrophobicContact CG-CD2 3.86Å; M247-F256 HydrophobicContact CE-CE2 4.48Å; M247-F256 HydrophobicContact CE-CZ 4.37Å; M247-F256 HydrophobicContact CG-CE1 3.65Å; M247-F256 HydrophobicContact CG-CZ 3.66Å; M247-F256 HydrophobicContact SD-CE1 4.48Å; M247-F256 HydrophobicContact SD-CE2 4.47Å; M247-F256 HydrophobicContact SD-CZ 3.9Å; M247-Y268 PolarHBondContact N-O 3.44Å; M247-W270 PolarHBondContact O-N 2.81Å
248E90Very high84.9Confident105 Ų10545.8 Ų45.849%0.49124%0.241SC..EExtended strand (participates in β ladder)trans-59.5134.4167.2-70.7-69.4165.500109.4T250 T251 L252 W270E248-T250 VanDerWaalsContact C-N 3.25Å; E248-T250 PolarHBondContact O-N 2.91Å; E248-T251 HydrophobicContact CB-CG2 4.19Å; E248-T251 PolarHBondContact O-N 3.41Å; E248-T251 PolarHBondContact O-OG1 3.32Å; E248-L252 PolarHBondContact O-N 3.46Å; E248-W270 CarbonylContact C-O 3.54Å; E248-W270 WeakPolarHBondContact CA-O 3.15Å
249E88.2Confident85.4Confident34 Ų3451.4 Ų51.416%0.15926%0.259CS..G310 helixtrans-58.8-36.4-170.671.379.2-157.300113.4M247 T251 L252 W270 V272 R280 M281M247-E249 PolarHBondContact O-N 3.49Å; E249-T251 PolarHBondContact O-N 2.91Å; E249-L252 PolarHBondContact O-N 3.22Å; E249-L252 VanDerWaalsContact O-N 3.15Å; E249-W270 PolarHBondContact N-O 2.79Å; E249-V272 HydrophobicContact CB-CG2 3.83Å; E249-V272 HydrophobicContact CG-CG2 4.26Å; E249-R280 PolarHBondContact O-NH1 3.36Å; E249-M281 HydrophobicContact CB-CE 4.06Å; E249-M281 HydrophobicContact CB-CG 4.39Å; E249-M281 HydrophobicContact CB-SD 4Å
250T86.4Confident86.5Confident108 Ų10844.6 Ų44.666%0.66323%0.227SC*.G310 helixtrans-62.9-22.4175.5560000113.9E248E248-T250 VanDerWaalsContact C-N 3.25Å; E248-T250 PolarHBondContact O-N 2.91Å
251T87.5Confident87Confident73 Ų7346.8 Ų46.845%0.44824%0.236SC..G310 helixtrans-94.6-9.8-179.367.90000113.2E248 E249E248-T251 HydrophobicContact CB-CG2 4.19Å; E248-T251 PolarHBondContact O-N 3.41Å; E248-T251 PolarHBondContact O-OG1 3.32Å; E249-T251 PolarHBondContact O-N 2.91Å
252L89.4Confident87.4Confident0 Ų048.8 Ų48.80%024%0.238CC..  trans-79.2134.3-178.6-77.4171.4000111.3M247 E248 E249 F256 V257 V267 A269 R280 M281 L284 V286M247-L252 HydrophobicContact CB-CD1 4.21Å; M247-L252 HydrophobicContact CB-CD2 3.59Å; M247-L252 HydrophobicContact CB-CG 3.71Å; M247-L252 HydrophobicContact CG-CD2 3.86Å; E248-L252 PolarHBondContact O-N 3.46Å; E249-L252 PolarHBondContact O-N 3.22Å; E249-L252 VanDerWaalsContact O-N 3.15Å; L252-F256 HydrophobicContact CD2-CD1 3.54Å; L252-F256 HydrophobicContact CD2-CE1 3.75Å; L252-V257 HydrophobicContact CD2-CG2 4.31Å; L252-V267 HydrophobicContact CD1-CG1 4.4Å; L252-V267 HydrophobicContact CD2-CG1 3.59Å; L252-A269 HydrophobicContact CD1-CB 3.68Å; L252-R280 PolarHBondContact O-NH1 3.29Å; L252-R280 VanDerWaalsContact O-NH1 3.16Å; L252-R280 PolarHBondContact O-NH2 3.23Å; L252-M281 HydrophobicContact CB-CE 4.35Å; L252-M281 HydrophobicContact CB-SD 4.28Å; L252-M281 HydrophobicContact CD1-SD 3.55Å; L252-M281 VanDerWaalsContact CD1-SD 3.55Å; L252-L284 HydrophobicContact CB-CD1 4.07Å; L252-V286 HydrophobicContact CD1-CG1 4.1Å
253T87Confident87.6Confident52 Ų5251.4 Ų51.432%0.31926%0.259SS..  trans-129.5158.5174.759.30000110.8D255 F256 V257 D325T253-D255 VanDerWaalsContact C-N 3.28Å; T253-D255 PolarHBondContact O-N 2.68Å; T253-F256 PolarHBondContact O-N 3.28Å; T253-F256 WeakPolarHBondContact OG1-CB 3.41Å; T253-F256 PolarHBondContact OG1-N 3.34Å; T253-V257 WeakPolarHBondContact O-CG2 3.22Å; T253-V257 PolarHBondContact O-N 3.36Å; T253-D325 WeakPolarHBondContact CA-OD2 2.97Å; T253-D325 WeakPolarHBondContact CB-OD2 3.41Å; T253-D325 HydrophobicContact CG2-CB 4.47Å
254S82.5Confident87.5Confident9 Ų955.6 Ų55.66%0.06328%0.282CS..Hα-helixtrans-59.6-38.7176.155.10000112.3V257 R258 P322 D325S254-V257 PolarHBondContact O-N 3.48Å; S254-R258 VanDerWaalsContact O-CB 3.31Å; S254-R258 WeakPolarHBondContact O-CB 3.31Å; S254-R258 PolarHBondContact O-N 2.93Å; S254-P322 WeakPolarHBondContact OG-CA 3.33Å; S254-D325 PolarHBondContact N-OD2 3.27Å
255D82.2Confident87.5Confident40 Ų4057.6 Ų57.621%0.21429%0.291CS..Hα-helixtrans-65.3-41.4175.8-171.558.2000112T253 R258 R259T253-D255 VanDerWaalsContact C-N 3.28Å; T253-D255 PolarHBondContact O-N 2.68Å; D255-R258 PolarHBondContact O-N 3.21Å; D255-R258 IonicContact OD1-CZ 2.79Å; D255-R258 IonicContact OD1-NE 3.28Å; D255-R258 IonicContact OD1-NH2 2.99Å; D255-R258 PolarHBondContact OD1-NH2 3.02Å; D255-R259 WeakPolarHBondContact O-CG 3.12Å; D255-R259 PolarHBondContact O-N 3.45Å; D255-R259 IonicContact OD1-CZ 3.4Å; D255-R259 IonicContact OD1-NE 3.67Å; D255-R259 PolarHBondContact OD1-NE 3Å; D255-R259 IonicContact OD1-NH2 3.45Å; D255-R259 IonicContact OD2-CZ 2.63Å; D255-R259 VanDerWaalsContact OD2-CZ 3.24Å; D255-R259 IonicContact OD2-NE 3.85Å; D255-R259 PolarHBondContact OD2-NE 3.5Å; D255-R259 IonicContact OD2-NH2 3.74Å; D255-R259 PolarHBondContact OD2-NH2 2.83Å
256F87.2Confident87.6Confident36 Ų3658.5 Ų58.516%0.15830%0.297CS..Hα-helixtrans-61.2-49.2175.8177.7-89.6000111.5Y245 M247 L252 T253 R258 R259 A260 V267Y245-F256 HydrophobicContact CD2-CE1 4.34Å; Y245-F256 AromaticContact CD2-CZ 3.83Å; Y245-F256 HydrophobicContact CD2-CZ 3.83Å; Y245-F256 HydrophobicContact CG-CZ 4.35Å; M247-F256 HydrophobicContact CE-CE2 4.48Å; M247-F256 HydrophobicContact CE-CZ 4.37Å; M247-F256 HydrophobicContact CG-CE1 3.65Å; M247-F256 HydrophobicContact CG-CZ 3.66Å; M247-F256 HydrophobicContact SD-CE1 4.48Å; M247-F256 HydrophobicContact SD-CE2 4.47Å; M247-F256 HydrophobicContact SD-CZ 3.9Å; L252-F256 HydrophobicContact CD2-CD1 3.54Å; L252-F256 HydrophobicContact CD2-CE1 3.75Å; T253-F256 PolarHBondContact O-N 3.28Å; T253-F256 WeakPolarHBondContact OG1-CB 3.41Å; T253-F256 PolarHBondContact OG1-N 3.34Å; F256-R258 VanDerWaalsContact C-N 3.35Å; F256-R258 PolarHBondContact O-N 3Å; F256-R259 PolarHBondContact O-N 3.4Å; F256-A260 WeakPolarHBondContact O-CB 3.46Å; F256-A260 PolarHBondContact O-N 2.85Å; F256-V267 HydrophobicContact CE1-CG1 4.1Å; F256-V267 HydrophobicContact CE1-CG2 4.24Å
257V88.3Confident87.9Confident3 Ų358 Ų582%0.01830%0.295CS..Hα-helixtrans-62-44.7-179.6179.10000110.7L252 T253 S254 R259 A260 H261 V267 L284 V286L252-V257 HydrophobicContact CD2-CG2 4.31Å; T253-V257 WeakPolarHBondContact O-CG2 3.22Å; T253-V257 PolarHBondContact O-N 3.36Å; S254-V257 PolarHBondContact O-N 3.48Å; V257-R259 PolarHBondContact O-N 3.44Å; V257-A260 WeakPolarHBondContact O-CB 3.49Å; V257-A260 PolarHBondContact O-N 2.93Å; V257-H261 VanDerWaalsContact CG1-CE1 3.41Å; V257-H261 WeakPolarHBondContact CG1-CE1 3.22Å; V257-H261 PolarHBondContact O-N 2.9Å; V257-V267 HydrophobicContact CG1-CG2 4.39Å; V257-V267 HydrophobicContact CG2-CG1 4.22Å; V257-L284 VanDerWaalsContact CG1-O 3.29Å; V257-L284 WeakPolarHBondContact CG1-O 3.44Å; V257-L284 HydrophobicContact CG2-CB 4.38Å; V257-V286 HydrophobicContact CG2-CG1 4.21Å
258R83.2Confident88.2Confident95 Ų9556.6 Ų56.636%0.35829%0.288SS..Hα-helixtrans-58.3-48.6176.6-177.7-177.265103.9-8.9112.2S254 D255 F256 A260 H261 E262S254-R258 VanDerWaalsContact O-CB 3.31Å; S254-R258 WeakPolarHBondContact O-CB 3.31Å; S254-R258 PolarHBondContact O-N 2.93Å; D255-R258 PolarHBondContact O-N 3.21Å; D255-R258 IonicContact OD1-CZ 2.79Å; D255-R258 IonicContact OD1-NE 3.28Å; D255-R258 IonicContact OD1-NH2 2.99Å; D255-R258 PolarHBondContact OD1-NH2 3.02Å; F256-R258 VanDerWaalsContact C-N 3.35Å; F256-R258 PolarHBondContact O-N 3Å; R258-A260 VanDerWaalsContact C-N 3.3Å; R258-A260 PolarHBondContact O-N 3.41Å; R258-H261 PolarHBondContact O-N 3.2Å; R258-E262 HydrophobicContact CG-CG 4.48Å; R258-E262 IonicContact CZ-OE1 2.73Å; R258-E262 IonicContact NH1-OE1 2.68Å; R258-E262 PolarHBondContact NH1-OE1 3.29Å; R258-E262 IonicContact NH1-OE2 2.9Å; R258-E262 WeakPolarHBondContact O-CB 3.26Å; R258-E262 WeakPolarHBondContact O-CG 3.45Å; R258-E262 PolarHBondContact O-N 2.86Å
259R85.2Confident88.4Confident147 Ų14751.6 Ų51.656%0.55526%0.264SS*.Hα-helixtrans-64.1-36178.5-71.7-177.4-159.9-119.54.1112.3D255 F256 V257 A263D255-R259 WeakPolarHBondContact O-CG 3.12Å; D255-R259 PolarHBondContact O-N 3.45Å; D255-R259 IonicContact OD1-CZ 3.4Å; D255-R259 IonicContact OD1-NE 3.67Å; D255-R259 PolarHBondContact OD1-NE 3Å; D255-R259 IonicContact OD1-NH2 3.45Å; D255-R259 IonicContact OD2-CZ 2.63Å; D255-R259 VanDerWaalsContact OD2-CZ 3.24Å; D255-R259 IonicContact OD2-NE 3.85Å; D255-R259 PolarHBondContact OD2-NE 3.5Å; D255-R259 IonicContact OD2-NH2 3.74Å; D255-R259 PolarHBondContact OD2-NH2 2.83Å; F256-R259 PolarHBondContact O-N 3.4Å; V257-R259 PolarHBondContact O-N 3.44Å; R259-A263 WeakPolarHBondContact O-CB 2.99Å; R259-A263 PolarHBondContact O-N 3.25Å
260A89.8Confident88.6Confident3 Ų351.4 Ų51.43%0.02526%0.262CS..Hα-helixtrans-62.9-47.4174.300000110.7Y245 F256 V257 R258 A263 N264 K265 V267Y245-A260 HydrophobicContact CD2-CB 3.88Å; Y245-A260 HydrophobicContact CE2-CB 4.1Å; F256-A260 WeakPolarHBondContact O-CB 3.46Å; F256-A260 PolarHBondContact O-N 2.85Å; V257-A260 WeakPolarHBondContact O-CB 3.49Å; V257-A260 PolarHBondContact O-N 2.93Å; R258-A260 VanDerWaalsContact C-N 3.3Å; R258-A260 PolarHBondContact O-N 3.41Å; A260-A263 CarbonylContact O-C 3.57Å; A260-A263 WeakPolarHBondContact O-CA 3.4Å; A260-A263 WeakPolarHBondContact O-CB 3.39Å; A260-A263 PolarHBondContact O-N 3.03Å; A260-A263 VanDerWaalsContact O-N 3.09Å; A260-N264 PolarHBondContact O-N 3.21Å; A260-K265 CarbonylContact C-O 3.48Å; A260-K265 HydrophobicContact CB-CB 4.2Å; A260-K265 WeakPolarHBondContact O-CA 3.48Å; A260-K265 WeakPolarHBondContact O-CB 3.14Å; A260-K265 PolarHBondContact O-N 3.44Å; A260-V267 HydrophobicContact CB-CG2 3.36Å
261H87.8Confident89Confident62 Ų6247.7 Ų47.729%0.28724%0.24SC..Hα-helixtrans-63.4-41.4176-66.7171.2000112.9V257 R258 A263 N264 K265 N285 N287V257-H261 VanDerWaalsContact CG1-CE1 3.41Å; V257-H261 WeakPolarHBondContact CG1-CE1 3.22Å; V257-H261 PolarHBondContact O-N 2.9Å; R258-H261 PolarHBondContact O-N 3.2Å; H261-A263 PolarHBondContact O-N 3.27Å; H261-N264 WeakPolarHBondContact O-CA 3.3Å; H261-N264 PolarHBondContact O-N 3.45Å; H261-K265 PolarHBondContact CD2-O 2.94Å; H261-N285 PolarHBondContact CE1-O 2.83Å; H261-N287 PolarHBondContact NE2-OD1 3.03Å
262E85.1Confident89.4Confident131 Ų13144.3 Ų44.361%0.61222%0.218SC*.Hα-helixtrans-59.4-32.8172.5-74.6173.3-176.400111.9R258 N264R258-E262 HydrophobicContact CG-CG 4.48Å; R258-E262 IonicContact CZ-OE1 2.73Å; R258-E262 IonicContact NH1-OE1 2.68Å; R258-E262 PolarHBondContact NH1-OE1 3.29Å; R258-E262 IonicContact NH1-OE2 2.9Å; R258-E262 WeakPolarHBondContact O-CB 3.26Å; R258-E262 WeakPolarHBondContact O-CG 3.45Å; R258-E262 PolarHBondContact O-N 2.86Å; E262-N264 VanDerWaalsContact C-N 3.25Å; E262-N264 PolarHBondContact O-N 2.89Å
263A87.8Confident89.6Confident55 Ų5547.5 Ų47.546%0.45524%0.236SC..THydrogen-bonded Turntrans-84.88.317300000113.8R259 A260 H261 K265R259-A263 WeakPolarHBondContact O-CB 2.99Å; R259-A263 PolarHBondContact O-N 3.25Å; A260-A263 CarbonylContact O-C 3.57Å; A260-A263 WeakPolarHBondContact O-CA 3.4Å; A260-A263 WeakPolarHBondContact O-CB 3.39Å; A260-A263 PolarHBondContact O-N 3.03Å; A260-A263 VanDerWaalsContact O-N 3.09Å; H261-A263 PolarHBondContact O-N 3.27Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 HydrophobicContact CB-CG 4Å; A263-K265 PolarHBondContact O-N 2.75Å
264N89Confident90Very high144 Ų14448.5 Ų48.577%0.7724%0.239SC*.THydrogen-bonded Turntrans54.944.9-176.2-16459.6000112.6A260 H261 E262A260-N264 PolarHBondContact O-N 3.21Å; H261-N264 WeakPolarHBondContact O-CA 3.3Å; H261-N264 PolarHBondContact O-N 3.45Å; E262-N264 VanDerWaalsContact C-N 3.25Å; E262-N264 PolarHBondContact O-N 2.89Å
265K91.6Very high90.4Very high42 Ų4249.6 Ų49.618%0.18325%0.249CC..  trans-116.8128.2177.9-53.9-63-178.3-1780109.9A242 N243 Y245 A260 H261 A263A242-K265 VanDerWaalsContact O-CD 3.3Å; A242-K265 WeakPolarHBondContact O-CD 3.25Å; A242-K265 WeakPolarHBondContact O-CE 3.48Å; A242-K265 PolarHBondContact O-NZ 2.86Å; N243-K265 WeakPolarHBondContact O-CA 3.38Å; Y245-K265 HydrophobicContact CD2-CB 4.21Å; Y245-K265 HydrophobicContact CE1-CD 4.5Å; Y245-K265 HydrophobicContact CE1-CG 4.34Å; Y245-K265 HydrophobicContact CE2-CB 3.92Å; Y245-K265 HydrophobicContact CE2-CG 3.89Å; A260-K265 CarbonylContact C-O 3.48Å; A260-K265 HydrophobicContact CB-CB 4.2Å; A260-K265 WeakPolarHBondContact O-CA 3.48Å; A260-K265 WeakPolarHBondContact O-CB 3.14Å; A260-K265 PolarHBondContact O-N 3.44Å; H261-K265 PolarHBondContact CD2-O 2.94Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 HydrophobicContact CB-CG 4Å; A263-K265 PolarHBondContact O-N 2.75Å
266D93.9Very high90.7Very high49 Ų4954.1 Ų54.126%0.26227%0.273SS..EExtended strand (participates in β ladder)trans-74.1154.3172.2-61.1-30.3000110.2Y234 N243 A244 Y245 Y268 N287Y234-D266 WeakPolarHBondContact OH-CB 3.46Å; Y234-D266 PolarHBondContact OH-OD2 3.27Å; N243-D266 PolarHBondContact O-N 3.44Å; A244-D266 CarbonylContact C-O 3.57Å; A244-D266 WeakPolarHBondContact CA-O 3.25Å; A244-D266 HydrophobicContact CB-CB 3.77Å; A244-D266 VanDerWaalsContact CB-O 3.26Å; A244-D266 WeakPolarHBondContact CB-O 3.45Å; Y245-D266 PolarHBondContact N-O 2.84Å; D266-Y268 HydrophobicContact CB-CD2 4.46Å; D266-Y268 HydrophobicContact CB-CE2 3.8Å; D266-N287 VanDerWaalsContact CA-OD1 3.23Å; D266-N287 WeakPolarHBondContact CA-OD1 3.24Å; D266-N287 HydrophobicContact CB-CB 3.79Å
267V94.1Very high91Very high0 Ų053.2 Ų53.20%027%0.271CS..EExtended strand (participates in β ladder)trans-122.9131.1179.2-177.40000110.8Y245 L252 F256 V257 A260 V286 N287 G288Y245-V267 CarbonylContact O-C 3.48Å; Y245-V267 WeakPolarHBondContact O-CA 3.44Å; L252-V267 HydrophobicContact CD1-CG1 4.4Å; L252-V267 HydrophobicContact CD2-CG1 3.59Å; F256-V267 HydrophobicContact CE1-CG1 4.1Å; F256-V267 HydrophobicContact CE1-CG2 4.24Å; V257-V267 HydrophobicContact CG1-CG2 4.39Å; V257-V267 HydrophobicContact CG2-CG1 4.22Å; A260-V267 HydrophobicContact CB-CG2 3.36Å; V267-V286 HydrophobicContact CG1-CG1 4.28Å; V267-N287 PolarHBondContact N-OD1 3.23Å; V267-N287 WeakPolarHBondContact O-CA 3.26Å; V267-N287 PolarHBondContact O-N 3.42Å; V267-G288 PolarHBondContact O-N 2.79Å
268Y95.6Very high91.2Very high1 Ų153.1 Ų53.10%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-118.5127.7-178.7-70-123.5000108.3I108 R214 I236 A244 Y245 T246 M247 D266 G288I108-Y268 HydrophobicContact CD1-CD1 3.44Å; I108-Y268 VanDerWaalsContact CD1-CD1 3.44Å; I108-Y268 HydrophobicContact CD1-CE1 3.5Å; I108-Y268 VanDerWaalsContact CD1-CE1 3.5Å; R214-Y268 VanDerWaalsContact CZ-OH 3.3Å; R214-Y268 PolarHBondContact NH1-OH 3.4Å; I236-Y268 HydrophobicContact CD1-CD1 3.94Å; I236-Y268 HydrophobicContact CD1-CD2 4.07Å; I236-Y268 HydrophobicContact CD1-CE1 3.66Å; I236-Y268 HydrophobicContact CD1-CE2 3.85Å; I236-Y268 HydrophobicContact CD1-CG 4.16Å; I236-Y268 HydrophobicContact CG2-CD2 4.46Å; A244-Y268 HydrophobicContact CB-CD2 4.03Å; A244-Y268 HydrophobicContact CB-CE2 3.77Å; Y245-Y268 PolarHBondContact O-N 2.91Å; T246-Y268 CarbonylContact C-O 3.56Å; T246-Y268 WeakPolarHBondContact CA-O 3.39Å; M247-Y268 PolarHBondContact N-O 3.44Å; D266-Y268 HydrophobicContact CB-CD2 4.46Å; D266-Y268 HydrophobicContact CB-CE2 3.8Å; Y268-G288 CarbonylContact C-O 3.6Å; Y268-G288 VanDerWaalsContact CA-O 3.28Å; Y268-G288 WeakPolarHBondContact CA-O 3.49Å
269A95.6Very high91.4Very high0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-90.5134175.300000110.5L252 V272 M281 V286 G288 I289 V290L252-A269 HydrophobicContact CD1-CB 3.68Å; A269-V272 HydrophobicContact CB-CG2 3.73Å; A269-M281 HydrophobicContact CB-CB 4.33Å; A269-M281 HydrophobicContact CB-CG 3.63Å; A269-M281 HydrophobicContact CB-SD 3.46Å; A269-M281 WeakPolarHBondContact CB-SD 3.44Å; A269-V286 HydrophobicContact CB-CG1 4.5Å; A269-V286 HydrophobicContact CB-CG2 4.35Å; A269-G288 PolarHBondContact N-O 2.88Å; A269-I289 HydrophobicContact CB-CG1 4.43Å; A269-V290 PolarHBondContact O-N 3.08Å
270W91.8Very high91.5Very high29 Ų2945.6 Ų45.611%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-134147.9-178.1-171.7-73.1000110.3H110 E138 E185 H216 T246 M247 E248 E249 V290H110-W270 AromaticContact CD2-CH2 3.81Å; H110-W270 AromaticContact CD2-CZ2 3.46Å; H110-W270 VanDerWaalsContact CD2-CZ2 3.46Å; H110-W270 WeakPolarHBondContact CD2-CZ2 3.47Å; H110-W270 AromaticContact NE2-CE2 4Å; H110-W270 AromaticContact NE2-CZ2 3.29Å; H110-W270 VanDerWaalsContact NE2-CZ2 3.29Å; H110-W270 WeakPolarHBondContact NE2-CZ2 3.43Å; E138-W270 VanDerWaalsContact CD-CH2 3.45Å; E138-W270 HydrophobicContact CG-CH2 3.49Å; E138-W270 VanDerWaalsContact CG-CH2 3.49Å; E138-W270 HydrophobicContact CG-CZ3 3.6Å; E185-W270 WeakPolarHBondContact OE2-CH2 3.21Å; H216-W270 AromaticContact CE1-CZ3 3.88Å; H216-W270 AromaticContact ND1-CZ3 3.69Å; T246-W270 HydrophobicContact CG2-CB 3.7Å; T246-W270 HydrophobicContact CG2-CD2 4.34Å; T246-W270 HydrophobicContact CG2-CE3 3.91Å; T246-W270 HydrophobicContact CG2-CG 4.29Å; M247-W270 PolarHBondContact O-N 2.81Å; E248-W270 CarbonylContact C-O 3.54Å; E248-W270 WeakPolarHBondContact CA-O 3.15Å; E249-W270 PolarHBondContact N-O 2.79Å; W270-V290 HydrophobicContact CD2-CB 4.16Å; W270-V290 HydrophobicContact CD2-CG1 4.07Å; W270-V290 HydrophobicContact CD2-CG2 4.43Å; W270-V290 HydrophobicContact CE3-CB 3.74Å; W270-V290 HydrophobicContact CE3-CG1 3.69Å; W270-V290 HydrophobicContact CE3-CG2 3.56Å; W270-V290 HydrophobicContact CH2-CG1 4.21Å; W270-V290 HydrophobicContact CZ3-CB 4.26Å; W270-V290 HydrophobicContact CZ3-CG1 3.79Å; W270-V290 HydrophobicContact CZ3-CG2 3.96Å
271T93.8Very high91.6Very high31 Ų3145.5 Ų45.519%0.1924%0.244CC..  cis-88.6132.2-45.6-50.70000107.1H110 N273 V290H110-T271 HydrophobicContact CB-CG2 4.39Å; T271-N273 WeakPolarHBondContact CG2-OD1 3.43Å; T271-V290 CarbonylContact C-O 3.53Å; T271-V290 WeakPolarHBondContact CA-O 3.42Å; T271-V290 WeakPolarHBondContact CG2-O 3.24Å
272V95.8Very high91.7Very high1 Ų142.6 Ų42.61%0.00623%0.231CC..  trans-108.6107.9-172.4-168.10000109.6E249 A269 S277 M278 M281 I289 V290 T291E249-V272 HydrophobicContact CB-CG2 3.83Å; E249-V272 HydrophobicContact CG-CG2 4.26Å; A269-V272 HydrophobicContact CB-CG2 3.73Å; V272-S277 VanDerWaalsContact CG1-C 3.49Å; V272-M278 HydrophobicContact CG1-CB 4.35Å; V272-M278 HydrophobicContact CG1-CG 3.73Å; V272-M278 WeakPolarHBondContact O-CE 3.42Å; V272-M281 HydrophobicContact CG1-CG 4.27Å; V272-M281 HydrophobicContact CG2-CG 3.87Å; V272-I289 HydrophobicContact CB-CG2 3.69Å; V272-I289 HydrophobicContact CG1-CG2 4.41Å; V272-I289 HydrophobicContact CG2-CG2 3.74Å; V272-V290 PolarHBondContact N-O 3.32Å; V272-T291 WeakPolarHBondContact O-CB 3.2Å; V272-T291 PolarHBondContact O-OG1 3.33Å
273N95.3Very high91.5Very high68 Ų6836.6 Ų36.636%0.36420%0.203SC..  trans-120.96.9-166.8-72.3-19.6000114.5T271 T291 D292T271-N273 WeakPolarHBondContact CG2-OD1 3.43Å; N273-T291 PolarHBondContact OD1-OG1 2.82Å; N273-D292 PolarHBondContact ND2-OD2 3.24Å; N273-D292 PolarHBondContact OD1-N 3.17Å
274D93.9Very high91.5Very high72 Ų7234.3 Ų34.339%0.38518%0.183SC..SBendtrans-132.6151.4175.871.888000111.3D276 S277 M278D274-D276 VanDerWaalsContact C-N 3.32Å; D274-D276 PolarHBondContact O-N 2.86Å; D274-D276 PolarHBondContact OD1-N 3.04Å; D274-S277 PolarHBondContact O-N 3.41Å; D274-S277 WeakPolarHBondContact OD1-CB 3.31Å; D274-S277 PolarHBondContact OD1-N 2.81Å; D274-S277 PolarHBondContact OD1-OG 3.4Å; D274-S277 VanDerWaalsContact OD2-CB 3.26Å; D274-S277 WeakPolarHBondContact OD2-CB 3.29Å; D274-S277 PolarHBondContact OD2-OG 2.81Å; D274-M278 VanDerWaalsContact O-CG 3.24Å; D274-M278 WeakPolarHBondContact O-CG 3.26Å; D274-M278 PolarHBondContact O-N 2.8Å
275A91.8Very high91.4Very high33 Ų3328.3 Ų28.327%0.27315%0.151SC..Hα-helixtrans-62.3-35.7-172.600000113.5M278 D279 T296 Q300A275-M278 PolarHBondContact O-N 3.48Å; A275-D279 WeakPolarHBondContact O-CB 3.38Å; A275-D279 PolarHBondContact O-N 2.75Å; A275-T296 HydrophobicContact CB-CG2 4.23Å; A275-Q300 HydrophobicContact CB-CG 4.35Å
276D89Confident91.4Very high134 Ų13426.3 Ų26.372%0.71714%0.143SC*.Hα-helixtrans-68.9-43.1-179.1-69.9-22.7000110.4D274 D279 R280D274-D276 VanDerWaalsContact C-N 3.32Å; D274-D276 PolarHBondContact O-N 2.86Å; D274-D276 PolarHBondContact OD1-N 3.04Å; D276-D279 PolarHBondContact O-N 3.49Å; D276-R280 WeakPolarHBondContact O-CB 3.38Å; D276-R280 PolarHBondContact O-N 2.98Å
277S91.9Very high91.5Very high18 Ų1825.1 Ų25.113%0.12614%0.136CC..Hα-helixtrans-66.2-37.5174.4-57.20000111.9V272 D274 R280 M281V272-S277 VanDerWaalsContact CG1-C 3.49Å; D274-S277 PolarHBondContact O-N 3.41Å; D274-S277 WeakPolarHBondContact OD1-CB 3.31Å; D274-S277 PolarHBondContact OD1-N 2.81Å; D274-S277 PolarHBondContact OD1-OG 3.4Å; D274-S277 VanDerWaalsContact OD2-CB 3.26Å; D274-S277 WeakPolarHBondContact OD2-CB 3.29Å; D274-S277 PolarHBondContact OD2-OG 2.81Å; S277-R280 WeakPolarHBondContact O-CB 3.49Å; S277-R280 PolarHBondContact O-N 3.32Å; S277-M281 VanDerWaalsContact O-CG 3.31Å; S277-M281 WeakPolarHBondContact O-CG 3.33Å; S277-M281 PolarHBondContact O-N 3.4Å
278M92.7Very high91.6Very high0 Ų025.1 Ų25.10%014%0.136CC..Hα-helixtrans-60.8-50.2173.2-68.6167.9-177.800111.1V272 D274 A275 R280 M281 V282 D293 T296 L297 Q300V272-M278 HydrophobicContact CG1-CB 4.35Å; V272-M278 HydrophobicContact CG1-CG 3.73Å; V272-M278 WeakPolarHBondContact O-CE 3.42Å; D274-M278 VanDerWaalsContact O-CG 3.24Å; D274-M278 WeakPolarHBondContact O-CG 3.26Å; D274-M278 PolarHBondContact O-N 2.8Å; A275-M278 PolarHBondContact O-N 3.48Å; M278-R280 VanDerWaalsContact C-N 3.27Å; M278-R280 PolarHBondContact O-N 2.75Å; M278-M281 PolarHBondContact O-N 2.64Å; M278-M281 VanDerWaalsContact O-N 3.15Å; M278-V282 VanDerWaalsContact O-CG2 3.23Å; M278-V282 WeakPolarHBondContact O-CG2 3.41Å; M278-V282 PolarHBondContact O-N 2.84Å; M278-D293 HydrophobicContact CE-CB 4.24Å; M278-D293 WeakPolarHBondContact CE-O 3.3Å; M278-T296 HydrophobicContact CE-CG2 4.28Å; M278-T296 HydrophobicContact SD-CG2 3.78Å; M278-L297 HydrophobicContact CB-CD1 4.28Å; M278-L297 HydrophobicContact CE-CB 3.94Å; M278-L297 HydrophobicContact CG-CD1 4.01Å; M278-L297 WeakPolarHBondContact SD-CA 3.19Å; M278-L297 HydrophobicContact SD-CB 3.92Å; M278-L297 HydrophobicContact SD-CD1 4.31Å; M278-L297 PolarHBondContact SD-N 2.98Å; M278-Q300 HydrophobicContact CB-CB 4.35Å; M278-Q300 HydrophobicContact CB-CG 4.08Å; M278-Q300 HydrophobicContact SD-CG 4.15Å
279D88.2Confident91.7Very high36 Ų3625.1 Ų25.119%0.19314%0.136CC..Hα-helixtrans-57-42.1175.7-101.2-0.3000111.6A275 D276 S283 Q300 K312A275-D279 WeakPolarHBondContact O-CB 3.38Å; A275-D279 PolarHBondContact O-N 2.75Å; D276-D279 PolarHBondContact O-N 3.49Å; D279-S283 VanDerWaalsContact O-CB 3.31Å; D279-S283 WeakPolarHBondContact O-CB 3.46Å; D279-S283 PolarHBondContact O-N 3.32Å; D279-S283 PolarHBondContact O-OG 2.79Å; D279-Q300 PolarHBondContact OD1-OE1 3.48Å; D279-K312 IonicContact OD2-NZ 3.87Å; D279-K312 PolarHBondContact OD2-NZ 3.12Å
280R87.2Confident91.8Very high49 Ų4925.1 Ų25.119%0.18514%0.136CC..Hα-helixtrans-60.5-51.1175.1-173.4179.4178.7-96.9-8.1110.7E249 L252 D276 S277 M278 V282 S283 L284 D325E249-R280 PolarHBondContact O-NH1 3.36Å; L252-R280 PolarHBondContact O-NH1 3.29Å; L252-R280 VanDerWaalsContact O-NH1 3.16Å; L252-R280 PolarHBondContact O-NH2 3.23Å; D276-R280 WeakPolarHBondContact O-CB 3.38Å; D276-R280 PolarHBondContact O-N 2.98Å; S277-R280 WeakPolarHBondContact O-CB 3.49Å; S277-R280 PolarHBondContact O-N 3.32Å; M278-R280 VanDerWaalsContact C-N 3.27Å; M278-R280 PolarHBondContact O-N 2.75Å; R280-V282 PolarHBondContact O-N 2.84Å; R280-S283 CarbonylContact O-C 3.54Å; R280-S283 WeakPolarHBondContact O-CA 3.24Å; R280-S283 WeakPolarHBondContact O-CB 3.33Å; R280-S283 PolarHBondContact O-N 2.81Å; R280-S283 VanDerWaalsContact O-N 3.09Å; R280-S283 PolarHBondContact O-OG 2.84Å; R280-L284 HydrophobicContact CG-CD1 4.44Å; R280-L284 HydrophobicContact CG-CG 4.48Å; R280-L284 WeakPolarHBondContact O-CG 3.22Å; R280-L284 PolarHBondContact O-N 2.76Å; R280-D325 IonicContact NH2-OD1 3.36Å; R280-D325 PolarHBondContact NH2-OD1 3.35Å
281M91.8Very high92Very high0 Ų023.7 Ų23.70%013%0.131CC..Hα-helixtrans-61.7-42.4-178.8-71.1-52.8106.800112.8E249 L252 A269 V272 S277 M278 S283 L284 N285 V286 I289E249-M281 HydrophobicContact CB-CE 4.06Å; E249-M281 HydrophobicContact CB-CG 4.39Å; E249-M281 HydrophobicContact CB-SD 4Å; L252-M281 HydrophobicContact CB-CE 4.35Å; L252-M281 HydrophobicContact CB-SD 4.28Å; L252-M281 HydrophobicContact CD1-SD 3.55Å; L252-M281 VanDerWaalsContact CD1-SD 3.55Å; A269-M281 HydrophobicContact CB-CB 4.33Å; A269-M281 HydrophobicContact CB-CG 3.63Å; A269-M281 HydrophobicContact CB-SD 3.46Å; A269-M281 WeakPolarHBondContact CB-SD 3.44Å; V272-M281 HydrophobicContact CG1-CG 4.27Å; V272-M281 HydrophobicContact CG2-CG 3.87Å; S277-M281 VanDerWaalsContact O-CG 3.31Å; S277-M281 WeakPolarHBondContact O-CG 3.33Å; S277-M281 PolarHBondContact O-N 3.4Å; M278-M281 PolarHBondContact O-N 2.64Å; M278-M281 VanDerWaalsContact O-N 3.15Å; M281-S283 VanDerWaalsContact C-N 3.31Å; M281-S283 PolarHBondContact O-N 3.32Å; M281-L284 HydrophobicContact CE-CD1 3.72Å; M281-L284 PolarHBondContact O-N 3.11Å; M281-L284 HydrophobicContact SD-CD1 4.34Å; M281-N285 PolarHBondContact O-N 2.88Å; M281-V286 HydrophobicContact CB-CG2 3.94Å; M281-V286 WeakPolarHBondContact O-CG2 3.27Å; M281-V286 PolarHBondContact O-N 3Å; M281-V286 HydrophobicContact SD-CG1 4.17Å; M281-I289 HydrophobicContact CB-CD1 3.67Å; M281-I289 HydrophobicContact CB-CG1 4.05Å
282V89.1Confident92.2Very high2 Ų224.1 Ų24.11%0.01213%0.132CC..Hα-helixtrans-62.4-41.9174.1-1760000109.9P105 M278 R280 L284 N285 I289 I301 Y304P105-V282 HydrophobicContact CG-CG2 3.92Å; M278-V282 VanDerWaalsContact O-CG2 3.23Å; M278-V282 WeakPolarHBondContact O-CG2 3.41Å; M278-V282 PolarHBondContact O-N 2.84Å; R280-V282 PolarHBondContact O-N 2.84Å; V282-L284 VanDerWaalsContact C-N 3.33Å; V282-L284 PolarHBondContact O-N 2.94Å; V282-N285 PolarHBondContact O-N 3.4Å; V282-I289 HydrophobicContact CG2-CD1 3.89Å; V282-I301 HydrophobicContact CG2-CG1 4.23Å; V282-Y304 HydrophobicContact CB-CD2 4.25Å; V282-Y304 HydrophobicContact CB-CE2 4.48Å; V282-Y304 HydrophobicContact CG1-CD1 3.77Å; V282-Y304 HydrophobicContact CG1-CD2 3.23Å; V282-Y304 HydrophobicContact CG1-CE1 3.96Å; V282-Y304 HydrophobicContact CG1-CE2 3.45Å; V282-Y304 VanDerWaalsContact CG1-CE2 3.45Å; V282-Y304 HydrophobicContact CG1-CG 3.44Å; V282-Y304 VanDerWaalsContact CG1-CG 3.44Å
283S82.5Confident92.2Very high5 Ų525.4 Ų25.44%0.03514%0.139CC..Hα-helixtrans-64.5-35176.781.30000113D279 R280 M281 N285 R320D279-S283 VanDerWaalsContact O-CB 3.31Å; D279-S283 WeakPolarHBondContact O-CB 3.46Å; D279-S283 PolarHBondContact O-N 3.32Å; D279-S283 PolarHBondContact O-OG 2.79Å; R280-S283 CarbonylContact O-C 3.54Å; R280-S283 WeakPolarHBondContact O-CA 3.24Å; R280-S283 WeakPolarHBondContact O-CB 3.33Å; R280-S283 PolarHBondContact O-N 2.81Å; R280-S283 VanDerWaalsContact O-N 3.09Å; R280-S283 PolarHBondContact O-OG 2.84Å; M281-S283 VanDerWaalsContact C-N 3.31Å; M281-S283 PolarHBondContact O-N 3.32Å; S283-N285 PolarHBondContact O-N 2.92Å; S283-R320 WeakPolarHBondContact O-CG 3.34Å; S283-R320 PolarHBondContact O-NE 3.41Å
284L86Confident92.4Very high7 Ų722.2 Ų22.24%0.03712%0.121CC..THydrogen-bonded Turntrans-70.6-7.2173.9-69.1-176.2000113.3L252 V257 R280 M281 V282 V286L252-L284 HydrophobicContact CB-CD1 4.07Å; V257-L284 VanDerWaalsContact CG1-O 3.29Å; V257-L284 WeakPolarHBondContact CG1-O 3.44Å; V257-L284 HydrophobicContact CG2-CB 4.38Å; R280-L284 HydrophobicContact CG-CD1 4.44Å; R280-L284 HydrophobicContact CG-CG 4.48Å; R280-L284 WeakPolarHBondContact O-CG 3.22Å; R280-L284 PolarHBondContact O-N 2.76Å; M281-L284 HydrophobicContact CE-CD1 3.72Å; M281-L284 PolarHBondContact O-N 3.11Å; M281-L284 HydrophobicContact SD-CD1 4.34Å; V282-L284 VanDerWaalsContact C-N 3.33Å; V282-L284 PolarHBondContact O-N 2.94Å; L284-V286 HydrophobicContact CB-CG1 4.36Å
285N87.1Confident92.5Very high18 Ų1823.7 Ų23.710%0.09613%0.126CC..THydrogen-bonded Turntrans62.839.3-177.9-159.244.5000113.2S103 H261 M281 V282 S283S103-N285 PolarHBondContact N-OD1 3.49Å; S103-N285 PolarHBondContact O-OD1 3.26Å; S103-N285 PolarHBondContact OG-OD1 2.87Å; H261-N285 PolarHBondContact CE1-O 2.83Å; M281-N285 PolarHBondContact O-N 2.88Å; V282-N285 PolarHBondContact O-N 3.4Å; S283-N285 PolarHBondContact O-N 2.92Å
286V93.1Very high92.7Very high0 Ų023.8 Ų23.80%012%0.123CC..  trans-64151.2170.7-54.60000110.1P105 L252 V257 V267 A269 M281 L284 I289P105-V286 HydrophobicContact CB-CG2 4.26Å; P105-V286 WeakPolarHBondContact CB-O 3.09Å; L252-V286 HydrophobicContact CD1-CG1 4.1Å; V257-V286 HydrophobicContact CG2-CG1 4.21Å; V267-V286 HydrophobicContact CG1-CG1 4.28Å; A269-V286 HydrophobicContact CB-CG1 4.5Å; A269-V286 HydrophobicContact CB-CG2 4.35Å; M281-V286 HydrophobicContact CB-CG2 3.94Å; M281-V286 WeakPolarHBondContact O-CG2 3.27Å; M281-V286 PolarHBondContact O-N 3Å; M281-V286 HydrophobicContact SD-CG1 4.17Å; L284-V286 HydrophobicContact CB-CG1 4.36Å; V286-I289 HydrophobicContact CG2-CD1 4.06Å; V286-I289 HydrophobicContact CG2-CG1 3.58Å
287N94.6Very high93.1Very high24 Ų2417.4 Ų17.413%0.1289%0.089CC..SBendtrans-86.6-14.4-178.1-56.793.4000113.1L106 H261 D266 V267L106-N287 WeakPolarHBondContact CB-O 3.1Å; L106-N287 WeakPolarHBondContact CG-O 3.47Å; L106-N287 PolarHBondContact N-O 3.41Å; H261-N287 PolarHBondContact NE2-OD1 3.03Å; D266-N287 VanDerWaalsContact CA-OD1 3.23Å; D266-N287 WeakPolarHBondContact CA-OD1 3.24Å; D266-N287 HydrophobicContact CB-CB 3.79Å; V267-N287 PolarHBondContact N-OD1 3.23Å; V267-N287 WeakPolarHBondContact O-CA 3.26Å; V267-N287 PolarHBondContact O-N 3.42Å
288G96.2Very high93.3Very high0 Ų019.1 Ų19.10%010%0.095CC..EExtended strand (participates in β ladder)trans-158.7148.117700000112.4L106 V267 Y268 A269L106-G288 CarbonylContact O-C 3.57Å; L106-G288 WeakPolarHBondContact O-CA 3.45Å; V267-G288 PolarHBondContact O-N 2.79Å; Y268-G288 CarbonylContact C-O 3.6Å; Y268-G288 VanDerWaalsContact CA-O 3.28Å; Y268-G288 WeakPolarHBondContact CA-O 3.49Å; A269-G288 PolarHBondContact N-O 2.88Å
289I97.5Very high93.3Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-126.8120.6177.7-64.3170.4000108.3P105 L106 I108 A269 V272 M281 V282 V286 L297P105-I289 HydrophobicContact CB-CD1 3.99Å; P105-I289 HydrophobicContact CB-CG1 4.02Å; P105-I289 HydrophobicContact CG-CD1 3.79Å; P105-I289 HydrophobicContact CG-CG1 4.38Å; L106-I289 PolarHBondContact O-N 2.89Å; I108-I289 WeakPolarHBondContact CB-O 3.46Å; I108-I289 PolarHBondContact N-O 3.46Å; A269-I289 HydrophobicContact CB-CG1 4.43Å; V272-I289 HydrophobicContact CB-CG2 3.69Å; V272-I289 HydrophobicContact CG1-CG2 4.41Å; V272-I289 HydrophobicContact CG2-CG2 3.74Å; M281-I289 HydrophobicContact CB-CD1 3.67Å; M281-I289 HydrophobicContact CB-CG1 4.05Å; V282-I289 HydrophobicContact CG2-CD1 3.89Å; V286-I289 HydrophobicContact CG2-CD1 4.06Å; V286-I289 HydrophobicContact CG2-CG1 3.58Å; I289-L297 HydrophobicContact CB-CD1 4.06Å; I289-L297 HydrophobicContact CB-CD2 3.89Å; I289-L297 HydrophobicContact CD1-CD1 3.76Å; I289-L297 HydrophobicContact CG2-CD1 3.86Å; I289-L297 HydrophobicContact CG2-CD2 3.8Å; I289-L297 HydrophobicContact CG2-CG 4.49Å
290V97.4Very high93.4Very high0 Ų024 Ų240%012%0.117CC..EExtended strand (participates in β ladder)trans-92.3125.4173.3-174.90000109I108 H110 E138 L183 A269 W270 T271 V272I108-V290 HydrophobicContact CB-CB 4.47Å; I108-V290 HydrophobicContact CB-CG2 3.96Å; I108-V290 HydrophobicContact CD1-CG2 4.01Å; I108-V290 HydrophobicContact CG2-CG1 4.49Å; I108-V290 HydrophobicContact CG2-CG2 3.97Å; I108-V290 WeakPolarHBondContact O-CA 3.24Å; H110-V290 HydrophobicContact CB-CG1 3.78Å; E138-V290 HydrophobicContact CB-CG1 4.48Å; L183-V290 HydrophobicContact CD2-CG2 4.42Å; A269-V290 PolarHBondContact O-N 3.08Å; W270-V290 HydrophobicContact CD2-CB 4.16Å; W270-V290 HydrophobicContact CD2-CG1 4.07Å; W270-V290 HydrophobicContact CD2-CG2 4.43Å; W270-V290 HydrophobicContact CE3-CB 3.74Å; W270-V290 HydrophobicContact CE3-CG1 3.69Å; W270-V290 HydrophobicContact CE3-CG2 3.56Å; W270-V290 HydrophobicContact CH2-CG1 4.21Å; W270-V290 HydrophobicContact CZ3-CB 4.26Å; W270-V290 HydrophobicContact CZ3-CG1 3.79Å; W270-V290 HydrophobicContact CZ3-CG2 3.96Å; T271-V290 CarbonylContact C-O 3.53Å; T271-V290 WeakPolarHBondContact CA-O 3.42Å; T271-V290 WeakPolarHBondContact CG2-O 3.24Å; V272-V290 PolarHBondContact N-O 3.32Å
291T97.6Very high93.6Very high0 Ų022.1 Ų22.10%011%0.11CC..EExtended strand (participates in β ladder)trans-144.5148.6-172.8-172.80000112.5I108 H110 V272 N273 D293 L294 L297I108-T291 PolarHBondContact O-N 2.97Å; H110-T291 VanDerWaalsContact CB-O 3.28Å; H110-T291 WeakPolarHBondContact CB-O 3.36Å; H110-T291 PolarHBondContact N-O 3.3Å; V272-T291 WeakPolarHBondContact O-CB 3.2Å; V272-T291 PolarHBondContact O-OG1 3.33Å; N273-T291 PolarHBondContact OD1-OG1 2.82Å; T291-D293 PolarHBondContact OG1-N 2.93Å; T291-D293 PolarHBondContact OG1-O 3.38Å; T291-L294 HydrophobicContact CG2-CB 4.39Å; T291-L297 HydrophobicContact CG2-CB 3.98Å; T291-L297 HydrophobicContact CG2-CD2 3.54Å; T291-L297 HydrophobicContact CG2-CG 4.4Å
292D96.9Very high93.5Very high40 Ų4027.4 Ų27.421%0.21413%0.133CC..SBendtrans-84.9-9.3164.6-63.7-60.6000112.3H110 D114 N115 N273H110-D292 WeakPolarHBondContact CB-OD1 2.97Å; H110-D292 IonicContact CE1-OD1 3.24Å; H110-D292 IonicContact CG-OD1 3.65Å; H110-D292 IonicContact ND1-OD1 4Å; H110-D292 PolarHBondContact ND1-OD1 2.87Å; H110-D292 IonicContact ND1-OD2 3.7Å; H110-D292 PolarHBondContact ND1-OD2 3.43Å; D114-D292 CarbonylContact C-O 3.54Å; D114-D292 WeakPolarHBondContact CA-O 3.14Å; N115-D292 PolarHBondContact N-O 3.02Å; N273-D292 PolarHBondContact ND2-OD2 3.24Å; N273-D292 PolarHBondContact OD1-N 3.17Å
293D97.2Very high93.2Very high28 Ų2831.8 Ų31.815%0.1516%0.16CC..  trans-123.675.2179.7-168.2-18.7000110D114 M278 T291 T296 L297D114-D293 WeakPolarHBondContact OD1-CA 3.49Å; M278-D293 HydrophobicContact CE-CB 4.24Å; M278-D293 WeakPolarHBondContact CE-O 3.3Å; T291-D293 PolarHBondContact OG1-N 2.93Å; T291-D293 PolarHBondContact OG1-O 3.38Å; D293-T296 VanDerWaalsContact CG-CB 3.47Å; D293-T296 WeakPolarHBondContact OD1-CB 3.2Å; D293-T296 PolarHBondContact OD1-N 3.47Å; D293-T296 PolarHBondContact OD1-OG1 2.86Å; D293-T296 PolarHBondContact OD2-OG1 3.21Å; D293-L297 PolarHBondContact O-N 2.91Å; D293-L297 VanDerWaalsContact O-N 3.17Å
294L97.6Very high92.8Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-64.7-40.6-177.9-179.965.9000111.2D114 T129 E132 P134 T291 L297 Q298D114-L294 HydrophobicContact CB-CB 4.16Å; D114-L294 WeakPolarHBondContact OD1-CA 3.42Å; D114-L294 WeakPolarHBondContact OD1-CB 3.42Å; D114-L294 PolarHBondContact OD1-N 3.23Å; T129-L294 HydrophobicContact CG2-CD2 3.75Å; E132-L294 HydrophobicContact CB-CD2 3.88Å; E132-L294 WeakPolarHBondContact OE2-CD2 3.44Å; P134-L294 HydrophobicContact CB-CD1 3.96Å; P134-L294 HydrophobicContact CB-CD2 3.63Å; P134-L294 HydrophobicContact CB-CG 4.48Å; P134-L294 HydrophobicContact CG-CD2 3.86Å; T291-L294 HydrophobicContact CG2-CB 4.39Å; L294-L297 PolarHBondContact O-N 3.41Å; L294-Q298 HydrophobicContact CD1-CG 4.25Å; L294-Q298 HydrophobicContact CG-CG 4.37Å; L294-Q298 WeakPolarHBondContact O-CG 3.26Å; L294-Q298 PolarHBondContact O-N 3.33Å
295Q96.4Very high92.4Very high103 Ų10337 Ų3748%0.48118%0.183SC..Hα-helixtrans-60.7-49.6-179.3-174.5-179-9.300110.8D114 L297 Q298 E299D114-Q295 PolarHBondContact OD1-N 3.13Å; Q295-L297 VanDerWaalsContact C-N 3.31Å; Q295-L297 PolarHBondContact O-N 3.33Å; Q295-Q298 PolarHBondContact O-N 3.49Å; Q295-E299 PolarHBondContact NE2-OE1 3.26Å; Q295-E299 WeakPolarHBondContact O-CG 3.46Å; Q295-E299 PolarHBondContact O-N 3.47Å
296T96.5Very high91.7Very high35 Ų3542.2 Ų42.222%0.21521%0.207CC..Hα-helixtrans-61.2-41.6178-59.50000111.1A275 M278 D293 Q298 E299 Q300A275-T296 HydrophobicContact CB-CG2 4.23Å; M278-T296 HydrophobicContact CE-CG2 4.28Å; M278-T296 HydrophobicContact SD-CG2 3.78Å; D293-T296 VanDerWaalsContact CG-CB 3.47Å; D293-T296 WeakPolarHBondContact OD1-CB 3.2Å; D293-T296 PolarHBondContact OD1-N 3.47Å; D293-T296 PolarHBondContact OD1-OG1 2.86Å; D293-T296 PolarHBondContact OD2-OG1 3.21Å; T296-Q298 PolarHBondContact O-N 2.85Å; T296-E299 PolarHBondContact O-N 2.77Å; T296-Q300 WeakPolarHBondContact O-CG 3.41Å; T296-Q300 PolarHBondContact O-N 3.43Å
297L97Very high90Very high0 Ų049 Ų490%024%0.243CC..Hα-helixtrans-59.2-46.7177174.861.9000112.2T107 M278 I289 T291 D293 L294 Q295 E299 Q300 I301T107-L297 HydrophobicContact CG2-CD2 4.09Å; T107-L297 HydrophobicContact CG2-CG 4.27Å; M278-L297 HydrophobicContact CB-CD1 4.28Å; M278-L297 HydrophobicContact CE-CB 3.94Å; M278-L297 HydrophobicContact CG-CD1 4.01Å; M278-L297 WeakPolarHBondContact SD-CA 3.19Å; M278-L297 HydrophobicContact SD-CB 3.92Å; M278-L297 HydrophobicContact SD-CD1 4.31Å; M278-L297 PolarHBondContact SD-N 2.98Å; I289-L297 HydrophobicContact CB-CD1 4.06Å; I289-L297 HydrophobicContact CB-CD2 3.89Å; I289-L297 HydrophobicContact CD1-CD1 3.76Å; I289-L297 HydrophobicContact CG2-CD1 3.86Å; I289-L297 HydrophobicContact CG2-CD2 3.8Å; I289-L297 HydrophobicContact CG2-CG 4.49Å; T291-L297 HydrophobicContact CG2-CB 3.98Å; T291-L297 HydrophobicContact CG2-CD2 3.54Å; T291-L297 HydrophobicContact CG2-CG 4.4Å; D293-L297 PolarHBondContact O-N 2.91Å; D293-L297 VanDerWaalsContact O-N 3.17Å; L294-L297 PolarHBondContact O-N 3.41Å; Q295-L297 VanDerWaalsContact C-N 3.31Å; Q295-L297 PolarHBondContact O-N 3.33Å; L297-E299 VanDerWaalsContact C-N 3.29Å; L297-E299 PolarHBondContact O-N 3.45Å; L297-Q300 PolarHBondContact O-N 3.05Å; L297-I301 HydrophobicContact CD1-CD1 3.85Å; L297-I301 HydrophobicContact CD1-CG1 4.18Å; L297-I301 HydrophobicContact CG-CD1 3.9Å; L297-I301 WeakPolarHBondContact O-CG1 3.29Å; L297-I301 PolarHBondContact O-N 2.89Å
298Q96Very high88.4Confident55 Ų5548.7 Ų48.726%0.25724%0.243SC..Hα-helixtrans-63.3-36.8178-72.6179.3-15.700111.8T107 E132 L294 Q295 T296 K302T107-Q298 HydrophobicContact CG2-CG 4.08Å; E132-Q298 PolarHBondContact O-NE2 3.38Å; E132-Q298 PolarHBondContact O-OE1 3.35Å; L294-Q298 HydrophobicContact CD1-CG 4.25Å; L294-Q298 HydrophobicContact CG-CG 4.37Å; L294-Q298 WeakPolarHBondContact O-CG 3.26Å; L294-Q298 PolarHBondContact O-N 3.33Å; Q295-Q298 PolarHBondContact O-N 3.49Å; T296-Q298 PolarHBondContact O-N 2.85Å; Q298-K302 VanDerWaalsContact O-CB 3.26Å; Q298-K302 WeakPolarHBondContact O-CB 3.47Å; Q298-K302 PolarHBondContact O-N 2.9Å
299E93.1Very high86.5Confident100 Ų10052 Ų5247%0.46727%0.266SS..Hα-helixtrans-65.9-40.4174.6-71.5176.7-169.500112.2Q295 T296 L297 T303Q295-E299 PolarHBondContact NE2-OE1 3.26Å; Q295-E299 WeakPolarHBondContact O-CG 3.46Å; Q295-E299 PolarHBondContact O-N 3.47Å; T296-E299 PolarHBondContact O-N 2.77Å; L297-E299 VanDerWaalsContact C-N 3.29Å; L297-E299 PolarHBondContact O-N 3.45Å; E299-T303 WeakPolarHBondContact O-CB 3.37Å; E299-T303 PolarHBondContact O-N 2.91Å; E299-T303 PolarHBondContact O-OG1 3.31Å
300Q90.4Very high84.4Confident38 Ų3861.6 Ų61.618%0.17830%0.304CS..Hα-helixtrans-65.7-46.4174.9-65.6-46.6-39.600111.6A275 M278 D279 T296 L297 K302 T303 Y304A275-Q300 HydrophobicContact CB-CG 4.35Å; M278-Q300 HydrophobicContact CB-CB 4.35Å; M278-Q300 HydrophobicContact CB-CG 4.08Å; M278-Q300 HydrophobicContact SD-CG 4.15Å; D279-Q300 PolarHBondContact OD1-OE1 3.48Å; T296-Q300 WeakPolarHBondContact O-CG 3.41Å; T296-Q300 PolarHBondContact O-N 3.43Å; L297-Q300 PolarHBondContact O-N 3.05Å; Q300-K302 PolarHBondContact O-N 3.47Å; Q300-T303 WeakPolarHBondContact O-CB 3.36Å; Q300-T303 PolarHBondContact O-N 2.83Å; Q300-Y304 PolarHBondContact O-N 3.06Å
301I91.6Very high82.4Confident9 Ų965 Ų655%0.04633%0.331CS..Hα-helixtrans-61.1-44.2176.9-71.1169.1000111I104 P105 T107 V282 L297 T303 Y304 E305I104-I301 HydrophobicContact CG2-CG2 3.57Å; P105-I301 HydrophobicContact CG-CD1 3.94Å; P105-I301 HydrophobicContact CG-CG1 4.12Å; T107-I301 HydrophobicContact CG2-CD1 3.41Å; T107-I301 VanDerWaalsContact CG2-CD1 3.41Å; V282-I301 HydrophobicContact CG2-CG1 4.23Å; L297-I301 HydrophobicContact CD1-CD1 3.85Å; L297-I301 HydrophobicContact CD1-CG1 4.18Å; L297-I301 HydrophobicContact CG-CD1 3.9Å; L297-I301 WeakPolarHBondContact O-CG1 3.29Å; L297-I301 PolarHBondContact O-N 2.89Å; I301-T303 VanDerWaalsContact C-N 3.3Å; I301-T303 PolarHBondContact O-N 3.14Å; I301-Y304 CarbonylContact O-C 3.59Å; I301-Y304 WeakPolarHBondContact O-CA 3.31Å; I301-Y304 VanDerWaalsContact O-CB 3.22Å; I301-Y304 WeakPolarHBondContact O-CB 3.24Å; I301-Y304 PolarHBondContact O-N 3.03Å; I301-E305 HydrophobicContact CG2-CG 4.37Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.48Å; I301-E305 PolarHBondContact O-N 3.18Å
302K88.8Confident80.5Confident111 Ų11167.7 Ų67.748%0.48334%0.343SS..Hα-helixtrans-61.1-41.1177.3-175.4-178.6178.1-174.10111.9Q298 Q300 Y304 E305 E306Q298-K302 VanDerWaalsContact O-CB 3.26Å; Q298-K302 WeakPolarHBondContact O-CB 3.47Å; Q298-K302 PolarHBondContact O-N 2.9Å; Q300-K302 PolarHBondContact O-N 3.47Å; K302-Y304 PolarHBondContact O-N 3.03Å; K302-E305 PolarHBondContact O-N 3.03Å; K302-E306 WeakPolarHBondContact CE-OE1 3.48Å; K302-E306 WeakPolarHBondContact CE-OE2 3.25Å; K302-E306 HydrophobicContact CG-CG 4.14Å; K302-E306 IonicContact NZ-OE1 3.93Å; K302-E306 PolarHBondContact O-N 3.1Å
303T82.8Confident78.9Confident95 Ų9571.6 Ų71.658%0.58336%0.355SS*.Hα-helixtrans-62.4-35.2174.6-58.90000111.4E299 Q300 I301E299-T303 WeakPolarHBondContact O-CB 3.37Å; E299-T303 PolarHBondContact O-N 2.91Å; E299-T303 PolarHBondContact O-OG1 3.31Å; Q300-T303 WeakPolarHBondContact O-CB 3.36Å; Q300-T303 PolarHBondContact O-N 2.83Å; I301-T303 VanDerWaalsContact C-N 3.3Å; I301-T303 PolarHBondContact O-N 3.14Å
304Y75.2Confident77.3Confident24 Ų2475 Ų759%0.09437%0.372CS..Hα-helixtrans-68.1-41.2174.7-172.2-87.5000113D102 V282 Q300 I301 K302 P308 M316 R320D102-Y304 PolarHBondContact OD1-OH 3.41Å; V282-Y304 HydrophobicContact CB-CD2 4.25Å; V282-Y304 HydrophobicContact CB-CE2 4.48Å; V282-Y304 HydrophobicContact CG1-CD1 3.77Å; V282-Y304 HydrophobicContact CG1-CD2 3.23Å; V282-Y304 HydrophobicContact CG1-CE1 3.96Å; V282-Y304 HydrophobicContact CG1-CE2 3.45Å; V282-Y304 VanDerWaalsContact CG1-CE2 3.45Å; V282-Y304 HydrophobicContact CG1-CG 3.44Å; V282-Y304 VanDerWaalsContact CG1-CG 3.44Å; Q300-Y304 PolarHBondContact O-N 3.06Å; I301-Y304 CarbonylContact O-C 3.59Å; I301-Y304 WeakPolarHBondContact O-CA 3.31Å; I301-Y304 VanDerWaalsContact O-CB 3.22Å; I301-Y304 WeakPolarHBondContact O-CB 3.24Å; I301-Y304 PolarHBondContact O-N 3.03Å; K302-Y304 PolarHBondContact O-N 3.03Å; Y304-P308 WeakPolarHBondContact O-CD 3.35Å; Y304-M316 HydrophobicContact CD2-CE 3.16Å; Y304-M316 HydrophobicContact CD2-SD 4.16Å; Y304-M316 HydrophobicContact CE2-CE 3.17Å; Y304-M316 HydrophobicContact CE2-CG 4.04Å; Y304-M316 HydrophobicContact CE2-SD 3.51Å; Y304-M316 VanDerWaalsContact CE2-SD 3.51Å; Y304-M316 HydrophobicContact CG-CE 4.11Å; Y304-R320 PolarHBondContact OH-NH2 3.13Å
305E77.4Confident75.6Confident98 Ų9879.1 Ų79.146%0.45839%0.391SS..Hα-helixtrans-75.9-48.6-177.9-72.9179-162.900114.1I104 I301 K302I104-E305 VanDerWaalsContact CD1-CD 3.43Å; I104-E305 HydrophobicContact CD1-CG 3.79Å; I104-E305 WeakPolarHBondContact CD1-OE1 3.49Å; I104-E305 HydrophobicContact CG1-CG 3.77Å; I104-E305 WeakPolarHBondContact CG1-OE1 3.45Å; I104-E305 VanDerWaalsContact CG2-OE1 3.31Å; I104-E305 WeakPolarHBondContact CG2-OE1 3.26Å; I301-E305 HydrophobicContact CG2-CG 4.37Å; I301-E305 WeakPolarHBondContact CG2-OE1 3.48Å; I301-E305 PolarHBondContact O-N 3.18Å; K302-E305 PolarHBondContact O-N 3.03Å
306E72.8Confident74Confident126 Ų12675 Ų7559%0.58937%0.372SS*.Hα-helixtrans-77.9-28.5-159.7-73.3-173.7163.900114.5K302K302-E306 WeakPolarHBondContact CE-OE1 3.48Å; K302-E306 WeakPolarHBondContact CE-OE2 3.25Å; K302-E306 HydrophobicContact CG-CG 4.14Å; K302-E306 IonicContact NZ-OE1 3.93Å; K302-E306 PolarHBondContact O-N 3.1Å
307N56.8Low72.4Confident142 Ų14276.3 Ų76.376%0.75937%0.374SS*.  trans177.582.6172-97.8-37.9000111.6S309N307-S309 PolarHBondContact O-N 2.91Å
308P60.3Low70.9Confident19 Ų1979.6 Ų79.612%0.12339%0.39CS..  trans-67130172.324.7-28.6000108.8Y304 K312 R313 M316Y304-P308 WeakPolarHBondContact O-CD 3.35Å; P308-K312 HydrophobicContact CB-CB 4.19Å; P308-K312 HydrophobicContact CB-CG 4.3Å; P308-R313 HydrophobicContact CB-CG 3.96Å; P308-R313 HydrophobicContact CG-CG 3.83Å; P308-R313 PolarHBondContact O-NE 2.82Å; P308-R313 VanDerWaalsContact O-NE 3.17Å; P308-M316 HydrophobicContact CB-CE 3.64Å; P308-M316 HydrophobicContact CB-SD 4.35Å; P308-M316 HydrophobicContact CG-CE 4.28Å
309S56.6Low69.3Low70 Ų7079.7 Ų79.749%0.4939%0.393SS..  trans-54.6153.917472.70000110.1N307 A311 K312 R313N307-S309 PolarHBondContact O-N 2.91Å; S309-A311 PolarHBondContact O-N 3.29Å; S309-A311 VanDerWaalsContact O-N 3.12Å; S309-K312 PolarHBondContact O-N 2.76Å; S309-K312 PolarHBondContact OG-N 3.17Å; S309-K312 VanDerWaalsContact OG-N 3.08Å; S309-R313 PolarHBondContact O-N 3.4Å
310Y54.5Low67.9Low201 Ų20176.6 Ų76.679%0.78838%0.377SS*.Hα-helixtrans-52.7-36.1174.5-84.2-76.8000112.2R313 I314Y310-R313 PolarHBondContact O-N 3.45Å; Y310-I314 WeakPolarHBondContact O-CD1 3.01Å; Y310-I314 VanDerWaalsContact O-CG1 3.24Å; Y310-I314 WeakPolarHBondContact O-CG1 3.44Å; Y310-I314 PolarHBondContact O-N 3.28Å
311A54.9Low66.5Low71 Ų7175.6 Ų75.659%0.58737%0.372SS*.Hα-helixtrans-63.5-46.2174.900000112.1S309 I314 E315S309-A311 PolarHBondContact O-N 3.29Å; S309-A311 VanDerWaalsContact O-N 3.12Å; A311-I314 PolarHBondContact O-N 3.28Å; A311-E315 PolarHBondContact O-N 3Å
312K58.3Low64.7Low57 Ų5777.8 Ų77.825%0.24839%0.387CS..Hα-helixtrans-64.3-40.1176.8-16682.9-168.5173.10111.3D279 P308 S309 I314 E315 M316D279-K312 IonicContact OD2-NZ 3.87Å; D279-K312 PolarHBondContact OD2-NZ 3.12Å; P308-K312 HydrophobicContact CB-CB 4.19Å; P308-K312 HydrophobicContact CB-CG 4.3Å; S309-K312 PolarHBondContact O-N 2.76Å; S309-K312 PolarHBondContact OG-N 3.17Å; S309-K312 VanDerWaalsContact OG-N 3.08Å; K312-I314 VanDerWaalsContact C-N 3.32Å; K312-I314 PolarHBondContact O-N 3.45Å; K312-E315 WeakPolarHBondContact CD-OE2 3.13Å; K312-E315 IonicContact NZ-OE2 2.79Å; K312-E315 PolarHBondContact NZ-OE2 2.88Å; K312-E315 WeakPolarHBondContact O-CB 3.44Å; K312-E315 PolarHBondContact O-N 3.27Å; K312-M316 HydrophobicContact CB-CE 4.39Å; K312-M316 HydrophobicContact CD-CE 4.5Å; K312-M316 HydrophobicContact CG-CE 3.44Å; K312-M316 VanDerWaalsContact CG-CE 3.44Å; K312-M316 HydrophobicContact CG-SD 4.41Å; K312-M316 WeakPolarHBondContact O-CB 2.97Å; K312-M316 WeakPolarHBondContact O-CG 3.49Å; K312-M316 PolarHBondContact O-N 3.5Å
313R62.2Low63Low122 Ų12273.7 Ų73.746%0.4638%0.375SS..Hα-helixtrans-60.7-40.2173.8-67.7178.2-177.4-90.21.9112.5P308 S309 Y310 Y317P308-R313 HydrophobicContact CB-CG 3.96Å; P308-R313 HydrophobicContact CG-CG 3.83Å; P308-R313 PolarHBondContact O-NE 2.82Å; P308-R313 VanDerWaalsContact O-NE 3.17Å; S309-R313 PolarHBondContact O-N 3.4Å; Y310-R313 PolarHBondContact O-N 3.45Å; R313-Y317 WeakPolarHBondContact O-CB 3.49Å; R313-Y317 PolarHBondContact O-N 3.44Å
314I64.1Low61.3Low100 Ų10072.6 Ų72.651%0.51336%0.364SS..Hα-helixtrans-68-44.1175.8-70165.3000110.5Y310 A311 K312 M316 Y317 I318Y310-I314 WeakPolarHBondContact O-CD1 3.01Å; Y310-I314 VanDerWaalsContact O-CG1 3.24Å; Y310-I314 WeakPolarHBondContact O-CG1 3.44Å; Y310-I314 PolarHBondContact O-N 3.28Å; A311-I314 PolarHBondContact O-N 3.28Å; K312-I314 VanDerWaalsContact C-N 3.32Å; K312-I314 PolarHBondContact O-N 3.45Å; I314-M316 PolarHBondContact O-N 3.4Å; I314-Y317 PolarHBondContact O-N 2.95Å; I314-I318 HydrophobicContact CG2-CD1 3.65Å; I314-I318 HydrophobicContact CG2-CG1 4.28Å; I314-I318 VanDerWaalsContact O-CB 3.31Å; I314-I318 WeakPolarHBondContact O-CB 2.92Å; I314-I318 VanDerWaalsContact O-CG1 3.22Å; I314-I318 WeakPolarHBondContact O-CG1 3.21Å; I314-I318 PolarHBondContact O-N 3.34Å
315E62.4Low60Low86 Ų8672.7 Ų72.740%0.40237%0.367SS..Hα-helixtrans-57.5-46.7174.1-177.4-174.6-160.800111.5A311 K312 Y317 I318 N319A311-E315 PolarHBondContact O-N 3Å; K312-E315 WeakPolarHBondContact CD-OE2 3.13Å; K312-E315 IonicContact NZ-OE2 2.79Å; K312-E315 PolarHBondContact NZ-OE2 2.88Å; K312-E315 WeakPolarHBondContact O-CB 3.44Å; K312-E315 PolarHBondContact O-N 3.27Å; E315-Y317 VanDerWaalsContact C-N 3.35Å; E315-Y317 PolarHBondContact O-N 3.43Å; E315-I318 WeakPolarHBondContact O-CB 3.14Å; E315-I318 PolarHBondContact O-N 3.34Å; E315-N319 PolarHBondContact O-N 3.01Å
316M61.9Low58.5Low15 Ų1575.6 Ų75.67%0.07438%0.38CS..Hα-helixtrans-58.3-45.9175.1-67.6161.7-179.100111.6Y304 P308 K312 I314 I318 N319 R320Y304-M316 HydrophobicContact CD2-CE 3.16Å; Y304-M316 HydrophobicContact CD2-SD 4.16Å; Y304-M316 HydrophobicContact CE2-CE 3.17Å; Y304-M316 HydrophobicContact CE2-CG 4.04Å; Y304-M316 HydrophobicContact CE2-SD 3.51Å; Y304-M316 VanDerWaalsContact CE2-SD 3.51Å; Y304-M316 HydrophobicContact CG-CE 4.11Å; P308-M316 HydrophobicContact CB-CE 3.64Å; P308-M316 HydrophobicContact CB-SD 4.35Å; P308-M316 HydrophobicContact CG-CE 4.28Å; K312-M316 HydrophobicContact CB-CE 4.39Å; K312-M316 HydrophobicContact CD-CE 4.5Å; K312-M316 HydrophobicContact CG-CE 3.44Å; K312-M316 VanDerWaalsContact CG-CE 3.44Å; K312-M316 HydrophobicContact CG-SD 4.41Å; K312-M316 WeakPolarHBondContact O-CB 2.97Å; K312-M316 WeakPolarHBondContact O-CG 3.49Å; K312-M316 PolarHBondContact O-N 3.5Å; I314-M316 PolarHBondContact O-N 3.4Å; M316-I318 VanDerWaalsContact C-N 3.34Å; M316-I318 PolarHBondContact O-N 2.7Å; M316-N319 PolarHBondContact O-N 2.86Å; M316-R320 WeakPolarHBondContact O-CG 3.28Å; M316-R320 PolarHBondContact O-N 3.3Å; M316-R320 VanDerWaalsContact O-N 3.16Å
317Y63.5Low57Low64 Ų6479.9 Ų79.925%0.25139%0.391SS..Hα-helixtrans-61.3-44.2176.6177.6-99.3000111.7Y96 L97 R313 I314 E315 R320 L321Y96-Y317 HydrophobicContact CE1-CE2 4.32Å; L97-Y317 HydrophobicContact CD2-CD2 3.52Å; L97-Y317 HydrophobicContact CD2-CE2 3.48Å; L97-Y317 VanDerWaalsContact CD2-CE2 3.48Å; R313-Y317 WeakPolarHBondContact O-CB 3.49Å; R313-Y317 PolarHBondContact O-N 3.44Å; I314-Y317 PolarHBondContact O-N 2.95Å; E315-Y317 VanDerWaalsContact C-N 3.35Å; E315-Y317 PolarHBondContact O-N 3.43Å; Y317-R320 PolarHBondContact O-N 3.04Å; Y317-L321 HydrophobicContact CD1-CD1 4.4Å; Y317-L321 HydrophobicContact CE1-CD1 4Å; Y317-L321 HydrophobicContact CE1-CD2 4.3Å; Y317-L321 HydrophobicContact CE1-CG 4.31Å; Y317-L321 PolarHBondContact O-N 3.1Å
318I65.1Low56.3Low68 Ų6878.7 Ų78.735%0.34938%0.383SS..Hα-helixtrans-59.3-49.8177.1-78.3174.2000110.1I314 E315 M316 R320 L321 L324I314-I318 HydrophobicContact CG2-CD1 3.65Å; I314-I318 HydrophobicContact CG2-CG1 4.28Å; I314-I318 VanDerWaalsContact O-CB 3.31Å; I314-I318 WeakPolarHBondContact O-CB 2.92Å; I314-I318 VanDerWaalsContact O-CG1 3.22Å; I314-I318 WeakPolarHBondContact O-CG1 3.21Å; I314-I318 PolarHBondContact O-N 3.34Å; E315-I318 WeakPolarHBondContact O-CB 3.14Å; E315-I318 PolarHBondContact O-N 3.34Å; M316-I318 VanDerWaalsContact C-N 3.34Å; M316-I318 PolarHBondContact O-N 2.7Å; I318-R320 PolarHBondContact O-N 3.08Å; I318-L321 WeakPolarHBondContact O-CB 3.33Å; I318-L321 PolarHBondContact O-N 3.09Å; I318-L324 HydrophobicContact CB-CD1 4.05Å; I318-L324 HydrophobicContact CG2-CD1 3.29Å; I318-L324 WeakPolarHBondContact O-CD1 3.25Å
319N62.7Low55.3Low57 Ų5782.4 Ų82.431%0.30541%0.41SS..Hα-helixtrans-66.9-21.5-178.8-67.9-10.7000113.8E315 M316E315-N319 PolarHBondContact O-N 3.01Å; M316-N319 PolarHBondContact O-N 2.86Å
320R63.3Low54Low35 Ų3587.1 Ų87.113%0.13242%0.424CS..THydrogen-bonded Turntrans-85.2-10.3174-71.1-179.2-178.21761.4113.8D102 S283 Y304 M316 Y317 I318 P322D102-R320 IonicContact OD1-CZ 2.74Å; D102-R320 VanDerWaalsContact OD1-CZ 3.28Å; D102-R320 IonicContact OD1-NH1 3.44Å; D102-R320 PolarHBondContact OD1-NH1 2.91Å; D102-R320 IonicContact OD1-NH2 3.48Å; D102-R320 PolarHBondContact OD1-NH2 3.48Å; S283-R320 WeakPolarHBondContact O-CG 3.34Å; S283-R320 PolarHBondContact O-NE 3.41Å; Y304-R320 PolarHBondContact OH-NH2 3.13Å; M316-R320 WeakPolarHBondContact O-CG 3.28Å; M316-R320 PolarHBondContact O-N 3.3Å; M316-R320 VanDerWaalsContact O-N 3.16Å; Y317-R320 PolarHBondContact O-N 3.04Å; I318-R320 PolarHBondContact O-N 3.08Å; R320-P322 WeakPolarHBondContact O-CD 3.07Å
321L62.3Low53Low17 Ų1787.8 Ų87.89%0.08944%0.441CS..SBendtrans-73.7120.5171.2-66.9171.7000107.9F40 Y317 I318 A323 L324F40-L321 HydrophobicContact CD1-CD1 3.7Å; F40-L321 HydrophobicContact CE1-CD1 4.08Å; F40-L321 HydrophobicContact CG-CD1 4.21Å; Y317-L321 HydrophobicContact CD1-CD1 4.4Å; Y317-L321 HydrophobicContact CE1-CD1 4Å; Y317-L321 HydrophobicContact CE1-CD2 4.3Å; Y317-L321 HydrophobicContact CE1-CG 4.31Å; Y317-L321 PolarHBondContact O-N 3.1Å; I318-L321 WeakPolarHBondContact O-CB 3.33Å; I318-L321 PolarHBondContact O-N 3.09Å; L321-A323 PolarHBondContact O-N 3.32Å; L321-L324 HydrophobicContact CB-CD1 4.27Å; L321-L324 HydrophobicContact CD1-CD1 4.41Å; L321-L324 PolarHBondContact O-N 3.28Å; L321-L324 VanDerWaalsContact O-N 3.14Å
322P53.4Low52.9Low55 Ų5588.6 Ų88.636%0.35743%0.434SS..G310 helixtrans-50.4-30.7179.9-27.634.6000113.6S254 R320 L324S254-P322 WeakPolarHBondContact OG-CA 3.33Å; R320-P322 WeakPolarHBondContact O-CD 3.07Å; P322-L324 PolarHBondContact O-N 2.88Å; P322-L324 VanDerWaalsContact O-N 3.11Å
323A51.7Low52.7Low26 Ų2690.3 Ų90.322%0.21544%0.444CS..G310 helixtrans-64.1-10.8-176.900000116I39 E43 L321I39-A323 HydrophobicContact CG2-CB 4.08Å; E43-A323 VanDerWaalsContact OE2-CB 3.29Å; E43-A323 WeakPolarHBondContact OE2-CB 3.46Å; L321-A323 PolarHBondContact O-N 3.32Å
324L47.3Very low52.1Low71 Ų7188.5 Ų88.537%0.37244%0.443SS..G310 helixtrans-105.6-14.3-173.7-76.1158.1000114.6I318 L321 P322 E326I318-L324 HydrophobicContact CB-CD1 4.05Å; I318-L324 HydrophobicContact CG2-CD1 3.29Å; I318-L324 WeakPolarHBondContact O-CD1 3.25Å; L321-L324 HydrophobicContact CB-CD1 4.27Å; L321-L324 HydrophobicContact CD1-CD1 4.41Å; L321-L324 PolarHBondContact O-N 3.28Å; L321-L324 VanDerWaalsContact O-N 3.14Å; P322-L324 PolarHBondContact O-N 2.88Å; P322-L324 VanDerWaalsContact O-N 3.11Å; L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 3.12Å
325D48Very low51.4Low26 Ų2687.8 Ų87.814%0.13944%0.439CS..G310 helixtrans-73-22.7-179.5-120.2-26000112.9T253 S254 R280 R327 I328T253-D325 WeakPolarHBondContact CA-OD2 2.97Å; T253-D325 WeakPolarHBondContact CB-OD2 3.41Å; T253-D325 HydrophobicContact CG2-CB 4.47Å; S254-D325 PolarHBondContact N-OD2 3.27Å; R280-D325 IonicContact NH2-OD1 3.36Å; R280-D325 PolarHBondContact NH2-OD1 3.35Å; D325-R327 PolarHBondContact O-N 3.06Å; D325-I328 PolarHBondContact O-N 3.38Å
326E45.4Very low50.7Low159 Ų15987.9 Ų87.974%0.74344%0.441SS*.G310 helixtrans-65.6-6.7-178.7-71-168.5168.400114.3L324L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 3.12Å
327R42.7Very low50Low216 Ų21692.8 Ų92.882%0.81547%0.466SS*.G310 helixtrans-90.4-10.7176.8-72.9-167.8-169.3-129.60.9115.4D325D325-R327 PolarHBondContact O-N 3.06Å
328I42.7Very low49Very low117 Ų11794.9 Ų94.960%0.648%0.481SS*.THydrogen-bonded Turntrans-99-18.4-177-59.3-179.6000112D325D325-I328 PolarHBondContact O-N 3.38Å
329S37.7Very low47.8Very low97 Ų9796.9 Ų96.968%0.67849%0.491SS*.THydrogen-bonded Turntrans-86.1-4.1-179.161.50000116
330E29.3Very low46.6Very low169 Ų169100.3 Ų100.379%0.7951%0.507SS*.THydrogen-bonded Turntrans-104.916.3-177.6-75.1-162.2161.100115.8
331N34.9Very low45Very low215 Ų215106.2 Ų106.2100%1.1554%0.541SS*.  trans-122.90166-70.2-41.6000110.8

Retrieved 331 of 331 residues in 452.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).