A0A077Z5Y0_TRITR Loading...

tRNA (guanine(26)-N(2))-dimethyltransferase

AlphaFold DB , UniProt , Accession A0A077Z5Y0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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
1M44.7Very low63.6Low34 Ų3443.5 Ų43.517%0.16724%0.241CC..  094.80-88174.4-109.800110.6V21 N23 F56 F67 D71M1-V21 HydrophobicContact CE-CB 3.47Å; M1-V21 VanDerWaalsContact CE-CB 3.47Å; M1-V21 HydrophobicContact CE-CG1 3.62Å; M1-V21 HydrophobicContact CE-CG2 4.45Å; M1-V21 HydrophobicContact CG-CG1 4.48Å; M1-V21 WeakPolarHBondContact CG-O 3.38Å; M1-V21 HydrophobicContact SD-CB 3.93Å; M1-V21 HydrophobicContact SD-CG1 3.47Å; M1-V21 WeakPolarHBondContact SD-CG1 3.39Å; M1-N23 HydrophobicContact CB-CB 3.95Å; M1-N23 HydrophobicContact CG-CB 3.69Å; M1-N23 HydrophobicContact SD-CB 3.25Å; M1-N23 WeakPolarHBondContact SD-CB 3.48Å; M1-F56 HydrophobicContact CE-CD1 4.09Å; M1-F56 HydrophobicContact CE-CE1 3.4Å; M1-F56 VanDerWaalsContact CE-CE1 3.4Å; M1-F56 HydrophobicContact CE-CZ 4.32Å; M1-F56 HydrophobicContact SD-CD1 3.65Å; M1-F56 HydrophobicContact SD-CE1 3.34Å; M1-F56 WeakPolarHBondContact SD-CE1 3.39Å; M1-F56 HydrophobicContact SD-CZ 4.22Å; M1-F67 HydrophobicContact CE-CE1 3.88Å; M1-F67 HydrophobicContact CE-CE2 4.03Å; M1-F67 HydrophobicContact CE-CZ 3.62Å; M1-D71 CarbonylContact C-O 3.59Å; M1-D71 PolarHBondContact N-O 2.65Å
2F48.7Very low65.1Low36 Ų3649.7 Ų49.716%0.15826%0.264CS..  trans171.472.5146.2-82.4-59.5000107.8N23 A53 F81F2-N23 WeakPolarHBondContact CD1-O 3.48Å; F2-A53 HydrophobicContact CD2-CB 4.38Å; F2-A53 HydrophobicContact CE1-CB 4.22Å; F2-A53 HydrophobicContact CE2-CB 3.2Å; F2-A53 HydrophobicContact CZ-CB 3.12Å; F2-F81 HydrophobicContact CE2-CE1 4Å; F2-F81 HydrophobicContact CE2-CE2 4.49Å; F2-F81 AromaticContact CE2-CZ 3.93Å; F2-F81 HydrophobicContact CE2-CZ 3.93Å; F2-F81 HydrophobicContact CZ-CE1 4.39Å; F2-F81 HydrophobicContact CZ-CZ 4.36Å
3C52.4Low66.3Low47 Ų4752.5 Ų52.532%0.31827%0.274SS..  trans-170.8124.6158.2-165.60000109.2C5 L6C3-C5 PolarHBondContact O-N 3.38Å; C3-L6 HydrophobicContact CB-CB 4.19Å; C3-L6 HydrophobicContact CB-CD1 3.81Å; C3-L6 HydrophobicContact CB-CG 3.96Å
4S48.3Very low67.6Low40 Ų4053.6 Ų53.628%0.2828%0.284SS..THydrogen-bonded Turntrans-66.3-8.517554.70000114.1M7 N36S4-M7 WeakPolarHBondContact O-CE 3.47Å; S4-N36 PolarHBondContact O-ND2 3.01Å
5C56.4Low68.7Low80 Ų8057.1 Ų57.154%0.54131%0.311SS..THydrogen-bonded Turntrans-100.2-38.1-178.8-60.20000112.6C3 M7C3-C5 PolarHBondContact O-N 3.38Å; C5-M7 PolarHBondContact O-N 2.77Å
6L66.8Low69.9Low48 Ų4869.4 Ų69.425%0.25135%0.352SS..Hα-helixtrans-72.7-30.8-173-68.1171.3000112.9C3 N8 Q9 F10C3-L6 HydrophobicContact CB-CB 4.19Å; C3-L6 HydrophobicContact CB-CD1 3.81Å; C3-L6 HydrophobicContact CB-CG 3.96Å; L6-N8 VanDerWaalsContact C-N 3.27Å; L6-N8 PolarHBondContact O-N 2.98Å; L6-Q9 PolarHBondContact O-N 3.32Å; L6-F10 HydrophobicContact CB-CD2 4.37Å; L6-F10 HydrophobicContact CB-CE2 3.95Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 3.25Å; L6-F10 PolarHBondContact O-N 3.42Å
7M74.1Confident71Confident6 Ų667.8 Ų67.83%0.0335%0.346CS..Hα-helixtrans-59.6-37.8-17770.7-141.9-179.500112.8S4 C5 F10 A11 I20 A22 I33 N36 I37 V46S4-M7 WeakPolarHBondContact O-CE 3.47Å; C5-M7 PolarHBondContact O-N 2.77Å; M7-F10 PolarHBondContact O-N 3.23Å; M7-A11 WeakPolarHBondContact O-CB 3.35Å; M7-A11 PolarHBondContact O-N 2.69Å; M7-I20 HydrophobicContact CB-CG2 4.22Å; M7-A22 HydrophobicContact CB-CB 4.34Å; M7-A22 HydrophobicContact SD-CB 3.83Å; M7-I33 HydrophobicContact CE-CB 4.09Å; M7-I33 HydrophobicContact CE-CG1 4.09Å; M7-I33 HydrophobicContact CE-CG2 3.81Å; M7-I33 HydrophobicContact SD-CB 4.32Å; M7-I33 HydrophobicContact SD-CG1 3.99Å; M7-I33 HydrophobicContact SD-CG2 3.73Å; M7-N36 HydrophobicContact CE-CB 3.63Å; M7-I37 HydrophobicContact CE-CG1 4.32Å; M7-V46 HydrophobicContact CB-CG1 4.3Å; M7-V46 HydrophobicContact CG-CG1 4.35Å
8N70.1Confident72.2Confident13 Ų1377.1 Ų77.17%0.0738%0.376CS..Hα-helixtrans-71.9-37.6-178.6-69.8-6.1000110.8L6 A11 K12 N36 N40L6-N8 VanDerWaalsContact C-N 3.27Å; L6-N8 PolarHBondContact O-N 2.98Å; N8-A11 PolarHBondContact O-N 3.26Å; N8-K12 WeakPolarHBondContact O-CB 3.38Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 PolarHBondContact O-N 2.74Å; N8-N36 PolarHBondContact ND2-O 3.23Å; N8-N36 VanDerWaalsContact ND2-O 3.1Å; N8-N40 PolarHBondContact ND2-ND2 2.96Å
9Q76.8Confident73.3Confident92 Ų9279.4 Ų79.443%0.4339%0.386SS..Hα-helixtrans-64.6-46.2174.1-67.9-178.7-39.400110.7L6 A11 K12 E13L6-Q9 PolarHBondContact O-N 3.32Å; Q9-A11 VanDerWaalsContact C-N 3.3Å; Q9-A11 PolarHBondContact O-N 2.71Å; Q9-K12 PolarHBondContact O-N 3.02Å; Q9-E13 VanDerWaalsContact O-CB 3.25Å; Q9-E13 WeakPolarHBondContact O-CB 3.27Å; Q9-E13 WeakPolarHBondContact O-CG 3.37Å; Q9-E13 PolarHBondContact O-N 2.65Å
10F82Confident74.3Confident69 Ų6976.5 Ų76.530%0.30337%0.372SS..Hα-helixtrans-59.8-41175.3-67-42.9000112.4L6 M7 K12 V14 I20 M96L6-F10 HydrophobicContact CB-CD2 4.37Å; L6-F10 HydrophobicContact CB-CE2 3.95Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 3.25Å; L6-F10 PolarHBondContact O-N 3.42Å; M7-F10 PolarHBondContact O-N 3.23Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.37Å; F10-V14 HydrophobicContact CD1-CG2 4Å; F10-V14 WeakPolarHBondContact O-CB 3.49Å; F10-V14 PolarHBondContact O-N 3.19Å; F10-I20 HydrophobicContact CB-CD1 3.79Å; F10-M96 HydrophobicContact CZ-CE 4.01Å
11A79.3Confident75.2Confident13 Ų1373.8 Ų73.811%0.10736%0.36CS..Hα-helixtrans-65.6-36.2178.900000112.9M7 N8 Q9 I20 V42 L45 V46M7-A11 WeakPolarHBondContact O-CB 3.35Å; M7-A11 PolarHBondContact O-N 2.69Å; N8-A11 PolarHBondContact O-N 3.26Å; Q9-A11 VanDerWaalsContact C-N 3.3Å; Q9-A11 PolarHBondContact O-N 2.71Å; A11-I20 VanDerWaalsContact CA-CD1 3.49Å; A11-I20 HydrophobicContact CB-CD1 3.7Å; A11-I20 VanDerWaalsContact N-CD1 3.32Å; A11-V42 HydrophobicContact CB-CB 3.9Å; A11-V42 HydrophobicContact CB-CG1 3.61Å; A11-V42 HydrophobicContact CB-CG2 4.39Å; A11-L45 HydrophobicContact CB-CD1 4.25Å; A11-V46 HydrophobicContact CB-CG2 4.07Å
12K81.9Confident77.5Confident118 Ų11872.4 Ų72.451%0.51335%0.354SS..Hα-helixtrans-88.9-34.8-176-72.2-178.1169.5-177.40113.9N8 Q9 F10 N40 V42N8-K12 WeakPolarHBondContact O-CB 3.38Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 PolarHBondContact O-N 2.74Å; Q9-K12 PolarHBondContact O-N 3.02Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.37Å; K12-N40 VanDerWaalsContact CE-O 3.25Å; K12-N40 WeakPolarHBondContact CE-O 3.4Å; K12-N40 PolarHBondContact NZ-OD1 3.41Å; K12-V42 HydrophobicContact CG-CG1 4.38Å
13E80.7Confident79.7Confident86 Ų8670.8 Ų70.840%0.40235%0.347SS..Hα-helixtrans-106.8-19.8-166.3-59.5172.6-158.200113.2Q9 P15 M265Q9-E13 VanDerWaalsContact O-CB 3.25Å; Q9-E13 WeakPolarHBondContact O-CB 3.27Å; Q9-E13 WeakPolarHBondContact O-CG 3.37Å; Q9-E13 PolarHBondContact O-N 2.65Å; E13-P15 WeakPolarHBondContact O-CD 3.46Å; E13-M265 HydrophobicContact CB-CE 4.38Å; E13-M265 HydrophobicContact CG-CE 4.26Å
14V83.9Confident81.6Confident68 Ų6870.4 Ų70.441%0.41234%0.342SS..SBendtrans-98.3114.7-179.2-174.10000110.1F10 V17F10-V14 HydrophobicContact CD1-CG2 4Å; F10-V14 WeakPolarHBondContact O-CB 3.49Å; F10-V14 PolarHBondContact O-N 3.19Å; V14-V17 HydrophobicContact CB-CG2 3.72Å; V14-V17 HydrophobicContact CG1-CG2 3.57Å; V14-V17 WeakPolarHBondContact O-CG2 3.19Å
15P83.8Confident83.7Confident106 Ų10673.8 Ų73.869%0.68836%0.356SS*.THydrogen-bonded Turntrans-70.1150.6179.929.3-34.7000111.3E13 V17E13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-V17 VanDerWaalsContact C-N 3.28Å; P15-V17 PolarHBondContact O-N 2.91Å
16R87.8Confident85.4Confident254 Ų25472 Ų7296%0.95835%0.345SS*.THydrogen-bonded Turntrans65.719.9172.2-50.4176.8-176.3-179.60.3115.6R18R16-R18 PolarHBondContact O-N 3.3Å
17V89.9Confident86.6Confident42 Ų4273.1 Ų73.126%0.25536%0.357SS..  trans-69125.7171.7179.20000109.7V14 P15 I20V14-V17 HydrophobicContact CB-CG2 3.72Å; V14-V17 HydrophobicContact CG1-CG2 3.57Å; V14-V17 WeakPolarHBondContact O-CG2 3.19Å; P15-V17 VanDerWaalsContact C-N 3.28Å; P15-V17 PolarHBondContact O-N 2.91Å; V17-I20 HydrophobicContact CG1-CD1 3.96Å; V17-I20 HydrophobicContact CG1-CG1 3.47Å; V17-I20 VanDerWaalsContact CG1-CG1 3.47Å
18R91.6Very high87.4Confident235 Ų23579.5 Ų79.589%0.88739%0.387SS*.  trans-79.7-44.4177179-178.5174.6-175.5-1.3112.3R16R16-R18 PolarHBondContact O-N 3.3Å
19Q92.7Very high88.4Confident121 Ų12180 Ų8057%0.56539%0.392SS*.  trans-158.7143.7-177.3-173.5175.355.400109.5V21 L45Q19-V21 HydrophobicContact CG-CG2 4.49Å; Q19-L45 CarbonylContact C-O 3.6Å; Q19-L45 WeakPolarHBondContact CA-O 3.46Å
20I93.6Very high89.1Confident22 Ų2275.9 Ų75.911%0.11337%0.374CS..EExtended strand (participates in β ladder)trans-120123.1173.8-61169.1000106.8M7 F10 A11 V17 L45 V46 L47M7-I20 HydrophobicContact CB-CG2 4.22Å; F10-I20 HydrophobicContact CB-CD1 3.79Å; A11-I20 VanDerWaalsContact CA-CD1 3.49Å; A11-I20 HydrophobicContact CB-CD1 3.7Å; A11-I20 VanDerWaalsContact N-CD1 3.32Å; V17-I20 HydrophobicContact CG1-CD1 3.96Å; V17-I20 HydrophobicContact CG1-CG1 3.47Å; V17-I20 VanDerWaalsContact CG1-CG1 3.47Å; I20-L45 PolarHBondContact N-O 3.21Å; I20-V46 HydrophobicContact CB-CG2 4.21Å; I20-V46 HydrophobicContact CD1-CG2 4.34Å; I20-V46 HydrophobicContact CG2-CG1 4.42Å; I20-V46 CarbonylContact O-C 3.57Å; I20-V46 VanDerWaalsContact O-CA 3.29Å; I20-V46 WeakPolarHBondContact O-CA 3.18Å; I20-L47 PolarHBondContact O-N 3.46Å
21V94Very high89.6Confident19 Ų1976.7 Ų76.712%0.11538%0.378CS..EExtended strand (participates in β ladder)trans-98.6125.3173.4-175.90000108.9M1 Q19 L47 V49 F56 F67M1-V21 HydrophobicContact CE-CB 3.47Å; M1-V21 VanDerWaalsContact CE-CB 3.47Å; M1-V21 HydrophobicContact CE-CG1 3.62Å; M1-V21 HydrophobicContact CE-CG2 4.45Å; M1-V21 HydrophobicContact CG-CG1 4.48Å; M1-V21 WeakPolarHBondContact CG-O 3.38Å; M1-V21 HydrophobicContact SD-CB 3.93Å; M1-V21 HydrophobicContact SD-CG1 3.47Å; M1-V21 WeakPolarHBondContact SD-CG1 3.39Å; Q19-V21 HydrophobicContact CG-CG2 4.49Å; V21-L47 HydrophobicContact CG2-CB 4.46Å; V21-L47 HydrophobicContact CG2-CD2 4.42Å; V21-V49 HydrophobicContact CG1-CB 4.33Å; V21-V49 HydrophobicContact CG1-CG2 3.58Å; V21-F56 HydrophobicContact CG1-CE1 4.06Å; V21-F56 HydrophobicContact CG1-CZ 3.77Å; V21-F67 HydrophobicContact CB-CE1 4.4Å; V21-F67 HydrophobicContact CG2-CE1 3.97Å
22A93.5Very high90.2Very high6 Ų681.5 Ų81.55%0.0540%0.397CS..EExtended strand (participates in β ladder)trans-112.7102.3177.700000109.4M7 I33 V46 L47 P48 V49M7-A22 HydrophobicContact CB-CB 4.34Å; M7-A22 HydrophobicContact SD-CB 3.83Å; A22-I33 HydrophobicContact CB-CD1 4.4Å; A22-I33 HydrophobicContact CB-CG2 3.91Å; A22-V46 HydrophobicContact CB-CG1 4.03Å; A22-L47 PolarHBondContact N-O 3.46Å; A22-P48 CarbonylContact O-C 3.34Å; A22-P48 WeakPolarHBondContact O-CA 3.27Å; A22-V49 PolarHBondContact O-N 2.9Å
23N94Very high90.6Very high2 Ų276 Ų761%0.01137%0.373CS..EExtended strand (participates in β ladder)trans-107.2135.5-177.4178.274.1000111.7M1 F2 V49 K51M1-N23 HydrophobicContact CB-CB 3.95Å; M1-N23 HydrophobicContact CG-CB 3.69Å; M1-N23 HydrophobicContact SD-CB 3.25Å; M1-N23 WeakPolarHBondContact SD-CB 3.48Å; F2-N23 WeakPolarHBondContact CD1-O 3.48Å; N23-V49 VanDerWaalsContact CA-O 3.27Å; N23-V49 WeakPolarHBondContact CA-O 3.2Å; N23-V49 HydrophobicContact CB-CB 4.14Å; N23-V49 WeakPolarHBondContact OD1-CG1 3.25Å; N23-V49 PolarHBondContact OD1-O 2.76Å; N23-K51 PolarHBondContact ND2-O 3.3Å; N23-K51 WeakPolarHBondContact OD1-CA 3.2Å; N23-K51 PolarHBondContact OD1-N 3.17Å; N23-K51 PolarHBondContact OD1-O 3.17Å; N23-K51 VanDerWaalsContact OD1-O 3.11Å
24D92.5Very high91.1Very high38 Ų3876 Ų7620%0.20337%0.372CS..  trans-140.2149.7166.7-157-69.2000110.7S26 A29 V30 I33 V49 N50 K51D24-S26 WeakPolarHBondContact OD1-CB 3.29Å; D24-S26 PolarHBondContact OD1-N 3.28Å; D24-A29 HydrophobicContact CB-CB 3.95Å; D24-V30 HydrophobicContact CB-CG2 3.94Å; D24-I33 HydrophobicContact CB-CD1 4.25Å; D24-V49 PolarHBondContact N-O 3.36Å; D24-V49 VanDerWaalsContact N-O 3.11Å; D24-N50 WeakPolarHBondContact O-CA 3.31Å; D24-N50 PolarHBondContact O-ND2 2.9Å; D24-K51 PolarHBondContact O-N 3.5Å
25L91.9Very high91.5Very high111 Ų11179.9 Ų79.958%0.58138%0.379SS*.SBendtrans-74.5-32.4175.4-179.565.1000111.4S27 N50 E52L25-S27 PolarHBondContact O-N 2.86Å; L25-N50 VanDerWaalsContact C-ND2 3.26Å; L25-N50 PolarHBondContact O-ND2 3.19Å; L25-E52 HydrophobicContact CD1-CB 4.08Å; L25-E52 HydrophobicContact CD1-CG 4.47Å
26S91.9Very high91.8Very high42 Ų4277.2 Ų77.229%0.29436%0.359SS..  trans-77.9117.9-179.3176.50000110.8D24 Q28 A29 V30D24-S26 WeakPolarHBondContact OD1-CB 3.29Å; D24-S26 PolarHBondContact OD1-N 3.28Å; S26-Q28 PolarHBondContact O-N 3.43Å; S26-Q28 PolarHBondContact OG-N 2.83Å; S26-A29 WeakPolarHBondContact O-CB 3.37Å; S26-A29 PolarHBondContact O-N 2.87Å; S26-A29 PolarHBondContact OG-N 3.24Å; S26-V30 PolarHBondContact O-N 2.81Å
27S92.6Very high91.9Very high73 Ų7365.4 Ų65.451%0.5132%0.315SS..Hα-helixtrans-55.7-37.7173.855.40000112L25 A29 V30 E31L25-S27 PolarHBondContact O-N 2.86Å; S27-A29 PolarHBondContact O-N 2.88Å; S27-V30 PolarHBondContact O-N 3.16Å; S27-E31 PolarHBondContact O-N 3.49Å
28Q91.7Very high92Very high140 Ų14069.2 Ų69.265%0.65433%0.33SS*.Hα-helixtrans-62.4-42.7175.1-64.6178.213.200111.9S26 V30 E31 F32S26-Q28 PolarHBondContact O-N 3.43Å; S26-Q28 PolarHBondContact OG-N 2.83Å; Q28-V30 VanDerWaalsContact C-N 3.3Å; Q28-V30 PolarHBondContact O-N 3.33Å; Q28-E31 PolarHBondContact O-N 3.48Å; Q28-F32 WeakPolarHBondContact O-CD2 3.46Å; Q28-F32 PolarHBondContact O-N 3.23Å
29A90.1Very high91.9Very high23 Ų2361.8 Ų61.819%0.1931%0.314CS..Hα-helixtrans-64.7-37.717700000111.3D24 S26 S27 F32 I33D24-A29 HydrophobicContact CB-CB 3.95Å; S26-A29 WeakPolarHBondContact O-CB 3.37Å; S26-A29 PolarHBondContact O-N 2.87Å; S26-A29 PolarHBondContact OG-N 3.24Å; S27-A29 PolarHBondContact O-N 2.88Å; A29-F32 WeakPolarHBondContact O-CB 3.29Å; A29-F32 PolarHBondContact O-N 2.77Å; A29-I33 VanDerWaalsContact O-CG1 3.29Å; A29-I33 WeakPolarHBondContact O-CG1 3.34Å; A29-I33 PolarHBondContact O-N 2.96Å
30V91.3Very high91.7Very high6 Ų657.9 Ų57.94%0.03630%0.297CS..Hα-helixtrans-66.3-37.4175.3177.90000112.1D24 S26 S27 Q28 I33 K34 P48 V49 N50D24-V30 HydrophobicContact CB-CG2 3.94Å; S26-V30 PolarHBondContact O-N 2.81Å; S27-V30 PolarHBondContact O-N 3.16Å; Q28-V30 VanDerWaalsContact C-N 3.3Å; Q28-V30 PolarHBondContact O-N 3.33Å; V30-I33 WeakPolarHBondContact O-CB 3.39Å; V30-I33 PolarHBondContact O-N 2.98Å; V30-K34 WeakPolarHBondContact O-CG 3.24Å; V30-K34 PolarHBondContact O-N 2.98Å; V30-P48 HydrophobicContact CG1-CB 4.18Å; V30-V49 WeakPolarHBondContact CG2-O 3.47Å; V30-N50 HydrophobicContact CB-CB 4.34Å; V30-N50 HydrophobicContact CG1-CB 4.31Å; V30-N50 HydrophobicContact CG2-CB 3.81Å
31E92.7Very high91.5Very high86 Ų8663 Ų6340%0.40233%0.325SS..Hα-helixtrans-63.4-40.1171.8-72.4-56.4130.900112.2S27 Q28 I33 K34 R35S27-E31 PolarHBondContact O-N 3.49Å; Q28-E31 PolarHBondContact O-N 3.48Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-K34 PolarHBondContact O-N 2.97Å; E31-K34 IonicContact OE1-NZ 2.88Å; E31-K34 PolarHBondContact OE1-NZ 3.36Å; E31-R35 WeakPolarHBondContact O-CG 3.42Å; E31-R35 PolarHBondContact O-N 3.22Å
32F91.5Very high91.3Very high114 Ų11462.5 Ų62.550%0.532%0.321SS..Hα-helixtrans-63.6-39.5171.5-74.9-66.2000112.3Q28 A29 R35 N36Q28-F32 WeakPolarHBondContact O-CD2 3.46Å; Q28-F32 PolarHBondContact O-N 3.23Å; A29-F32 WeakPolarHBondContact O-CB 3.29Å; A29-F32 PolarHBondContact O-N 2.77Å; F32-R35 PolarHBondContact O-N 3.49Å; F32-N36 WeakPolarHBondContact O-CB 3.25Å; F32-N36 PolarHBondContact O-N 3.35Å
33I90.4Very high91.1Very high3 Ų367 Ų672%0.01534%0.341CS..Hα-helixtrans-58.2-50.3174.1-72.1165.3000109.9M7 A22 D24 A29 V30 E31 R35 N36 I37 P48M7-I33 HydrophobicContact CE-CB 4.09Å; M7-I33 HydrophobicContact CE-CG1 4.09Å; M7-I33 HydrophobicContact CE-CG2 3.81Å; M7-I33 HydrophobicContact SD-CB 4.32Å; M7-I33 HydrophobicContact SD-CG1 3.99Å; M7-I33 HydrophobicContact SD-CG2 3.73Å; A22-I33 HydrophobicContact CB-CD1 4.4Å; A22-I33 HydrophobicContact CB-CG2 3.91Å; D24-I33 HydrophobicContact CB-CD1 4.25Å; A29-I33 VanDerWaalsContact O-CG1 3.29Å; A29-I33 WeakPolarHBondContact O-CG1 3.34Å; A29-I33 PolarHBondContact O-N 2.96Å; V30-I33 WeakPolarHBondContact O-CB 3.39Å; V30-I33 PolarHBondContact O-N 2.98Å; E31-I33 VanDerWaalsContact C-N 3.34Å; I33-R35 VanDerWaalsContact C-N 3.35Å; I33-R35 PolarHBondContact O-N 3.37Å; I33-N36 PolarHBondContact O-N 3.36Å; I33-N36 VanDerWaalsContact O-N 3.11Å; I33-I37 HydrophobicContact CG2-CD1 3.68Å; I33-I37 HydrophobicContact CG2-CG1 4.27Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.43Å; I33-P48 HydrophobicContact CG2-CB 3.9Å
34K92.1Very high91Very high84 Ų8473 Ų7337%0.36537%0.374SS..Hα-helixtrans-56.3-46.3178.3-71.6172.8-176172.60112.3V30 E31 N36 I37 Q38 P48V30-K34 WeakPolarHBondContact O-CG 3.24Å; V30-K34 PolarHBondContact O-N 2.98Å; E31-K34 PolarHBondContact O-N 2.97Å; E31-K34 IonicContact OE1-NZ 2.88Å; E31-K34 PolarHBondContact OE1-NZ 3.36Å; K34-N36 VanDerWaalsContact C-N 3.33Å; K34-N36 PolarHBondContact O-N 3.38Å; K34-I37 PolarHBondContact O-N 3.46Å; K34-Q38 WeakPolarHBondContact O-CG 3.4Å; K34-Q38 PolarHBondContact O-N 3.1Å; K34-Q38 VanDerWaalsContact O-N 3.1Å; K34-P48 HydrophobicContact CG-CB 4.03Å; K34-P48 HydrophobicContact CG-CG 3.87Å
35R91.9Very high91Very high151 Ų15173 Ų7357%0.5737%0.374SS*.Hα-helixtrans-62.8-39.3176.7-69.1177-172.21791.5112.4E31 F32 I33 Q38 S39E31-R35 WeakPolarHBondContact O-CG 3.42Å; E31-R35 PolarHBondContact O-N 3.22Å; F32-R35 PolarHBondContact O-N 3.49Å; I33-R35 VanDerWaalsContact C-N 3.35Å; I33-R35 PolarHBondContact O-N 3.37Å; R35-Q38 PolarHBondContact O-N 3.44Å; R35-S39 WeakPolarHBondContact O-CB 3.36Å; R35-S39 PolarHBondContact O-N 3.19Å; R35-S39 PolarHBondContact O-OG 2.84Å
36N89.6Confident91Very high49 Ų4968.1 Ų68.126%0.26235%0.348SS..Hα-helixtrans-70-32.5178.1-80.2-1.1000113S4 M7 N8 F32 I33 K34 S39 N40S4-N36 PolarHBondContact O-ND2 3.01Å; M7-N36 HydrophobicContact CE-CB 3.63Å; N8-N36 PolarHBondContact ND2-O 3.23Å; N8-N36 VanDerWaalsContact ND2-O 3.1Å; F32-N36 WeakPolarHBondContact O-CB 3.25Å; F32-N36 PolarHBondContact O-N 3.35Å; I33-N36 PolarHBondContact O-N 3.36Å; I33-N36 VanDerWaalsContact O-N 3.11Å; K34-N36 VanDerWaalsContact C-N 3.33Å; K34-N36 PolarHBondContact O-N 3.38Å; N36-S39 WeakPolarHBondContact CA-OG 3.47Å; N36-S39 PolarHBondContact O-OG 2.98Å; N36-N40 WeakPolarHBondContact O-CB 3.4Å; N36-N40 PolarHBondContact O-N 2.83Å; N36-N40 PolarHBondContact O-ND2 3.24Å
37I90.9Very high91Very high6 Ų669.8 Ų69.83%0.03135%0.353CS..Hα-helixtrans-64.3-49.7173.4-68.4166.8000108.7M7 I33 K34 S39 N40 D41 V42 E43 V46 P48M7-I37 HydrophobicContact CE-CG1 4.32Å; I33-I37 HydrophobicContact CG2-CD1 3.68Å; I33-I37 HydrophobicContact CG2-CG1 4.27Å; I33-I37 VanDerWaalsContact O-CG1 3.24Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.43Å; K34-I37 PolarHBondContact O-N 3.46Å; I37-S39 PolarHBondContact O-N 3.31Å; I37-N40 PolarHBondContact O-N 2.96Å; I37-D41 PolarHBondContact O-N 3.1Å; I37-V42 HydrophobicContact CB-CG2 4.38Å; I37-V42 HydrophobicContact CG2-CG2 4.08Å; I37-V42 PolarHBondContact O-N 2.88Å; I37-E43 VanDerWaalsContact CG2-CA 3.47Å; I37-E43 HydrophobicContact CG2-CB 4.17Å; I37-E43 HydrophobicContact CG2-CG 3.79Å; I37-V46 HydrophobicContact CD1-CB 3.85Å; I37-V46 HydrophobicContact CD1-CG1 3.52Å; I37-V46 HydrophobicContact CG1-CB 3.9Å; I37-V46 HydrophobicContact CG1-CG1 3.81Å; I37-V46 HydrophobicContact CG2-CB 4.4Å; I37-P48 HydrophobicContact CD1-CB 4.18Å; I37-P48 HydrophobicContact CD1-CG 4.12Å
38Q90.6Very high91.1Very high122 Ų12268.2 Ų68.257%0.5734%0.341SS*.Hα-helixtrans-61.4-41.8178.8-71.1174.2-1900113K34 R35 N40 E43K34-Q38 WeakPolarHBondContact O-CG 3.4Å; K34-Q38 PolarHBondContact O-N 3.1Å; K34-Q38 VanDerWaalsContact O-N 3.1Å; R35-Q38 PolarHBondContact O-N 3.44Å; Q38-N40 PolarHBondContact O-N 3.17Å; Q38-E43 WeakPolarHBondContact CA-OE1 3.44Å
39S90.3Very high91.2Very high79 Ų7962.5 Ų62.555%0.55232%0.316SS*.THydrogen-bonded Turntrans-72.6-8.3-179.866.30000114.4R35 N36 I37R35-S39 WeakPolarHBondContact O-CB 3.36Å; R35-S39 PolarHBondContact O-N 3.19Å; R35-S39 PolarHBondContact O-OG 2.84Å; N36-S39 WeakPolarHBondContact CA-OG 3.47Å; N36-S39 PolarHBondContact O-OG 2.98Å; I37-S39 PolarHBondContact O-N 3.31Å
40N88.1Confident91.4Very high40 Ų4065.2 Ų65.221%0.21433%0.327CS..THydrogen-bonded Turntrans-117.91.5-177.7-77.8-92.8000113.5N8 K12 N36 I37 Q38 V42N8-N40 PolarHBondContact ND2-ND2 2.96Å; K12-N40 VanDerWaalsContact CE-O 3.25Å; K12-N40 WeakPolarHBondContact CE-O 3.4Å; K12-N40 PolarHBondContact NZ-OD1 3.41Å; N36-N40 WeakPolarHBondContact O-CB 3.4Å; N36-N40 PolarHBondContact O-N 2.83Å; N36-N40 PolarHBondContact O-ND2 3.24Å; I37-N40 PolarHBondContact O-N 2.96Å; Q38-N40 PolarHBondContact O-N 3.17Å; N40-V42 HydrophobicContact CB-CG2 4.12Å
41D89.6Confident91.5Very high130 Ų13069 Ų6970%0.69534%0.343SS*.THydrogen-bonded Turntrans5647.4180-51.3-58.7000113I37 E43I37-D41 PolarHBondContact O-N 3.1Å; D41-E43 VanDerWaalsContact C-OE2 3.31Å; D41-E43 WeakPolarHBondContact CA-OE2 3.24Å
42V90Very high91.6Very high7 Ų767.8 Ų67.84%0.04234%0.338CS..  trans-123.219.4-176.2-65.50000113.8A11 K12 I37 N40 N44 L45 V46A11-V42 HydrophobicContact CB-CB 3.9Å; A11-V42 HydrophobicContact CB-CG1 3.61Å; A11-V42 HydrophobicContact CB-CG2 4.39Å; K12-V42 HydrophobicContact CG-CG1 4.38Å; I37-V42 HydrophobicContact CB-CG2 4.38Å; I37-V42 HydrophobicContact CG2-CG2 4.08Å; I37-V42 PolarHBondContact O-N 2.88Å; N40-V42 HydrophobicContact CB-CG2 4.12Å; V42-N44 PolarHBondContact O-N 3.46Å; V42-L45 PolarHBondContact O-N 2.91Å; V42-V46 HydrophobicContact CB-CG2 4.09Å; V42-V46 HydrophobicContact CG2-CG2 3.83Å; V42-V46 PolarHBondContact O-N 3.41Å
43E90.3Very high91.7Very high100 Ų10062.5 Ų62.547%0.46732%0.315SS..THydrogen-bonded Turntrans-57-32.9179.9-68.688.4147.300113.1I37 Q38 D41 L45I37-E43 VanDerWaalsContact CG2-CA 3.47Å; I37-E43 HydrophobicContact CG2-CB 4.17Å; I37-E43 HydrophobicContact CG2-CG 3.79Å; Q38-E43 WeakPolarHBondContact CA-OE1 3.44Å; D41-E43 VanDerWaalsContact C-OE2 3.31Å; D41-E43 WeakPolarHBondContact CA-OE2 3.24Å; E43-L45 PolarHBondContact O-N 3.22Å
44N91.6Very high91.9Very high129 Ų12963.7 Ų63.769%0.6932%0.322SS*.THydrogen-bonded Turntrans-71.8-19.217964.3-42.2000113.2V42V42-N44 PolarHBondContact O-N 3.46Å
45L91.8Very high92.1Very high39 Ų3962.9 Ų62.920%0.20433%0.328CS..THydrogen-bonded Turntrans-108.8-34.9-176.8-65177.2000112.5A11 Q19 I20 V42 E43A11-L45 HydrophobicContact CB-CD1 4.25Å; Q19-L45 CarbonylContact C-O 3.6Å; Q19-L45 WeakPolarHBondContact CA-O 3.46Å; I20-L45 PolarHBondContact N-O 3.21Å; V42-L45 PolarHBondContact O-N 2.91Å; E43-L45 PolarHBondContact O-N 3.22Å
46V91.8Very high92.3Very high7 Ų756.2 Ų56.24%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-104.9121.1-169-170.10000112.1M7 A11 I20 A22 I37 V42 P48M7-V46 HydrophobicContact CB-CG1 4.3Å; M7-V46 HydrophobicContact CG-CG1 4.35Å; A11-V46 HydrophobicContact CB-CG2 4.07Å; I20-V46 HydrophobicContact CB-CG2 4.21Å; I20-V46 HydrophobicContact CD1-CG2 4.34Å; I20-V46 HydrophobicContact CG2-CG1 4.42Å; I20-V46 CarbonylContact O-C 3.57Å; I20-V46 VanDerWaalsContact O-CA 3.29Å; I20-V46 WeakPolarHBondContact O-CA 3.18Å; A22-V46 HydrophobicContact CB-CG1 4.03Å; I37-V46 HydrophobicContact CD1-CB 3.85Å; I37-V46 HydrophobicContact CD1-CG1 3.52Å; I37-V46 HydrophobicContact CG1-CB 3.9Å; I37-V46 HydrophobicContact CG1-CG1 3.81Å; I37-V46 HydrophobicContact CG2-CB 4.4Å; V42-V46 HydrophobicContact CB-CG2 4.09Å; V42-V46 HydrophobicContact CG2-CG2 3.83Å; V42-V46 PolarHBondContact O-N 3.41Å; V46-P48 WeakPolarHBondContact O-CD 3.38Å
47L93.1Very high92.6Very high77 Ų7754.3 Ų54.340%0.40329%0.292SS..EExtended strand (participates in β ladder)trans-99.3111.2173.6179.964.8000110.8I20 V21 A22 V49I20-L47 PolarHBondContact O-N 3.46Å; V21-L47 HydrophobicContact CG2-CB 4.46Å; V21-L47 HydrophobicContact CG2-CD2 4.42Å; A22-L47 PolarHBondContact N-O 3.46Å; L47-V49 HydrophobicContact CD2-CG2 4.19Å; L47-V49 HydrophobicContact CG-CG2 4.04Å
48P93.4Very high92.9Very high40 Ų4057.6 Ų57.626%0.2631%0.305SS..EExtended strand (participates in β ladder)trans-75.8131.1172.129.3-32.5000111.4A22 V30 I33 K34 I37 V46A22-P48 CarbonylContact O-C 3.34Å; A22-P48 WeakPolarHBondContact O-CA 3.27Å; V30-P48 HydrophobicContact CG1-CB 4.18Å; I33-P48 HydrophobicContact CG2-CB 3.9Å; K34-P48 HydrophobicContact CG-CB 4.03Å; K34-P48 HydrophobicContact CG-CG 3.87Å; I37-P48 HydrophobicContact CD1-CB 4.18Å; I37-P48 HydrophobicContact CD1-CG 4.12Å; V46-P48 WeakPolarHBondContact O-CD 3.38Å
49V94.2Very high93.1Very high20 Ų2056.1 Ų56.112%0.12130%0.298CS..EExtended strand (participates in β ladder)trans-128.5136.6179.5-179.30000110.4V21 A22 N23 D24 V30 L47 K51 F56V21-V49 HydrophobicContact CG1-CB 4.33Å; V21-V49 HydrophobicContact CG1-CG2 3.58Å; A22-V49 PolarHBondContact O-N 2.9Å; N23-V49 VanDerWaalsContact CA-O 3.27Å; N23-V49 WeakPolarHBondContact CA-O 3.2Å; N23-V49 HydrophobicContact CB-CB 4.14Å; N23-V49 WeakPolarHBondContact OD1-CG1 3.25Å; N23-V49 PolarHBondContact OD1-O 2.76Å; D24-V49 PolarHBondContact N-O 3.36Å; D24-V49 VanDerWaalsContact N-O 3.11Å; V30-V49 WeakPolarHBondContact CG2-O 3.47Å; L47-V49 HydrophobicContact CD2-CG2 4.19Å; L47-V49 HydrophobicContact CG-CG2 4.04Å; V49-K51 HydrophobicContact CG1-CB 4.07Å; V49-K51 HydrophobicContact CG1-CD 4.03Å; V49-K51 HydrophobicContact CG1-CG 3.93Å; V49-F56 HydrophobicContact CG1-CD2 3.98Å; V49-F56 HydrophobicContact CG1-CE2 3.79Å; V49-F56 HydrophobicContact CG2-CE2 4.34Å; V49-F56 HydrophobicContact CG2-CZ 4.46Å
50N94.5Very high93.4Very high81 Ų8154.5 Ų54.543%0.43328%0.281SS..  trans-111.480.9174.8-171.4-146000111.4D24 L25 V30D24-N50 WeakPolarHBondContact O-CA 3.31Å; D24-N50 PolarHBondContact O-ND2 2.9Å; L25-N50 VanDerWaalsContact C-ND2 3.26Å; L25-N50 PolarHBondContact O-ND2 3.19Å; V30-N50 HydrophobicContact CB-CB 4.34Å; V30-N50 HydrophobicContact CG1-CB 4.31Å; V30-N50 HydrophobicContact CG2-CB 3.81Å
51K94.2Very high93.7Very high85 Ų8559.3 Ų59.337%0.3730%0.297SS..SBendtrans-139.1159.2179.3-74.2-177.7167.6-158.90112N23 D24 V49 A53 F56 E59N23-K51 PolarHBondContact ND2-O 3.3Å; N23-K51 WeakPolarHBondContact OD1-CA 3.2Å; N23-K51 PolarHBondContact OD1-N 3.17Å; N23-K51 PolarHBondContact OD1-O 3.17Å; N23-K51 VanDerWaalsContact OD1-O 3.11Å; D24-K51 PolarHBondContact O-N 3.5Å; V49-K51 HydrophobicContact CG1-CB 4.07Å; V49-K51 HydrophobicContact CG1-CD 4.03Å; V49-K51 HydrophobicContact CG1-CG 3.93Å; K51-A53 PolarHBondContact O-N 2.77Å; K51-F56 HydrophobicContact CB-CB 4.13Å; K51-F56 HydrophobicContact CB-CD2 4.32Å; K51-F56 HydrophobicContact CD-CD2 3.63Å; K51-F56 HydrophobicContact CD-CE2 4.38Å; K51-E59 IonicContact NZ-OE1 2.79Å; K51-E59 PolarHBondContact NZ-OE1 3.43Å; K51-E59 IonicContact NZ-OE2 2.93Å; K51-E59 PolarHBondContact NZ-OE2 3.04Å
52E93.8Very high93.9Very high60 Ų6055.3 Ų55.328%0.2828%0.282SS..  trans-65.8126.2166.1-160.9-70.9137.400108.7L25 T54 S55 F56L25-E52 HydrophobicContact CD1-CB 4.08Å; L25-E52 HydrophobicContact CD1-CG 4.47Å; E52-T54 VanDerWaalsContact C-N 3.34Å; E52-T54 VanDerWaalsContact CD-N 3.35Å; E52-T54 PolarHBondContact O-N 3.21Å; E52-T54 PolarHBondContact OE1-N 3.09Å; E52-T54 PolarHBondContact OE1-OG1 2.99Å; E52-T54 VanDerWaalsContact OE2-CA 3.23Å; E52-T54 WeakPolarHBondContact OE2-CA 3.47Å; E52-T54 WeakPolarHBondContact OE2-CB 3.16Å; E52-T54 PolarHBondContact OE2-N 3.32Å; E52-T54 PolarHBondContact OE2-OG1 3.1Å; E52-S55 PolarHBondContact O-N 3.11Å; E52-S55 PolarHBondContact OE2-N 3.07Å; E52-F56 WeakPolarHBondContact O-CB 3.23Å; E52-F56 PolarHBondContact O-N 3.06Å
53A94.3Very high93.9Very high3 Ų361.7 Ų61.73%0.02532%0.315CS..Hα-helixtrans-68.4-30.3-167.700000114.5F2 K51 F56 M57 F81F2-A53 HydrophobicContact CD2-CB 4.38Å; F2-A53 HydrophobicContact CE1-CB 4.22Å; F2-A53 HydrophobicContact CE2-CB 3.2Å; F2-A53 HydrophobicContact CZ-CB 3.12Å; K51-A53 PolarHBondContact O-N 2.77Å; A53-F56 PolarHBondContact O-N 3.15Å; A53-M57 HydrophobicContact CB-CE 4.44Å; A53-M57 WeakPolarHBondContact O-CB 3.46Å; A53-M57 WeakPolarHBondContact O-CE 3.26Å; A53-M57 VanDerWaalsContact O-CG 3.22Å; A53-M57 WeakPolarHBondContact O-CG 3.24Å; A53-M57 PolarHBondContact O-N 2.89Å; A53-F81 HydrophobicContact CB-CD1 4.34Å; A53-F81 HydrophobicContact CB-CE1 4.13Å
54T95Very high94Very high28 Ų2867 Ų6717%0.17234%0.336CS..Hα-helixtrans-64.8-50.7177.4-40.30000109.5E52 F56 M57 Y58 F81 A84E52-T54 VanDerWaalsContact C-N 3.34Å; E52-T54 VanDerWaalsContact CD-N 3.35Å; E52-T54 PolarHBondContact O-N 3.21Å; E52-T54 PolarHBondContact OE1-N 3.09Å; E52-T54 PolarHBondContact OE1-OG1 2.99Å; E52-T54 VanDerWaalsContact OE2-CA 3.23Å; E52-T54 WeakPolarHBondContact OE2-CA 3.47Å; E52-T54 WeakPolarHBondContact OE2-CB 3.16Å; E52-T54 PolarHBondContact OE2-N 3.32Å; E52-T54 PolarHBondContact OE2-OG1 3.1Å; T54-F56 PolarHBondContact O-N 2.91Å; T54-M57 PolarHBondContact O-N 3.28Å; T54-Y58 HydrophobicContact CG2-CD2 3.98Å; T54-Y58 HydrophobicContact CG2-CE2 3.68Å; T54-Y58 WeakPolarHBondContact O-CD2 3.17Å; T54-Y58 PolarHBondContact O-N 2.82Å; T54-F81 WeakPolarHBondContact OG1-CD1 3.34Å; T54-A84 HydrophobicContact CG2-CB 3.89Å
55S95.4Very high94.1Very high68 Ų6866 Ų6648%0.47633%0.328SS..Hα-helixtrans-58.6-47174.4-61.60000111.6E52 M57 Y58 E59E52-S55 PolarHBondContact O-N 3.11Å; E52-S55 PolarHBondContact OE2-N 3.07Å; S55-M57 PolarHBondContact O-N 2.9Å; S55-Y58 PolarHBondContact O-N 2.86Å; S55-Y58 VanDerWaalsContact O-N 3.14Å; S55-E59 WeakPolarHBondContact O-CG 3.34Å; S55-E59 PolarHBondContact O-N 2.69Å
56F96.1Very high94.3Very high10 Ų1067.2 Ų67.24%0.04433%0.33CS..Hα-helixtrans-59.9-44179.4-177-98000112.7M1 V21 V49 K51 E52 A53 T54 Y58 E59 H60 F67M1-F56 HydrophobicContact CE-CD1 4.09Å; M1-F56 HydrophobicContact CE-CE1 3.4Å; M1-F56 VanDerWaalsContact CE-CE1 3.4Å; M1-F56 HydrophobicContact CE-CZ 4.32Å; M1-F56 HydrophobicContact SD-CD1 3.65Å; M1-F56 HydrophobicContact SD-CE1 3.34Å; M1-F56 WeakPolarHBondContact SD-CE1 3.39Å; M1-F56 HydrophobicContact SD-CZ 4.22Å; V21-F56 HydrophobicContact CG1-CE1 4.06Å; V21-F56 HydrophobicContact CG1-CZ 3.77Å; V49-F56 HydrophobicContact CG1-CD2 3.98Å; V49-F56 HydrophobicContact CG1-CE2 3.79Å; V49-F56 HydrophobicContact CG2-CE2 4.34Å; V49-F56 HydrophobicContact CG2-CZ 4.46Å; K51-F56 HydrophobicContact CB-CB 4.13Å; K51-F56 HydrophobicContact CB-CD2 4.32Å; K51-F56 HydrophobicContact CD-CD2 3.63Å; K51-F56 HydrophobicContact CD-CE2 4.38Å; E52-F56 WeakPolarHBondContact O-CB 3.23Å; E52-F56 PolarHBondContact O-N 3.06Å; A53-F56 PolarHBondContact O-N 3.15Å; T54-F56 PolarHBondContact O-N 2.91Å; F56-Y58 VanDerWaalsContact C-N 3.35Å; F56-Y58 PolarHBondContact O-N 2.81Å; F56-E59 WeakPolarHBondContact O-CB 3.41Å; F56-E59 PolarHBondContact O-N 2.81Å; F56-H60 AromaticContact CD2-CE1 3.87Å; F56-H60 AromaticContact CE1-CE1 3.74Å; F56-H60 AromaticContact CE1-ND1 3.85Å; F56-H60 AromaticContact CE2-CE1 3.26Å; F56-H60 WeakPolarHBondContact CE2-CE1 3.25Å; F56-H60 AromaticContact CE2-ND1 3.96Å; F56-H60 AromaticContact CZ-CE1 3.17Å; F56-H60 WeakPolarHBondContact CZ-CE1 2.94Å; F56-H60 AromaticContact CZ-ND1 3.76Å; F56-H60 AromaticContact CZ-NE2 3.7Å; F56-H60 PolarHBondContact O-N 3.44Å; F56-H60 PolarHBondContact O-ND1 3.1Å; F56-F67 HydrophobicContact CE1-CE2 4.21Å; F56-F67 AromaticContact CE1-CZ 3.8Å; F56-F67 HydrophobicContact CE1-CZ 3.8Å; F56-F67 HydrophobicContact CZ-CZ 4.23Å
57M96.8Very high94.5Very high9 Ų968.6 Ų68.64%0.04434%0.335CS..Hα-helixtrans-65-39175.8-74-174-70.100111.8A53 T54 S55 E59 H60 L72 F81 A84 A85 C88A53-M57 HydrophobicContact CB-CE 4.44Å; A53-M57 WeakPolarHBondContact O-CB 3.46Å; A53-M57 WeakPolarHBondContact O-CE 3.26Å; A53-M57 VanDerWaalsContact O-CG 3.22Å; A53-M57 WeakPolarHBondContact O-CG 3.24Å; A53-M57 PolarHBondContact O-N 2.89Å; T54-M57 PolarHBondContact O-N 3.28Å; S55-M57 PolarHBondContact O-N 2.9Å; M57-E59 VanDerWaalsContact C-N 3.32Å; M57-E59 PolarHBondContact O-N 3.16Å; M57-H60 CarbonylContact O-C 3.44Å; M57-H60 PolarHBondContact O-N 3.4Å; M57-H60 VanDerWaalsContact O-N 3.1Å; M57-L72 HydrophobicContact CE-CD2 4.16Å; M57-L72 HydrophobicContact SD-CD2 3.93Å; M57-F81 HydrophobicContact CE-CB 3.95Å; M57-F81 HydrophobicContact CE-CD1 4.2Å; M57-A84 HydrophobicContact CB-CB 3.75Å; M57-A84 HydrophobicContact CE-CB 3.88Å; M57-A84 HydrophobicContact SD-CB 4.5Å; M57-A85 HydrophobicContact SD-CB 3.81Å; M57-C88 HydrophobicContact CB-CB 4.07Å; M57-C88 VanDerWaalsContact O-CB 3.23Å; M57-C88 WeakPolarHBondContact O-CB 3.35Å
58Y96.4Very high94.6Very high76 Ų7670.5 Ų70.530%0.29835%0.346SS..Hα-helixtrans-65-33.4176.1-83.7-57.3000113.7T54 S55 F56 H60 R61 D83 A84 Q87T54-Y58 HydrophobicContact CG2-CD2 3.98Å; T54-Y58 HydrophobicContact CG2-CE2 3.68Å; T54-Y58 WeakPolarHBondContact O-CD2 3.17Å; T54-Y58 PolarHBondContact O-N 2.82Å; S55-Y58 PolarHBondContact O-N 2.86Å; S55-Y58 VanDerWaalsContact O-N 3.14Å; F56-Y58 VanDerWaalsContact C-N 3.35Å; F56-Y58 PolarHBondContact O-N 2.81Å; Y58-H60 PolarHBondContact O-N 3.42Å; Y58-R61 VanDerWaalsContact O-CD 3.31Å; Y58-R61 WeakPolarHBondContact O-CD 3.35Å; Y58-R61 WeakPolarHBondContact O-CG 3.38Å; Y58-R61 PolarHBondContact O-N 3.45Å; Y58-D83 PolarHBondContact OH-OD2 2.75Å; Y58-A84 HydrophobicContact CD1-CB 4.31Å; Y58-A84 HydrophobicContact CD2-CB 3.88Å; Y58-A84 HydrophobicContact CE1-CB 4.19Å; Y58-A84 HydrophobicContact CE2-CB 3.74Å; Y58-A84 HydrophobicContact CG-CB 4.16Å; Y58-Q87 VanDerWaalsContact CE1-NE2 3.34Å
59E95.8Very high94.8Very high91 Ų9172.3 Ų72.343%0.42536%0.356SS..Hα-helixtrans-58.7-34172.2-69.3168.1-179.300110.9K51 S55 F56 M57 R61K51-E59 IonicContact NZ-OE1 2.79Å; K51-E59 PolarHBondContact NZ-OE1 3.43Å; K51-E59 IonicContact NZ-OE2 2.93Å; K51-E59 PolarHBondContact NZ-OE2 3.04Å; S55-E59 WeakPolarHBondContact O-CG 3.34Å; S55-E59 PolarHBondContact O-N 2.69Å; F56-E59 WeakPolarHBondContact O-CB 3.41Å; F56-E59 PolarHBondContact O-N 2.81Å; M57-E59 VanDerWaalsContact C-N 3.32Å; M57-E59 PolarHBondContact O-N 3.16Å; E59-R61 PolarHBondContact O-N 3.34Å
60H95.3Very high94.9Very high44 Ų4471.7 Ų71.720%0.20435%0.352CS..THydrogen-bonded Turntrans-96.227-176-64.574.9000113.9F56 M57 Y58 R66 F67 C88F56-H60 AromaticContact CD2-CE1 3.87Å; F56-H60 AromaticContact CE1-CE1 3.74Å; F56-H60 AromaticContact CE1-ND1 3.85Å; F56-H60 AromaticContact CE2-CE1 3.26Å; F56-H60 WeakPolarHBondContact CE2-CE1 3.25Å; F56-H60 AromaticContact CE2-ND1 3.96Å; F56-H60 AromaticContact CZ-CE1 3.17Å; F56-H60 WeakPolarHBondContact CZ-CE1 2.94Å; F56-H60 AromaticContact CZ-ND1 3.76Å; F56-H60 AromaticContact CZ-NE2 3.7Å; F56-H60 PolarHBondContact O-N 3.44Å; F56-H60 PolarHBondContact O-ND1 3.1Å; M57-H60 CarbonylContact O-C 3.44Å; M57-H60 PolarHBondContact O-N 3.4Å; M57-H60 VanDerWaalsContact O-N 3.1Å; Y58-H60 PolarHBondContact O-N 3.42Å; H60-R66 WeakPolarHBondContact O-CG 3.03Å; H60-F67 HydrophobicContact CB-CD2 4.26Å; H60-F67 HydrophobicContact CB-CE2 3.54Å; H60-F67 HydrophobicContact CB-CZ 4.14Å; H60-F67 AromaticContact CD2-CE2 3.84Å; H60-F67 AromaticContact CD2-CZ 3.48Å; H60-F67 VanDerWaalsContact CD2-CZ 3.48Å; H60-F67 WeakPolarHBondContact CD2-CZ 3.47Å; H60-F67 AromaticContact CG-CE2 3.58Å; H60-F67 AromaticContact CG-CZ 3.68Å; H60-F67 AromaticContact NE2-CZ 3.96Å; H60-C88 HydrophobicContact CB-CB 4.4Å
61R93.9Very high94.9Very high141 Ų14168.5 Ų68.553%0.53234%0.335SS..THydrogen-bonded Turntrans-83.3-16.6-179.772.6-171.9174.6-174.3-3.8114Y58 E59 R66 Q87Y58-R61 VanDerWaalsContact O-CD 3.31Å; Y58-R61 WeakPolarHBondContact O-CD 3.35Å; Y58-R61 WeakPolarHBondContact O-CG 3.38Å; Y58-R61 PolarHBondContact O-N 3.45Å; E59-R61 PolarHBondContact O-N 3.34Å; R61-R66 PolarHBondContact O-NE 2.88Å; R61-R66 PolarHBondContact O-NH2 2.94Å; R61-R66 VanDerWaalsContact O-NH2 3.16Å; R61-Q87 HydrophobicContact CB-CB 4.35Å
62A93.7Very high95Very high47 Ų4764.5 Ų64.539%0.38832%0.318SS..SBendtrans-64.5140.4179.100000110.4K64 E65 R66A62-K64 PolarHBondContact O-N 2.96Å; A62-E65 HydrophobicContact CB-CB 4.4Å; A62-E65 HydrophobicContact CB-CG 4.38Å; A62-E65 PolarHBondContact O-N 3.34Å; A62-R66 WeakPolarHBondContact O-CG 2.82Å; A62-R66 PolarHBondContact O-N 3.48Å
63L91Very high94.9Very high140 Ų14064 Ų6473%0.73332%0.317SS*.THydrogen-bonded Turntrans-51.1-35-169.2-73.8167.6000114.7
64K92.2Very high94.7Very high211 Ų21164.5 Ų64.592%0.91732%0.32SS*.THydrogen-bonded Turntrans-87.1-12.3-177.9-63.8-176.4178.4-179.40114.5A62A62-K64 PolarHBondContact O-N 2.96Å
65E93.4Very high94.3Very high110 Ų11071.9 Ų71.951%0.51435%0.346SS..THydrogen-bonded Turntrans-108.4-2.4-174.2-63177166.500112.4A62A62-E65 HydrophobicContact CB-CB 4.4Å; A62-E65 HydrophobicContact CB-CG 4.38Å; A62-E65 PolarHBondContact O-N 3.34Å
66R95.5Very high94Very high64 Ų6469.6 Ų69.624%0.24233%0.333CS..  trans-65.7150.6178.1-73173.3-172.6-176.20.5111.5H60 R61 A62 Q87 C88 C90H60-R66 WeakPolarHBondContact O-CG 3.03Å; R61-R66 PolarHBondContact O-NE 2.88Å; R61-R66 PolarHBondContact O-NH2 2.94Å; R61-R66 VanDerWaalsContact O-NH2 3.16Å; A62-R66 WeakPolarHBondContact O-CG 2.82Å; A62-R66 PolarHBondContact O-N 3.48Å; R66-Q87 PolarHBondContact NE-O 2.99Å; R66-C88 CarbonylContact C-O 3.41Å; R66-C88 WeakPolarHBondContact CA-O 3.46Å; R66-C88 VanDerWaalsContact CB-O 3.27Å; R66-C88 WeakPolarHBondContact CB-O 3.44Å; R66-C90 HydrophobicContact CB-CB 3.93Å
67F96.7Very high93.9Very high35 Ų3570 Ų7015%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-87.8140.9177.5-61.1-76.4000111.6M1 V21 F56 H60 V69 V70 C88 V89 C90M1-F67 HydrophobicContact CE-CE1 3.88Å; M1-F67 HydrophobicContact CE-CE2 4.03Å; M1-F67 HydrophobicContact CE-CZ 3.62Å; V21-F67 HydrophobicContact CB-CE1 4.4Å; V21-F67 HydrophobicContact CG2-CE1 3.97Å; F56-F67 HydrophobicContact CE1-CE2 4.21Å; F56-F67 AromaticContact CE1-CZ 3.8Å; F56-F67 HydrophobicContact CE1-CZ 3.8Å; F56-F67 HydrophobicContact CZ-CZ 4.23Å; H60-F67 HydrophobicContact CB-CD2 4.26Å; H60-F67 HydrophobicContact CB-CE2 3.54Å; H60-F67 HydrophobicContact CB-CZ 4.14Å; H60-F67 AromaticContact CD2-CE2 3.84Å; H60-F67 AromaticContact CD2-CZ 3.48Å; H60-F67 VanDerWaalsContact CD2-CZ 3.48Å; H60-F67 WeakPolarHBondContact CD2-CZ 3.47Å; H60-F67 AromaticContact CG-CE2 3.58Å; H60-F67 AromaticContact CG-CZ 3.68Å; H60-F67 AromaticContact NE2-CZ 3.96Å; F67-V69 VanDerWaalsContact C-N 3.34Å; F67-V70 HydrophobicContact CB-CG2 3.63Å; F67-V70 HydrophobicContact CD2-CG2 4.1Å; F67-V70 HydrophobicContact CG-CG2 4.14Å; F67-C88 HydrophobicContact CD2-CB 4.28Å; F67-C88 PolarHBondContact N-O 2.92Å; F67-V89 CarbonylContact O-C 3.53Å; F67-V89 WeakPolarHBondContact O-CA 3.42Å; F67-C90 PolarHBondContact O-N 3.38Å
68D96Very high93.8Very high117 Ų11769.6 Ų69.663%0.62634%0.336SS*.EExtended strand (participates in β ladder)trans-70-33.4171.4-57.6-62.5000112.5C90 G93 L94D68-C90 VanDerWaalsContact CA-SG 3.59Å; D68-C90 PolarHBondContact OD1-SG 3.05Å; D68-G93 CarbonylContact O-C 3.58Å; D68-G93 WeakPolarHBondContact O-CA 3.35Å; D68-L94 PolarHBondContact O-N 3.34Å
69V95.8Very high93.7Very high79 Ų7966.5 Ų66.548%0.47933%0.325SS..EExtended strand (participates in β ladder)trans-137.8130-179.3-174.30000109.7F67 L94 M96F67-V69 VanDerWaalsContact C-N 3.34Å; V69-L94 CarbonylContact C-O 3.5Å; V69-L94 VanDerWaalsContact CA-O 3.29Å; V69-L94 WeakPolarHBondContact CA-O 3.32Å; V69-L94 HydrophobicContact CG1-CB 4.24Å; V69-L94 HydrophobicContact CG1-CD2 4.2Å; V69-L94 HydrophobicContact CG1-CG 4.37Å; V69-L94 HydrophobicContact CG2-CB 4.2Å; V69-M96 HydrophobicContact CG1-CE 3.67Å
70V96.5Very high93.7Very high7 Ų768.7 Ų68.74%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-125.6122.8173.6175.90000109.7F67 L72 V89 L94 L95 M96F67-V70 HydrophobicContact CB-CG2 3.63Å; F67-V70 HydrophobicContact CD2-CG2 4.1Å; F67-V70 HydrophobicContact CG-CG2 4.14Å; V70-L72 HydrophobicContact CG1-CD2 4.21Å; V70-L72 HydrophobicContact CG1-CG 4.29Å; V70-V89 HydrophobicContact CB-CG2 3.67Å; V70-V89 HydrophobicContact CG2-CG2 3.45Å; V70-V89 VanDerWaalsContact CG2-CG2 3.45Å; V70-L94 PolarHBondContact N-O 3.27Å; V70-L95 HydrophobicContact CB-CD1 3.99Å; V70-L95 HydrophobicContact CG1-CD1 3.97Å; V70-M96 PolarHBondContact O-N 2.81Å
71D95.6Very high93.7Very high13 Ų1366.9 Ų66.97%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-103.1113.5171.3-164.7-16.6000111.4M1 M96 R163M1-D71 CarbonylContact C-O 3.59Å; M1-D71 PolarHBondContact N-O 2.65Å; D71-M96 HydrophobicContact CB-CE 3.78Å; D71-R163 IonicContact OD1-CZ 2.68Å; D71-R163 IonicContact OD1-NH1 2.83Å; D71-R163 PolarHBondContact OD1-NH1 2.79Å; D71-R163 IonicContact OD1-NH2 3.21Å; D71-R163 PolarHBondContact OD1-NH2 3.39Å; D71-R163 IonicContact OD2-CZ 3.3Å; D71-R163 IonicContact OD2-NH2 3.87Å; D71-R163 PolarHBondContact OD2-NH2 3.48Å
72L95Very high93.9Very high2 Ų260.2 Ų60.21%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-99.1109.7170.1-66.5-173.7000110.5M57 V70 P74 F81 L82 A85 L95 M96 V97 T98 R163M57-L72 HydrophobicContact CE-CD2 4.16Å; M57-L72 HydrophobicContact SD-CD2 3.93Å; V70-L72 HydrophobicContact CG1-CD2 4.21Å; V70-L72 HydrophobicContact CG1-CG 4.29Å; L72-P74 VanDerWaalsContact C-CD 3.42Å; L72-P74 WeakPolarHBondContact O-CD 3.38Å; L72-F81 HydrophobicContact CD1-CB 3.86Å; L72-F81 HydrophobicContact CD2-CB 4.27Å; L72-L82 HydrophobicContact CD1-CD2 4.16Å; L72-A85 HydrophobicContact CD1-CB 3.57Å; L72-A85 HydrophobicContact CG-CB 4.22Å; L72-L95 HydrophobicContact CG-CD1 4.43Å; L72-M96 PolarHBondContact N-O 3.38Å; L72-V97 HydrophobicContact CB-CG1 4.36Å; L72-V97 HydrophobicContact CB-CG2 4.36Å; L72-V97 HydrophobicContact CD1-CG2 4.3Å; L72-V97 WeakPolarHBondContact O-CA 3.36Å; L72-T98 PolarHBondContact O-N 3.3Å; L72-R163 PolarHBondContact O-NH1 3.26Å
73D92.7Very high94Very high50 Ų5059.6 Ų59.627%0.26729%0.29SS..  trans-126.365.3176.4-168.237.8000112.5T98D73-T98 WeakPolarHBondContact OD1-CB 3.39Å; D73-T98 VanDerWaalsContact OD1-CG2 3.3Å; D73-T98 WeakPolarHBondContact OD1-CG2 3.32Å; D73-T98 PolarHBondContact OD1-OG1 2.68Å
74P90.9Very high94.3Very high12 Ų1253 Ų538%0.07826%0.255CS..  trans-82.2153.9-179.733.1-33.1000112.6L72 G76 A78 F81L72-P74 VanDerWaalsContact C-CD 3.42Å; L72-P74 WeakPolarHBondContact O-CD 3.38Å; P74-G76 PolarHBondContact O-N 2.89Å; P74-G76 VanDerWaalsContact O-N 3.13Å; P74-A78 HydrophobicContact CG-CB 3.69Å; P74-F81 HydrophobicContact CB-CD2 3.99Å; P74-F81 HydrophobicContact CB-CE2 3.5Å; P74-F81 HydrophobicContact CG-CD2 4.01Å; P74-F81 HydrophobicContact CG-CE2 4.04Å
75Y85.2Confident94.5Very high183 Ų18342.9 Ų42.972%0.71821%0.212SC*.SBendtrans-63.7114.8165.7-66.9-69000111.1K411Y75-K411 HydrophobicContact CD2-CG 4.25Å; Y75-K411 HydrophobicContact CG-CG 4.46Å
76G90.1Very high94.7Very high21 Ų2137.7 Ų37.722%0.21619%0.187CC..SBendtrans89.2-107.1176.800000111.8P74 T100 D101P74-G76 PolarHBondContact O-N 2.89Å; P74-G76 VanDerWaalsContact O-N 3.13Å; G76-T100 WeakPolarHBondContact CA-OG1 3.3Å; G76-T100 PolarHBondContact N-OG1 2.77Å; G76-T100 PolarHBondContact O-N 2.64Å; G76-D101 PolarHBondContact O-N 2.88Å
77S92.9Very high94.7Very high19 Ų1935.7 Ų35.713%0.13318%0.181CC..  trans-104132.9-171.8-179.60000111.6A79 Y117S77-A79 VanDerWaalsContact C-N 3.26Å; S77-A79 WeakPolarHBondContact OG-CB 2.91Å; S77-A79 PolarHBondContact OG-N 2.83Å; S77-A79 VanDerWaalsContact OG-N 3.12Å; S77-Y117 WeakPolarHBondContact CB-OH 3.39Å; S77-Y117 PolarHBondContact OG-OH 2.83Å
78A94.8Very high94.7Very high0 Ų034 Ų340%017%0.173CC..  trans-81.3-3.3169.900000113.9P74 K80 F81 L82 V97 C99P74-A78 HydrophobicContact CG-CB 3.69Å; A78-K80 PolarHBondContact O-N 3.34Å; A78-F81 PolarHBondContact O-N 3.12Å; A78-L82 HydrophobicContact CB-CD2 3.63Å; A78-L82 WeakPolarHBondContact O-CD2 3.41Å; A78-L82 VanDerWaalsContact O-CG 3.28Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 3.16Å; A78-V97 HydrophobicContact CB-CG1 3.49Å; A78-V97 VanDerWaalsContact CB-CG1 3.49Å; A78-C99 VanDerWaalsContact CB-SG 3.59Å
79A95.4Very high94.8Very high10 Ų1028.4 Ų28.48%0.08314%0.143CC..THydrogen-bonded Turntrans-53.6-31.7-172.500000114.8S77 F81 K116 Y117 R142S77-A79 VanDerWaalsContact C-N 3.26Å; S77-A79 WeakPolarHBondContact OG-CB 2.91Å; S77-A79 PolarHBondContact OG-N 2.83Å; S77-A79 VanDerWaalsContact OG-N 3.12Å; A79-F81 VanDerWaalsContact C-N 3.31Å; A79-F81 PolarHBondContact O-N 2.91Å; A79-K116 HydrophobicContact CB-CB 3.85Å; A79-K116 VanDerWaalsContact CB-O 3.29Å; A79-K116 WeakPolarHBondContact CB-O 3.39Å; A79-Y117 HydrophobicContact CB-CD1 4.27Å; A79-Y117 HydrophobicContact CB-CE1 3.98Å; A79-R142 PolarHBondContact O-NH1 3.22Å; A79-R142 PolarHBondContact O-NH2 3.44Å
80K94.5Very high94.8Very high138 Ų13825.7 Ų25.760%0.613%0.128SC*.THydrogen-bonded Turntrans-77-18178.460.7174.4176.5136.20114.2A78A78-K80 PolarHBondContact O-N 3.34Å
81F96.1Very high94.8Very high6 Ų629 Ų293%0.02615%0.145CC..THydrogen-bonded Turntrans-100.3-21.5-173.9-57.2-65.7000113.2F2 A53 T54 M57 L72 P74 A78 A79 D83 A84 A85F2-F81 HydrophobicContact CE2-CE1 4Å; F2-F81 HydrophobicContact CE2-CE2 4.49Å; F2-F81 AromaticContact CE2-CZ 3.93Å; F2-F81 HydrophobicContact CE2-CZ 3.93Å; F2-F81 HydrophobicContact CZ-CE1 4.39Å; F2-F81 HydrophobicContact CZ-CZ 4.36Å; A53-F81 HydrophobicContact CB-CD1 4.34Å; A53-F81 HydrophobicContact CB-CE1 4.13Å; T54-F81 WeakPolarHBondContact OG1-CD1 3.34Å; M57-F81 HydrophobicContact CE-CB 3.95Å; M57-F81 HydrophobicContact CE-CD1 4.2Å; L72-F81 HydrophobicContact CD1-CB 3.86Å; L72-F81 HydrophobicContact CD2-CB 4.27Å; P74-F81 HydrophobicContact CB-CD2 3.99Å; P74-F81 HydrophobicContact CB-CE2 3.5Å; P74-F81 HydrophobicContact CG-CD2 4.01Å; P74-F81 HydrophobicContact CG-CE2 4.04Å; A78-F81 PolarHBondContact O-N 3.12Å; A79-F81 VanDerWaalsContact C-N 3.31Å; A79-F81 PolarHBondContact O-N 2.91Å; F81-D83 VanDerWaalsContact C-N 3.27Å; F81-D83 PolarHBondContact O-N 2.85Å; F81-A84 PolarHBondContact O-N 2.92Å; F81-A85 WeakPolarHBondContact O-CB 3.39Å; F81-A85 PolarHBondContact O-N 3.45Å
82L96.9Very high94.8Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-63.2-31-168.2-37.9169.6000113.2L72 A78 A85 V86 V97 L135 I139 R142L72-L82 HydrophobicContact CD1-CD2 4.16Å; A78-L82 HydrophobicContact CB-CD2 3.63Å; A78-L82 WeakPolarHBondContact O-CD2 3.41Å; A78-L82 VanDerWaalsContact O-CG 3.28Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 3.16Å; L82-A85 PolarHBondContact O-N 3.31Å; L82-V86 WeakPolarHBondContact O-CG1 3.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.3Å; L82-V86 PolarHBondContact O-N 2.85Å; L82-V86 VanDerWaalsContact O-N 3.08Å; L82-V97 HydrophobicContact CD2-CG1 3.92Å; L82-V97 HydrophobicContact CD2-CG2 4.41Å; L82-L135 HydrophobicContact CD1-CD1 4.37Å; L82-I139 HydrophobicContact CB-CG1 4.39Å; L82-I139 HydrophobicContact CD1-CG1 3.79Å; L82-I139 HydrophobicContact CD2-CD1 4.43Å; L82-I139 HydrophobicContact CD2-CG1 4.04Å; L82-I139 HydrophobicContact CG-CG1 4.29Å; L82-R142 VanDerWaalsContact CB-NH1 3.25Å
83D96.6Very high94.9Very high35 Ų3533.1 Ų33.119%0.18717%0.167CC..Hα-helixtrans-69.7-43.1-177.9-164.178.7000112.4Y58 F81 V86 Q87 Y146Y58-D83 PolarHBondContact OH-OD2 2.75Å; F81-D83 VanDerWaalsContact C-N 3.27Å; F81-D83 PolarHBondContact O-N 2.85Å; D83-V86 WeakPolarHBondContact O-CG2 3.36Å; D83-Q87 PolarHBondContact O-NE2 3.29Å; D83-Q87 PolarHBondContact OD2-NE2 3.35Å; D83-Y146 PolarHBondContact OD2-OH 2.95Å
84A97.1Very high95.1Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-68.7-37.4174.400000111.3T54 M57 Y58 F81 Q87 C88T54-A84 HydrophobicContact CG2-CB 3.89Å; M57-A84 HydrophobicContact CB-CB 3.75Å; M57-A84 HydrophobicContact CE-CB 3.88Å; M57-A84 HydrophobicContact SD-CB 4.5Å; Y58-A84 HydrophobicContact CD1-CB 4.31Å; Y58-A84 HydrophobicContact CD2-CB 3.88Å; Y58-A84 HydrophobicContact CE1-CB 4.19Å; Y58-A84 HydrophobicContact CE2-CB 3.74Å; Y58-A84 HydrophobicContact CG-CB 4.16Å; F81-A84 PolarHBondContact O-N 2.92Å; A84-Q87 PolarHBondContact O-N 3.49Å; A84-Q87 VanDerWaalsContact O-N 3.14Å; A84-C88 PolarHBondContact O-N 2.89Å
85A97.4Very high95.4Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-64.8-41.7-179.700000113.4M57 L72 F81 L82 Q87 C88 V89 L95M57-A85 HydrophobicContact SD-CB 3.81Å; L72-A85 HydrophobicContact CD1-CB 3.57Å; L72-A85 HydrophobicContact CG-CB 4.22Å; F81-A85 WeakPolarHBondContact O-CB 3.39Å; F81-A85 PolarHBondContact O-N 3.45Å; L82-A85 PolarHBondContact O-N 3.31Å; A85-Q87 PolarHBondContact O-N 3.21Å; A85-Q87 VanDerWaalsContact O-N 3.15Å; A85-C88 PolarHBondContact O-N 3.11Å; A85-V89 VanDerWaalsContact O-CG2 3.24Å; A85-V89 WeakPolarHBondContact O-CG2 3.43Å; A85-V89 PolarHBondContact O-N 2.88Å; A85-L95 HydrophobicContact CB-CD1 3.97Å
86V96.9Very high96Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-67.5-12.4176.4-62.80000113.1L82 D83 L95 I139 R142 A143 Y146 R148 I168L82-V86 WeakPolarHBondContact O-CG1 3.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.3Å; L82-V86 PolarHBondContact O-N 2.85Å; L82-V86 VanDerWaalsContact O-N 3.08Å; D83-V86 WeakPolarHBondContact O-CG2 3.36Å; V86-L95 HydrophobicContact CG1-CD2 4.23Å; V86-I139 HydrophobicContact CG1-CG2 3.67Å; V86-R142 HydrophobicContact CG2-CB 4.11Å; V86-A143 HydrophobicContact CB-CB 4.22Å; V86-A143 HydrophobicContact CG1-CB 4.14Å; V86-Y146 HydrophobicContact CG2-CD2 4.29Å; V86-Y146 HydrophobicContact CG2-CE2 4.36Å; V86-R148 PolarHBondContact O-NH1 3Å; V86-I168 HydrophobicContact CG1-CD1 4.41Å
87Q96.4Very high96.4Very high22 Ų2222.8 Ų22.810%0.10312%0.119CC..Hα-helixtrans-97.2-36177.4-73.2175.573.500113Y58 R61 R66 D83 A84 A85 Y146Y58-Q87 VanDerWaalsContact CE1-NE2 3.34Å; R61-Q87 HydrophobicContact CB-CB 4.35Å; R66-Q87 PolarHBondContact NE-O 2.99Å; D83-Q87 PolarHBondContact O-NE2 3.29Å; D83-Q87 PolarHBondContact OD2-NE2 3.35Å; A84-Q87 PolarHBondContact O-N 3.49Å; A84-Q87 VanDerWaalsContact O-N 3.14Å; A85-Q87 PolarHBondContact O-N 3.21Å; A85-Q87 VanDerWaalsContact O-N 3.15Å; Q87-Y146 VanDerWaalsContact CD-CZ 3.43Å; Q87-Y146 HydrophobicContact CG-CD1 4.44Å; Q87-Y146 HydrophobicContact CG-CD2 3.9Å; Q87-Y146 HydrophobicContact CG-CE1 4.36Å; Q87-Y146 HydrophobicContact CG-CE2 3.82Å; Q87-Y146 HydrophobicContact CG-CG 4.22Å; Q87-Y146 PolarHBondContact NE2-OH 3.21Å
88C96.9Very high96.5Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-82.9-11.3-177.875.10000114M57 H60 R66 F67 A84 A85M57-C88 HydrophobicContact CB-CB 4.07Å; M57-C88 VanDerWaalsContact O-CB 3.23Å; M57-C88 WeakPolarHBondContact O-CB 3.35Å; H60-C88 HydrophobicContact CB-CB 4.4Å; R66-C88 CarbonylContact C-O 3.41Å; R66-C88 WeakPolarHBondContact CA-O 3.46Å; R66-C88 VanDerWaalsContact CB-O 3.27Å; R66-C88 WeakPolarHBondContact CB-O 3.44Å; F67-C88 HydrophobicContact CD2-CB 4.28Å; F67-C88 PolarHBondContact N-O 2.92Å; A84-C88 PolarHBondContact O-N 2.89Å; A85-C88 PolarHBondContact O-N 3.11Å
89V97.4Very high96.5Very high0 Ų022.3 Ų22.30%012%0.115CC..EExtended strand (participates in β ladder)trans-81.1136.9172.5178.80000109.9F67 V70 A85 L95 R148 I168F67-V89 CarbonylContact O-C 3.53Å; F67-V89 WeakPolarHBondContact O-CA 3.42Å; V70-V89 HydrophobicContact CB-CG2 3.67Å; V70-V89 HydrophobicContact CG2-CG2 3.45Å; V70-V89 VanDerWaalsContact CG2-CG2 3.45Å; A85-V89 VanDerWaalsContact O-CG2 3.24Å; A85-V89 WeakPolarHBondContact O-CG2 3.43Å; A85-V89 PolarHBondContact O-N 2.88Å; V89-L95 HydrophobicContact CG2-CB 4.29Å; V89-L95 HydrophobicContact CG2-CD1 4.22Å; V89-R148 VanDerWaalsContact O-CZ 3.27Å; V89-R148 PolarHBondContact O-NH1 2.98Å; V89-R148 PolarHBondContact O-NH2 3.24Å; V89-I168 HydrophobicContact CB-CB 4.45Å; V89-I168 HydrophobicContact CB-CG1 4.04Å; V89-I168 HydrophobicContact CG1-CB 4.03Å; V89-I168 HydrophobicContact CG1-CG1 3.79Å; V89-I168 HydrophobicContact CG2-CG1 4.5Å
90C96.4Very high96.3Very high22 Ų2223.9 Ų23.915%0.14912%0.124CC..EExtended strand (participates in β ladder)trans-67.9174.3176.874.50000111.8R66 F67 D68 G93 R148R66-C90 HydrophobicContact CB-CB 3.93Å; F67-C90 PolarHBondContact O-N 3.38Å; D68-C90 VanDerWaalsContact CA-SG 3.59Å; D68-C90 PolarHBondContact OD1-SG 3.05Å; C90-G93 PolarHBondContact O-N 2.99Å; C90-R148 VanDerWaalsContact C-NH2 3.3Å; C90-R148 PolarHBondContact O-NH2 2.99Å
91D95.4Very high96Very high76 Ų7618.6 Ų18.641%0.40610%0.102SC..EExtended strand (participates in β ladder)trans-73.4137.9173.5-148.746000109.6G93 K169 T170D91-G93 PolarHBondContact O-N 2.92Å; D91-K169 VanDerWaalsContact OD1-C 3.27Å; D91-K169 WeakPolarHBondContact OD1-CA 3.47Å; D91-T170 VanDerWaalsContact OD1-CB 3.27Å; D91-T170 WeakPolarHBondContact OD1-CB 3.47Å; D91-T170 PolarHBondContact OD1-N 3.21Å; D91-T170 PolarHBondContact OD1-OG1 2.86Å
92D95.9Very high95.7Very high99 Ų9919 Ų1953%0.52911%0.105SC..EExtended strand (participates in β ladder)trans60.314.1-167.2-64.1-53.5000114.5I168 K169D92-I168 PolarHBondContact N-O 3.23Å; D92-K169 WeakPolarHBondContact OD1-CE 3.39Å; D92-K169 WeakPolarHBondContact OD1-CG 3.06Å
93G96.6Very high95.5Very high2 Ų221.3 Ų21.32%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-76.2152.9174.700000113.1D68 C90 D91 L167 I168D68-G93 CarbonylContact O-C 3.58Å; D68-G93 WeakPolarHBondContact O-CA 3.35Å; C90-G93 PolarHBondContact O-N 2.99Å; D91-G93 PolarHBondContact O-N 2.92Å; G93-L167 WeakPolarHBondContact O-CA 3.35Å; G93-I168 PolarHBondContact O-N 3.18Å
94L97.2Very high95.4Very high36 Ų3620.1 Ų20.119%0.18812%0.118CC..EExtended strand (participates in β ladder)trans-93118-177.9179.664.6000111.5D68 V69 V70 M96 L153 F165 L167D68-L94 PolarHBondContact O-N 3.34Å; V69-L94 CarbonylContact C-O 3.5Å; V69-L94 VanDerWaalsContact CA-O 3.29Å; V69-L94 WeakPolarHBondContact CA-O 3.32Å; V69-L94 HydrophobicContact CG1-CB 4.24Å; V69-L94 HydrophobicContact CG1-CD2 4.2Å; V69-L94 HydrophobicContact CG1-CG 4.37Å; V69-L94 HydrophobicContact CG2-CB 4.2Å; V70-L94 PolarHBondContact N-O 3.27Å; L94-M96 HydrophobicContact CD1-CG 4.38Å; L94-M96 HydrophobicContact CD2-CG 4.05Å; L94-M96 HydrophobicContact CD2-SD 3.99Å; L94-M96 HydrophobicContact CG-CG 3.89Å; L94-M96 HydrophobicContact CG-SD 4.48Å; L94-L153 HydrophobicContact CD1-CD1 3.9Å; L94-F165 HydrophobicContact CD1-CB 4.38Å; L94-L167 HydrophobicContact CD1-CD2 4.47Å
95L97.9Very high95.2Very high0 Ų020.1 Ų20.10%012%0.118CC..EExtended strand (participates in β ladder)trans-102.4119.2169.2-179.661.8000110.1V70 L72 A85 V86 V89 V97 I139 L166 I168V70-L95 HydrophobicContact CB-CD1 3.99Å; V70-L95 HydrophobicContact CG1-CD1 3.97Å; L72-L95 HydrophobicContact CG-CD1 4.43Å; A85-L95 HydrophobicContact CB-CD1 3.97Å; V86-L95 HydrophobicContact CG1-CD2 4.23Å; V89-L95 HydrophobicContact CG2-CB 4.29Å; V89-L95 HydrophobicContact CG2-CD1 4.22Å; L95-V97 HydrophobicContact CD1-CG2 4.09Å; L95-V97 HydrophobicContact CD2-CG2 4.15Å; L95-V97 HydrophobicContact CG-CG2 3.83Å; L95-I139 HydrophobicContact CD2-CG2 3.87Å; L95-L166 PolarHBondContact N-O 3.34Å; L95-L166 PolarHBondContact O-N 3.35Å; L95-I168 HydrophobicContact CB-CD1 3.98Å; L95-I168 HydrophobicContact CB-CG1 3.94Å; L95-I168 HydrophobicContact CD2-CD1 3.9Å; L95-I168 HydrophobicContact CD2-CG1 4.48Å
96M97.7Very high95Very high13 Ų1320.6 Ų20.66%0.06412%0.121CC..EExtended strand (participates in β ladder)trans-109.7129.6174.4-50.7-177.3-73.600109.3F10 V69 V70 D71 L72 L94 R163 V164 F165F10-M96 HydrophobicContact CZ-CE 4.01Å; V69-M96 HydrophobicContact CG1-CE 3.67Å; V70-M96 PolarHBondContact O-N 2.81Å; D71-M96 HydrophobicContact CB-CE 3.78Å; L72-M96 PolarHBondContact N-O 3.38Å; L94-M96 HydrophobicContact CD1-CG 4.38Å; L94-M96 HydrophobicContact CD2-CG 4.05Å; L94-M96 HydrophobicContact CD2-SD 3.99Å; L94-M96 HydrophobicContact CG-CG 3.89Å; L94-M96 HydrophobicContact CG-SD 4.48Å; M96-R163 VanDerWaalsContact CB-NH2 3.28Å; M96-V164 WeakPolarHBondContact CA-O 3.03Å; M96-F165 HydrophobicContact CB-CD1 4.28Å; M96-F165 HydrophobicContact CG-CD1 3.62Å; M96-F165 HydrophobicContact CG-CE1 4.04Å; M96-F165 HydrophobicContact SD-CD1 3.64Å; M96-F165 HydrophobicContact SD-CE1 3.57Å; M96-F165 VanDerWaalsContact SD-CE1 3.57Å
97V97.1Very high94.8Very high0 Ų020.9 Ų20.90%012%0.124CC..EExtended strand (participates in β ladder)trans-132.8123.8-177.4-173.90000110.6L72 A78 L82 L95 L135 I139 R163 V164L72-V97 HydrophobicContact CB-CG1 4.36Å; L72-V97 HydrophobicContact CB-CG2 4.36Å; L72-V97 HydrophobicContact CD1-CG2 4.3Å; L72-V97 WeakPolarHBondContact O-CA 3.36Å; A78-V97 HydrophobicContact CB-CG1 3.49Å; A78-V97 VanDerWaalsContact CB-CG1 3.49Å; L82-V97 HydrophobicContact CD2-CG1 3.92Å; L82-V97 HydrophobicContact CD2-CG2 4.41Å; L95-V97 HydrophobicContact CD1-CG2 4.09Å; L95-V97 HydrophobicContact CD2-CG2 4.15Å; L95-V97 HydrophobicContact CG-CG2 3.83Å; V97-L135 HydrophobicContact CG1-CD1 4.48Å; V97-L135 HydrophobicContact CG1-CD2 4.47Å; V97-I139 HydrophobicContact CB-CD1 4.28Å; V97-I139 HydrophobicContact CG2-CD1 3.89Å; V97-R163 WeakPolarHBondContact O-CA 3.28Å; V97-V164 HydrophobicContact CB-CG2 3.82Å; V97-V164 HydrophobicContact CG2-CG2 4.42Å; V97-V164 PolarHBondContact N-O 3.22Å; V97-V164 PolarHBondContact O-N 3.18Å
98T95.5Very high94.6Very high10 Ų1024.4 Ų24.46%0.06114%0.144CC..EExtended strand (participates in β ladder)trans-97.5137.2166.2-49.10000109.9L72 D73 T100 Y161 V162 R163L72-T98 PolarHBondContact O-N 3.3Å; D73-T98 WeakPolarHBondContact OD1-CB 3.39Å; D73-T98 VanDerWaalsContact OD1-CG2 3.3Å; D73-T98 WeakPolarHBondContact OD1-CG2 3.32Å; D73-T98 PolarHBondContact OD1-OG1 2.68Å; T98-T100 HydrophobicContact CG2-CG2 4.38Å; T98-Y161 HydrophobicContact CG2-CD2 3.92Å; T98-Y161 HydrophobicContact CG2-CG 4.16Å; T98-V162 WeakPolarHBondContact CA-O 3.33Å; T98-R163 VanDerWaalsContact N-NH1 3.19Å; T98-R163 VanDerWaalsContact OG1-CD 3.23Å; T98-R163 WeakPolarHBondContact OG1-CD 3.33Å; T98-R163 PolarHBondContact OG1-NH1 2.91Å
99C94.2Very high94.5Very high0 Ų026.8 Ų26.80%016%0.159CC..EExtended strand (participates in β ladder)trans-127.1124.4163-73.90000109.6A78 L105 L135 Y161 V162A78-C99 VanDerWaalsContact CB-SG 3.59Å; C99-L105 HydrophobicContact CB-CD1 4.15Å; C99-L135 HydrophobicContact CB-CD2 4.29Å; C99-Y161 VanDerWaalsContact O-CA 3.31Å; C99-Y161 WeakPolarHBondContact O-CA 3.4Å; C99-Y161 WeakPolarHBondContact O-CB 3.28Å; C99-V162 HydrophobicContact CB-CG2 3.68Å; C99-V162 PolarHBondContact N-O 3.04Å; C99-V162 PolarHBondContact O-N 3.14Å
100T92Very high94.2Very high43 Ų4329 Ų2926%0.26417%0.172SC..  trans-94.5-5.9171.4660000112.5G76 T98 V102G76-T100 WeakPolarHBondContact CA-OG1 3.3Å; G76-T100 PolarHBondContact N-OG1 2.77Å; G76-T100 PolarHBondContact O-N 2.64Å; T98-T100 HydrophobicContact CG2-CG2 4.38Å; T100-V102 PolarHBondContact O-N 2.88Å
101D88.1Confident94.2Very high26 Ų2635.1 Ų35.114%0.13920%0.199CC..  trans-7646.9173.8-163.813.3000112.9G76 A103 V104 L105 K116G76-D101 PolarHBondContact O-N 2.88Å; D101-A103 VanDerWaalsContact C-N 3.26Å; D101-A103 PolarHBondContact O-N 3.41Å; D101-V104 VanDerWaalsContact CG-CG2 3.5Å; D101-V104 PolarHBondContact O-N 3.46Å; D101-V104 WeakPolarHBondContact OD1-CB 3.46Å; D101-V104 WeakPolarHBondContact OD1-CG2 3.48Å; D101-V104 WeakPolarHBondContact OD2-CG2 3.48Å; D101-L105 PolarHBondContact O-N 2.95Å; D101-K116 IonicContact OD2-NZ 3.48Å; D101-K116 PolarHBondContact OD2-NZ 3.08Å
102V91Very high94.2Very high14 Ų1433.4 Ų33.49%0.08519%0.192CC..Hα-helixtrans-66.2-30.5-177178.40000111T100 V104 L105 C106 F160 V162T100-V102 PolarHBondContact O-N 2.88Å; V102-V104 PolarHBondContact O-N 2.83Å; V102-L105 PolarHBondContact O-N 3.25Å; V102-C106 WeakPolarHBondContact CG1-SG 3.19Å; V102-C106 WeakPolarHBondContact O-CB 3.36Å; V102-C106 PolarHBondContact O-N 2.75Å; V102-C106 PolarHBondContact O-SG 2.99Å; V102-C106 VanDerWaalsContact O-SG 3.37Å; V102-F160 WeakPolarHBondContact CG2-O 3.43Å; V102-V162 HydrophobicContact CG2-CG1 4.27Å
103A92.3Very high94.3Very high50 Ų5028.7 Ų28.741%0.41317%0.166SC..Hα-helixtrans-58.5-44.6176.500000112.5D101 N108D101-A103 VanDerWaalsContact C-N 3.26Å; D101-A103 PolarHBondContact O-N 3.41Å; A103-N108 VanDerWaalsContact O-CB 3.27Å; A103-N108 WeakPolarHBondContact O-CB 3.2Å; A103-N108 PolarHBondContact O-N 3.06Å; A103-N108 VanDerWaalsContact O-N 3.1Å
104V94.1Very high94.3Very high9 Ų935.4 Ų35.46%0.05519%0.192CC..Hα-helixtrans-66.4-48.6176.3170.10000110.6D101 V102 C106 G107 T109 T112 C113 Y117 S121D101-V104 VanDerWaalsContact CG-CG2 3.5Å; D101-V104 PolarHBondContact O-N 3.46Å; D101-V104 WeakPolarHBondContact OD1-CB 3.46Å; D101-V104 WeakPolarHBondContact OD1-CG2 3.48Å; D101-V104 WeakPolarHBondContact OD2-CG2 3.48Å; V102-V104 PolarHBondContact O-N 2.83Å; V104-C106 VanDerWaalsContact C-N 3.3Å; V104-C106 PolarHBondContact O-N 3.11Å; V104-G107 PolarHBondContact O-N 3.17Å; V104-T109 WeakPolarHBondContact CG2-OG1 3.16Å; V104-T112 HydrophobicContact CG1-CG2 3.92Å; V104-T112 HydrophobicContact CG2-CG2 3.74Å; V104-C113 VanDerWaalsContact CG1-CA 3.42Å; V104-C113 HydrophobicContact CG1-CB 3.66Å; V104-Y117 HydrophobicContact CG1-CE2 4.25Å; V104-S121 PolarHBondContact O-OG 3.48Å
105L93.7Very high94.3Very high0 Ų037.8 Ų37.80%022%0.217CC..Hα-helixtrans-64.8-31.4-178.3-72169000113.1C99 D101 V102 G107 Y117 S121 A131 I134 V162C99-L105 HydrophobicContact CB-CD1 4.15Å; D101-L105 PolarHBondContact O-N 2.95Å; V102-L105 PolarHBondContact O-N 3.25Å; L105-G107 VanDerWaalsContact C-N 3.29Å; L105-G107 PolarHBondContact O-N 3.24Å; L105-Y117 HydrophobicContact CD2-CD1 4.27Å; L105-Y117 HydrophobicContact CD2-CD2 3.57Å; L105-Y117 HydrophobicContact CD2-CE1 4.18Å; L105-Y117 HydrophobicContact CD2-CE2 3.45Å; L105-Y117 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y117 HydrophobicContact CD2-CG 3.98Å; L105-Y117 HydrophobicContact CG-CD2 4.38Å; L105-Y117 HydrophobicContact CG-CE2 3.8Å; L105-S121 WeakPolarHBondContact O-CB 3.17Å; L105-A131 HydrophobicContact CB-CB 3.48Å; L105-A131 VanDerWaalsContact CB-CB 3.48Å; L105-A131 HydrophobicContact CD1-CB 4.43Å; L105-A131 HydrophobicContact CG-CB 4.48Å; L105-I134 HydrophobicContact CD2-CB 4.11Å; L105-I134 HydrophobicContact CD2-CG2 3.59Å; L105-V162 HydrophobicContact CD1-CG2 3.91Å
106C92.5Very high94.2Very high10 Ų1041.4 Ų41.47%0.06823%0.233CC..THydrogen-bonded Turntrans-83.64.6179-74.50000114.4V102 V104 C127V102-C106 WeakPolarHBondContact CG1-SG 3.19Å; V102-C106 WeakPolarHBondContact O-CB 3.36Å; V102-C106 PolarHBondContact O-N 2.75Å; V102-C106 PolarHBondContact O-SG 2.99Å; V102-C106 VanDerWaalsContact O-SG 3.37Å; V104-C106 VanDerWaalsContact C-N 3.3Å; V104-C106 PolarHBondContact O-N 3.11Å; C106-C127 HydrophobicContact CB-CB 3.67Å; C106-C127 WeakPolarHBondContact O-CB 3.38Å; C106-C127 VanDerWaalsContact SG-C 3.59Å; C106-C127 VanDerWaalsContact SG-SG 3.68Å
107G92Very high94.1Very high6 Ų641.2 Ų41.26%0.06223%0.231CC..THydrogen-bonded Turntrans92.515.6172.300000116.3V104 L105 T109 S121V104-G107 PolarHBondContact O-N 3.17Å; L105-G107 VanDerWaalsContact C-N 3.29Å; L105-G107 PolarHBondContact O-N 3.24Å; G107-T109 VanDerWaalsContact C-N 3.34Å; G107-S121 VanDerWaalsContact CA-OG 3.28Å; G107-S121 WeakPolarHBondContact CA-OG 3.35Å
108N92.9Very high94Very high96 Ų9643.2 Ų43.251%0.51325%0.252SS..SBendtrans-70.3-33.7173-68.8-12.6000112A103A103-N108 VanDerWaalsContact O-CB 3.27Å; A103-N108 WeakPolarHBondContact O-CB 3.2Å; A103-N108 PolarHBondContact O-N 3.06Å; A103-N108 VanDerWaalsContact O-N 3.1Å
109T93.7Very high94Very high51 Ų5142.8 Ų42.831%0.31325%0.25SC..SBendtrans-135.87817746.90000110V104 G107 E111 T112 C113V104-T109 WeakPolarHBondContact CG2-OG1 3.16Å; G107-T109 VanDerWaalsContact C-N 3.34Å; T109-E111 PolarHBondContact O-N 3.45Å; T109-T112 WeakPolarHBondContact O-CB 3.47Å; T109-T112 PolarHBondContact O-N 3.05Å; T109-C113 PolarHBondContact O-N 2.84Å; T109-C113 VanDerWaalsContact O-N 3.07Å
110P93Very high94.1Very high45 Ų4546.3 Ų46.329%0.29227%0.267SS..Hα-helixtrans-58-33.6-175.8-25.935.6000114.1T112 C113 Y114 M120P110-T112 PolarHBondContact O-N 3.17Å; P110-C113 WeakPolarHBondContact O-CB 3.42Å; P110-C113 PolarHBondContact O-N 3.38Å; P110-Y114 PolarHBondContact O-N 3.06Å; P110-M120 HydrophobicContact CB-CE 3.75Å
111E95.3Very high94.2Very high151 Ų15144.6 Ų44.671%0.70626%0.256SS*.Hα-helixtrans-58.9-44.5174.167.4-172.8178.400112.1T109 C113 Y114 A115T109-E111 PolarHBondContact O-N 3.45Å; E111-C113 VanDerWaalsContact C-N 3.31Å; E111-C113 PolarHBondContact O-N 3.31Å; E111-Y114 WeakPolarHBondContact O-CB 3.43Å; E111-Y114 PolarHBondContact O-N 3.15Å; E111-A115 PolarHBondContact O-N 3.5Å
112T96.3Very high94.2Very high41 Ų4143.9 Ų43.925%0.25225%0.252SS..Hα-helixtrans-69.1-35.5178.4-580000110.4V104 T109 P110 A115 K116V104-T112 HydrophobicContact CG1-CG2 3.92Å; V104-T112 HydrophobicContact CG2-CG2 3.74Å; T109-T112 WeakPolarHBondContact O-CB 3.47Å; T109-T112 PolarHBondContact O-N 3.05Å; P110-T112 PolarHBondContact O-N 3.17Å; T112-A115 PolarHBondContact O-N 3.14Å; T112-K116 HydrophobicContact CG2-CD 3.98Å; T112-K116 VanDerWaalsContact CG2-CE 3.48Å; T112-K116 HydrophobicContact CG2-CG 4.38Å; T112-K116 WeakPolarHBondContact O-CB 3.33Å; T112-K116 WeakPolarHBondContact O-CG 3.22Å; T112-K116 PolarHBondContact O-N 3.41Å
113C96.7Very high94Very high0 Ų050.6 Ų50.60%028%0.281CS..Hα-helixtrans-64.8-43.6175.1-167.50000111V104 T109 P110 E111 K116 Y117 S119 S121V104-C113 VanDerWaalsContact CG1-CA 3.42Å; V104-C113 HydrophobicContact CG1-CB 3.66Å; T109-C113 PolarHBondContact O-N 2.84Å; T109-C113 VanDerWaalsContact O-N 3.07Å; P110-C113 WeakPolarHBondContact O-CB 3.42Å; P110-C113 PolarHBondContact O-N 3.38Å; E111-C113 VanDerWaalsContact C-N 3.31Å; E111-C113 PolarHBondContact O-N 3.31Å; C113-K116 PolarHBondContact O-N 3.04Å; C113-Y117 WeakPolarHBondContact O-CB 3.34Å; C113-Y117 PolarHBondContact O-N 3.46Å; C113-S119 CarbonylContact C-O 3.52Å; C113-S119 VanDerWaalsContact C-O 3.26Å; C113-S119 PolarHBondContact SG-O 3.03Å; C113-S119 VanDerWaalsContact SG-O 3.41Å; C113-S121 WeakPolarHBondContact CB-OG 3.46Å; C113-S121 VanDerWaalsContact SG-CB 3.54Å
114Y96.7Very high93.4Very high143 Ų14348.8 Ų48.856%0.56127%0.265SS*.Hα-helixtrans-61.2-48.9175.3-176.5-98.8000111.5P110 E111 K116 G118 S119 M120P110-Y114 PolarHBondContact O-N 3.06Å; E111-Y114 WeakPolarHBondContact O-CB 3.43Å; E111-Y114 PolarHBondContact O-N 3.15Å; Y114-K116 PolarHBondContact O-N 3.14Å; Y114-G118 VanDerWaalsContact O-CA 3.22Å; Y114-G118 WeakPolarHBondContact O-CA 3.42Å; Y114-G118 PolarHBondContact O-N 3.01Å; Y114-S119 WeakPolarHBondContact CA-O 3.49Å; Y114-S119 PolarHBondContact N-O 3.37Å; Y114-S119 VanDerWaalsContact N-O 3.16Å; Y114-M120 HydrophobicContact CD2-CG 4.15Å; Y114-M120 HydrophobicContact CD2-SD 3.89Å; Y114-M120 HydrophobicContact CG-SD 4Å
115A96.7Very high92.6Very high86 Ų8652 Ų5271%0.71128%0.278SS*.Hα-helixtrans-61.3-40.1179.500000113.2E111 T112E111-A115 PolarHBondContact O-N 3.5Å; T112-A115 PolarHBondContact O-N 3.14Å
116K96.1Very high92Very high75 Ų7552.3 Ų52.333%0.32628%0.281SS..Hα-helixtrans-82.3-44-177.6-69.8-178-174.1178.80113.3A79 D101 T112 C113 Y114 R142A79-K116 HydrophobicContact CB-CB 3.85Å; A79-K116 VanDerWaalsContact CB-O 3.29Å; A79-K116 WeakPolarHBondContact CB-O 3.39Å; D101-K116 IonicContact OD2-NZ 3.48Å; D101-K116 PolarHBondContact OD2-NZ 3.08Å; T112-K116 HydrophobicContact CG2-CD 3.98Å; T112-K116 VanDerWaalsContact CG2-CE 3.48Å; T112-K116 HydrophobicContact CG2-CG 4.38Å; T112-K116 WeakPolarHBondContact O-CB 3.33Å; T112-K116 WeakPolarHBondContact O-CG 3.22Å; T112-K116 PolarHBondContact O-N 3.41Å; C113-K116 PolarHBondContact O-N 3.04Å; Y114-K116 PolarHBondContact O-N 3.14Å; K116-R142 PolarHBondContact O-NH2 2.87Å
117Y96.6Very high91.8Very high9 Ų952.8 Ų52.84%0.03528%0.283CS..Hα-helixtrans-112.6-8.2-167.1-58.8-76.6000113.8S77 A79 V104 L105 C113 S119 I134 L135 S138S77-Y117 WeakPolarHBondContact CB-OH 3.39Å; S77-Y117 PolarHBondContact OG-OH 2.83Å; A79-Y117 HydrophobicContact CB-CD1 4.27Å; A79-Y117 HydrophobicContact CB-CE1 3.98Å; V104-Y117 HydrophobicContact CG1-CE2 4.25Å; L105-Y117 HydrophobicContact CD2-CD1 4.27Å; L105-Y117 HydrophobicContact CD2-CD2 3.57Å; L105-Y117 HydrophobicContact CD2-CE1 4.18Å; L105-Y117 HydrophobicContact CD2-CE2 3.45Å; L105-Y117 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y117 HydrophobicContact CD2-CG 3.98Å; L105-Y117 HydrophobicContact CG-CD2 4.38Å; L105-Y117 HydrophobicContact CG-CE2 3.8Å; C113-Y117 WeakPolarHBondContact O-CB 3.34Å; C113-Y117 PolarHBondContact O-N 3.46Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-I134 HydrophobicContact CG-CG2 4.2Å; Y117-L135 HydrophobicContact CD1-CD1 4.46Å; Y117-L135 HydrophobicContact CE1-CD1 4.07Å; Y117-S138 WeakPolarHBondContact CA-OG 3.29Å; Y117-S138 WeakPolarHBondContact O-CB 3.23Å; Y117-S138 PolarHBondContact O-OG 2.96Å
118G95.4Very high91.7Very high42 Ų4255.2 Ų55.243%0.43329%0.293SS..SBendtrans71.723.2-17600000113.2Y114 P238Y114-G118 VanDerWaalsContact O-CA 3.22Å; Y114-G118 WeakPolarHBondContact O-CA 3.42Å; Y114-G118 PolarHBondContact O-N 3.01Å; G118-P238 WeakPolarHBondContact O-CD 3.46Å
119S95.7Very high91.5Very high2 Ų250.7 Ų50.71%0.01427%0.269CS..SBendtrans-141.1139.8-177.7177.10000111.8C113 Y114 Y117 S121 G237 P238C113-S119 CarbonylContact C-O 3.52Å; C113-S119 VanDerWaalsContact C-O 3.26Å; C113-S119 PolarHBondContact SG-O 3.03Å; C113-S119 VanDerWaalsContact SG-O 3.41Å; Y114-S119 WeakPolarHBondContact CA-O 3.49Å; Y114-S119 PolarHBondContact N-O 3.37Å; Y114-S119 VanDerWaalsContact N-O 3.16Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; S119-S121 PolarHBondContact O-N 2.88Å; S119-G237 WeakPolarHBondContact CA-O 3.33Å; S119-G237 VanDerWaalsContact OG-CA 3.23Å; S119-G237 WeakPolarHBondContact OG-CA 3.17Å; S119-G237 PolarHBondContact OG-O 3.45Å; S119-P238 PolarHBondContact OG-O 2.85Å
120M95.4Very high91.3Very high74 Ų7448.3 Ų48.337%0.36525%0.254SS..BIsolated β-bridgetrans-75.9120169.6-67.9-59.2-65.700109.5P110 Y114 A236 G237P110-M120 HydrophobicContact CB-CE 3.75Å; Y114-M120 HydrophobicContact CD2-CG 4.15Å; Y114-M120 HydrophobicContact CD2-SD 3.89Å; Y114-M120 HydrophobicContact CG-SD 4Å; M120-A236 WeakPolarHBondContact O-CB 3.29Å; M120-G237 PolarHBondContact N-O 3.49Å; M120-G237 PolarHBondContact O-N 3.02Å
121S93.6Very high91.3Very high6 Ų646.1 Ų46.14%0.04224%0.24CC..  trans-82.7163.717251.40000112.1V104 L105 G107 C113 S119V104-S121 PolarHBondContact O-OG 3.48Å; L105-S121 WeakPolarHBondContact O-CB 3.17Å; G107-S121 VanDerWaalsContact CA-OG 3.28Å; G107-S121 WeakPolarHBondContact CA-OG 3.35Å; C113-S121 WeakPolarHBondContact CB-OG 3.46Å; C113-S121 VanDerWaalsContact SG-CB 3.54Å; S119-S121 PolarHBondContact O-N 2.88Å
122L87.7Confident91.3Very high11 Ų1139 Ų396%0.05821%0.207CC..  trans-132.2120.7-176.5-174.764000110.7S124 I130 I182 Q184 L234 A236L122-S124 PolarHBondContact O-N 3.5Å; L122-S124 VanDerWaalsContact O-N 3.08Å; L122-S124 PolarHBondContact O-OG 3.38Å; L122-I130 HydrophobicContact CB-CD1 4.14Å; L122-I130 HydrophobicContact CD2-CD1 4.29Å; L122-I182 HydrophobicContact CD2-CG2 4.41Å; L122-Q184 HydrophobicContact CD2-CB 3.79Å; L122-Q184 VanDerWaalsContact CD2-CD 3.44Å; L122-Q184 HydrophobicContact CD2-CG 4.18Å; L122-L234 HydrophobicContact CD1-CB 3.94Å; L122-L234 HydrophobicContact CD1-CD1 3.67Å; L122-L234 HydrophobicContact CD1-CG 4.39Å; L122-A236 HydrophobicContact CB-CB 3.83Å; L122-A236 HydrophobicContact CD2-CB 4.39Å
123K86.9Confident91.2Very high156 Ų15637 Ų3768%0.67820%0.195SC*.  trans-69.8106.9169.3-165.9173.4-173.8175.10108.6
124S80.1Confident91.2Very high12 Ų1237 Ų378%0.08420%0.195CC..SBendtrans-154.3169.6-176.162.20000109.2L122 C126 C127 I130L122-S124 PolarHBondContact O-N 3.5Å; L122-S124 VanDerWaalsContact O-N 3.08Å; L122-S124 PolarHBondContact O-OG 3.38Å; S124-C126 PolarHBondContact O-N 2.9Å; S124-C126 PolarHBondContact OG-SG 3.36Å; S124-C127 WeakPolarHBondContact O-CB 3.36Å; S124-C127 PolarHBondContact O-N 3.29Å; S124-C127 VanDerWaalsContact O-N 3.16Å; S124-C127 PolarHBondContact O-SG 2.93Å; S124-C127 PolarHBondContact OG-N 2.83Å; S124-I130 WeakPolarHBondContact OG-CD1 3.4Å
125K78Confident91.2Very high75 Ų7530.2 Ų30.233%0.32617%0.168SC..THydrogen-bonded Turntrans-69.4-21.4176.3-71.8161-162.4-94.20113.7C127 E189 M295 S297K125-C127 VanDerWaalsContact C-N 3.33Å; K125-E189 VanDerWaalsContact CD-OE2 3.28Å; K125-E189 WeakPolarHBondContact CD-OE2 3.5Å; K125-E189 WeakPolarHBondContact CE-OE2 3.46Å; K125-M295 HydrophobicContact CB-CB 4.03Å; K125-M295 HydrophobicContact CB-CG 4.31Å; K125-M295 HydrophobicContact CB-SD 3.68Å; K125-M295 HydrophobicContact CD-CB 3.7Å; K125-M295 HydrophobicContact CD-SD 4.15Å; K125-M295 HydrophobicContact CG-CB 4.37Å; K125-M295 HydrophobicContact CG-SD 3.98Å; K125-S297 WeakPolarHBondContact CD-OG 3.48Å; K125-S297 WeakPolarHBondContact CE-OG 3.5Å; K125-S297 PolarHBondContact NZ-OG 2.8Å
126C80.2Confident91.2Very high8 Ų826.1 Ų26.15%0.05413%0.134CC..THydrogen-bonded Turntrans-9414.7174.156.70000112.9S124 H128 E129 I130 F293S124-C126 PolarHBondContact O-N 2.9Å; S124-C126 PolarHBondContact OG-SG 3.36Å; C126-H128 PolarHBondContact O-N 3.35Å; C126-H128 VanDerWaalsContact O-N 3.13Å; C126-E129 PolarHBondContact O-N 2.86Å; C126-I130 PolarHBondContact O-N 3.11Å; C126-I130 VanDerWaalsContact SG-CD1 3.59Å; C126-F293 HydrophobicContact CB-CB 3.74Å; C126-F293 HydrophobicContact CB-CD1 3.35Å; C126-F293 HydrophobicContact CB-CD2 4.06Å; C126-F293 HydrophobicContact CB-CE1 3.7Å; C126-F293 HydrophobicContact CB-CE2 4.38Å; C126-F293 HydrophobicContact CB-CG 3.48Å; C126-F293 VanDerWaalsContact CB-CG 3.48Å; C126-F293 HydrophobicContact CB-CZ 4.19Å
127C88.1Confident91.1Very high19 Ų1922.6 Ų22.613%0.12812%0.119CC..Hα-helixtrans-54.8-35.7-173.460.70000113.5C106 S124 K125 I130 A131C106-C127 HydrophobicContact CB-CB 3.67Å; C106-C127 WeakPolarHBondContact O-CB 3.38Å; C106-C127 VanDerWaalsContact SG-C 3.59Å; C106-C127 VanDerWaalsContact SG-SG 3.68Å; S124-C127 WeakPolarHBondContact O-CB 3.36Å; S124-C127 PolarHBondContact O-N 3.29Å; S124-C127 VanDerWaalsContact O-N 3.16Å; S124-C127 PolarHBondContact O-SG 2.93Å; S124-C127 PolarHBondContact OG-N 2.83Å; K125-C127 VanDerWaalsContact C-N 3.33Å; C127-I130 CarbonylContact O-C 3.55Å; C127-I130 PolarHBondContact O-N 3.38Å; C127-A131 VanDerWaalsContact O-CB 3.27Å; C127-A131 WeakPolarHBondContact O-CB 3.45Å; C127-A131 PolarHBondContact O-N 3.45Å
128H89.6Confident91.1Very high57 Ų5722.4 Ų22.426%0.26412%0.119SC..Hα-helixtrans-65-38.4177.6-68-73.6000113.2C126 A131 I132 S157 A326C126-H128 PolarHBondContact O-N 3.35Å; C126-H128 VanDerWaalsContact O-N 3.13Å; H128-A131 WeakPolarHBondContact O-CB 3.35Å; H128-I132 WeakPolarHBondContact O-CG1 2.85Å; H128-I132 PolarHBondContact O-N 3.22Å; H128-S157 PolarHBondContact ND1-OG 2.74Å; H128-A326 HydrophobicContact CB-CB 3.87Å
129E88.9Confident91.2Very high1 Ų120.4 Ų20.41%0.00510%0.098CC..Hα-helixtrans-75.2-37.5174.1179.8163.3-176.100111.4C126 A131 I132 R133 Y288 F293 K332C126-E129 PolarHBondContact O-N 2.86Å; E129-A131 VanDerWaalsContact C-N 3.25Å; E129-A131 PolarHBondContact O-N 3.42Å; E129-I132 PolarHBondContact O-N 2.89Å; E129-R133 HydrophobicContact CG-CG 4.49Å; E129-R133 VanDerWaalsContact O-CG 3.3Å; E129-R133 WeakPolarHBondContact O-CG 3.49Å; E129-R133 PolarHBondContact O-N 2.86Å; E129-R133 IonicContact OE1-CZ 2.72Å; E129-R133 IonicContact OE1-NE 3.2Å; E129-R133 PolarHBondContact OE1-NE 2.87Å; E129-R133 IonicContact OE1-NH2 3.29Å; E129-R133 PolarHBondContact OE1-NH2 2.94Å; E129-Y288 HydrophobicContact CG-CE2 4.15Å; E129-Y288 WeakPolarHBondContact OE1-CE2 3.49Å; E129-F293 WeakPolarHBondContact OE2-CD2 3.36Å; E129-F293 WeakPolarHBondContact OE2-CE2 3.33Å; E129-K332 IonicContact OE1-NZ 2.77Å; E129-K332 PolarHBondContact OE1-NZ 2.93Å; E129-K332 WeakPolarHBondContact OE2-CE 3.27Å; E129-K332 IonicContact OE2-NZ 2.75Å; E129-K332 PolarHBondContact OE2-NZ 3.49Å
130I90.3Very high91.2Very high1 Ų120.4 Ų20.41%0.00510%0.098CC..Hα-helixtrans-58.6-42.1171.9-66.9177.9000110L122 S124 C126 C127 I132 R133 I134 I182 I239L122-I130 HydrophobicContact CB-CD1 4.14Å; L122-I130 HydrophobicContact CD2-CD1 4.29Å; S124-I130 WeakPolarHBondContact OG-CD1 3.4Å; C126-I130 PolarHBondContact O-N 3.11Å; C126-I130 VanDerWaalsContact SG-CD1 3.59Å; C127-I130 CarbonylContact O-C 3.55Å; C127-I130 PolarHBondContact O-N 3.38Å; I130-I132 PolarHBondContact O-N 2.94Å; I130-R133 CarbonylContact O-C 3.26Å; I130-R133 PolarHBondContact O-N 3.33Å; I130-R133 VanDerWaalsContact O-N 3.14Å; I130-I134 HydrophobicContact CG2-CD1 3.66Å; I130-I134 HydrophobicContact CG2-CG1 4.12Å; I130-I134 WeakPolarHBondContact O-CB 3.46Å; I130-I134 VanDerWaalsContact O-CG1 3.28Å; I130-I134 WeakPolarHBondContact O-CG1 3.29Å; I130-I134 PolarHBondContact O-N 2.83Å; I130-I182 HydrophobicContact CD1-CD1 3.85Å; I130-I182 HydrophobicContact CG1-CD1 4.06Å; I130-I182 HydrophobicContact CG2-CD1 4.39Å; I130-I239 HydrophobicContact CG2-CG2 4.43Å
131A93.9Very high91.2Very high0 Ų018.9 Ų18.90%010%0.095CC..Hα-helixtrans-58.3-48177.700000112.2L105 C127 H128 E129 R133 I134 L135 V162L105-A131 HydrophobicContact CB-CB 3.48Å; L105-A131 VanDerWaalsContact CB-CB 3.48Å; L105-A131 HydrophobicContact CD1-CB 4.43Å; L105-A131 HydrophobicContact CG-CB 4.48Å; C127-A131 VanDerWaalsContact O-CB 3.27Å; C127-A131 WeakPolarHBondContact O-CB 3.45Å; C127-A131 PolarHBondContact O-N 3.45Å; H128-A131 WeakPolarHBondContact O-CB 3.35Å; E129-A131 VanDerWaalsContact C-N 3.25Å; E129-A131 PolarHBondContact O-N 3.42Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 3.33Å; A131-I134 PolarHBondContact O-N 2.78Å; A131-L135 PolarHBondContact O-N 3.49Å; A131-V162 HydrophobicContact CB-CG1 4.27Å
132I94.4Very high91.3Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-56.3-49.2173.3-68.1168000110.3H128 E129 I130 I134 L135 I136 V162 V164 I244H128-I132 WeakPolarHBondContact O-CG1 2.85Å; H128-I132 PolarHBondContact O-N 3.22Å; E129-I132 PolarHBondContact O-N 2.89Å; I130-I132 PolarHBondContact O-N 2.94Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 PolarHBondContact O-N 2.72Å; I132-L135 PolarHBondContact O-N 2.8Å; I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 HydrophobicContact CG2-CG1 4.45Å; I132-I136 WeakPolarHBondContact O-CG1 3.49Å; I132-I136 PolarHBondContact O-N 2.61Å; I132-V162 HydrophobicContact CG1-CB 4.23Å; I132-V162 HydrophobicContact CG1-CG1 3.91Å; I132-V164 HydrophobicContact CG2-CG1 4.22Å; I132-I244 HydrophobicContact CG2-CD1 4.23Å
133R94.2Very high91.7Very high0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-68.4-32-175.9-68175.1177.7-68.4-8.3113.1E129 I130 A131 S137 I239 W240 A242 I244 Y288E129-R133 HydrophobicContact CG-CG 4.49Å; E129-R133 VanDerWaalsContact O-CG 3.3Å; E129-R133 WeakPolarHBondContact O-CG 3.49Å; E129-R133 PolarHBondContact O-N 2.86Å; E129-R133 IonicContact OE1-CZ 2.72Å; E129-R133 IonicContact OE1-NE 3.2Å; E129-R133 PolarHBondContact OE1-NE 2.87Å; E129-R133 IonicContact OE1-NH2 3.29Å; E129-R133 PolarHBondContact OE1-NH2 2.94Å; I130-R133 CarbonylContact O-C 3.26Å; I130-R133 PolarHBondContact O-N 3.33Å; I130-R133 VanDerWaalsContact O-N 3.14Å; A131-R133 VanDerWaalsContact C-N 3.33Å; A131-R133 PolarHBondContact O-N 3.33Å; R133-S137 WeakPolarHBondContact O-CB 3.48Å; R133-S137 PolarHBondContact O-N 3.01Å; R133-I239 HydrophobicContact CB-CB 4.02Å; R133-I239 HydrophobicContact CB-CD1 4.46Å; R133-W240 HydrophobicContact CB-CB 4.25Å; R133-W240 WeakPolarHBondContact CB-O 3.26Å; R133-W240 VanDerWaalsContact CD-O 3.23Å; R133-W240 WeakPolarHBondContact CD-O 3.3Å; R133-W240 VanDerWaalsContact CG-O 3.26Å; R133-W240 WeakPolarHBondContact CG-O 3.44Å; R133-W240 PolarHBondContact NH1-O 2.82Å; R133-W240 WeakPolarHBondContact O-CB 3.23Å; R133-W240 PolarHBondContact O-N 3.36Å; R133-A242 PolarHBondContact NH1-O 3.36Å; R133-I244 HydrophobicContact CG-CG2 4.25Å; R133-Y288 VanDerWaalsContact NE-CD2 3.29Å
134I95.7Very high92Very high0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-65.4-46.9171.4-72.8173.6000109.8L105 Y117 I130 A131 I132 I136 S137 S138 I239L105-I134 HydrophobicContact CD2-CB 4.11Å; L105-I134 HydrophobicContact CD2-CG2 3.59Å; Y117-I134 HydrophobicContact CG-CG2 4.2Å; I130-I134 HydrophobicContact CG2-CD1 3.66Å; I130-I134 HydrophobicContact CG2-CG1 4.12Å; I130-I134 WeakPolarHBondContact O-CB 3.46Å; I130-I134 VanDerWaalsContact O-CG1 3.28Å; I130-I134 WeakPolarHBondContact O-CG1 3.29Å; I130-I134 PolarHBondContact O-N 2.83Å; A131-I134 PolarHBondContact O-N 2.78Å; I132-I134 VanDerWaalsContact C-N 3.34Å; I132-I134 PolarHBondContact O-N 2.72Å; I134-I136 PolarHBondContact O-N 2.73Å; I134-S137 WeakPolarHBondContact O-CB 3.44Å; I134-S137 PolarHBondContact O-N 3.25Å; I134-S138 WeakPolarHBondContact O-CB 3.46Å; I134-S138 PolarHBondContact O-N 3.32Å; I134-I239 HydrophobicContact CG1-CG2 3.74Å
135L96.7Very high92.6Very high0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-59.6-49.4179.618058.2000111.2L82 V97 C99 Y117 A131 I132 S137 S138 I139 V162 V164L82-L135 HydrophobicContact CD1-CD1 4.37Å; V97-L135 HydrophobicContact CG1-CD1 4.48Å; V97-L135 HydrophobicContact CG1-CD2 4.47Å; C99-L135 HydrophobicContact CB-CD2 4.29Å; Y117-L135 HydrophobicContact CD1-CD1 4.46Å; Y117-L135 HydrophobicContact CE1-CD1 4.07Å; A131-L135 PolarHBondContact O-N 3.49Å; I132-L135 PolarHBondContact O-N 2.8Å; L135-S137 PolarHBondContact O-N 2.84Å; L135-S138 WeakPolarHBondContact O-CB 3.3Å; L135-S138 PolarHBondContact O-N 2.76Å; L135-I139 HydrophobicContact CD1-CD1 4.06Å; L135-I139 HydrophobicContact CD1-CG1 4.37Å; L135-I139 HydrophobicContact CG-CD1 4.03Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.34Å; L135-V162 HydrophobicContact CD2-CG2 3.79Å; L135-V164 HydrophobicContact CD2-CG1 4.1Å; L135-V164 HydrophobicContact CD2-CG2 3.88Å; L135-V164 HydrophobicContact CG-CG2 4.24Å
136I96.7Very high93.4Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-59.9-46.4177.2-61.1170.1000110.8I132 I134 S138 I139 D140 V150 P152 S155 V164 L166 W240 I244I132-I136 HydrophobicContact CG2-CD1 3.8Å; I132-I136 HydrophobicContact CG2-CG1 4.45Å; I132-I136 WeakPolarHBondContact O-CG1 3.49Å; I132-I136 PolarHBondContact O-N 2.61Å; I134-I136 PolarHBondContact O-N 2.73Å; I136-S138 VanDerWaalsContact C-N 3.26Å; I136-S138 PolarHBondContact O-N 3.11Å; I136-I139 PolarHBondContact O-N 3.02Å; I136-D140 VanDerWaalsContact O-CB 3.3Å; I136-D140 WeakPolarHBondContact O-CB 3.32Å; I136-D140 PolarHBondContact O-N 3.18Å; I136-V150 HydrophobicContact CG2-CG2 4.03Å; I136-P152 HydrophobicContact CD1-CB 4.35Å; I136-P152 HydrophobicContact CD1-CG 4.18Å; I136-P152 HydrophobicContact CG2-CG 3.93Å; I136-S155 WeakPolarHBondContact CD1-OG 3.07Å; I136-V164 HydrophobicContact CD1-CG1 4.34Å; I136-V164 HydrophobicContact CG1-CB 4.48Å; I136-V164 HydrophobicContact CG1-CG1 3.94Å; I136-L166 HydrophobicContact CG1-CD2 4.3Å; I136-L166 HydrophobicContact CG2-CD2 4.46Å; I136-W240 HydrophobicContact CB-CB 3.96Å; I136-W240 HydrophobicContact CB-CG 4.15Å; I136-W240 HydrophobicContact CG2-CB 3.9Å; I136-W240 HydrophobicContact CG2-CD2 3.52Å; I136-W240 HydrophobicContact CG2-CE3 3.78Å; I136-W240 HydrophobicContact CG2-CG 3.59Å; I136-W240 HydrophobicContact CG2-CZ3 4.45Å; I136-I244 HydrophobicContact CD1-CB 4.12Å; I136-I244 HydrophobicContact CD1-CG2 3.75Å
137S95.6Very high94Very high2 Ų220.1 Ų20.11%0.01411%0.111CC..Hα-helixtrans-58.5-38.3177.4-1760000112.4R133 I134 L135 S141 P238R133-S137 WeakPolarHBondContact O-CB 3.48Å; R133-S137 PolarHBondContact O-N 3.01Å; I134-S137 WeakPolarHBondContact O-CB 3.44Å; I134-S137 PolarHBondContact O-N 3.25Å; L135-S137 PolarHBondContact O-N 2.84Å; S137-S141 WeakPolarHBondContact O-CB 3.31Å; S137-S141 PolarHBondContact O-N 3.25Å; S137-S141 PolarHBondContact O-OG 2.94Å; S137-P238 WeakPolarHBondContact CB-O 3.45Å; S137-P238 PolarHBondContact OG-O 3.11Å
138S96.3Very high94.4Very high4 Ų419.6 Ų19.63%0.02811%0.107CC..Hα-helixtrans-68.2-44.3178.6-161.20000112Y117 I134 L135 I136 S141 R142Y117-S138 WeakPolarHBondContact CA-OG 3.29Å; Y117-S138 WeakPolarHBondContact O-CB 3.23Å; Y117-S138 PolarHBondContact O-OG 2.96Å; I134-S138 WeakPolarHBondContact O-CB 3.46Å; I134-S138 PolarHBondContact O-N 3.32Å; L135-S138 WeakPolarHBondContact O-CB 3.3Å; L135-S138 PolarHBondContact O-N 2.76Å; I136-S138 VanDerWaalsContact C-N 3.26Å; I136-S138 PolarHBondContact O-N 3.11Å; S138-S141 PolarHBondContact O-N 3.06Å; S138-R142 WeakPolarHBondContact O-CD 3.42Å; S138-R142 WeakPolarHBondContact O-CG 3.35Å; S138-R142 PolarHBondContact O-N 3.48Å
139I97.1Very high94.6Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-64.9-47.9176.5-59.9165.6000109.7L82 V86 L95 V97 L135 I136 S141 R142 A143 V150 V164 L166L82-I139 HydrophobicContact CB-CG1 4.39Å; L82-I139 HydrophobicContact CD1-CG1 3.79Å; L82-I139 HydrophobicContact CD2-CD1 4.43Å; L82-I139 HydrophobicContact CD2-CG1 4.04Å; L82-I139 HydrophobicContact CG-CG1 4.29Å; V86-I139 HydrophobicContact CG1-CG2 3.67Å; L95-I139 HydrophobicContact CD2-CG2 3.87Å; V97-I139 HydrophobicContact CB-CD1 4.28Å; V97-I139 HydrophobicContact CG2-CD1 3.89Å; L135-I139 HydrophobicContact CD1-CD1 4.06Å; L135-I139 HydrophobicContact CD1-CG1 4.37Å; L135-I139 HydrophobicContact CG-CD1 4.03Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.34Å; I136-I139 PolarHBondContact O-N 3.02Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 3.28Å; I139-R142 PolarHBondContact O-N 3.46Å; I139-R142 VanDerWaalsContact O-N 3.15Å; I139-A143 PolarHBondContact O-N 3.19Å; I139-V150 HydrophobicContact CG2-CG1 3.85Å; I139-V164 HydrophobicContact CD1-CG2 3.96Å; I139-L166 HydrophobicContact CB-CD1 4.17Å; I139-L166 HydrophobicContact CD1-CD1 3.58Å; I139-L166 HydrophobicContact CG1-CD1 4.47Å; I139-L166 HydrophobicContact CG2-CD1 3.91Å
140D96Very high95Very high3 Ų318.1 Ų18.12%0.01610%0.1CC..Hα-helixtrans-57.6-45177.5-173.971.8000111.7I136 R142 A143 N144 V150 K179 W240I136-D140 VanDerWaalsContact O-CB 3.3Å; I136-D140 WeakPolarHBondContact O-CB 3.32Å; I136-D140 PolarHBondContact O-N 3.18Å; D140-R142 PolarHBondContact O-N 2.87Å; D140-A143 PolarHBondContact O-N 3.46Å; D140-N144 WeakPolarHBondContact O-CB 3.45Å; D140-N144 PolarHBondContact O-N 3.4Å; D140-N144 PolarHBondContact O-ND2 2.77Å; D140-N144 PolarHBondContact O-OD1 3.17Å; D140-N144 VanDerWaalsContact O-OD1 3.05Å; D140-N144 PolarHBondContact OD1-OD1 3.16Å; D140-N144 PolarHBondContact OD2-ND2 3.19Å; D140-V150 HydrophobicContact CB-CG2 3.71Å; D140-V150 PolarHBondContact OD1-N 3.24Å; D140-K179 WeakPolarHBondContact OD2-CE 3.39Å; D140-K179 IonicContact OD2-NZ 2.78Å; D140-K179 PolarHBondContact OD2-NZ 3.35Å; D140-W240 HydrophobicContact CB-CE3 4.34Å; D140-W240 HydrophobicContact CB-CZ3 4.11Å
141S94.7Very high95.2Very high42 Ų4221.1 Ų21.129%0.29411%0.114SC..Hα-helixtrans-57.1-36.9177.9-600000113.4S137 S138 I139 C145 K179S137-S141 WeakPolarHBondContact O-CB 3.31Å; S137-S141 PolarHBondContact O-N 3.25Å; S137-S141 PolarHBondContact O-OG 2.94Å; S138-S141 PolarHBondContact O-N 3.06Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 3.28Å; S141-C145 PolarHBondContact O-SG 3.08Å; S141-C145 VanDerWaalsContact O-SG 3.35Å; S141-K179 WeakPolarHBondContact OG-CE 3.3Å; S141-K179 PolarHBondContact OG-NZ 2.99Å
142R95.5Very high95.3Very high45 Ų4521.6 Ų21.617%0.1712%0.117CC..Hα-helixtrans-76.4-41.2178.1-64.3158.8-173.8-137.35.6111.4A79 L82 V86 K116 S138 I139 D140 N144 C145 Y146A79-R142 PolarHBondContact O-NH1 3.22Å; A79-R142 PolarHBondContact O-NH2 3.44Å; L82-R142 VanDerWaalsContact CB-NH1 3.25Å; V86-R142 HydrophobicContact CG2-CB 4.11Å; K116-R142 PolarHBondContact O-NH2 2.87Å; S138-R142 WeakPolarHBondContact O-CD 3.42Å; S138-R142 WeakPolarHBondContact O-CG 3.35Å; S138-R142 PolarHBondContact O-N 3.48Å; I139-R142 PolarHBondContact O-N 3.46Å; I139-R142 VanDerWaalsContact O-N 3.15Å; D140-R142 PolarHBondContact O-N 2.87Å; R142-N144 VanDerWaalsContact C-N 3.26Å; R142-N144 PolarHBondContact O-N 3.36Å; R142-C145 WeakPolarHBondContact O-CB 3.41Å; R142-C145 PolarHBondContact O-N 2.89Å; R142-Y146 WeakPolarHBondContact O-CD2 3.38Å; R142-Y146 WeakPolarHBondContact O-CE2 3.4Å
143A95.8Very high95.4Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-58.1-42.1173.300000111.4V86 I139 D140 C145 Y146 R148 V150V86-A143 HydrophobicContact CB-CB 4.22Å; V86-A143 HydrophobicContact CG1-CB 4.14Å; I139-A143 PolarHBondContact O-N 3.19Å; D140-A143 PolarHBondContact O-N 3.46Å; A143-C145 VanDerWaalsContact C-N 3.26Å; A143-C145 PolarHBondContact O-N 2.87Å; A143-Y146 PolarHBondContact O-N 3.31Å; A143-R148 CarbonylContact C-O 3.58Å; A143-R148 HydrophobicContact CB-CB 4.1Å; A143-R148 CarbonylContact O-C 3.44Å; A143-R148 WeakPolarHBondContact O-CB 3.49Å; A143-R148 PolarHBondContact O-N 2.96Å; A143-R148 VanDerWaalsContact O-O 3.13Å; A143-V150 HydrophobicContact CB-CG1 4.21Å
144N94.5Very high95.5Very high29 Ų2922.7 Ų22.716%0.15512%0.123CC..Hα-helixtrans-60.8-32.6-178.3-63.4-14.5000112.9D140 R142 Y146 G147 R148 A175 K179D140-N144 WeakPolarHBondContact O-CB 3.45Å; D140-N144 PolarHBondContact O-N 3.4Å; D140-N144 PolarHBondContact O-ND2 2.77Å; D140-N144 PolarHBondContact O-OD1 3.17Å; D140-N144 VanDerWaalsContact O-OD1 3.05Å; D140-N144 PolarHBondContact OD1-OD1 3.16Å; D140-N144 PolarHBondContact OD2-ND2 3.19Å; R142-N144 VanDerWaalsContact C-N 3.26Å; R142-N144 PolarHBondContact O-N 3.36Å; N144-Y146 PolarHBondContact O-N 3.41Å; N144-Y146 VanDerWaalsContact O-N 3.17Å; N144-G147 PolarHBondContact O-N 3.24Å; N144-G147 VanDerWaalsContact O-N 3.11Å; N144-R148 WeakPolarHBondContact CA-O 3.33Å; N144-R148 PolarHBondContact N-O 2.94Å; N144-R148 PolarHBondContact OD1-O 3.3Å; N144-A175 HydrophobicContact CB-CB 4Å; N144-A175 PolarHBondContact ND2-O 2.89Å; N144-A175 VanDerWaalsContact OD1-CA 3.28Å; N144-A175 WeakPolarHBondContact OD1-CA 3.23Å; N144-A175 WeakPolarHBondContact OD1-CB 2.99Å; N144-A175 PolarHBondContact OD1-O 2.8Å; N144-K179 PolarHBondContact ND2-NZ 3.45Å
145C93.4Very high95.5Very high100 Ų10022.7 Ų22.768%0.67612%0.123SC*.THydrogen-bonded Turntrans-58.9-24.7174.7-65.10000112.9S141 R142 A143S141-C145 PolarHBondContact O-SG 3.08Å; S141-C145 VanDerWaalsContact O-SG 3.35Å; R142-C145 WeakPolarHBondContact O-CB 3.41Å; R142-C145 PolarHBondContact O-N 2.89Å; A143-C145 VanDerWaalsContact C-N 3.26Å; A143-C145 PolarHBondContact O-N 2.87Å
146Y93.9Very high95.3Very high102 Ų10223.3 Ų23.340%0.413%0.126SC..THydrogen-bonded Turntrans-106.815.7-179-54.9-71.1000112.7D83 V86 Q87 R142 A143 N144 R148D83-Y146 PolarHBondContact OD2-OH 2.95Å; V86-Y146 HydrophobicContact CG2-CD2 4.29Å; V86-Y146 HydrophobicContact CG2-CE2 4.36Å; Q87-Y146 VanDerWaalsContact CD-CZ 3.43Å; Q87-Y146 HydrophobicContact CG-CD1 4.44Å; Q87-Y146 HydrophobicContact CG-CD2 3.9Å; Q87-Y146 HydrophobicContact CG-CE1 4.36Å; Q87-Y146 HydrophobicContact CG-CE2 3.82Å; Q87-Y146 HydrophobicContact CG-CG 4.22Å; Q87-Y146 PolarHBondContact NE2-OH 3.21Å; R142-Y146 WeakPolarHBondContact O-CD2 3.38Å; R142-Y146 WeakPolarHBondContact O-CE2 3.4Å; A143-Y146 PolarHBondContact O-N 3.31Å; N144-Y146 PolarHBondContact O-N 3.41Å; N144-Y146 VanDerWaalsContact O-N 3.17Å; Y146-R148 PolarHBondContact O-N 3.49Å
147G93.3Very high95.1Very high18 Ų1823.9 Ų23.919%0.18613%0.13CC..THydrogen-bonded Turntrans68.815.7-176.100000113.9N144 G171N144-G147 PolarHBondContact O-N 3.24Å; N144-G147 VanDerWaalsContact O-N 3.11Å; G147-G171 CarbonylContact O-C 3.55Å; G147-G171 PolarHBondContact O-N 3.03Å
148R95.2Very high94.6Very high8 Ų824.5 Ų24.53%0.0313%0.134CC..EExtended strand (participates in β ladder)trans-103.3165.8177.3-52.8-17778.8175.63.8109.8V86 V89 C90 A143 N144 Y146 I168 K169 A175V86-R148 PolarHBondContact O-NH1 3Å; V89-R148 VanDerWaalsContact O-CZ 3.27Å; V89-R148 PolarHBondContact O-NH1 2.98Å; V89-R148 PolarHBondContact O-NH2 3.24Å; C90-R148 VanDerWaalsContact C-NH2 3.3Å; C90-R148 PolarHBondContact O-NH2 2.99Å; A143-R148 CarbonylContact C-O 3.58Å; A143-R148 HydrophobicContact CB-CB 4.1Å; A143-R148 CarbonylContact O-C 3.44Å; A143-R148 WeakPolarHBondContact O-CB 3.49Å; A143-R148 PolarHBondContact O-N 2.96Å; A143-R148 VanDerWaalsContact O-O 3.13Å; N144-R148 WeakPolarHBondContact CA-O 3.33Å; N144-R148 PolarHBondContact N-O 2.94Å; N144-R148 PolarHBondContact OD1-O 3.3Å; Y146-R148 PolarHBondContact O-N 3.49Å; R148-I168 HydrophobicContact CB-CG2 4.39Å; R148-I168 VanDerWaalsContact NH2-CG2 3.29Å; R148-K169 CarbonylContact C-O 3.48Å; R148-K169 WeakPolarHBondContact CA-O 3.43Å; R148-K169 WeakPolarHBondContact CB-O 3.39Å; R148-A175 WeakPolarHBondContact O-CB 3.48Å
149F95.3Very high93.9Very high24 Ų2426.5 Ų26.511%0.10514%0.144CC..EExtended strand (participates in β ladder)trans-146.8165.2175.967.3-83.5000109.7K169 M174 A175F149-K169 HydrophobicContact CD1-CB 4.12Å; F149-K169 WeakPolarHBondContact CD1-O 3.03Å; F149-K169 HydrophobicContact CD2-CB 4.44Å; F149-K169 HydrophobicContact CE1-CB 3.51Å; F149-K169 HydrophobicContact CE2-CB 3.89Å; F149-K169 HydrophobicContact CE2-CD 4.08Å; F149-K169 HydrophobicContact CE2-CG 4.47Å; F149-K169 HydrophobicContact CZ-CB 3.4Å; F149-K169 HydrophobicContact CZ-CD 3.85Å; F149-K169 HydrophobicContact CZ-CG 4.21Å; F149-K169 PolarHBondContact N-O 2.85Å; F149-K169 PolarHBondContact O-N 2.79Å; F149-M174 HydrophobicContact CD1-CB 3.68Å; F149-M174 HydrophobicContact CD2-CB 4.18Å; F149-M174 HydrophobicContact CE1-CB 3.73Å; F149-M174 HydrophobicContact CE1-CG 4.2Å; F149-M174 HydrophobicContact CE2-CB 4.22Å; F149-M174 HydrophobicContact CG-CB 3.9Å; F149-M174 HydrophobicContact CZ-CB 4Å; F149-M174 HydrophobicContact CZ-CG 4.23Å; F149-A175 HydrophobicContact CB-CB 4.44Å
150V96.2Very high93.3Very high2 Ų230 Ų301%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-108.2146.6178.2-52.10000112.3I136 I139 D140 A143 L166 L167 I168 W240I136-V150 HydrophobicContact CG2-CG2 4.03Å; I139-V150 HydrophobicContact CG2-CG1 3.85Å; D140-V150 HydrophobicContact CB-CG2 3.71Å; D140-V150 PolarHBondContact OD1-N 3.24Å; A143-V150 HydrophobicContact CB-CG1 4.21Å; V150-L166 HydrophobicContact CB-CB 4.36Å; V150-L166 HydrophobicContact CB-CD1 4.24Å; V150-L166 HydrophobicContact CG1-CD1 4.31Å; V150-L166 HydrophobicContact CG2-CD1 4.36Å; V150-L167 CarbonylContact C-O 3.46Å; V150-L167 WeakPolarHBondContact CA-O 3.35Å; V150-I168 HydrophobicContact CG1-CD1 3.66Å; V150-W240 HydrophobicContact CG2-CH2 4.36Å; V150-W240 HydrophobicContact CG2-CZ3 4.23Å
151E95Very high93.1Very high65 Ų6533.9 Ų33.930%0.30418%0.175SC..EExtended strand (participates in β ladder)trans-121.7108.9172.2-170.4173.2106.700109.6L153 L166 L167 K169E151-L153 PolarHBondContact O-N 3.37Å; E151-L166 WeakPolarHBondContact O-CA 3.49Å; E151-L167 HydrophobicContact CB-CB 4.29Å; E151-L167 PolarHBondContact N-O 2.89Å; E151-L167 PolarHBondContact O-N 2.9Å; E151-K169 IonicContact OE1-NZ 2.9Å; E151-K169 PolarHBondContact OE1-NZ 3.32Å; E151-K169 IonicContact OE2-NZ 2.76Å; E151-K169 PolarHBondContact OE2-NZ 3.27Å
152P95.7Very high93Very high10 Ų1031.9 Ų31.97%0.06516%0.161CC..EExtended strand (participates in β ladder)trans-68.9122179.8-20.732.9000113.1I136 L166 W240I136-P152 HydrophobicContact CD1-CB 4.35Å; I136-P152 HydrophobicContact CD1-CG 4.18Å; I136-P152 HydrophobicContact CG2-CG 3.93Å; P152-L166 HydrophobicContact CB-CD2 3.76Å; P152-L166 HydrophobicContact CG-CD2 3.86Å; P152-W240 HydrophobicContact CG-CZ2 3.84Å
153L96.2Very high93.1Very high9 Ų931 Ų315%0.04716%0.157CC..EExtended strand (participates in β ladder)trans-90.3-46.4174.5-63.3-178000111.9L94 E151 F165 L167 H245 D246 F249L94-L153 HydrophobicContact CD1-CD1 3.9Å; E151-L153 PolarHBondContact O-N 3.37Å; L153-F165 HydrophobicContact CB-CB 4.4Å; L153-F165 PolarHBondContact N-O 3.33Å; L153-L167 HydrophobicContact CD1-CD1 4.29Å; L153-L167 HydrophobicContact CD1-CD2 3.97Å; L153-L167 HydrophobicContact CD1-CG 3.76Å; L153-L167 HydrophobicContact CD2-CD1 3.89Å; L153-L167 HydrophobicContact CD2-CG 4.05Å; L153-L167 HydrophobicContact CG-CD1 4.36Å; L153-L167 HydrophobicContact CG-CG 3.96Å; L153-H245 CarbonylContact O-C 3.6Å; L153-H245 WeakPolarHBondContact O-CA 3.39Å; L153-D246 HydrophobicContact CD2-CB 4.12Å; L153-D246 PolarHBondContact O-N 2.8Å; L153-F249 HydrophobicContact CB-CD1 3.74Å; L153-F249 HydrophobicContact CB-CD2 4.44Å; L153-F249 HydrophobicContact CB-CE1 3.97Å; L153-F249 HydrophobicContact CB-CG 3.99Å; L153-F249 HydrophobicContact CB-CZ 4.44Å; L153-F249 HydrophobicContact CD1-CD2 3.96Å; L153-F249 HydrophobicContact CD1-CE1 4.43Å; L153-F249 HydrophobicContact CD1-CE2 3.84Å; L153-F249 HydrophobicContact CD1-CG 4.34Å; L153-F249 HydrophobicContact CD1-CZ 4.08Å; L153-F249 HydrophobicContact CD2-CB 4.38Å; L153-F249 HydrophobicContact CD2-CD2 4.42Å; L153-F249 HydrophobicContact CD2-CG 4.33Å; L153-F249 HydrophobicContact CG-CG 4.47Å
154L96.1Very high93.2Very high14 Ų1431 Ų317%0.07316%0.157CC..EExtended strand (participates in β ladder)trans-152.6134.2-179.9175.460.7000108.5V156 F165 F249 V250 L277 V280L154-V156 HydrophobicContact CD1-CG1 3.83Å; L154-V156 HydrophobicContact CG-CG1 4.26Å; L154-F165 HydrophobicContact CB-CB 4.27Å; L154-F165 HydrophobicContact CB-CD2 3.87Å; L154-F165 HydrophobicContact CB-CG 4.36Å; L154-F165 HydrophobicContact CD2-CD2 4.12Å; L154-F165 HydrophobicContact CD2-CE2 4.1Å; L154-F165 HydrophobicContact CG-CD2 4Å; L154-F165 HydrophobicContact CG-CE2 4.33Å; L154-F165 PolarHBondContact N-O 3.15Å; L154-F165 WeakPolarHBondContact O-CD2 3.23Å; L154-F165 PolarHBondContact O-N 2.99Å; L154-F249 HydrophobicContact CB-CD1 4.41Å; L154-F249 HydrophobicContact CB-CE1 4.26Å; L154-V250 HydrophobicContact CD1-CG2 4.15Å; L154-L277 HydrophobicContact CD1-CD2 4.48Å; L154-L277 HydrophobicContact CD2-CD2 4.07Å; L154-V280 HydrophobicContact CD1-CG1 4Å; L154-V280 HydrophobicContact CD1-CG2 4.36Å
155S95.5Very high93.3Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-140.3116.5179-53.70000110.4I136 R163 I244 H245 H325I136-S155 WeakPolarHBondContact CD1-OG 3.07Å; S155-R163 CarbonylContact C-O 3.59Å; S155-R163 WeakPolarHBondContact CA-O 3.49Å; S155-I244 WeakPolarHBondContact CB-O 3.47Å; S155-I244 PolarHBondContact N-O 2.74Å; S155-I244 PolarHBondContact OG-O 2.82Å; S155-H245 PolarHBondContact N-ND1 2.82Å; S155-H245 PolarHBondContact O-CE1 3.31Å; S155-H325 PolarHBondContact O-CE1 2.81Å; S155-H325 VanDerWaalsContact O-CE1 3.28Å; S155-H325 PolarHBondContact O-NE2 2.89Å
156V94.2Very high93.5Very high13 Ų1327 Ų278%0.07913%0.127CC..EExtended strand (participates in β ladder)trans-128.2140.1-172.8-64.80000112L154 V158 V162 R163 V276 V280 H325L154-V156 HydrophobicContact CD1-CG1 3.83Å; L154-V156 HydrophobicContact CG-CG1 4.26Å; V156-V158 HydrophobicContact CB-CG2 3.84Å; V156-V158 HydrophobicContact CG2-CG2 3.7Å; V156-V162 WeakPolarHBondContact O-CA 3.3Å; V156-R163 HydrophobicContact CG2-CB 4.06Å; V156-R163 PolarHBondContact N-O 2.77Å; V156-R163 PolarHBondContact O-N 3.29Å; V156-V276 HydrophobicContact CG1-CG1 4.29Å; V156-V280 HydrophobicContact CG1-CG2 4.14Å; V156-H325 WeakPolarHBondContact CA-NE2 3.26Å
157S91.4Very high93.7Very high11 Ų1123.7 Ų23.78%0.07712%0.116CC..EExtended strand (participates in β ladder)trans-100.6118.7163.3179.70000107.2H128 H325H128-S157 PolarHBondContact ND1-OG 2.74Å; S157-H325 PolarHBondContact N-NE2 2.76Å
158V86.1Confident93.9Very high15 Ų1522.8 Ų22.89%0.09111%0.107CC..EExtended strand (participates in β ladder)trans-132.9118.2-173.9-176.50000108.3V156 F160 Y161V156-V158 HydrophobicContact CB-CG2 3.84Å; V156-V158 HydrophobicContact CG2-CG2 3.7Å; V158-F160 PolarHBondContact O-N 2.96Å; V158-Y161 HydrophobicContact CB-CE1 4.22Å; V158-Y161 HydrophobicContact CB-CE2 4.08Å; V158-Y161 HydrophobicContact CG1-CE1 4.3Å; V158-Y161 PolarHBondContact N-O 3.29Å; V158-Y161 VanDerWaalsContact O-CD1 3.3Å; V158-Y161 WeakPolarHBondContact O-CD1 3.35Å; V158-Y161 PolarHBondContact O-N 3.1Å; V158-Y161 VanDerWaalsContact O-O 3.14Å
159D81.5Confident93.9Very high47 Ų4724.4 Ų24.425%0.25111%0.114SC..THydrogen-bonded Turntrans51.7-92.3-177.8-45.6-30.7000113R272 W406D159-R272 IonicContact OD1-NH2 2.78Å; D159-R272 PolarHBondContact OD1-NH2 3.35Å; D159-R272 IonicContact OD2-CZ 2.68Å; D159-R272 IonicContact OD2-NH1 2.76Å; D159-R272 PolarHBondContact OD2-NH1 3.29Å; D159-R272 IonicContact OD2-NH2 2.67Å; D159-R272 PolarHBondContact OD2-NH2 2.8Å; D159-W406 HydrophobicContact CB-CZ3 3.96Å; D159-W406 WeakPolarHBondContact OD2-CH2 3.39Å; D159-W406 WeakPolarHBondContact OD2-CZ3 3.41Å
160F84Confident93.8Very high73 Ų7327 Ų2732%0.3213%0.132SC..THydrogen-bonded Turntrans-121.28.5-172.8-52-75.9000113.6V102 V158 N401 W406 P408V102-F160 WeakPolarHBondContact CG2-O 3.43Å; V158-F160 PolarHBondContact O-N 2.96Å; F160-N401 WeakPolarHBondContact CZ-ND2 3.2Å; F160-W406 HydrophobicContact CD2-CE3 4.48Å; F160-W406 HydrophobicContact CD2-CZ3 4.49Å; F160-W406 AromaticContact CE2-CE3 3.78Å; F160-W406 HydrophobicContact CE2-CE3 3.78Å; F160-W406 HydrophobicContact CE2-CZ3 4.13Å; F160-W406 WeakPolarHBondContact CE2-O 3.32Å; F160-W406 WeakPolarHBondContact CZ-O 3.38Å; F160-P408 HydrophobicContact CB-CG 4.21Å
161Y91.3Very high93.6Very high85 Ų8527.5 Ų27.533%0.33314%0.138SC..EExtended strand (participates in β ladder)trans-136.1157.2179.268.3-92.6000111.9T98 C99 V158 R163T98-Y161 HydrophobicContact CG2-CD2 3.92Å; T98-Y161 HydrophobicContact CG2-CG 4.16Å; C99-Y161 VanDerWaalsContact O-CA 3.31Å; C99-Y161 WeakPolarHBondContact O-CA 3.4Å; C99-Y161 WeakPolarHBondContact O-CB 3.28Å; V158-Y161 HydrophobicContact CB-CE1 4.22Å; V158-Y161 HydrophobicContact CB-CE2 4.08Å; V158-Y161 HydrophobicContact CG1-CE1 4.3Å; V158-Y161 PolarHBondContact N-O 3.29Å; V158-Y161 VanDerWaalsContact O-CD1 3.3Å; V158-Y161 WeakPolarHBondContact O-CD1 3.35Å; V158-Y161 PolarHBondContact O-N 3.1Å; V158-Y161 VanDerWaalsContact O-O 3.14Å; Y161-R163 HydrophobicContact CD2-CB 4.11Å; Y161-R163 HydrophobicContact CE2-CB 3.94Å
162V94Very high93.1Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-107.9136.9166.2-65.60000108.6T98 C99 V102 L105 A131 I132 L135 V156T98-V162 WeakPolarHBondContact CA-O 3.33Å; C99-V162 HydrophobicContact CB-CG2 3.68Å; C99-V162 PolarHBondContact N-O 3.04Å; C99-V162 PolarHBondContact O-N 3.14Å; V102-V162 HydrophobicContact CG2-CG1 4.27Å; L105-V162 HydrophobicContact CD1-CG2 3.91Å; A131-V162 HydrophobicContact CB-CG1 4.27Å; I132-V162 HydrophobicContact CG1-CB 4.23Å; I132-V162 HydrophobicContact CG1-CG1 3.91Å; L135-V162 HydrophobicContact CD2-CG2 3.79Å; V156-V162 WeakPolarHBondContact O-CA 3.3Å
163R96.1Very high92.4Very high26 Ų2631.6 Ų31.610%0.09817%0.172CC..EExtended strand (participates in β ladder)trans-127127.6177.5-17371.7172.9170.3-5.6109.2D71 L72 M96 V97 T98 S155 V156 Y161 F165D71-R163 IonicContact OD1-CZ 2.68Å; D71-R163 IonicContact OD1-NH1 2.83Å; D71-R163 PolarHBondContact OD1-NH1 2.79Å; D71-R163 IonicContact OD1-NH2 3.21Å; D71-R163 PolarHBondContact OD1-NH2 3.39Å; D71-R163 IonicContact OD2-CZ 3.3Å; D71-R163 IonicContact OD2-NH2 3.87Å; D71-R163 PolarHBondContact OD2-NH2 3.48Å; L72-R163 PolarHBondContact O-NH1 3.26Å; M96-R163 VanDerWaalsContact CB-NH2 3.28Å; V97-R163 WeakPolarHBondContact O-CA 3.28Å; T98-R163 VanDerWaalsContact N-NH1 3.19Å; T98-R163 VanDerWaalsContact OG1-CD 3.23Å; T98-R163 WeakPolarHBondContact OG1-CD 3.33Å; T98-R163 PolarHBondContact OG1-NH1 2.91Å; S155-R163 CarbonylContact C-O 3.59Å; S155-R163 WeakPolarHBondContact CA-O 3.49Å; V156-R163 HydrophobicContact CG2-CB 4.06Å; V156-R163 PolarHBondContact N-O 2.77Å; V156-R163 PolarHBondContact O-N 3.29Å; Y161-R163 HydrophobicContact CD2-CB 4.11Å; Y161-R163 HydrophobicContact CE2-CB 3.94Å; R163-F165 HydrophobicContact CG-CD2 4.33Å; R163-F165 HydrophobicContact CG-CE2 3.57Å; R163-F165 HydrophobicContact CG-CZ 3.83Å
164V97.4Very high91.7Very high0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-123.3138.1177.6-61.30000110M96 V97 I132 L135 I136 I139 L166M96-V164 WeakPolarHBondContact CA-O 3.03Å; V97-V164 HydrophobicContact CB-CG2 3.82Å; V97-V164 HydrophobicContact CG2-CG2 4.42Å; V97-V164 PolarHBondContact N-O 3.22Å; V97-V164 PolarHBondContact O-N 3.18Å; I132-V164 HydrophobicContact CG2-CG1 4.22Å; L135-V164 HydrophobicContact CD2-CG1 4.1Å; L135-V164 HydrophobicContact CD2-CG2 3.88Å; L135-V164 HydrophobicContact CG-CG2 4.24Å; I136-V164 HydrophobicContact CD1-CG1 4.34Å; I136-V164 HydrophobicContact CG1-CB 4.48Å; I136-V164 HydrophobicContact CG1-CG1 3.94Å; I139-V164 HydrophobicContact CD1-CG2 3.96Å; V164-L166 HydrophobicContact CB-CD2 4.32Å; V164-L166 HydrophobicContact CB-CG 4.31Å; V164-L166 HydrophobicContact CG2-CD1 4.14Å; V164-L166 HydrophobicContact CG2-CG 4.23Å
165F98Very high90.6Very high45 Ų4534.3 Ų34.320%0.19719%0.186CC..EExtended strand (participates in β ladder)trans-117113.2175.9-59.9-98.3000107.1L94 M96 L153 L154 R163L94-F165 HydrophobicContact CD1-CB 4.38Å; M96-F165 HydrophobicContact CB-CD1 4.28Å; M96-F165 HydrophobicContact CG-CD1 3.62Å; M96-F165 HydrophobicContact CG-CE1 4.04Å; M96-F165 HydrophobicContact SD-CD1 3.64Å; M96-F165 HydrophobicContact SD-CE1 3.57Å; M96-F165 VanDerWaalsContact SD-CE1 3.57Å; L153-F165 HydrophobicContact CB-CB 4.4Å; L153-F165 PolarHBondContact N-O 3.33Å; L154-F165 HydrophobicContact CB-CB 4.27Å; L154-F165 HydrophobicContact CB-CD2 3.87Å; L154-F165 HydrophobicContact CB-CG 4.36Å; L154-F165 HydrophobicContact CD2-CD2 4.12Å; L154-F165 HydrophobicContact CD2-CE2 4.1Å; L154-F165 HydrophobicContact CG-CD2 4Å; L154-F165 HydrophobicContact CG-CE2 4.33Å; L154-F165 PolarHBondContact N-O 3.15Å; L154-F165 WeakPolarHBondContact O-CD2 3.23Å; L154-F165 PolarHBondContact O-N 2.99Å; R163-F165 HydrophobicContact CG-CD2 4.33Å; R163-F165 HydrophobicContact CG-CE2 3.57Å; R163-F165 HydrophobicContact CG-CZ 3.83Å
166L98Very high89.6Confident0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans-127.7135.6-169.9-54.2178.2000110L95 I136 I139 V150 E151 P152 V164L95-L166 PolarHBondContact N-O 3.34Å; L95-L166 PolarHBondContact O-N 3.35Å; I136-L166 HydrophobicContact CG1-CD2 4.3Å; I136-L166 HydrophobicContact CG2-CD2 4.46Å; I139-L166 HydrophobicContact CB-CD1 4.17Å; I139-L166 HydrophobicContact CD1-CD1 3.58Å; I139-L166 HydrophobicContact CG1-CD1 4.47Å; I139-L166 HydrophobicContact CG2-CD1 3.91Å; V150-L166 HydrophobicContact CB-CB 4.36Å; V150-L166 HydrophobicContact CB-CD1 4.24Å; V150-L166 HydrophobicContact CG1-CD1 4.31Å; V150-L166 HydrophobicContact CG2-CD1 4.36Å; E151-L166 WeakPolarHBondContact O-CA 3.49Å; P152-L166 HydrophobicContact CB-CD2 3.76Å; P152-L166 HydrophobicContact CG-CD2 3.86Å; V164-L166 HydrophobicContact CB-CD2 4.32Å; V164-L166 HydrophobicContact CB-CG 4.31Å; V164-L166 HydrophobicContact CG2-CD1 4.14Å; V164-L166 HydrophobicContact CG2-CG 4.23Å
167L97.5Very high88.8Confident32 Ų3244 Ų4417%0.16823%0.225CC..EExtended strand (participates in β ladder)trans-83.3137.8162.3-65.2175.9000109.6G93 L94 V150 E151 L153G93-L167 WeakPolarHBondContact O-CA 3.35Å; L94-L167 HydrophobicContact CD1-CD2 4.47Å; V150-L167 CarbonylContact C-O 3.46Å; V150-L167 WeakPolarHBondContact CA-O 3.35Å; E151-L167 HydrophobicContact CB-CB 4.29Å; E151-L167 PolarHBondContact N-O 2.89Å; E151-L167 PolarHBondContact O-N 2.9Å; L153-L167 HydrophobicContact CD1-CD1 4.29Å; L153-L167 HydrophobicContact CD1-CD2 3.97Å; L153-L167 HydrophobicContact CD1-CG 3.76Å; L153-L167 HydrophobicContact CD2-CD1 3.89Å; L153-L167 HydrophobicContact CD2-CG 4.05Å; L153-L167 HydrophobicContact CG-CD1 4.36Å; L153-L167 HydrophobicContact CG-CG 3.96Å
168I96.8Very high88.3Confident0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-98.3121.3171.7-51.5-58000108.8V86 V89 D92 G93 L95 R148 V150V86-I168 HydrophobicContact CG1-CD1 4.41Å; V89-I168 HydrophobicContact CB-CB 4.45Å; V89-I168 HydrophobicContact CB-CG1 4.04Å; V89-I168 HydrophobicContact CG1-CB 4.03Å; V89-I168 HydrophobicContact CG1-CG1 3.79Å; V89-I168 HydrophobicContact CG2-CG1 4.5Å; D92-I168 PolarHBondContact N-O 3.23Å; G93-I168 PolarHBondContact O-N 3.18Å; L95-I168 HydrophobicContact CB-CD1 3.98Å; L95-I168 HydrophobicContact CB-CG1 3.94Å; L95-I168 HydrophobicContact CD2-CD1 3.9Å; L95-I168 HydrophobicContact CD2-CG1 4.48Å; R148-I168 HydrophobicContact CB-CG2 4.39Å; R148-I168 VanDerWaalsContact NH2-CG2 3.29Å; V150-I168 HydrophobicContact CG1-CD1 3.66Å
169K95.5Very high88.5Confident41 Ų4145.9 Ų45.918%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-125.6155.1-178.6-64.5-174.2-178.7173.40111.4D91 D92 R148 F149 E151D91-K169 VanDerWaalsContact OD1-C 3.27Å; D91-K169 WeakPolarHBondContact OD1-CA 3.47Å; D92-K169 WeakPolarHBondContact OD1-CE 3.39Å; D92-K169 WeakPolarHBondContact OD1-CG 3.06Å; R148-K169 CarbonylContact C-O 3.48Å; R148-K169 WeakPolarHBondContact CA-O 3.43Å; R148-K169 WeakPolarHBondContact CB-O 3.39Å; F149-K169 HydrophobicContact CD1-CB 4.12Å; F149-K169 WeakPolarHBondContact CD1-O 3.03Å; F149-K169 HydrophobicContact CD2-CB 4.44Å; F149-K169 HydrophobicContact CE1-CB 3.51Å; F149-K169 HydrophobicContact CE2-CB 3.89Å; F149-K169 HydrophobicContact CE2-CD 4.08Å; F149-K169 HydrophobicContact CE2-CG 4.47Å; F149-K169 HydrophobicContact CZ-CB 3.4Å; F149-K169 HydrophobicContact CZ-CD 3.85Å; F149-K169 HydrophobicContact CZ-CG 4.21Å; F149-K169 PolarHBondContact N-O 2.85Å; F149-K169 PolarHBondContact O-N 2.79Å; E151-K169 IonicContact OE1-NZ 2.9Å; E151-K169 PolarHBondContact OE1-NZ 3.32Å; E151-K169 IonicContact OE2-NZ 2.76Å; E151-K169 PolarHBondContact OE2-NZ 3.27Å
170T93.8Very high88.9Confident79 Ų7943.9 Ų43.949%0.48523%0.225SC..EExtended strand (participates in β ladder)trans-100.4125.2178.3-57.50000109.7D91D91-T170 VanDerWaalsContact OD1-CB 3.27Å; D91-T170 WeakPolarHBondContact OD1-CB 3.47Å; D91-T170 PolarHBondContact OD1-N 3.21Å; D91-T170 PolarHBondContact OD1-OG1 2.86Å
171G91.5Very high89.3Confident12 Ų1242.2 Ų42.212%0.12422%0.218CC..  trans176.286.9-174.600000112.7G147 S173 M174 A175G147-G171 CarbonylContact O-C 3.55Å; G147-G171 PolarHBondContact O-N 3.03Å; G171-S173 PolarHBondContact O-N 3.49Å; G171-M174 PolarHBondContact O-N 3.19Å; G171-A175 PolarHBondContact O-N 3.32Å; G171-A175 VanDerWaalsContact O-N 3.15Å
172P84.3Confident89.1Confident81 Ų8138.2 Ų38.253%0.52620%0.203SC..THydrogen-bonded Turntrans-59.4-23.9-176.8-26.534.8000114.7K176P172-K176 WeakPolarHBondContact O-CE 3.41Å
173S81.3Confident88.9Confident81 Ų8139.5 Ų39.557%0.56621%0.208SC*.THydrogen-bonded Turntrans-75-27.7175.6590000113.1G171G171-S173 PolarHBondContact O-N 3.49Å
174M81.5Confident88.4Confident70 Ų7038.5 Ų38.535%0.34520%0.204SC..THydrogen-bonded Turntrans-89.5-28.4-179.1-66.8-60.1-71.700112.4F149 G171 K176 R177F149-M174 HydrophobicContact CD1-CB 3.68Å; F149-M174 HydrophobicContact CD2-CB 4.18Å; F149-M174 HydrophobicContact CE1-CB 3.73Å; F149-M174 HydrophobicContact CE1-CG 4.2Å; F149-M174 HydrophobicContact CE2-CB 4.22Å; F149-M174 HydrophobicContact CG-CB 3.9Å; F149-M174 HydrophobicContact CZ-CB 4Å; F149-M174 HydrophobicContact CZ-CG 4.23Å; G171-M174 PolarHBondContact O-N 3.19Å; M174-K176 PolarHBondContact O-N 3.32Å; M174-R177 PolarHBondContact O-N 2.89Å; M174-R177 PolarHBondContact SD-NE 3.26Å; M174-R177 VanDerWaalsContact SD-NE 3.4Å
175A72.1Confident87.8Confident9 Ų938.7 Ų38.77%0.07421%0.206CC..THydrogen-bonded Turntrans-58.18.6177.800000116.1N144 R148 F149 G171N144-A175 HydrophobicContact CB-CB 4Å; N144-A175 PolarHBondContact ND2-O 2.89Å; N144-A175 VanDerWaalsContact OD1-CA 3.28Å; N144-A175 WeakPolarHBondContact OD1-CA 3.23Å; N144-A175 WeakPolarHBondContact OD1-CB 2.99Å; N144-A175 PolarHBondContact OD1-O 2.8Å; R148-A175 WeakPolarHBondContact O-CB 3.48Å; F149-A175 HydrophobicContact CB-CB 4.44Å; G171-A175 PolarHBondContact O-N 3.32Å; G171-A175 VanDerWaalsContact O-N 3.15Å
176K74.3Confident87Confident129 Ų12938.7 Ų38.756%0.56122%0.218SC*.THydrogen-bonded Turntrans-120.82.8-174.1-58.8174.7-172.7176.60112.9P172 M174 F208P172-K176 WeakPolarHBondContact O-CE 3.41Å; M174-K176 PolarHBondContact O-N 3.32Å; K176-F208 HydrophobicContact CB-CD2 3.63Å; K176-F208 HydrophobicContact CB-CE2 3.94Å; K176-F208 HydrophobicContact CB-CG 4.03Å; K176-F208 HydrophobicContact CD-CD2 3.99Å; K176-F208 HydrophobicContact CG-CD2 4.43Å
177R78.4Confident86.1Confident87 Ų8739.4 Ų39.433%0.32822%0.224SC..  trans-96.4170.5-170-65.6-178.1-176.2-148.85.6112.5M174 K179 F208M174-R177 PolarHBondContact O-N 2.89Å; M174-R177 PolarHBondContact SD-NE 3.26Å; M174-R177 VanDerWaalsContact SD-NE 3.4Å; R177-K179 VanDerWaalsContact C-N 3.32Å; R177-K179 PolarHBondContact O-N 3.33Å; R177-K179 VanDerWaalsContact O-N 3.1Å; R177-F208 HydrophobicContact CG-CE1 4.12Å; R177-F208 HydrophobicContact CG-CE2 4.23Å; R177-F208 HydrophobicContact CG-CZ 3.49Å; R177-F208 VanDerWaalsContact CG-CZ 3.49Å
178S81.7Confident85.3Confident32 Ų3238 Ų3822%0.22422%0.216CC..SBendtrans68.911.2157.7-49.30000118.2W240 S241 A242S178-W240 CarbonylContact O-C 3.56Å; S178-W240 WeakPolarHBondContact O-CA 2.93Å; S178-S241 PolarHBondContact O-N 2.92Å; S178-S241 PolarHBondContact O-OG 2.95Å; S178-A242 WeakPolarHBondContact OG-CB 3.46Å
179K89.1Confident84.5Confident35 Ų3540.6 Ų40.615%0.15223%0.228CC..EExtended strand (participates in β ladder)trans-102.2134.8175.1-65.8179.5-170.9165.20112D140 S141 N144 R177 L196 I239D140-K179 WeakPolarHBondContact OD2-CE 3.39Å; D140-K179 IonicContact OD2-NZ 2.78Å; D140-K179 PolarHBondContact OD2-NZ 3.35Å; S141-K179 WeakPolarHBondContact OG-CE 3.3Å; S141-K179 PolarHBondContact OG-NZ 2.99Å; N144-K179 PolarHBondContact ND2-NZ 3.45Å; R177-K179 VanDerWaalsContact C-N 3.32Å; R177-K179 PolarHBondContact O-N 3.33Å; R177-K179 VanDerWaalsContact O-N 3.1Å; K179-L196 HydrophobicContact CB-CD1 3.64Å; K179-L196 HydrophobicContact CB-CG 4.38Å; K179-L196 PolarHBondContact O-N 3.33Å; K179-I239 WeakPolarHBondContact CA-O 3.44Å
180S90.3Very high83.9Confident5 Ų539 Ų394%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-142.1153.1179.5-58.50000112.6Q194 S195 I239 S241S180-Q194 CarbonylContact C-O 3.59Å; S180-Q194 WeakPolarHBondContact CA-O 3.39Å; S180-Q194 WeakPolarHBondContact CB-O 3.29Å; S180-S195 WeakPolarHBondContact OG-CA 3.47Å; S180-I239 PolarHBondContact N-O 2.9Å; S180-I239 VanDerWaalsContact O-CG1 3.31Å; S180-I239 WeakPolarHBondContact O-CG1 3.28Å; S180-I239 PolarHBondContact O-N 2.81Å; S180-S241 WeakPolarHBondContact OG-CB 3.27Å; S180-S241 PolarHBondContact OG-OG 2.98Å
181L91.7Very high83.4Confident37 Ų3735.7 Ų35.719%0.19420%0.201CC..EExtended strand (participates in β ladder)trans-91.1149.1166.8-60176.4000109.8Y183 L193 Q194 L196 A236L181-Y183 HydrophobicContact CB-CE2 4.01Å; L181-L193 CarbonylContact O-C 3.54Å; L181-L193 WeakPolarHBondContact O-CA 3.09Å; L181-Q194 PolarHBondContact N-O 3.48Å; L181-Q194 PolarHBondContact O-N 3.36Å; L181-L196 HydrophobicContact CD1-CD2 3.83Å; L181-L196 HydrophobicContact CD2-CD2 4.03Å; L181-L196 HydrophobicContact CG-CD2 3.58Å; L181-A236 WeakPolarHBondContact CA-O 3.32Å
182I88.5Confident83.1Confident2 Ų237.4 Ų37.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-101.8126172.6-50.9172.6000107.7L122 I130 Q184 F191 L193 I235 A236 I239L122-I182 HydrophobicContact CD2-CG2 4.41Å; I130-I182 HydrophobicContact CD1-CD1 3.85Å; I130-I182 HydrophobicContact CG1-CD1 4.06Å; I130-I182 HydrophobicContact CG2-CD1 4.39Å; I182-Q184 HydrophobicContact CG2-CB 4.23Å; I182-F191 HydrophobicContact CG2-CB 4.01Å; I182-F191 HydrophobicContact CG2-CD2 4.31Å; I182-F191 HydrophobicContact CG2-CG 4.45Å; I182-L193 HydrophobicContact CB-CD2 4.15Å; I182-L193 HydrophobicContact CG1-CD2 3.63Å; I182-L193 HydrophobicContact CG2-CD2 4.25Å; I182-I235 WeakPolarHBondContact O-CA 3.45Å; I182-A236 HydrophobicContact CB-CB 4.23Å; I182-A236 HydrophobicContact CD1-CB 4.34Å; I182-A236 PolarHBondContact N-O 2.75Å; I182-A236 PolarHBondContact O-N 2.77Å; I182-I239 HydrophobicContact CD1-CD1 3.74Å; I182-I239 HydrophobicContact CD1-CG1 4.18Å; I182-I239 HydrophobicContact CD1-CG2 4.06Å; I182-I239 HydrophobicContact CG1-CD1 3.72Å; I182-I239 HydrophobicContact CG1-CG1 3.96Å
183Y88.6Confident83.2Confident26 Ų2634.9 Ų34.910%0.10219%0.191CC..EExtended strand (participates in β ladder)trans-106.999167.5-72.2-98.7000108.9L181 F191 V192 Q194 P214 P215 V216 K233 L234 I235L181-Y183 HydrophobicContact CB-CE2 4.01Å; Y183-F191 CarbonylContact O-C 3.56Å; Y183-F191 WeakPolarHBondContact O-CA 3.4Å; Y183-V192 PolarHBondContact N-O 2.81Å; Y183-V192 PolarHBondContact O-N 2.85Å; Y183-Q194 HydrophobicContact CD2-CB 4.15Å; Y183-Q194 HydrophobicContact CE2-CB 3.82Å; Y183-Q194 PolarHBondContact OH-OE1 3.39Å; Y183-Q194 VanDerWaalsContact OH-OE1 3.09Å; Y183-P214 HydrophobicContact CE1-CB 4.11Å; Y183-P215 HydrophobicContact CD2-CG 4.21Å; Y183-P215 HydrophobicContact CE2-CG 4.45Å; Y183-V216 HydrophobicContact CD1-CG2 3.55Å; Y183-V216 HydrophobicContact CE1-CG2 4.35Å; Y183-V216 HydrophobicContact CG-CG2 3.9Å; Y183-K233 HydrophobicContact CD1-CB 4.49Å; Y183-L234 WeakPolarHBondContact CA-O 3.34Å; Y183-I235 HydrophobicContact CD1-CD1 4.43Å; Y183-I235 HydrophobicContact CD1-CG1 4.02Å; Y183-I235 HydrophobicContact CE1-CD1 3.76Å; Y183-I235 HydrophobicContact CE1-CG1 3.82Å
184Q86Confident83.5Confident5 Ų532.3 Ų32.32%0.02317%0.17CC..EExtended strand (participates in β ladder)trans-108.4137.5-177.5-177.2168.6-49.900111.8L122 I182 G186 F191 K233 L234L122-Q184 HydrophobicContact CD2-CB 3.79Å; L122-Q184 VanDerWaalsContact CD2-CD 3.44Å; L122-Q184 HydrophobicContact CD2-CG 4.18Å; I182-Q184 HydrophobicContact CG2-CB 4.23Å; Q184-G186 PolarHBondContact O-N 3.25Å; Q184-F191 HydrophobicContact CB-CB 3.89Å; Q184-F191 HydrophobicContact CG-CB 4.11Å; Q184-K233 CarbonylContact O-C 3.37Å; Q184-K233 WeakPolarHBondContact O-CA 3.39Å; Q184-L234 PolarHBondContact N-O 2.91Å; Q184-L234 PolarHBondContact O-N 2.86Å
185C84.5Confident83.8Confident5 Ų531.6 Ų31.63%0.03417%0.172CC..EExtended strand (participates in β ladder)trans-70.9122.3167.8-1760000110.1S187 E189 S190 C220C185-S187 PolarHBondContact O-N 3.43Å; C185-S187 VanDerWaalsContact O-N 3.08Å; C185-E189 WeakPolarHBondContact O-CA 3.29Å; C185-E189 PolarHBondContact O-N 3.28Å; C185-S190 PolarHBondContact N-O 3Å; C185-C220 HydrophobicContact CB-CB 4.29Å
186G80.6Confident84.6Confident44 Ų4434.9 Ų34.945%0.45419%0.188SC..THydrogen-bonded Turntrans-66.3-7.7176.500000115Q184 I232Q184-G186 PolarHBondContact O-N 3.25Å; G186-I232 PolarHBondContact N-O 2.88Å
187S80.4Confident85.2Confident16 Ų1630 Ų3011%0.11217%0.171CC..THydrogen-bonded Turntrans-103.7-62.5-177.5176.70000111.6C185 N226 L298 P365C185-S187 PolarHBondContact O-N 3.43Å; C185-S187 VanDerWaalsContact O-N 3.08Å; S187-N226 VanDerWaalsContact CB-OD1 3.28Å; S187-N226 WeakPolarHBondContact CB-OD1 3.42Å; S187-N226 PolarHBondContact OG-OD1 2.92Å; S187-L298 WeakPolarHBondContact O-CD2 3.21Å; S187-P365 WeakPolarHBondContact OG-CG 3.12Å
188C79.9Confident85.5Confident2 Ų231.9 Ų31.91%0.01418%0.178CC..THydrogen-bonded Turntrans-94.42.9-179.468.30000114.7S190 C223 L298 W341 I369C188-S190 PolarHBondContact O-N 2.84Å; C188-S190 PolarHBondContact SG-OG 2.85Å; C188-S190 VanDerWaalsContact SG-OG 3.41Å; C188-C223 HydrophobicContact CB-CB 3.99Å; C188-L298 HydrophobicContact CB-CD1 4.11Å; C188-L298 WeakPolarHBondContact O-CD1 3.27Å; C188-W341 HydrophobicContact CB-CH2 4.11Å; C188-W341 HydrophobicContact CB-CZ2 3.75Å; C188-W341 VanDerWaalsContact O-CZ2 3.32Å; C188-W341 WeakPolarHBondContact O-CZ2 3.5Å; C188-I369 HydrophobicContact CB-CD1 3.89Å
189E79.9Confident85.7Confident55 Ų5535.2 Ų35.226%0.25719%0.191SC..  trans57.16.6-178-58-171.1147.800115.8K125 C185 F191K125-E189 VanDerWaalsContact CD-OE2 3.28Å; K125-E189 WeakPolarHBondContact CD-OE2 3.5Å; K125-E189 WeakPolarHBondContact CE-OE2 3.46Å; C185-E189 WeakPolarHBondContact O-CA 3.29Å; C185-E189 PolarHBondContact O-N 3.28Å; E189-F191 PolarHBondContact O-N 2.88Å
190S82.8Confident85.5Confident6 Ų635.5 Ų35.54%0.04220%0.195CC..  trans-59.9123.2171-70.40000110.4C185 C188 Y222 W341C185-S190 PolarHBondContact N-O 3Å; C188-S190 PolarHBondContact O-N 2.84Å; C188-S190 PolarHBondContact SG-OG 2.85Å; C188-S190 VanDerWaalsContact SG-OG 3.41Å; S190-Y222 VanDerWaalsContact OG-CD2 3.32Å; S190-Y222 WeakPolarHBondContact OG-CD2 3.45Å; S190-W341 WeakPolarHBondContact OG-CZ2 3.24Å; S190-W341 PolarHBondContact OG-NE1 2.9Å
191F83.3Confident85.4Confident11 Ų1139.6 Ų39.65%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-121157.7-179.173.8-88.4000113.4I182 Y183 Q184 E189 L193 K292 N337I182-F191 HydrophobicContact CG2-CB 4.01Å; I182-F191 HydrophobicContact CG2-CD2 4.31Å; I182-F191 HydrophobicContact CG2-CG 4.45Å; Y183-F191 CarbonylContact O-C 3.56Å; Y183-F191 WeakPolarHBondContact O-CA 3.4Å; Q184-F191 HydrophobicContact CB-CB 3.89Å; Q184-F191 HydrophobicContact CG-CB 4.11Å; E189-F191 PolarHBondContact O-N 2.88Å; F191-L193 HydrophobicContact CD2-CD2 4.05Å; F191-L193 HydrophobicContact CD2-CG 4.26Å; F191-L193 HydrophobicContact CE2-CD2 4.14Å; F191-L193 HydrophobicContact CE2-CG 4.12Å; F191-K292 HydrophobicContact CE1-CB 4.41Å; F191-K292 HydrophobicContact CZ-CB 4.2Å; F191-N337 PolarHBondContact O-ND2 3.25Å
192V85.3Confident85.1Confident48 Ų4840.5 Ų40.529%0.29124%0.237SC..EExtended strand (participates in β ladder)trans-132.2137.9171.7178.10000107.4Y183 P215 V216Y183-V192 PolarHBondContact N-O 2.81Å; Y183-V192 PolarHBondContact O-N 2.85Å; V192-P215 HydrophobicContact CG1-CB 4.18Å; V192-P215 HydrophobicContact CG1-CG 3.98Å; V192-V216 HydrophobicContact CB-CG1 3.86Å; V192-V216 HydrophobicContact CG1-CG1 4.43Å; V192-V216 HydrophobicContact CG2-CG1 3.72Å
193L86.3Confident84.8Confident28 Ų2847.3 Ų47.315%0.14728%0.284CS..EExtended strand (participates in β ladder)trans-94.8135.3172.7-59.3-176.5000110L181 I182 F191 I239 Y288L181-L193 CarbonylContact O-C 3.54Å; L181-L193 WeakPolarHBondContact O-CA 3.09Å; I182-L193 HydrophobicContact CB-CD2 4.15Å; I182-L193 HydrophobicContact CG1-CD2 3.63Å; I182-L193 HydrophobicContact CG2-CD2 4.25Å; F191-L193 HydrophobicContact CD2-CD2 4.05Å; F191-L193 HydrophobicContact CD2-CG 4.26Å; F191-L193 HydrophobicContact CE2-CD2 4.14Å; F191-L193 HydrophobicContact CE2-CG 4.12Å; L193-I239 HydrophobicContact CD2-CD1 4.2Å; L193-Y288 VanDerWaalsContact CD1-C 3.44Å; L193-Y288 HydrophobicContact CD1-CD1 3.22Å; L193-Y288 HydrophobicContact CD1-CE1 3.88Å; L193-Y288 HydrophobicContact CD1-CG 3.9Å; L193-Y288 VanDerWaalsContact CD1-O 3.28Å; L193-Y288 WeakPolarHBondContact CD1-O 3.28Å; L193-Y288 HydrophobicContact CD2-CD1 4.4Å; L193-Y288 HydrophobicContact CD2-CE1 4.35Å; L193-Y288 HydrophobicContact CG-CD1 4.4Å
194Q87.4Confident84.3Confident26 Ų2649.8 Ų49.812%0.12132%0.317CS..EExtended strand (participates in β ladder)trans-115.9117.8173.2-166-172-12.200109.3S180 L181 Y183 L212 P215S180-Q194 CarbonylContact C-O 3.59Å; S180-Q194 WeakPolarHBondContact CA-O 3.39Å; S180-Q194 WeakPolarHBondContact CB-O 3.29Å; L181-Q194 PolarHBondContact N-O 3.48Å; L181-Q194 PolarHBondContact O-N 3.36Å; Y183-Q194 HydrophobicContact CD2-CB 4.15Å; Y183-Q194 HydrophobicContact CE2-CB 3.82Å; Y183-Q194 PolarHBondContact OH-OE1 3.39Å; Y183-Q194 VanDerWaalsContact OH-OE1 3.09Å; Q194-L212 PolarHBondContact NE2-O 3.03Å; Q194-P215 HydrophobicContact CB-CG 3.95Å; Q194-P215 HydrophobicContact CG-CG 4.07Å
195S89.1Confident84.1Confident56 Ų5651.7 Ų51.739%0.39234%0.339SS..EExtended strand (participates in β ladder)trans-58.6139.9168.8-172.40000110.3S180 A197 A211S180-S195 WeakPolarHBondContact OG-CA 3.47Å; S195-A197 VanDerWaalsContact C-N 3.32Å; S195-A197 PolarHBondContact OG-O 3.25Å; S195-A211 WeakPolarHBondContact O-CB 3.39Å
196L88.4Confident84.1Confident77 Ų7754 Ų5440%0.40336%0.355SS..SBendtrans-71-30.2176.6-71.1175.2000112.7K179 L181 A211 P238K179-L196 HydrophobicContact CB-CD1 3.64Å; K179-L196 HydrophobicContact CB-CG 4.38Å; K179-L196 PolarHBondContact O-N 3.33Å; L181-L196 HydrophobicContact CD1-CD2 3.83Å; L181-L196 HydrophobicContact CD2-CD2 4.03Å; L181-L196 HydrophobicContact CG-CD2 3.58Å; L196-A211 WeakPolarHBondContact O-CB 3.45Å; L196-A211 PolarHBondContact O-N 2.9Å; L196-P238 HydrophobicContact CD1-CB 3.86Å
197A86.9Confident84.3Confident26 Ų2657.4 Ų57.422%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-130.7148.3-179.600000111S195 F208 T209S195-A197 VanDerWaalsContact C-N 3.32Å; S195-A197 PolarHBondContact OG-O 3.25Å; A197-F208 HydrophobicContact CB-CB 4.11Å; A197-F208 HydrophobicContact CB-CD1 3.89Å; A197-F208 HydrophobicContact CB-CG 4.43Å; A197-T209 CarbonylContact C-O 3.58Å; A197-T209 VanDerWaalsContact CA-O 3.29Å; A197-T209 WeakPolarHBondContact CA-O 3.2Å
198R85Confident84.6Confident127 Ų12759.2 Ų59.248%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-102.4135.3167.267.4-179.8-174.8148.4-0.1109.4V200 F208 T209R198-V200 HydrophobicContact CG-CG2 4.05Å; R198-F208 WeakPolarHBondContact O-CA 3.34Å; R198-T209 WeakPolarHBondContact CG-OG1 3.5Å; R198-T209 PolarHBondContact N-O 3.16Å; R198-T209 PolarHBondContact NE-OG1 2.56Å; R198-T209 PolarHBondContact O-N 2.88Å
199Q85.6Confident84.9Confident102 Ų10260.8 Ų60.848%0.47737%0.373SS..EExtended strand (participates in β ladder)trans-83.6125.2172.1-168.4174.53.400108.5S206 F208Q199-S206 PolarHBondContact NE2-OG 3.19Å; Q199-F208 HydrophobicContact CB-CD1 4.24Å; Q199-F208 HydrophobicContact CB-CE1 3.8Å; Q199-F208 HydrophobicContact CB-CZ 4.24Å; Q199-F208 HydrophobicContact CG-CE1 4.14Å; Q199-F208 HydrophobicContact CG-CZ 4.07Å
200V85.8Confident85.4Confident42 Ų4265 Ų6526%0.25540%0.397SS..EExtended strand (participates in β ladder)trans-117.6128.9179.6-1770000107.8R198 S206 K207 T209R198-V200 HydrophobicContact CG-CG2 4.05Å; V200-S206 CarbonylContact O-C 3.6Å; V200-S206 WeakPolarHBondContact O-CA 3.37Å; V200-K207 HydrophobicContact CB-CG 4.23Å; V200-K207 PolarHBondContact N-O 2.94Å; V200-K207 PolarHBondContact O-N 2.83Å; V200-T209 HydrophobicContact CG2-CG2 4.21Å; V200-T209 WeakPolarHBondContact CG2-OG1 3.09Å
201A86.6Confident85.6Confident90 Ų9066.1 Ų66.174%0.74441%0.407SS*.EExtended strand (participates in β ladder)trans-64139174.200000110.5
202T86Confident85.7Confident57 Ų5772.4 Ų72.435%0.3544%0.44SS..EExtended strand (participates in β ladder)trans-127.5163.9173.256.70000109G204 G205 K207T202-G204 PolarHBondContact O-N 3.14Å; T202-G204 VanDerWaalsContact O-N 3.07Å; T202-G205 PolarHBondContact N-O 3.1Å; T202-G205 PolarHBondContact O-N 3.42Å; T202-G205 VanDerWaalsContact O-N 3.11Å; T202-G205 PolarHBondContact OG1-N 3.36Å; T202-G205 PolarHBondContact OG1-O 2.89Å; T202-K207 HydrophobicContact CG2-CB 4.13Å; T202-K207 HydrophobicContact CG2-CD 3.7Å; T202-K207 HydrophobicContact CG2-CG 3.66Å
203S82.1Confident85.6Confident144 Ų14472.6 Ų72.6100%1.00745%0.452SS*.THydrogen-bonded Turntrans-55-27.2179.347.60000114.1
204G78.9Confident85.5Confident78 Ų7875.5 Ų75.580%0.80447%0.472SS*.THydrogen-bonded Turntrans-112.417.6178.600000115.2T202T202-G204 PolarHBondContact O-N 3.14Å; T202-G204 VanDerWaalsContact O-N 3.07Å
205G81.8Confident85.4Confident46 Ų4677.3 Ų77.347%0.47449%0.487SS..EExtended strand (participates in β ladder)trans142.1-121.4177.600000113.4T202T202-G205 PolarHBondContact N-O 3.1Å; T202-G205 PolarHBondContact O-N 3.42Å; T202-G205 VanDerWaalsContact O-N 3.11Å; T202-G205 PolarHBondContact OG1-N 3.36Å; T202-G205 PolarHBondContact OG1-O 2.89Å
206S83.7Confident85.2Confident54 Ų5475.9 Ų75.938%0.37848%0.476SS..EExtended strand (participates in β ladder)trans-144.5143.7178.869.60000112Q199 V200Q199-S206 PolarHBondContact NE2-OG 3.19Å; V200-S206 CarbonylContact O-C 3.6Å; V200-S206 WeakPolarHBondContact O-CA 3.37Å
207K85.7Confident85Confident115 Ų11578.9 Ų78.950%0.549%0.488SS..EExtended strand (participates in β ladder)trans-117.2148.817370-179.6175.9-177.10110.8V200 T202 T209V200-K207 HydrophobicContact CB-CG 4.23Å; V200-K207 PolarHBondContact N-O 2.94Å; V200-K207 PolarHBondContact O-N 2.83Å; T202-K207 HydrophobicContact CG2-CB 4.13Å; T202-K207 HydrophobicContact CG2-CD 3.7Å; T202-K207 HydrophobicContact CG2-CG 3.66Å; K207-T209 HydrophobicContact CD-CG2 4.2Å; K207-T209 HydrophobicContact CG-CG2 4.1Å
208F85.7Confident84.8Confident53 Ų5386.3 Ų86.323%0.23252%0.515CS..EExtended strand (participates in β ladder)trans-90.8132.9169.9-71.7-84.8000109.3K176 R177 A197 R198 Q199K176-F208 HydrophobicContact CB-CD2 3.63Å; K176-F208 HydrophobicContact CB-CE2 3.94Å; K176-F208 HydrophobicContact CB-CG 4.03Å; K176-F208 HydrophobicContact CD-CD2 3.99Å; K176-F208 HydrophobicContact CG-CD2 4.43Å; R177-F208 HydrophobicContact CG-CE1 4.12Å; R177-F208 HydrophobicContact CG-CE2 4.23Å; R177-F208 HydrophobicContact CG-CZ 3.49Å; R177-F208 VanDerWaalsContact CG-CZ 3.49Å; A197-F208 HydrophobicContact CB-CB 4.11Å; A197-F208 HydrophobicContact CB-CD1 3.89Å; A197-F208 HydrophobicContact CB-CG 4.43Å; R198-F208 WeakPolarHBondContact O-CA 3.34Å; Q199-F208 HydrophobicContact CB-CD1 4.24Å; Q199-F208 HydrophobicContact CB-CE1 3.8Å; Q199-F208 HydrophobicContact CB-CZ 4.24Å; Q199-F208 HydrophobicContact CG-CE1 4.14Å; Q199-F208 HydrophobicContact CG-CZ 4.07Å
209T87Confident84.8Confident35 Ų3583.6 Ų83.622%0.21551%0.512CS..EExtended strand (participates in β ladder)trans-128.7165.4173.862.90000109.6A197 R198 V200 K207 A211A197-T209 CarbonylContact C-O 3.58Å; A197-T209 VanDerWaalsContact CA-O 3.29Å; A197-T209 WeakPolarHBondContact CA-O 3.2Å; R198-T209 WeakPolarHBondContact CG-OG1 3.5Å; R198-T209 PolarHBondContact N-O 3.16Å; R198-T209 PolarHBondContact NE-OG1 2.56Å; R198-T209 PolarHBondContact O-N 2.88Å; V200-T209 HydrophobicContact CG2-CG2 4.21Å; V200-T209 WeakPolarHBondContact CG2-OG1 3.09Å; K207-T209 HydrophobicContact CD-CG2 4.2Å; K207-T209 HydrophobicContact CG-CG2 4.1Å; T209-A211 PolarHBondContact O-N 3.08Å
210N88.9Confident84.7Confident144 Ų14479 Ų7977%0.7749%0.492SS*.EExtended strand (participates in β ladder)trans-54.6135.2-180-62.3-5.3000111
211A87.5Confident84.8Confident29 Ų2982.4 Ų82.424%0.2450%0.503CS..PPolyproline II helixtrans-68152.4171.800000111.2S195 L196 T209S195-A211 WeakPolarHBondContact O-CB 3.39Å; L196-A211 WeakPolarHBondContact O-CB 3.45Å; L196-A211 PolarHBondContact O-N 2.9Å; T209-A211 PolarHBondContact O-N 3.08Å
212L85.7Confident84.7Confident143 Ų14379.1 Ų79.175%0.74947%0.472SS*.PPolyproline II helixtrans-84.2138.1171.8-58.9176000109Q194Q194-L212 PolarHBondContact NE2-O 3.03Å
213G82.3Confident84.6Confident53 Ų5376.5 Ų76.555%0.54646%0.456SS..  trans-169177.8179.200000114.4
214P84.9Confident84.5Confident88 Ų8871 Ų7157%0.57142%0.422SS*.  cis-74.5152.6-0.130.9-35.3000112.9Y183 V216Y183-P214 HydrophobicContact CE1-CB 4.11Å; P214-V216 PolarHBondContact O-N 2.9Å
215P85.3Confident84.2Confident65 Ų6567.8 Ų67.842%0.42239%0.389SS..SBendtrans-81.31.517935.4-38.7000113Y183 V192 Q194Y183-P215 HydrophobicContact CD2-CG 4.21Å; Y183-P215 HydrophobicContact CE2-CG 4.45Å; V192-P215 HydrophobicContact CG1-CB 4.18Å; V192-P215 HydrophobicContact CG1-CG 3.98Å; Q194-P215 HydrophobicContact CB-CG 3.95Å; Q194-P215 HydrophobicContact CG-CG 4.07Å
216V85.7Confident83.3Confident26 Ų2669.2 Ų69.216%0.15839%0.385CS..SBendtrans-128146.8-176.1-660000109.9Y183 V192 P214 K233Y183-V216 HydrophobicContact CD1-CG2 3.55Å; Y183-V216 HydrophobicContact CE1-CG2 4.35Å; Y183-V216 HydrophobicContact CG-CG2 3.9Å; V192-V216 HydrophobicContact CB-CG1 3.86Å; V192-V216 HydrophobicContact CG1-CG1 4.43Å; V192-V216 HydrophobicContact CG2-CG1 3.72Å; P214-V216 PolarHBondContact O-N 2.9Å; V216-K233 HydrophobicContact CG2-CD 4.29Å; V216-K233 HydrophobicContact CG2-CG 3.99Å
217Q84.6Confident81.9Confident140 Ų14073.1 Ų73.165%0.65440%0.396SS*.  trans-71.1166.1171.3-65.8176.9-1900111.2T219Q217-T219 VanDerWaalsContact C-N 3.28Å; Q217-T219 PolarHBondContact O-N 3.02Å
218K81.1Confident80.2Confident181 Ų18179.4 Ų79.479%0.78742%0.416SS*.SBendtrans-56.4-42.3177.3-69-175.7178.6-179.90111.9
219T85.2Confident78.1Confident70 Ų7080.3 Ų80.343%0.42943%0.426SS..SBendtrans-99.3154.2178.254.30000111.4Q217 K221Q217-T219 VanDerWaalsContact C-N 3.28Å; Q217-T219 PolarHBondContact O-N 3.02Å; T219-K221 PolarHBondContact O-N 2.88Å
220C84.9Confident75.8Confident7 Ų782.1 Ų82.15%0.04744%0.441CS..  trans-75.9120.3176.1-1720000110.4C185 Y222 G224C185-C220 HydrophobicContact CB-CB 4.29Å; C220-Y222 PolarHBondContact O-N 2.75Å; C220-G224 WeakPolarHBondContact O-CA 3.2Å; C220-G224 PolarHBondContact O-N 2.91Å
221K86.4Confident73.9Confident112 Ų11280.8 Ų80.849%0.48743%0.433SS..THydrogen-bonded Turntrans-61.5-13178.471.1171.2-173.3158.10115.7T219 D338T219-K221 PolarHBondContact O-N 2.88Å; K221-D338 WeakPolarHBondContact CE-OD1 3.42Å; K221-D338 IonicContact NZ-OD1 3.24Å; K221-D338 PolarHBondContact NZ-OD1 3.4Å; K221-D338 IonicContact NZ-OD2 2.82Å; K221-D338 PolarHBondContact NZ-OD2 2.83Å
222Y85.5Confident72.5Confident21 Ų2183.7 Ų83.78%0.08244%0.443CS..THydrogen-bonded Turntrans-98.1-50.6-178.7-54.4-66.5000113S190 C220 N337 D338 W341 I369 L372S190-Y222 VanDerWaalsContact OG-CD2 3.32Å; S190-Y222 WeakPolarHBondContact OG-CD2 3.45Å; C220-Y222 PolarHBondContact O-N 2.75Å; Y222-N337 HydrophobicContact CE1-CB 4.4Å; Y222-N337 HydrophobicContact CE2-CB 3.77Å; Y222-N337 VanDerWaalsContact CZ-CB 3.48Å; Y222-N337 WeakPolarHBondContact OH-CB 3.13Å; Y222-D338 HydrophobicContact CE1-CB 4.47Å; Y222-D338 VanDerWaalsContact CE1-OD1 3.26Å; Y222-D338 WeakPolarHBondContact CE1-OD1 3.46Å; Y222-D338 PolarHBondContact OH-N 3.38Å; Y222-D338 PolarHBondContact OH-OD1 3.19Å; Y222-D338 PolarHBondContact OH-OD2 3.03Å; Y222-W341 AromaticContact CD1-CD1 3.31Å; Y222-W341 HydrophobicContact CD1-CG 4.19Å; Y222-W341 AromaticContact CD1-NE1 3.85Å; Y222-W341 AromaticContact CD2-CD1 3.92Å; Y222-W341 AromaticContact CD2-NE1 3.61Å; Y222-W341 AromaticContact CE1-CD1 3.57Å; Y222-W341 AromaticContact CG-CD1 3.5Å; Y222-W341 VanDerWaalsContact CG-CD1 3.5Å; Y222-W341 HydrophobicContact CG-CG 4.47Å; Y222-W341 AromaticContact CG-NE1 3.51Å; Y222-W341 AromaticContact CZ-CD1 3.97Å; Y222-I369 WeakPolarHBondContact O-CG1 3.36Å; Y222-L372 WeakPolarHBondContact O-CD1 3.38Å
223C83.8Confident71.6Confident2 Ų278.8 Ų78.81%0.01442%0.416CS..THydrogen-bonded Turntrans-114.50.6-175.772.10000113.7C188 G225 P365 R368 I369C188-C223 HydrophobicContact CB-CB 3.99Å; C223-G225 PolarHBondContact O-N 3.27Å; C223-G225 PolarHBondContact SG-N 3.05Å; C223-P365 HydrophobicContact CB-CB 3.89Å; C223-R368 WeakPolarHBondContact O-CD 3.07Å; C223-R368 PolarHBondContact O-NH1 3.33Å; C223-I369 HydrophobicContact CB-CD1 4.14Å; C223-I369 HydrophobicContact CB-CG1 4.08Å
224G79.1Confident71.7Confident29 Ų2979.3 Ų79.330%0.29941%0.406SS..  trans69.2-16.7-174.300000115.8C220C220-G224 WeakPolarHBondContact O-CA 3.2Å; C220-G224 PolarHBondContact O-N 2.91Å
225G73.7Confident72Confident11 Ų1179.8 Ų79.811%0.11340%0.402CS..  trans92.8173.4-170.600000112.5C223 R368C223-G225 PolarHBondContact O-N 3.27Å; C223-G225 PolarHBondContact SG-N 3.05Å; G225-R368 PolarHBondContact O-NH1 3.01Å
226N62.7Low72.3Confident75 Ų7576.7 Ų76.740%0.40138%0.383SS..BIsolated β-bridgetrans-79.5137.7-179.5-72-17.6000110.4S187 R228 V229 S230S187-N226 VanDerWaalsContact CB-OD1 3.28Å; S187-N226 WeakPolarHBondContact CB-OD1 3.42Å; S187-N226 PolarHBondContact OG-OD1 2.92Å; N226-R228 PolarHBondContact O-N 2.68Å; N226-R228 VanDerWaalsContact O-N 3.13Å; N226-V229 CarbonylContact O-C 2.97Å; N226-V229 PolarHBondContact O-N 2.77Å; N226-S230 PolarHBondContact O-N 3.43Å; N226-S230 VanDerWaalsContact O-N 3.17Å
227F53.5Low72.5Confident136 Ų13675.8 Ų75.860%0.59638%0.378SS*.THydrogen-bonded Turntrans-57.3-29.5-179.5-96.5-74.1000114R363F227-R363 HydrophobicContact CD2-CB 3.57Å; F227-R363 HydrophobicContact CD2-CG 3.6Å; F227-R363 HydrophobicContact CE2-CB 3.9Å; F227-R363 HydrophobicContact CE2-CG 3.61Å
228R49.8Very low73Confident247 Ų24770.6 Ų70.693%0.93236%0.357SS*.THydrogen-bonded Turntrans-81.3-20.2178.8-73.8-174.2176175.9-1114N226N226-R228 PolarHBondContact O-N 2.68Å; N226-R228 VanDerWaalsContact O-N 3.13Å
229V43.7Very low73.6Confident73 Ų7362 Ų6244%0.44232%0.319SS..BIsolated β-bridgetrans-147.388.4173-162.80000107N226 L231 I232N226-V229 CarbonylContact O-C 2.97Å; N226-V229 PolarHBondContact O-N 2.77Å; V229-L231 HydrophobicContact CG1-CB 4.35Å; V229-L231 PolarHBondContact O-N 3Å; V229-L231 VanDerWaalsContact O-O 3.13Å; V229-I232 HydrophobicContact CB-CD1 4.08Å; V229-I232 HydrophobicContact CG1-CD1 3.38Å; V229-I232 HydrophobicContact CG1-CG1 3.8Å
230S38.6Very low73.9Confident73 Ų7359.4 Ų59.451%0.5130%0.302SS..SBendtrans-717.1-179.659.20000113.5N226N226-S230 PolarHBondContact O-N 3.43Å; N226-S230 VanDerWaalsContact O-N 3.17Å
231L48.7Very low74.2Confident115 Ų11559.7 Ų59.760%0.60230%0.304SS*.  trans-111.7-177.6179-62.4166.7000108.1V229V229-L231 HydrophobicContact CG1-CB 4.35Å; V229-L231 PolarHBondContact O-N 3Å; V229-L231 VanDerWaalsContact O-O 3.13Å
232I57.1Low74.3Confident91 Ų9155.2 Ų55.247%0.46729%0.288SS..  trans84.662.2173.9-34.8166.6000113.4G186 V229 L234G186-I232 PolarHBondContact N-O 2.88Å; V229-I232 HydrophobicContact CB-CD1 4.08Å; V229-I232 HydrophobicContact CG1-CD1 3.38Å; V229-I232 HydrophobicContact CG1-CG1 3.8Å; I232-L234 HydrophobicContact CG2-CD2 3.3Å; I232-L234 HydrophobicContact CG2-CG 3.73Å; I232-L234 PolarHBondContact O-N 3.29Å
233K67.3Low74.4Confident39 Ų3956.5 Ų56.517%0.1730%0.299CS..EExtended strand (participates in β ladder)trans-59.6109.7130.9-66.7-67.8-173.2175.90106.7Y183 Q184 V216 I235Y183-K233 HydrophobicContact CD1-CB 4.49Å; Q184-K233 CarbonylContact O-C 3.37Å; Q184-K233 WeakPolarHBondContact O-CA 3.39Å; V216-K233 HydrophobicContact CG2-CD 4.29Å; V216-K233 HydrophobicContact CG2-CG 3.99Å; K233-I235 PolarHBondContact O-N 3.18Å
234L84.4Confident74.8Confident64 Ų6456.4 Ų56.434%0.33530%0.298SS..EExtended strand (participates in β ladder)trans-65.5130.7169.5-66.2169.8000107.3L122 Y183 Q184 I232L122-L234 HydrophobicContact CD1-CB 3.94Å; L122-L234 HydrophobicContact CD1-CD1 3.67Å; L122-L234 HydrophobicContact CD1-CG 4.39Å; Y183-L234 WeakPolarHBondContact CA-O 3.34Å; Q184-L234 PolarHBondContact N-O 2.91Å; Q184-L234 PolarHBondContact O-N 2.86Å; I232-L234 HydrophobicContact CG2-CD2 3.3Å; I232-L234 HydrophobicContact CG2-CG 3.73Å; I232-L234 PolarHBondContact O-N 3.29Å
235I90.3Very high75.5Confident98 Ų9855.4 Ų55.450%0.50329%0.286SS..EExtended strand (participates in β ladder)trans-102.6126.4173.8-56.5177.7000107.2I182 Y183 K233I182-I235 WeakPolarHBondContact O-CA 3.45Å; Y183-I235 HydrophobicContact CD1-CD1 4.43Å; Y183-I235 HydrophobicContact CD1-CG1 4.02Å; Y183-I235 HydrophobicContact CE1-CD1 3.76Å; Y183-I235 HydrophobicContact CE1-CG1 3.82Å; K233-I235 PolarHBondContact O-N 3.18Å
236A91.4Very high76.4Confident1 Ų157 Ų571%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-131.4164.417500000110.8M120 L122 L181 I182M120-A236 WeakPolarHBondContact O-CB 3.29Å; L122-A236 HydrophobicContact CB-CB 3.83Å; L122-A236 HydrophobicContact CD2-CB 4.39Å; L181-A236 WeakPolarHBondContact CA-O 3.32Å; I182-A236 HydrophobicContact CB-CB 4.23Å; I182-A236 HydrophobicContact CD1-CB 4.34Å; I182-A236 PolarHBondContact N-O 2.75Å; I182-A236 PolarHBondContact O-N 2.77Å
237G92Very high77.8Confident6 Ų655.8 Ų55.86%0.06228%0.284CS..EExtended strand (participates in β ladder)trans108.2-172-175.500000113.8S119 M120S119-G237 WeakPolarHBondContact CA-O 3.33Å; S119-G237 VanDerWaalsContact OG-CA 3.23Å; S119-G237 WeakPolarHBondContact OG-CA 3.17Å; S119-G237 PolarHBondContact OG-O 3.45Å; M120-G237 PolarHBondContact N-O 3.49Å; M120-G237 PolarHBondContact O-N 3.02Å
238P94Very high79.7Confident31 Ų3156 Ų5620%0.20129%0.287CS..EExtended strand (participates in β ladder)cis-71.1133.67.831.1-38.8000114.6G118 S119 S137 L196G118-P238 WeakPolarHBondContact O-CD 3.46Å; S119-P238 PolarHBondContact OG-O 2.85Å; S137-P238 WeakPolarHBondContact CB-O 3.45Å; S137-P238 PolarHBondContact OG-O 3.11Å; L196-P238 HydrophobicContact CD1-CB 3.86Å
239I93.3Very high81.9Confident0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-111.3157.1175.863.9149.3000112.2I130 R133 I134 K179 S180 I182 L193 S241 Y288I130-I239 HydrophobicContact CG2-CG2 4.43Å; R133-I239 HydrophobicContact CB-CB 4.02Å; R133-I239 HydrophobicContact CB-CD1 4.46Å; I134-I239 HydrophobicContact CG1-CG2 3.74Å; K179-I239 WeakPolarHBondContact CA-O 3.44Å; S180-I239 PolarHBondContact N-O 2.9Å; S180-I239 VanDerWaalsContact O-CG1 3.31Å; S180-I239 WeakPolarHBondContact O-CG1 3.28Å; S180-I239 PolarHBondContact O-N 2.81Å; I182-I239 HydrophobicContact CD1-CD1 3.74Å; I182-I239 HydrophobicContact CD1-CG1 4.18Å; I182-I239 HydrophobicContact CD1-CG2 4.06Å; I182-I239 HydrophobicContact CG1-CD1 3.72Å; I182-I239 HydrophobicContact CG1-CG1 3.96Å; L193-I239 HydrophobicContact CD2-CD1 4.2Å; I239-S241 PolarHBondContact O-N 2.64Å; I239-Y288 HydrophobicContact CD1-CD1 3.92Å; I239-Y288 HydrophobicContact CD1-CE1 3.79Å
240W92.9Very high84.3Confident16 Ų1642.8 Ų42.86%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-71.8118.1168.3-176.5-95000110.8R133 I136 D140 V150 P152 S178 A242 P243R133-W240 HydrophobicContact CB-CB 4.25Å; R133-W240 WeakPolarHBondContact CB-O 3.26Å; R133-W240 VanDerWaalsContact CD-O 3.23Å; R133-W240 WeakPolarHBondContact CD-O 3.3Å; R133-W240 VanDerWaalsContact CG-O 3.26Å; R133-W240 WeakPolarHBondContact CG-O 3.44Å; R133-W240 PolarHBondContact NH1-O 2.82Å; R133-W240 WeakPolarHBondContact O-CB 3.23Å; R133-W240 PolarHBondContact O-N 3.36Å; I136-W240 HydrophobicContact CB-CB 3.96Å; I136-W240 HydrophobicContact CB-CG 4.15Å; I136-W240 HydrophobicContact CG2-CB 3.9Å; I136-W240 HydrophobicContact CG2-CD2 3.52Å; I136-W240 HydrophobicContact CG2-CE3 3.78Å; I136-W240 HydrophobicContact CG2-CG 3.59Å; I136-W240 HydrophobicContact CG2-CZ3 4.45Å; D140-W240 HydrophobicContact CB-CE3 4.34Å; D140-W240 HydrophobicContact CB-CZ3 4.11Å; V150-W240 HydrophobicContact CG2-CH2 4.36Å; V150-W240 HydrophobicContact CG2-CZ3 4.23Å; P152-W240 HydrophobicContact CG-CZ2 3.84Å; S178-W240 CarbonylContact O-C 3.56Å; S178-W240 WeakPolarHBondContact O-CA 2.93Å; W240-A242 HydrophobicContact CZ2-CB 3.84Å; W240-A242 PolarHBondContact NE1-O 3.41Å; W240-P243 PolarHBondContact NE1-O 3.15Å
241S89.8Confident87Confident14 Ų1443.1 Ų43.110%0.09822%0.224CC..  trans-106.1-5.5-176.560.90000114.8S178 S180 I239 Y288S178-S241 PolarHBondContact O-N 2.92Å; S178-S241 PolarHBondContact O-OG 2.95Å; S180-S241 WeakPolarHBondContact OG-CB 3.27Å; S180-S241 PolarHBondContact OG-OG 2.98Å; I239-S241 PolarHBondContact O-N 2.64Å; S241-Y288 WeakPolarHBondContact O-CB 3.19Å; S241-Y288 PolarHBondContact O-N 3.03Å
242A88Confident89.2Confident18 Ų1844.5 Ų44.515%0.14922%0.221CC..SBendtrans-79.7175.4172.400000111.4R133 S178 W240R133-A242 PolarHBondContact NH1-O 3.36Å; S178-A242 WeakPolarHBondContact OG-CB 3.46Å; W240-A242 HydrophobicContact CZ2-CB 3.84Å; W240-A242 PolarHBondContact NE1-O 3.41Å
243P89.4Confident91Very high48 Ų4842.2 Ų42.231%0.31221%0.211SC..  trans-53.3146.3172.1-27.737.9000111.9W240W240-P243 PolarHBondContact NE1-O 3.15Å
244I91.5Very high92.2Very high0 Ų040.4 Ų40.40%020%0.203CC..SBendtrans-109.66.8-179.861.2172.6000112.4I132 R133 I136 S155I132-I244 HydrophobicContact CG2-CD1 4.23Å; R133-I244 HydrophobicContact CG-CG2 4.25Å; I136-I244 HydrophobicContact CD1-CB 4.12Å; I136-I244 HydrophobicContact CD1-CG2 3.75Å; S155-I244 WeakPolarHBondContact CB-O 3.47Å; S155-I244 PolarHBondContact N-O 2.74Å; S155-I244 PolarHBondContact OG-O 2.82Å
245H93.2Very high92.7Very high8 Ų839 Ų394%0.03721%0.205CC..  trans-144.8138.6-176.6-57.7-69.5000109.4L153 S155 M247 V250 V280 Y283 H325L153-H245 CarbonylContact O-C 3.6Å; L153-H245 WeakPolarHBondContact O-CA 3.39Å; S155-H245 PolarHBondContact N-ND1 2.82Å; S155-H245 PolarHBondContact O-CE1 3.31Å; H245-M247 HydrophobicContact CB-CE 3.17Å; H245-V250 HydrophobicContact CB-CG2 4.45Å; H245-V280 HydrophobicContact CB-CG1 4.41Å; H245-V280 VanDerWaalsContact CE1-CG1 3.46Å; H245-V280 WeakPolarHBondContact CE1-CG1 3.36Å; H245-V280 WeakPolarHBondContact ND1-CG1 3.17Å; H245-Y283 HydrophobicContact CB-CD1 4.39Å; H245-Y283 AromaticContact CD2-CD1 3.82Å; H245-Y283 AromaticContact CD2-CG 3.9Å; H245-H325 AromaticContact CE1-CE1 3.92Å; H245-H325 AromaticContact NE2-CE1 3.64Å; H245-H325 AromaticContact NE2-ND1 4Å
246D93.3Very high92.9Very high45 Ų4539.7 Ų39.724%0.24121%0.206CC..  trans-94.4111.6162.7175.6-20.7000107.7L153 Q248 F249 V250L153-D246 HydrophobicContact CD2-CB 4.12Å; L153-D246 PolarHBondContact O-N 2.8Å; D246-Q248 VanDerWaalsContact C-N 3.28Å; D246-Q248 PolarHBondContact O-N 3.39Å; D246-Q248 WeakPolarHBondContact OD1-CA 3.17Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.45Å; D246-Q248 PolarHBondContact OD1-N 2.8Å; D246-F249 HydrophobicContact CB-CB 3.86Å; D246-F249 WeakPolarHBondContact O-CB 3.2Å; D246-F249 PolarHBondContact O-N 3.24Å; D246-F249 VanDerWaalsContact O-N 3.16Å; D246-F249 PolarHBondContact OD1-N 3.02Å; D246-F249 VanDerWaalsContact OD1-N 3.12Å; D246-V250 WeakPolarHBondContact O-CG2 3.19Å; D246-V250 PolarHBondContact O-N 3.19Å
247M91.3Very high92.9Very high49 Ų4940.2 Ų40.224%0.24121%0.209CC..Hα-helixtrans-62.6-33.9-177.5-64-63.494.100112.6H245 F249 V250 E251 V280 Y283H245-M247 HydrophobicContact CB-CE 3.17Å; M247-F249 VanDerWaalsContact C-N 3.33Å; M247-V250 HydrophobicContact CE-CG2 4.22Å; M247-V250 PolarHBondContact O-N 3.43Å; M247-E251 WeakPolarHBondContact O-CG 3.45Å; M247-E251 PolarHBondContact O-N 3.01Å; M247-V280 HydrophobicContact CE-CG1 4.45Å; M247-Y283 HydrophobicContact CE-CD1 3.88Å; M247-Y283 HydrophobicContact SD-CD1 4.46Å
248Q93.9Very high93Very high140 Ų14043.5 Ų43.565%0.65422%0.223SC*.Hα-helixtrans-67.1-39.7176.8-61.2-177.4-400110.7D246 R252D246-Q248 VanDerWaalsContact C-N 3.28Å; D246-Q248 PolarHBondContact O-N 3.39Å; D246-Q248 WeakPolarHBondContact OD1-CA 3.17Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.45Å; D246-Q248 PolarHBondContact OD1-N 2.8Å; Q248-R252 WeakPolarHBondContact O-CG 3.39Å; Q248-R252 PolarHBondContact O-N 3.45Å; Q248-R252 VanDerWaalsContact O-N 3.16Å; Q248-R252 PolarHBondContact O-NH1 2.78Å
249F94.8Very high92.9Very high43 Ų4345.4 Ų45.419%0.18924%0.237CC..Hα-helixtrans-63.7-45.1173.3-177.8-94.5000111.4L153 L154 D246 M247 E251 R252 V253L153-F249 HydrophobicContact CB-CD1 3.74Å; L153-F249 HydrophobicContact CB-CD2 4.44Å; L153-F249 HydrophobicContact CB-CE1 3.97Å; L153-F249 HydrophobicContact CB-CG 3.99Å; L153-F249 HydrophobicContact CB-CZ 4.44Å; L153-F249 HydrophobicContact CD1-CD2 3.96Å; L153-F249 HydrophobicContact CD1-CE1 4.43Å; L153-F249 HydrophobicContact CD1-CE2 3.84Å; L153-F249 HydrophobicContact CD1-CG 4.34Å; L153-F249 HydrophobicContact CD1-CZ 4.08Å; L153-F249 HydrophobicContact CD2-CB 4.38Å; L153-F249 HydrophobicContact CD2-CD2 4.42Å; L153-F249 HydrophobicContact CD2-CG 4.33Å; L153-F249 HydrophobicContact CG-CG 4.47Å; L154-F249 HydrophobicContact CB-CD1 4.41Å; L154-F249 HydrophobicContact CB-CE1 4.26Å; D246-F249 HydrophobicContact CB-CB 3.86Å; D246-F249 WeakPolarHBondContact O-CB 3.2Å; D246-F249 PolarHBondContact O-N 3.24Å; D246-F249 VanDerWaalsContact O-N 3.16Å; D246-F249 PolarHBondContact OD1-N 3.02Å; D246-F249 VanDerWaalsContact OD1-N 3.12Å; M247-F249 VanDerWaalsContact C-N 3.33Å; F249-E251 PolarHBondContact O-N 3.12Å; F249-R252 PolarHBondContact O-N 3.35Å; F249-V253 HydrophobicContact CD1-CG2 3.98Å; F249-V253 HydrophobicContact CE1-CG2 3.55Å; F249-V253 HydrophobicContact CE2-CG2 4.29Å; F249-V253 HydrophobicContact CZ-CG2 3.72Å; F249-V253 WeakPolarHBondContact O-CG2 2.96Å; F249-V253 PolarHBondContact O-N 2.76Å
250V94.7Very high92.7Very high0 Ų047.3 Ų47.30%025%0.246CC..Hα-helixtrans-59.7-44.1177.9175.40000111.7L154 H245 D246 M247 R252 V253 L254 L277 V280L154-V250 HydrophobicContact CD1-CG2 4.15Å; H245-V250 HydrophobicContact CB-CG2 4.45Å; D246-V250 WeakPolarHBondContact O-CG2 3.19Å; D246-V250 PolarHBondContact O-N 3.19Å; M247-V250 HydrophobicContact CE-CG2 4.22Å; M247-V250 PolarHBondContact O-N 3.43Å; V250-R252 PolarHBondContact O-N 3.08Å; V250-V253 PolarHBondContact O-N 2.74Å; V250-L254 WeakPolarHBondContact O-CB 3.44Å; V250-L254 PolarHBondContact O-N 3.14Å; V250-L277 HydrophobicContact CG1-CD2 4.25Å; V250-V280 HydrophobicContact CG1-CG1 4.06Å; V250-V280 HydrophobicContact CG2-CG1 3.91Å
251E94.7Very high92.5Very high80 Ų8053.3 Ų53.337%0.37427%0.273SS..Hα-helixtrans-61.7-42.2176.1-70.8-47.6133.500112.2M247 F249 V253 L254 G255 R281M247-E251 WeakPolarHBondContact O-CG 3.45Å; M247-E251 PolarHBondContact O-N 3.01Å; F249-E251 PolarHBondContact O-N 3.12Å; E251-V253 PolarHBondContact O-N 3.2Å; E251-L254 PolarHBondContact O-N 2.8Å; E251-G255 PolarHBondContact O-N 2.93Å; E251-R281 WeakPolarHBondContact OE1-CD 3.47Å; E251-R281 WeakPolarHBondContact OE1-CG 3.44Å
252R95.6Very high92.4Very high143 Ų14356 Ų5654%0.5430%0.303SS..Hα-helixtrans-62.6-44177.1-71.5-168.8-54.4-87.97.9111.7Q248 F249 V250 Q256Q248-R252 WeakPolarHBondContact O-CG 3.39Å; Q248-R252 PolarHBondContact O-N 3.45Å; Q248-R252 VanDerWaalsContact O-N 3.16Å; Q248-R252 PolarHBondContact O-NH1 2.78Å; F249-R252 PolarHBondContact O-N 3.35Å; V250-R252 PolarHBondContact O-N 3.08Å; R252-Q256 WeakPolarHBondContact O-CB 3.31Å; R252-Q256 PolarHBondContact O-N 3.4Å
253V94.3Very high92.4Very high43 Ų4358.2 Ų58.226%0.26132%0.315SS..Hα-helixtrans-65.8-43.1177.6177.70000110.6F249 V250 E251 Q256 V257 L277F249-V253 HydrophobicContact CD1-CG2 3.98Å; F249-V253 HydrophobicContact CE1-CG2 3.55Å; F249-V253 HydrophobicContact CE2-CG2 4.29Å; F249-V253 HydrophobicContact CZ-CG2 3.72Å; F249-V253 WeakPolarHBondContact O-CG2 2.96Å; F249-V253 PolarHBondContact O-N 2.76Å; V250-V253 PolarHBondContact O-N 2.74Å; E251-V253 PolarHBondContact O-N 3.2Å; V253-Q256 PolarHBondContact O-N 3.32Å; V253-V257 HydrophobicContact CG1-CG2 4.41Å; V253-V257 VanDerWaalsContact O-CG2 3.3Å; V253-V257 WeakPolarHBondContact O-CG2 3.46Å; V253-V257 PolarHBondContact O-N 2.92Å; V253-L277 HydrophobicContact CG1-CD1 3.81Å; V253-L277 HydrophobicContact CG1-CD2 4.25Å
254L94.2Very high92.1Very high1 Ų164.4 Ų64.41%0.00535%0.345CS..Hα-helixtrans-60.9-50.3177.3177.659.8000111.2V250 E251 Q256 V257 E258 I274 L277 K278V250-L254 WeakPolarHBondContact O-CB 3.44Å; V250-L254 PolarHBondContact O-N 3.14Å; E251-L254 PolarHBondContact O-N 2.8Å; L254-Q256 VanDerWaalsContact C-N 3.3Å; L254-Q256 PolarHBondContact O-N 3.23Å; L254-V257 PolarHBondContact O-N 2.91Å; L254-E258 HydrophobicContact CD1-CG 4.07Å; L254-E258 HydrophobicContact CG-CG 4.48Å; L254-E258 WeakPolarHBondContact O-CB 3.22Å; L254-E258 WeakPolarHBondContact O-CG 3.36Å; L254-E258 PolarHBondContact O-N 2.79Å; L254-I274 HydrophobicContact CD1-CB 4.44Å; L254-I274 HydrophobicContact CD1-CG1 4.41Å; L254-I274 HydrophobicContact CD1-CG2 4.15Å; L254-L277 HydrophobicContact CB-CB 4.37Å; L254-L277 HydrophobicContact CB-CD1 4.42Å; L254-L277 HydrophobicContact CD1-CB 4Å; L254-L277 HydrophobicContact CD1-CD1 4.46Å; L254-K278 HydrophobicContact CD1-CG 4.09Å; L254-K278 HydrophobicContact CD2-CG 3.9Å
255G94.7Very high91.6Very high36 Ų3668.9 Ų68.937%0.37137%0.367SS..Hα-helixtrans-60.1-39177.600000112.7E251 E258 S259E251-G255 PolarHBondContact O-N 2.93Å; G255-E258 PolarHBondContact O-N 3.13Å; G255-S259 WeakPolarHBondContact O-CB 3.48Å; G255-S259 PolarHBondContact O-N 3.23Å
256Q92.9Very high91.2Very high111 Ų11173.2 Ų73.252%0.51939%0.388SS..Hα-helixtrans-63-48.8175.1-171.567.420.500111.5R252 V253 L254 E258 S259 M260R252-Q256 WeakPolarHBondContact O-CB 3.31Å; R252-Q256 PolarHBondContact O-N 3.4Å; V253-Q256 PolarHBondContact O-N 3.32Å; L254-Q256 VanDerWaalsContact C-N 3.3Å; L254-Q256 PolarHBondContact O-N 3.23Å; Q256-E258 VanDerWaalsContact C-N 3.33Å; Q256-E258 PolarHBondContact O-N 2.9Å; Q256-S259 PolarHBondContact O-N 3.14Å; Q256-S259 PolarHBondContact O-OG 3.22Å; Q256-M260 HydrophobicContact CG-CE 3.8Å; Q256-M260 WeakPolarHBondContact O-CG 3.29Å; Q256-M260 PolarHBondContact O-N 3.11Å; Q256-M260 VanDerWaalsContact O-N 3.17Å
257V92.7Very high90.8Very high13 Ų1373.2 Ų73.28%0.07939%0.387CS..Hα-helixtrans-64.8-38.5179.3175.80000111.2V253 L254 M260 K261 T270 L273 I274 L277V253-V257 HydrophobicContact CG1-CG2 4.41Å; V253-V257 VanDerWaalsContact O-CG2 3.3Å; V253-V257 WeakPolarHBondContact O-CG2 3.46Å; V253-V257 PolarHBondContact O-N 2.92Å; L254-V257 PolarHBondContact O-N 2.91Å; V257-M260 PolarHBondContact O-N 3.23Å; V257-K261 PolarHBondContact O-N 3Å; V257-T270 HydrophobicContact CG1-CG2 4.04Å; V257-L273 HydrophobicContact CG1-CB 4.06Å; V257-I274 HydrophobicContact CG1-CD1 4.31Å; V257-I274 HydrophobicContact CG1-CG1 3.72Å; V257-L277 HydrophobicContact CG2-CD1 4.37Å
258E93.1Very high90.5Very high75 Ų7575.2 Ų75.235%0.3542%0.421SS..Hα-helixtrans-64.9-38.2174.8-74.6-178.7154.800111.8L254 G255 Q256 M260 K261 I274 K278L254-E258 HydrophobicContact CD1-CG 4.07Å; L254-E258 HydrophobicContact CG-CG 4.48Å; L254-E258 WeakPolarHBondContact O-CB 3.22Å; L254-E258 WeakPolarHBondContact O-CG 3.36Å; L254-E258 PolarHBondContact O-N 2.79Å; G255-E258 PolarHBondContact O-N 3.13Å; Q256-E258 VanDerWaalsContact C-N 3.33Å; Q256-E258 PolarHBondContact O-N 2.9Å; E258-M260 VanDerWaalsContact C-N 3.29Å; E258-M260 PolarHBondContact O-N 3.34Å; E258-K261 VanDerWaalsContact O-CB 3.24Å; E258-K261 WeakPolarHBondContact O-CB 3.32Å; E258-K261 PolarHBondContact O-N 2.91Å; E258-I274 HydrophobicContact CG-CD1 3.89Å; E258-I274 HydrophobicContact CG-CG1 4.05Å; E258-K278 WeakPolarHBondContact OE1-CE 2.97Å; E258-K278 IonicContact OE1-NZ 2.75Å; E258-K278 PolarHBondContact OE1-NZ 2.89Å
259S92.4Very high90.2Very high71 Ų7172.2 Ų72.250%0.49741%0.412SS..Hα-helixtrans-67.1-27.3176.877.80000113.9G255 Q256 K261G255-S259 WeakPolarHBondContact O-CB 3.48Å; G255-S259 PolarHBondContact O-N 3.23Å; Q256-S259 PolarHBondContact O-N 3.14Å; Q256-S259 PolarHBondContact O-OG 3.22Å; S259-K261 VanDerWaalsContact C-N 3.3Å
260M89.2Confident90Very high39 Ų3970.4 Ų70.419%0.19241%0.405CS..Hα-helixtrans-76.9-18.7176.6-68.4167.517300112.3Q256 V257 E258 G262 T263 M265 Q266Q256-M260 HydrophobicContact CG-CE 3.8Å; Q256-M260 WeakPolarHBondContact O-CG 3.29Å; Q256-M260 PolarHBondContact O-N 3.11Å; Q256-M260 VanDerWaalsContact O-N 3.17Å; V257-M260 PolarHBondContact O-N 3.23Å; E258-M260 VanDerWaalsContact C-N 3.29Å; E258-M260 PolarHBondContact O-N 3.34Å; M260-G262 PolarHBondContact O-N 2.93Å; M260-T263 PolarHBondContact O-N 2.88Å; M260-T263 VanDerWaalsContact O-N 3.09Å; M260-T263 PolarHBondContact O-OG1 2.94Å; M260-M265 HydrophobicContact CG-CB 4.3Å; M260-Q266 WeakPolarHBondContact O-CB 3.3Å
261K88.7Confident89.9Confident142 Ų14273.6 Ų73.662%0.61743%0.431SS*.THydrogen-bonded Turntrans-64.5125.2-178.2-170.8-176.7175.4-173.30110.1V257 E258 S259 T263 T270 I274V257-K261 PolarHBondContact O-N 3Å; E258-K261 VanDerWaalsContact O-CB 3.24Å; E258-K261 WeakPolarHBondContact O-CB 3.32Å; E258-K261 PolarHBondContact O-N 2.91Å; S259-K261 VanDerWaalsContact C-N 3.3Å; K261-T263 VanDerWaalsContact C-N 3.33Å; K261-T270 HydrophobicContact CB-CG2 4.25Å; K261-T270 HydrophobicContact CG-CG2 4.39Å; K261-I274 HydrophobicContact CD-CD1 4.43Å
262G87.6Confident89.7Confident72 Ų7271.6 Ų71.674%0.74242%0.42SS*.THydrogen-bonded Turntrans82.75.2-176.900000114.9M260M260-G262 PolarHBondContact O-N 2.93Å
263T88.6Confident89.5Confident63 Ų6367.7 Ų67.739%0.38741%0.409SS..SBendtrans-106167.8174.873.60000110.9M260 K261 M265 Q266M260-T263 PolarHBondContact O-N 2.88Å; M260-T263 VanDerWaalsContact O-N 3.09Å; M260-T263 PolarHBondContact O-OG1 2.94Å; K261-T263 VanDerWaalsContact C-N 3.33Å; T263-M265 PolarHBondContact O-N 3.04Å; T263-M265 VanDerWaalsContact O-N 3.1Å; T263-M265 PolarHBondContact OG1-N 3.37Å; T263-Q266 VanDerWaalsContact O-CB 3.25Å; T263-Q266 WeakPolarHBondContact O-CB 3.41Å; T263-Q266 PolarHBondContact O-N 3.42Å
264D83.1Confident89.5Confident178 Ų17866.4 Ų66.495%0.95240%0.401SS*.THydrogen-bonded Turntrans-62.4-15.6173.7-61.8-26.8000113.1Q266D264-Q266 VanDerWaalsContact C-N 3.31Å
265M80.3Confident89.4Confident94 Ų9466.3 Ų66.346%0.46340%0.4SS..THydrogen-bonded Turntrans-88.45.8175.7-61.3-66.4-70.200112.8E13 M260 T263 L267E13-M265 HydrophobicContact CB-CE 4.38Å; E13-M265 HydrophobicContact CG-CE 4.26Å; M260-M265 HydrophobicContact CG-CB 4.3Å; T263-M265 PolarHBondContact O-N 3.04Å; T263-M265 VanDerWaalsContact O-N 3.1Å; T263-M265 PolarHBondContact OG1-N 3.37Å; M265-L267 PolarHBondContact O-N 2.92Å
266Q85.4Confident89.3Confident100 Ų10065.9 Ų65.947%0.46739%0.39SS..  trans-64119.2-179.1-175178.1-61.600111M260 T263 D264 T270M260-Q266 WeakPolarHBondContact O-CB 3.3Å; T263-Q266 VanDerWaalsContact O-CB 3.25Å; T263-Q266 WeakPolarHBondContact O-CB 3.41Å; T263-Q266 PolarHBondContact O-N 3.42Å; D264-Q266 VanDerWaalsContact C-N 3.31Å; Q266-T270 HydrophobicContact CG-CG2 4.43Å; Q266-T270 WeakPolarHBondContact CG-OG1 3.31Å
267L84.9Confident89.4Confident44 Ų4461 Ų6123%0.2337%0.367CS..  trans-68.8141.1174.2-56.6175.9000110.4M265 T269 T270 L273M265-L267 PolarHBondContact O-N 2.92Å; L267-T269 PolarHBondContact O-N 2.92Å; L267-T270 PolarHBondContact N-OG1 3.01Å; L267-T270 VanDerWaalsContact N-OG1 3.14Å; L267-T270 VanDerWaalsContact O-CB 3.32Å; L267-T270 WeakPolarHBondContact O-CB 3.43Å; L267-T270 PolarHBondContact O-N 3.14Å; L267-T270 PolarHBondContact O-OG1 2.81Å; L267-L273 HydrophobicContact CD1-CD1 3.65Å
268G85.5Confident89.4Confident92 Ų9261.5 Ų61.595%0.94837%0.369SS*.THydrogen-bonded Turntrans-58.1-19.7175.100000113.8
269T87.5Confident89.3Confident76 Ų7658 Ų5847%0.46635%0.352SS..THydrogen-bonded Turntrans-104.712.8178.855.20000113.8L267 A271 R272 L273L267-T269 PolarHBondContact O-N 2.92Å; T269-A271 PolarHBondContact O-N 2.83Å; T269-R272 WeakPolarHBondContact O-CA 3.21Å; T269-R272 WeakPolarHBondContact O-CB 3.28Å; T269-R272 PolarHBondContact O-N 2.82Å; T269-L273 PolarHBondContact O-N 3.13Å
270T90.6Very high89.2Confident6 Ų654.6 Ų54.64%0.03733%0.329CS..Hα-helixtrans-50.3-49.1-174.9-65.10000113.1V257 K261 Q266 L267 R272 L273 I274V257-T270 HydrophobicContact CG1-CG2 4.04Å; K261-T270 HydrophobicContact CB-CG2 4.25Å; K261-T270 HydrophobicContact CG-CG2 4.39Å; Q266-T270 HydrophobicContact CG-CG2 4.43Å; Q266-T270 WeakPolarHBondContact CG-OG1 3.31Å; L267-T270 PolarHBondContact N-OG1 3.01Å; L267-T270 VanDerWaalsContact N-OG1 3.14Å; L267-T270 VanDerWaalsContact O-CB 3.32Å; L267-T270 WeakPolarHBondContact O-CB 3.43Å; L267-T270 PolarHBondContact O-N 3.14Å; L267-T270 PolarHBondContact O-OG1 2.81Å; T270-R272 VanDerWaalsContact C-N 3.28Å; T270-R272 PolarHBondContact O-N 2.67Å; T270-L273 PolarHBondContact O-N 2.82Å; T270-I274 HydrophobicContact CG2-CD1 3.72Å; T270-I274 HydrophobicContact CG2-CG1 4.38Å; T270-I274 WeakPolarHBondContact O-CG1 3.36Å; T270-I274 PolarHBondContact O-N 2.86Å
271A91Very high89.2Confident66 Ų6656.2 Ų56.255%0.54533%0.333SS..Hα-helixtrans-60.4-38.1-179.800000112.8T269 G275T269-A271 PolarHBondContact O-N 2.83Å; A271-G275 PolarHBondContact O-N 3.08Å; A271-G275 VanDerWaalsContact O-N 3.08Å
272R90.9Very high89Confident39 Ų3950.8 Ų50.815%0.14731%0.31CS..Hα-helixtrans-68.7-45.8176.9-171.7-159.1-177.4144.52.8111.1D159 T269 T270 G275 V276 L396D159-R272 IonicContact OD1-NH2 2.78Å; D159-R272 PolarHBondContact OD1-NH2 3.35Å; D159-R272 IonicContact OD2-CZ 2.68Å; D159-R272 IonicContact OD2-NH1 2.76Å; D159-R272 PolarHBondContact OD2-NH1 3.29Å; D159-R272 IonicContact OD2-NH2 2.67Å; D159-R272 PolarHBondContact OD2-NH2 2.8Å; T269-R272 WeakPolarHBondContact O-CA 3.21Å; T269-R272 WeakPolarHBondContact O-CB 3.28Å; T269-R272 PolarHBondContact O-N 2.82Å; T270-R272 VanDerWaalsContact C-N 3.28Å; T270-R272 PolarHBondContact O-N 2.67Å; R272-G275 PolarHBondContact O-N 3.1Å; R272-V276 WeakPolarHBondContact O-CG2 3.32Å; R272-V276 PolarHBondContact O-N 2.9Å; R272-L396 HydrophobicContact CB-CD2 4.25Å
273L92.3Very high88.5Confident61 Ų6148.1 Ų48.132%0.31928%0.277SS..Hα-helixtrans-60.7-49.1179.4-71.3173.4000111.1V257 L267 T269 T270 G275 V276 L277V257-L273 HydrophobicContact CG1-CB 4.06Å; L267-L273 HydrophobicContact CD1-CD1 3.65Å; T269-L273 PolarHBondContact O-N 3.13Å; T270-L273 PolarHBondContact O-N 2.82Å; L273-G275 VanDerWaalsContact C-N 3.33Å; L273-G275 PolarHBondContact O-N 2.66Å; L273-V276 PolarHBondContact O-N 3.3Å; L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 VanDerWaalsContact O-CG 3.23Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 3.13Å
274I93.4Very high87.5Confident15 Ų1546 Ų468%0.07726%0.263CS..Hα-helixtrans-57-47.9175.9-68171.3000110.3L254 V257 E258 K261 T270 V276 L277 K278L254-I274 HydrophobicContact CD1-CB 4.44Å; L254-I274 HydrophobicContact CD1-CG1 4.41Å; L254-I274 HydrophobicContact CD1-CG2 4.15Å; V257-I274 HydrophobicContact CG1-CD1 4.31Å; V257-I274 HydrophobicContact CG1-CG1 3.72Å; E258-I274 HydrophobicContact CG-CD1 3.89Å; E258-I274 HydrophobicContact CG-CG1 4.05Å; K261-I274 HydrophobicContact CD-CD1 4.43Å; T270-I274 HydrophobicContact CG2-CD1 3.72Å; T270-I274 HydrophobicContact CG2-CG1 4.38Å; T270-I274 WeakPolarHBondContact O-CG1 3.36Å; T270-I274 PolarHBondContact O-N 2.86Å; I274-V276 PolarHBondContact O-N 3.37Å; I274-L277 PolarHBondContact O-N 3.02Å; I274-K278 HydrophobicContact CG2-CD 3.84Å; I274-K278 HydrophobicContact CG2-CG 4.35Å; I274-K278 WeakPolarHBondContact O-CB 3.18Å; I274-K278 VanDerWaalsContact O-CG 3.31Å; I274-K278 WeakPolarHBondContact O-CG 3.32Å; I274-K278 PolarHBondContact O-N 3.03Å
275G92.6Very high86.4Confident0 Ų040 Ų400%024%0.238CC..Hα-helixtrans-61.7-45.6-179.400000113.4A271 R272 L273 V279 L396A271-G275 PolarHBondContact O-N 3.08Å; A271-G275 VanDerWaalsContact O-N 3.08Å; R272-G275 PolarHBondContact O-N 3.1Å; L273-G275 VanDerWaalsContact C-N 3.33Å; L273-G275 PolarHBondContact O-N 2.66Å; G275-V279 WeakPolarHBondContact O-CG2 3.41Å; G275-V279 PolarHBondContact O-N 2.86Å; G275-V279 VanDerWaalsContact O-N 3.1Å; G275-L396 WeakPolarHBondContact CA-O 3.18Å
276V92.7Very high85Confident26 Ų2636.1 Ų36.116%0.15822%0.221CC..Hα-helixtrans-65.4-45.7176.7173.30000111.2V156 R272 L273 I274 K278 V279 V280V156-V276 HydrophobicContact CG1-CG1 4.29Å; R272-V276 WeakPolarHBondContact O-CG2 3.32Å; R272-V276 PolarHBondContact O-N 2.9Å; L273-V276 PolarHBondContact O-N 3.3Å; I274-V276 PolarHBondContact O-N 3.37Å; V276-K278 VanDerWaalsContact C-N 3.33Å; V276-K278 PolarHBondContact O-N 2.82Å; V276-V279 PolarHBondContact O-N 3.39Å; V276-V280 HydrophobicContact CG1-CG2 4.48Å; V276-V280 WeakPolarHBondContact O-CG2 3.31Å; V276-V280 PolarHBondContact O-N 2.87Å
277L93.8Very high83.3Confident8 Ų833.8 Ų33.84%0.04222%0.215CC..Hα-helixtrans-63.3-38179.5-72168000111.8L154 V250 V253 L254 V257 L273 I274 V280 R281L154-L277 HydrophobicContact CD1-CD2 4.48Å; L154-L277 HydrophobicContact CD2-CD2 4.07Å; V250-L277 HydrophobicContact CG1-CD2 4.25Å; V253-L277 HydrophobicContact CG1-CD1 3.81Å; V253-L277 HydrophobicContact CG1-CD2 4.25Å; L254-L277 HydrophobicContact CB-CB 4.37Å; L254-L277 HydrophobicContact CB-CD1 4.42Å; L254-L277 HydrophobicContact CD1-CB 4Å; L254-L277 HydrophobicContact CD1-CD1 4.46Å; V257-L277 HydrophobicContact CG2-CD1 4.37Å; L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 VanDerWaalsContact O-CG 3.23Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 3.13Å; I274-L277 PolarHBondContact O-N 3.02Å; L277-V280 CarbonylContact O-C 3.53Å; L277-V280 WeakPolarHBondContact O-CB 3.39Å; L277-V280 PolarHBondContact O-N 2.68Å; L277-R281 WeakPolarHBondContact O-CB 3.23Å; L277-R281 PolarHBondContact O-N 3.22Å
278K93Very high81.6Confident24 Ų2431.9 Ų31.910%0.10421%0.205CC..Hα-helixtrans-66.6-36.6173.8-75.1-178.9173.4-171.90112.8L254 E258 I274 V276 V280 R281 E282 E393 C395L254-K278 HydrophobicContact CD1-CG 4.09Å; L254-K278 HydrophobicContact CD2-CG 3.9Å; E258-K278 WeakPolarHBondContact OE1-CE 2.97Å; E258-K278 IonicContact OE1-NZ 2.75Å; E258-K278 PolarHBondContact OE1-NZ 2.89Å; I274-K278 HydrophobicContact CG2-CD 3.84Å; I274-K278 HydrophobicContact CG2-CG 4.35Å; I274-K278 WeakPolarHBondContact O-CB 3.18Å; I274-K278 VanDerWaalsContact O-CG 3.31Å; I274-K278 WeakPolarHBondContact O-CG 3.32Å; I274-K278 PolarHBondContact O-N 3.03Å; V276-K278 VanDerWaalsContact C-N 3.33Å; V276-K278 PolarHBondContact O-N 2.82Å; K278-V280 VanDerWaalsContact C-N 3.33Å; K278-R281 WeakPolarHBondContact O-CB 3.44Å; K278-R281 PolarHBondContact O-N 2.84Å; K278-E282 WeakPolarHBondContact O-CG 3.38Å; K278-E282 PolarHBondContact O-N 2.99Å; K278-E393 VanDerWaalsContact CD-OE2 3.32Å; K278-E393 WeakPolarHBondContact CD-OE2 3.17Å; K278-E393 WeakPolarHBondContact CE-OE2 3.17Å; K278-E393 IonicContact NZ-OE2 3.59Å; K278-E393 PolarHBondContact NZ-OE2 3.3Å; K278-C395 VanDerWaalsContact CD-SG 3.51Å
279V90.6Very high79.5Confident1 Ų130.5 Ų30.51%0.00619%0.185CC..Hα-helixtrans-66.2-37.3171176.60000111.2G275 V276 E282 A323 H325 R397G275-V279 WeakPolarHBondContact O-CG2 3.41Å; G275-V279 PolarHBondContact O-N 2.86Å; G275-V279 VanDerWaalsContact O-N 3.1Å; V276-V279 PolarHBondContact O-N 3.39Å; V279-E282 PolarHBondContact O-N 3.36Å; V279-A323 HydrophobicContact CG1-CB 4.24Å; V279-H325 HydrophobicContact CB-CB 4.48Å; V279-H325 HydrophobicContact CG1-CB 3.92Å; V279-R397 HydrophobicContact CG2-CB 3.73Å; V279-R397 HydrophobicContact CG2-CG 3.65Å
280V91.1Very high77.1Confident1 Ų132.8 Ų32.81%0.00619%0.188CC..Hα-helixtrans-66.9-37.8173.4172.40000111.2L154 V156 H245 M247 V250 V276 L277 K278 E282 Y283 H325L154-V280 HydrophobicContact CD1-CG1 4Å; L154-V280 HydrophobicContact CD1-CG2 4.36Å; V156-V280 HydrophobicContact CG1-CG2 4.14Å; H245-V280 HydrophobicContact CB-CG1 4.41Å; H245-V280 VanDerWaalsContact CE1-CG1 3.46Å; H245-V280 WeakPolarHBondContact CE1-CG1 3.36Å; H245-V280 WeakPolarHBondContact ND1-CG1 3.17Å; M247-V280 HydrophobicContact CE-CG1 4.45Å; V250-V280 HydrophobicContact CG1-CG1 4.06Å; V250-V280 HydrophobicContact CG2-CG1 3.91Å; V276-V280 HydrophobicContact CG1-CG2 4.48Å; V276-V280 WeakPolarHBondContact O-CG2 3.31Å; V276-V280 PolarHBondContact O-N 2.87Å; L277-V280 CarbonylContact O-C 3.53Å; L277-V280 WeakPolarHBondContact O-CB 3.39Å; L277-V280 PolarHBondContact O-N 2.68Å; K278-V280 VanDerWaalsContact C-N 3.33Å; V280-E282 VanDerWaalsContact C-N 3.26Å; V280-E282 PolarHBondContact O-N 2.85Å; V280-Y283 WeakPolarHBondContact O-CA 3.46Å; V280-Y283 WeakPolarHBondContact O-CB 3.22Å; V280-Y283 PolarHBondContact O-N 2.88Å; V280-H325 HydrophobicContact CG2-CB 4.26Å
281R89.7Confident74.7Confident73 Ų7332.6 Ų32.628%0.27519%0.187SC..Hα-helixtrans-61.9-32.1176.5176.6176.476-179.86113E251 L277 K278 Y283 E393E251-R281 WeakPolarHBondContact OE1-CD 3.47Å; E251-R281 WeakPolarHBondContact OE1-CG 3.44Å; L277-R281 WeakPolarHBondContact O-CB 3.23Å; L277-R281 PolarHBondContact O-N 3.22Å; K278-R281 WeakPolarHBondContact O-CB 3.44Å; K278-R281 PolarHBondContact O-N 2.84Å; R281-Y283 PolarHBondContact O-N 3.44Å; R281-Y283 VanDerWaalsContact O-N 3.11Å; R281-E393 IonicContact NH2-OE1 2.65Å
282E84.4Confident72.7Confident28 Ų2831.1 Ų31.113%0.13117%0.168CC..THydrogen-bonded Turntrans-65-10.4173.2-67170.2174.800112.9K278 V279 V280 I284 S322 A323 P388 T389 S390 R397K278-E282 WeakPolarHBondContact O-CG 3.38Å; K278-E282 PolarHBondContact O-N 2.99Å; V279-E282 PolarHBondContact O-N 3.36Å; V280-E282 VanDerWaalsContact C-N 3.26Å; V280-E282 PolarHBondContact O-N 2.85Å; E282-I284 PolarHBondContact O-N 3.43Å; E282-S322 WeakPolarHBondContact O-CB 3.49Å; E282-A323 WeakPolarHBondContact OE2-CB 3.38Å; E282-P388 WeakPolarHBondContact OE1-CB 3.11Å; E282-P388 WeakPolarHBondContact OE2-CB 2.97Å; E282-T389 PolarHBondContact OE1-N 3.17Å; E282-T389 VanDerWaalsContact OE1-N 3.16Å; E282-T389 PolarHBondContact OE1-OG1 3.13Å; E282-S390 WeakPolarHBondContact OE1-CB 3.34Å; E282-S390 PolarHBondContact OE1-N 2.97Å; E282-S390 PolarHBondContact OE1-OG 3.24Å; E282-S390 PolarHBondContact OE2-OG 3.48Å; E282-R397 IonicContact OE2-NH2 2.86Å
283Y76.4Confident70.8Confident15 Ų1530 Ų306%0.05917%0.165CC..  trans-57.9128.6-175.2178.3-112.5000113H245 M247 V280 R281 A285 K332H245-Y283 HydrophobicContact CB-CD1 4.39Å; H245-Y283 AromaticContact CD2-CD1 3.82Å; H245-Y283 AromaticContact CD2-CG 3.9Å; M247-Y283 HydrophobicContact CE-CD1 3.88Å; M247-Y283 HydrophobicContact SD-CD1 4.46Å; V280-Y283 WeakPolarHBondContact O-CA 3.46Å; V280-Y283 WeakPolarHBondContact O-CB 3.22Å; V280-Y283 PolarHBondContact O-N 2.88Å; R281-Y283 PolarHBondContact O-N 3.44Å; R281-Y283 VanDerWaalsContact O-N 3.11Å; Y283-A285 HydrophobicContact CD1-CB 4.4Å; Y283-A285 HydrophobicContact CE1-CB 4.3Å; Y283-A285 PolarHBondContact O-N 3.3Å; Y283-K332 HydrophobicContact CD2-CD 4.13Å; Y283-K332 HydrophobicContact CE2-CD 4.07Å
284I68.9Low68.8Low19 Ų1928.2 Ų28.210%0.09716%0.155CC..  trans-80.8107169.3-64.4153.3000108.5E282 S286 R320 V321E282-I284 PolarHBondContact O-N 3.43Å; I284-S286 PolarHBondContact O-N 2.67Å; I284-R320 VanDerWaalsContact CD1-C 3.46Å; I284-R320 HydrophobicContact CD1-CB 3.5Å; I284-R320 VanDerWaalsContact CD1-CB 3.5Å; I284-R320 HydrophobicContact CG1-CB 4.01Å; I284-R320 HydrophobicContact CG2-CB 4.26Å; I284-V321 VanDerWaalsContact CD1-CA 3.49Å; I284-V321 VanDerWaalsContact CD1-N 3.26Å
285A59.3Low66.6Low51 Ų5129.6 Ų29.642%0.42116%0.161SC..  trans-66.610.817800000115Y283 S287Y283-A285 HydrophobicContact CD1-CB 4.4Å; Y283-A285 HydrophobicContact CE1-CB 4.3Å; Y283-A285 PolarHBondContact O-N 3.3Å; A285-S287 PolarHBondContact O-N 3.3Å
286S51.9Low64.3Low14 Ų1430.3 Ų30.310%0.09817%0.166CC..SBendtrans-63.9129.1171.579.50000108.8I284 Y288I284-S286 PolarHBondContact O-N 2.67Å; S286-Y288 PolarHBondContact O-N 3.11Å
287S48.3Very low61.9Low51 Ų5130.1 Ų30.136%0.35717%0.165SC..  trans-31.2132.3171.854.50000110.3A285 A289 K290 A291A285-S287 PolarHBondContact O-N 3.3Å; S287-A289 PolarHBondContact O-N 3.14Å; S287-K290 PolarHBondContact O-N 3.11Å; S287-A291 PolarHBondContact O-N 3.32Å
288Y50.1Low59.2Low3 Ų332 Ų321%0.01218%0.175CC..THydrogen-bonded Turntrans-52.4-20.3-179.1-165.1-122.3000112.3E129 R133 L193 I239 S241 S286 K290 A291E129-Y288 HydrophobicContact CG-CE2 4.15Å; E129-Y288 WeakPolarHBondContact OE1-CE2 3.49Å; R133-Y288 VanDerWaalsContact NE-CD2 3.29Å; L193-Y288 VanDerWaalsContact CD1-C 3.44Å; L193-Y288 HydrophobicContact CD1-CD1 3.22Å; L193-Y288 HydrophobicContact CD1-CE1 3.88Å; L193-Y288 HydrophobicContact CD1-CG 3.9Å; L193-Y288 VanDerWaalsContact CD1-O 3.28Å; L193-Y288 WeakPolarHBondContact CD1-O 3.28Å; L193-Y288 HydrophobicContact CD2-CD1 4.4Å; L193-Y288 HydrophobicContact CD2-CE1 4.35Å; L193-Y288 HydrophobicContact CG-CD1 4.4Å; I239-Y288 HydrophobicContact CD1-CD1 3.92Å; I239-Y288 HydrophobicContact CD1-CE1 3.79Å; S241-Y288 WeakPolarHBondContact O-CB 3.19Å; S241-Y288 PolarHBondContact O-N 3.03Å; S286-Y288 PolarHBondContact O-N 3.11Å; Y288-K290 PolarHBondContact O-N 3.43Å; Y288-K290 VanDerWaalsContact O-N 3.15Å; Y288-A291 HydrophobicContact CD2-CB 4.5Å; Y288-A291 PolarHBondContact O-N 3.01Å
289A40.7Very low57Low63 Ų6331 Ų3152%0.52117%0.171SC..THydrogen-bonded Turntrans-49.4-30166.300000114.9S287S287-A289 PolarHBondContact O-N 3.14Å
290K37.1Very low54.8Low125 Ų12537.1 Ų37.154%0.54320%0.195SC..THydrogen-bonded Turntrans-103.1-42176-62.6-174.6-178.8-177.40111.1S287 Y288 K292 D334S287-K290 PolarHBondContact O-N 3.11Å; Y288-K290 PolarHBondContact O-N 3.43Å; Y288-K290 VanDerWaalsContact O-N 3.15Å; K290-K292 WeakPolarHBondContact O-CG 3.21Å; K290-K292 PolarHBondContact O-N 3Å; K290-D334 HydrophobicContact CB-CB 3.9Å; K290-D334 WeakPolarHBondContact O-CA 3.45Å
291A40.4Very low52.7Low2 Ų247 Ų472%0.01723%0.233CC..  trans-70.495.2-177.400000112.5S287 Y288 T333S287-A291 PolarHBondContact O-N 3.32Å; Y288-A291 HydrophobicContact CD2-CB 4.5Å; Y288-A291 PolarHBondContact O-N 3.01Å; A291-T333 CarbonylContact C-O 3.58Å; A291-T333 WeakPolarHBondContact CA-O 3.37Å
292K49.8Very low50.9Low34 Ų3448.1 Ų48.115%0.14824%0.238CC..EExtended strand (participates in β ladder)trans-83.9129.9174.5-52.5-160.9-171.8-172.80110F191 K290 F294 K332 T333 N337F191-K292 HydrophobicContact CE1-CB 4.41Å; F191-K292 HydrophobicContact CZ-CB 4.2Å; K290-K292 WeakPolarHBondContact O-CG 3.21Å; K290-K292 PolarHBondContact O-N 3Å; K292-F294 PolarHBondContact O-N 3.13Å; K292-K332 WeakPolarHBondContact O-CA 3.38Å; K292-T333 PolarHBondContact N-O 2.89Å; K292-T333 PolarHBondContact O-N 3.29Å; K292-N337 WeakPolarHBondContact CD-OD1 3.44Å; K292-N337 PolarHBondContact NZ-ND2 2.76Å; K292-N337 PolarHBondContact NZ-OD1 3.37Å
293F50.4Low49.8Very low15 Ų1547.2 Ų47.27%0.06624%0.235CC..EExtended strand (participates in β ladder)trans-81.5111.3170.7-153.3-90.5000107.4C126 E129 S324 C327 A330 V331 K332C126-F293 HydrophobicContact CB-CB 3.74Å; C126-F293 HydrophobicContact CB-CD1 3.35Å; C126-F293 HydrophobicContact CB-CD2 4.06Å; C126-F293 HydrophobicContact CB-CE1 3.7Å; C126-F293 HydrophobicContact CB-CE2 4.38Å; C126-F293 HydrophobicContact CB-CG 3.48Å; C126-F293 VanDerWaalsContact CB-CG 3.48Å; C126-F293 HydrophobicContact CB-CZ 4.19Å; E129-F293 WeakPolarHBondContact OE2-CD2 3.36Å; E129-F293 WeakPolarHBondContact OE2-CE2 3.33Å; F293-S324 WeakPolarHBondContact CE2-OG 3.43Å; F293-C327 HydrophobicContact CZ-CB 4.04Å; F293-A330 HydrophobicContact CD1-CB 3.92Å; F293-A330 HydrophobicContact CD2-CB 4.39Å; F293-A330 HydrophobicContact CE1-CB 3.13Å; F293-A330 HydrophobicContact CE2-CB 3.67Å; F293-A330 HydrophobicContact CZ-CB 3.01Å; F293-V331 WeakPolarHBondContact CA-O 3.43Å; F293-K332 HydrophobicContact CD2-CG 4.23Å
294F49.9Very low49.6Very low25 Ų2552.1 Ų52.111%0.1126%0.261CS..EExtended strand (participates in β ladder)trans-108.2115.9173.3-161.7-117.7000108.8K292 V296 V331 I340 W341 M344K292-F294 PolarHBondContact O-N 3.13Å; F294-V296 HydrophobicContact CD1-CG2 3.82Å; F294-V296 HydrophobicContact CE1-CB 4.33Å; F294-V296 HydrophobicContact CE1-CG2 3.58Å; F294-V331 PolarHBondContact N-O 3.47Å; F294-V331 PolarHBondContact O-N 2.87Å; F294-I340 HydrophobicContact CB-CG2 4.25Å; F294-I340 HydrophobicContact CD1-CG2 3.56Å; F294-I340 HydrophobicContact CD2-CG2 3.2Å; F294-I340 HydrophobicContact CE1-CG2 3.49Å; F294-I340 VanDerWaalsContact CE1-CG2 3.49Å; F294-I340 HydrophobicContact CE2-CG2 3.15Å; F294-I340 HydrophobicContact CG-CG2 3.4Å; F294-I340 HydrophobicContact CZ-CG2 3.3Å; F294-W341 HydrophobicContact CE2-CH2 4.36Å; F294-W341 HydrophobicContact CE2-CZ3 4.48Å; F294-W341 HydrophobicContact CZ-CZ3 4.34Å; F294-M344 HydrophobicContact CE1-CE 4.16Å; F294-M344 HydrophobicContact CE1-CG 3.91Å; F294-M344 HydrophobicContact CE1-SD 3.62Å; F294-M344 HydrophobicContact CZ-CE 4.09Å; F294-M344 HydrophobicContact CZ-CG 3.69Å; F294-M344 HydrophobicContact CZ-SD 3.91Å
295M48.1Very low50.2Low43 Ų4351.5 Ų51.521%0.21226%0.258CS..  trans-101.3114.1152.5-99.8-174.885.400107K125 S297 S329K125-M295 HydrophobicContact CB-CB 4.03Å; K125-M295 HydrophobicContact CB-CG 4.31Å; K125-M295 HydrophobicContact CB-SD 3.68Å; K125-M295 HydrophobicContact CD-CB 3.7Å; K125-M295 HydrophobicContact CD-SD 4.15Å; K125-M295 HydrophobicContact CG-CB 4.37Å; K125-M295 HydrophobicContact CG-SD 3.98Å; M295-S297 VanDerWaalsContact C-N 3.33Å; M295-S297 PolarHBondContact O-N 3.4Å; M295-S329 WeakPolarHBondContact CE-OG 3.01Å; M295-S329 PolarHBondContact SD-OG 2.92Å
296V44.8Very low51.4Low16 Ų1652.7 Ų52.710%0.09726%0.26CS..  trans-54101.9158.2175.20000106.2F294 Y300 I305 V310 M344F294-V296 HydrophobicContact CD1-CG2 3.82Å; F294-V296 HydrophobicContact CE1-CB 4.33Å; F294-V296 HydrophobicContact CE1-CG2 3.58Å; V296-Y300 HydrophobicContact CB-CE2 4.34Å; V296-Y300 HydrophobicContact CG1-CD2 3.98Å; V296-Y300 HydrophobicContact CG1-CE2 4.04Å; V296-Y300 WeakPolarHBondContact O-CD2 3.45Å; V296-Y300 WeakPolarHBondContact O-CE2 3.16Å; V296-I305 HydrophobicContact CB-CG2 3.94Å; V296-I305 HydrophobicContact CG1-CG2 3.31Å; V296-I305 HydrophobicContact CG2-CG2 3.55Å; V296-V310 HydrophobicContact CG2-CG2 3.78Å; V296-M344 HydrophobicContact CB-CE 4.13Å; V296-M344 HydrophobicContact CB-SD 4.46Å; V296-M344 HydrophobicContact CG1-CE 3.49Å; V296-M344 VanDerWaalsContact CG1-CE 3.49Å; V296-M344 HydrophobicContact CG1-SD 4.09Å; V296-M344 HydrophobicContact CG2-CE 4.25Å; V296-M344 HydrophobicContact CG2-SD 3.94Å
297S40.6Very low53Low22 Ų2255.5 Ų55.515%0.15428%0.28CS..  trans-148.9-25171.466.80000114.1K125 M295 F299 Y300K125-S297 WeakPolarHBondContact CD-OG 3.48Å; K125-S297 WeakPolarHBondContact CE-OG 3.5Å; K125-S297 PolarHBondContact NZ-OG 2.8Å; M295-S297 VanDerWaalsContact C-N 3.33Å; M295-S297 PolarHBondContact O-N 3.4Å; S297-F299 PolarHBondContact O-N 2.87Å; S297-F299 VanDerWaalsContact O-N 3.11Å; S297-Y300 PolarHBondContact O-N 3.39Å
298L37Very low55Low48 Ų4855.3 Ų55.325%0.25128%0.276SS..THydrogen-bonded Turntrans-59.7-21.4169.9-81.2144.7000111.9S187 C188 W341S187-L298 WeakPolarHBondContact O-CD2 3.21Å; C188-L298 HydrophobicContact CB-CD1 4.11Å; C188-L298 WeakPolarHBondContact O-CD1 3.27Å; L298-W341 HydrophobicContact CB-CH2 4.49Å; L298-W341 HydrophobicContact CD1-CH2 3.84Å
299F47.3Very low56.9Low3 Ų355.6 Ų55.61%0.01328%0.279CS..THydrogen-bonded Turntrans-103.9-1.4170.9-73.7-89.7000114.7S297 Y301 Y302 C303 W341 M344 A366 I369 L370S297-F299 PolarHBondContact O-N 2.87Å; S297-F299 VanDerWaalsContact O-N 3.11Å; F299-Y301 PolarHBondContact O-N 3.11Å; F299-Y302 CarbonylContact O-C 3.58Å; F299-Y302 PolarHBondContact O-N 3.44Å; F299-C303 CarbonylContact C-O 3.52Å; F299-C303 CarbonylContact O-C 3.55Å; F299-C303 PolarHBondContact O-N 3.37Å; F299-W341 HydrophobicContact CD2-CZ3 4.26Å; F299-W341 HydrophobicContact CE2-CE3 4.29Å; F299-W341 AromaticContact CE2-CZ3 3.87Å; F299-W341 HydrophobicContact CE2-CZ3 3.87Å; F299-M344 HydrophobicContact CB-CE 3.54Å; F299-M344 HydrophobicContact CD2-CB 4.16Å; F299-M344 HydrophobicContact CD2-CE 3.35Å; F299-M344 HydrophobicContact CE2-CB 4.1Å; F299-M344 HydrophobicContact CE2-CE 4.34Å; F299-M344 HydrophobicContact CG-CE 3.72Å; F299-A366 HydrophobicContact CE1-CB 4.24Å; F299-A366 HydrophobicContact CZ-CB 4.32Å; F299-I369 HydrophobicContact CE2-CG2 4.33Å; F299-I369 HydrophobicContact CZ-CG2 4.31Å; F299-L370 HydrophobicContact CE1-CD1 3.83Å; F299-L370 HydrophobicContact CE1-CD2 3.71Å; F299-L370 HydrophobicContact CE1-CG 3.75Å; F299-L370 HydrophobicContact CZ-CD1 4.4Å; F299-L370 HydrophobicContact CZ-CD2 3.74Å; F299-L370 HydrophobicContact CZ-CG 3.81Å
300Y45Very low59.3Low128 Ų12852.8 Ų52.850%0.50226%0.256SS..THydrogen-bonded Turntrans-60-23.9173.4-104.7-102.4000112.2V296 S297 Y302V296-Y300 HydrophobicContact CB-CE2 4.34Å; V296-Y300 HydrophobicContact CG1-CD2 3.98Å; V296-Y300 HydrophobicContact CG1-CE2 4.04Å; V296-Y300 WeakPolarHBondContact O-CD2 3.45Å; V296-Y300 WeakPolarHBondContact O-CE2 3.16Å; S297-Y300 PolarHBondContact O-N 3.39Å; Y300-Y302 VanDerWaalsContact C-N 3.31Å
301Y46.3Very low61.8Low209 Ų20947.5 Ų47.582%0.8223%0.232SC*.THydrogen-bonded Turntrans-74.6-17.4173.4-121.2-88.3000114.5F299F299-Y301 PolarHBondContact O-N 3.11Å
302Y52.2Low64.4Low96 Ų9647.4 Ų47.438%0.37623%0.231SC..THydrogen-bonded Turntrans-125.3-45-171.4-61.1-67.6000113F299 Y300 L352 L360 A366F299-Y302 CarbonylContact O-C 3.58Å; F299-Y302 PolarHBondContact O-N 3.44Å; Y300-Y302 VanDerWaalsContact C-N 3.31Å; Y302-L352 WeakPolarHBondContact O-CD2 3.35Å; Y302-L360 HydrophobicContact CD1-CD2 3.45Å; Y302-L360 VanDerWaalsContact CD1-CD2 3.45Å; Y302-L360 HydrophobicContact CD2-CD2 4.38Å; Y302-L360 HydrophobicContact CE1-CD2 3.21Å; Y302-L360 HydrophobicContact CE2-CD2 4.19Å; Y302-L360 HydrophobicContact CG-CD2 4.04Å; Y302-A366 HydrophobicContact CD2-CB 3.89Å; Y302-A366 HydrophobicContact CE2-CB 3.75Å
303C60.9Low66.6Low10 Ų1045.8 Ų45.87%0.06822%0.224CC..  trans-144.6119.3-178-164.60000111.8F299 W347 C351 L352F299-C303 CarbonylContact C-O 3.52Å; F299-C303 CarbonylContact O-C 3.55Å; F299-C303 PolarHBondContact O-N 3.37Å; C303-W347 PolarHBondContact SG-NE1 3.38Å; C303-C351 WeakPolarHBondContact SG-CB 3.32Å; C303-L352 HydrophobicContact CB-CD2 4.29Å; C303-L352 HydrophobicContact CB-CG 4.23Å
304I72.3Confident68.6Low117 Ų11745 Ų4560%0.622%0.221SC*.  trans-80.8121.9173.6-58.8172.7000107.6W347I304-W347 PolarHBondContact O-NE1 3.37Å
305I81.9Confident70.7Confident7 Ų745 Ų454%0.03622%0.222CC..  trans-108.8139.4170.5-170.7169.8000109V296 A309 V310 I343 W347 F380V296-I305 HydrophobicContact CB-CG2 3.94Å; V296-I305 HydrophobicContact CG1-CG2 3.31Å; V296-I305 HydrophobicContact CG2-CG2 3.55Å; I305-A309 HydrophobicContact CD1-CB 4.24Å; I305-A309 HydrophobicContact CG1-CB 3.82Å; I305-V310 HydrophobicContact CB-CG2 4.37Å; I305-V310 HydrophobicContact CD1-CG2 3.6Å; I305-V310 HydrophobicContact CG1-CG2 3.8Å; I305-V310 HydrophobicContact CG2-CG2 3.63Å; I305-I343 HydrophobicContact CD1-CG2 4.02Å; I305-W347 HydrophobicContact CB-CD2 4.04Å; I305-W347 HydrophobicContact CB-CG 3.95Å; I305-W347 HydrophobicContact CB-CZ2 4.37Å; I305-W347 HydrophobicContact CD1-CB 3.84Å; I305-W347 HydrophobicContact CD1-CD2 3.62Å; I305-W347 HydrophobicContact CD1-CE3 3.9Å; I305-W347 HydrophobicContact CD1-CG 3.57Å; I305-W347 HydrophobicContact CG1-CD2 3.51Å; I305-W347 HydrophobicContact CG1-CE3 3.94Å; I305-W347 HydrophobicContact CG1-CG 3.77Å; I305-W347 HydrophobicContact CG1-CH2 4.39Å; I305-W347 HydrophobicContact CG1-CZ2 4.02Å; I305-W347 HydrophobicContact CG1-CZ3 4.36Å; I305-F380 HydrophobicContact CD1-CE1 4Å
306T85.2Confident73.1Confident75 Ų7545.2 Ų45.246%0.4622%0.224SC..  trans-75.9150.617867.80000110.4V308 A309 V310T306-V308 PolarHBondContact O-N 2.99Å; T306-A309 PolarHBondContact O-N 3.3Å; T306-A309 WeakPolarHBondContact OG1-CB 3.18Å; T306-A309 PolarHBondContact OG1-N 3.02Å; T306-A309 VanDerWaalsContact OG1-N 3.09Å; T306-V310 PolarHBondContact O-N 3.37Å; T306-V310 VanDerWaalsContact O-N 3.12Å
307S84.3Confident75.4Confident73 Ų7345.5 Ų45.551%0.5123%0.231SC..Hα-helixtrans-58.6-35.2174.2-1770000111.7V310 R311S307-V310 PolarHBondContact O-N 3.31Å; S307-R311 WeakPolarHBondContact O-CB 3.46Å; S307-R311 WeakPolarHBondContact O-CG 3.24Å; S307-R311 PolarHBondContact O-N 3.28Å
308V89.7Confident78Confident48 Ų4851.9 Ų51.929%0.29126%0.263SS..Hα-helixtrans-59.8-52174.81740000110.6T306 V310 R311 S312 E382 C386T306-V308 PolarHBondContact O-N 2.99Å; V308-V310 PolarHBondContact O-N 2.98Å; V308-R311 PolarHBondContact O-N 3.43Å; V308-S312 WeakPolarHBondContact O-CB 3.22Å; V308-S312 PolarHBondContact O-N 3.21Å; V308-S312 PolarHBondContact O-OG 2.87Å; V308-E382 HydrophobicContact CG1-CG 4.16Å; V308-C386 HydrophobicContact CG1-CB 4.39Å
309A91.7Very high80.5Confident8 Ų852.5 Ų52.57%0.06626%0.262CS..Hα-helixtrans-60.6-42.6-179.800000112.5I305 T306 A313 W347 F380I305-A309 HydrophobicContact CD1-CB 4.24Å; I305-A309 HydrophobicContact CG1-CB 3.82Å; T306-A309 PolarHBondContact O-N 3.3Å; T306-A309 WeakPolarHBondContact OG1-CB 3.18Å; T306-A309 PolarHBondContact OG1-N 3.02Å; T306-A309 VanDerWaalsContact OG1-N 3.09Å; A309-A313 VanDerWaalsContact O-CB 3.3Å; A309-A313 WeakPolarHBondContact O-CB 3.17Å; A309-A313 PolarHBondContact O-N 3.42Å; A309-W347 HydrophobicContact CB-CE3 4.13Å; A309-W347 HydrophobicContact CB-CH2 3.76Å; A309-W347 HydrophobicContact CB-CZ3 3.49Å; A309-W347 VanDerWaalsContact CB-CZ3 3.49Å; A309-F380 HydrophobicContact CB-CD1 4.15Å
310V89.7Confident82.5Confident5 Ų557.8 Ų57.83%0.0328%0.282CS..Hα-helixtrans-60.8-49.2175.4176.20000110.9V296 I305 T306 S307 V308 A313 I314V296-V310 HydrophobicContact CG2-CG2 3.78Å; I305-V310 HydrophobicContact CB-CG2 4.37Å; I305-V310 HydrophobicContact CD1-CG2 3.6Å; I305-V310 HydrophobicContact CG1-CG2 3.8Å; I305-V310 HydrophobicContact CG2-CG2 3.63Å; T306-V310 PolarHBondContact O-N 3.37Å; T306-V310 VanDerWaalsContact O-N 3.12Å; S307-V310 PolarHBondContact O-N 3.31Å; V308-V310 PolarHBondContact O-N 2.98Å; V310-A313 PolarHBondContact O-N 3.38Å; V310-I314 HydrophobicContact CG1-CD1 3.72Å; V310-I314 VanDerWaalsContact O-CG1 3.24Å; V310-I314 WeakPolarHBondContact O-CG1 3.32Å; V310-I314 PolarHBondContact O-N 2.96Å
311R91.3Very high84.6Confident13 Ų1352.5 Ų52.55%0.04926%0.263CS..Hα-helixtrans-66.3-42.9-176.8-71.4174.162.280.26.7111.3S307 V308 I314 L315 V321 C386S307-R311 WeakPolarHBondContact O-CB 3.46Å; S307-R311 WeakPolarHBondContact O-CG 3.24Å; S307-R311 PolarHBondContact O-N 3.28Å; V308-R311 PolarHBondContact O-N 3.43Å; R311-I314 PolarHBondContact O-N 2.96Å; R311-L315 WeakPolarHBondContact O-CB 3.3Å; R311-L315 WeakPolarHBondContact O-CD1 3.02Å; R311-L315 VanDerWaalsContact O-CG 3.28Å; R311-L315 WeakPolarHBondContact O-CG 3.4Å; R311-L315 PolarHBondContact O-N 3.12Å; R311-V321 HydrophobicContact CB-CG1 4.17Å; R311-V321 HydrophobicContact CB-CG2 4.47Å; R311-V321 HydrophobicContact CG-CG1 4.26Å; R311-V321 HydrophobicContact CG-CG2 3.9Å; R311-C386 HydrophobicContact CB-CB 4.35Å; R311-C386 VanDerWaalsContact CD-O 3.31Å; R311-C386 WeakPolarHBondContact CD-O 3.39Å; R311-C386 PolarHBondContact NE-O 3.23Å
312S94.9Very high86.5Confident0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-58.9-47.7174.1-64.30000111.5V308 I314 L315 N316 N381 H383 C386V308-S312 WeakPolarHBondContact O-CB 3.22Å; V308-S312 PolarHBondContact O-N 3.21Å; V308-S312 PolarHBondContact O-OG 2.87Å; S312-I314 VanDerWaalsContact C-N 3.32Å; S312-I314 PolarHBondContact O-N 3.2Å; S312-L315 PolarHBondContact O-N 3.48Å; S312-N316 VanDerWaalsContact O-CB 3.29Å; S312-N316 WeakPolarHBondContact O-CB 2.94Å; S312-N316 PolarHBondContact O-N 3.38Å; S312-N316 PolarHBondContact O-ND2 3.11Å; S312-N316 VanDerWaalsContact O-ND2 3.14Å; S312-N381 WeakPolarHBondContact CB-O 3.3Å; S312-H383 PolarHBondContact OG-N 2.87Å; S312-H383 VanDerWaalsContact OG-N 3.13Å; S312-C386 WeakPolarHBondContact OG-CB 3.49Å
313A94.9Very high88.1Confident0 Ų038.4 Ų38.40%021%0.209CC..Hα-helixtrans-61.5-38.5177.600000113.3A309 V310 G317 F339 I343 I378 N379 F380A309-A313 VanDerWaalsContact O-CB 3.3Å; A309-A313 WeakPolarHBondContact O-CB 3.17Å; A309-A313 PolarHBondContact O-N 3.42Å; V310-A313 PolarHBondContact O-N 3.38Å; A313-G317 PolarHBondContact O-N 3.33Å; A313-G317 VanDerWaalsContact O-N 3.14Å; A313-F339 WeakPolarHBondContact O-CZ 3.27Å; A313-I343 HydrophobicContact CB-CD1 3.84Å; A313-I343 HydrophobicContact CB-CG1 3.94Å; A313-I343 HydrophobicContact CB-CG2 4.11Å; A313-I378 HydrophobicContact CB-CG2 3.9Å; A313-N379 VanDerWaalsContact CA-O 3.32Å; A313-N379 WeakPolarHBondContact CA-O 3.38Å; A313-F380 HydrophobicContact CB-CD1 3.86Å; A313-F380 HydrophobicContact CB-CE1 3.83Å
314I92.7Very high89.1Confident0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-65.3-47.9175-67.5167.1000110.9V310 R311 S312 G317 Y319 V321 V331 T333 I340 I343V310-I314 HydrophobicContact CG1-CD1 3.72Å; V310-I314 VanDerWaalsContact O-CG1 3.24Å; V310-I314 WeakPolarHBondContact O-CG1 3.32Å; V310-I314 PolarHBondContact O-N 2.96Å; R311-I314 PolarHBondContact O-N 2.96Å; S312-I314 VanDerWaalsContact C-N 3.32Å; S312-I314 PolarHBondContact O-N 3.2Å; I314-G317 PolarHBondContact O-N 3.09Å; I314-Y319 WeakPolarHBondContact O-CB 3.5Å; I314-Y319 PolarHBondContact O-N 3.35Å; I314-Y319 VanDerWaalsContact O-N 3.11Å; I314-V321 HydrophobicContact CB-CB 4.28Å; I314-V321 HydrophobicContact CB-CG2 4.38Å; I314-V321 HydrophobicContact CD1-CG2 3.82Å; I314-V321 HydrophobicContact CG2-CB 3.76Å; I314-V321 HydrophobicContact CG2-CG2 4.16Å; I314-V331 HydrophobicContact CD1-CG1 3.96Å; I314-T333 HydrophobicContact CD1-CG2 4.11Å; I314-T333 WeakPolarHBondContact CG2-OG1 3.4Å; I314-I340 HydrophobicContact CD1-CD1 4.1Å; I314-I340 HydrophobicContact CG1-CD1 4.22Å; I314-I343 HydrophobicContact CG1-CD1 3.68Å
315L94.2Very high89.8Confident25 Ų2533.2 Ų33.213%0.13118%0.182CC..Hα-helixtrans-66.4-45.9-178.3-72.1161.6000112.2R311 S312 G317 N318 V321 H383 L385 C386R311-L315 WeakPolarHBondContact O-CB 3.3Å; R311-L315 WeakPolarHBondContact O-CD1 3.02Å; R311-L315 VanDerWaalsContact O-CG 3.28Å; R311-L315 WeakPolarHBondContact O-CG 3.4Å; R311-L315 PolarHBondContact O-N 3.12Å; S312-L315 PolarHBondContact O-N 3.48Å; L315-G317 PolarHBondContact O-N 3.2Å; L315-N318 WeakPolarHBondContact O-CA 3.19Å; L315-N318 PolarHBondContact O-N 3.45Å; L315-V321 HydrophobicContact CD1-CG1 3.73Å; L315-V321 HydrophobicContact CD2-CG1 3.85Å; L315-V321 HydrophobicContact CG-CG1 3.59Å; L315-H383 HydrophobicContact CB-CB 4Å; L315-H383 HydrophobicContact CD1-CB 4.18Å; L315-L385 HydrophobicContact CD1-CB 4.08Å; L315-L385 WeakPolarHBondContact CD1-O 3.44Å; L315-C386 HydrophobicContact CD1-CB 4.47Å
316N97.1Very high89.9Confident46 Ų4633.6 Ų33.625%0.24619%0.186CC..Hα-helixtrans-61.9-26.1174.8-68.2-30.1000112.3S312 N318 N379 N381 H383S312-N316 VanDerWaalsContact O-CB 3.29Å; S312-N316 WeakPolarHBondContact O-CB 2.94Å; S312-N316 PolarHBondContact O-N 3.38Å; S312-N316 PolarHBondContact O-ND2 3.11Å; S312-N316 VanDerWaalsContact O-ND2 3.14Å; N316-N318 PolarHBondContact O-N 3.21Å; N316-N379 HydrophobicContact CB-CB 3.98Å; N316-N379 PolarHBondContact ND2-O 3.2Å; N316-N381 PolarHBondContact ND2-O 3.45Å; N316-H383 PolarHBondContact OD1-CD2 3.46Å; N316-H383 VanDerWaalsContact OD1-CD2 3.25Å
317G94.8Very high89.7Confident23 Ų2331 Ų3124%0.23717%0.171CC..THydrogen-bonded Turntrans-76.76.1171.600000114.8A313 I314 L315 Y319A313-G317 PolarHBondContact O-N 3.33Å; A313-G317 VanDerWaalsContact O-N 3.14Å; I314-G317 PolarHBondContact O-N 3.09Å; L315-G317 PolarHBondContact O-N 3.2Å; G317-Y319 WeakPolarHBondContact O-CD2 3.35Å; G317-Y319 VanDerWaalsContact O-CE2 3.27Å; G317-Y319 WeakPolarHBondContact O-CE2 3.33Å; G317-Y319 PolarHBondContact O-N 3.28Å
318N93.8Very high89.6Confident155 Ų15531.7 Ų31.783%0.82917%0.174SC*.THydrogen-bonded Turntrans60.527.6-173.6-60.3-50.6000114.2L315 N316L315-N318 WeakPolarHBondContact O-CA 3.19Å; L315-N318 PolarHBondContact O-N 3.45Å; N316-N318 PolarHBondContact O-N 3.21Å
319Y91.3Very high89Confident62 Ų6232.3 Ų32.324%0.24318%0.18CC..  trans-103.1156.4171.5-61.4-73.8000110.6I314 G317 D334 A335 P336 F339I314-Y319 WeakPolarHBondContact O-CB 3.5Å; I314-Y319 PolarHBondContact O-N 3.35Å; I314-Y319 VanDerWaalsContact O-N 3.11Å; G317-Y319 WeakPolarHBondContact O-CD2 3.35Å; G317-Y319 VanDerWaalsContact O-CE2 3.27Å; G317-Y319 WeakPolarHBondContact O-CE2 3.33Å; G317-Y319 PolarHBondContact O-N 3.28Å; Y319-D334 WeakPolarHBondContact CB-OD1 3.33Å; Y319-A335 VanDerWaalsContact CD1-CA 3.46Å; Y319-A335 HydrophobicContact CD1-CB 3.92Å; Y319-A335 HydrophobicContact CD2-CB 3.81Å; Y319-A335 HydrophobicContact CE1-CB 4.38Å; Y319-A335 HydrophobicContact CE2-CB 4.31Å; Y319-A335 HydrophobicContact CG-CB 3.6Å; Y319-P336 VanDerWaalsContact CE1-CD 3.41Å; Y319-P336 HydrophobicContact CE1-CG 4.49Å; Y319-P336 VanDerWaalsContact CZ-CD 3.44Å; Y319-P336 WeakPolarHBondContact OH-CD 3.43Å; Y319-F339 AromaticContact CD2-CD1 3.77Å; Y319-F339 HydrophobicContact CD2-CD1 3.77Å; Y319-F339 HydrophobicContact CD2-CD2 4.37Å; Y319-F339 AromaticContact CD2-CE1 3.74Å; Y319-F339 HydrophobicContact CD2-CE1 3.74Å; Y319-F339 HydrophobicContact CD2-CE2 4.35Å; Y319-F339 HydrophobicContact CD2-CG 4.1Å; Y319-F339 HydrophobicContact CD2-CZ 4.05Å; Y319-F339 HydrophobicContact CE2-CB 4.2Å; Y319-F339 AromaticContact CE2-CD1 3.73Å; Y319-F339 HydrophobicContact CE2-CD1 3.73Å; Y319-F339 AromaticContact CE2-CD2 3.58Å; Y319-F339 HydrophobicContact CE2-CD2 3.58Å; Y319-F339 AromaticContact CE2-CE1 3.93Å; Y319-F339 HydrophobicContact CE2-CE1 3.93Å; Y319-F339 AromaticContact CE2-CE2 3.81Å; Y319-F339 HydrophobicContact CE2-CE2 3.81Å; Y319-F339 AromaticContact CE2-CG 3.55Å; Y319-F339 HydrophobicContact CE2-CG 3.55Å; Y319-F339 AromaticContact CE2-CZ 3.98Å; Y319-F339 HydrophobicContact CE2-CZ 3.98Å
320R89.3Confident88.4Confident114 Ų11432.1 Ų32.143%0.4318%0.178SC..  trans-87.3148.2176.8-63.4175.4-67.4-178.9-6.8110.1I284 T333 D334I284-R320 VanDerWaalsContact CD1-C 3.46Å; I284-R320 HydrophobicContact CD1-CB 3.5Å; I284-R320 VanDerWaalsContact CD1-CB 3.5Å; I284-R320 HydrophobicContact CG1-CB 4.01Å; I284-R320 HydrophobicContact CG2-CB 4.26Å; R320-T333 WeakPolarHBondContact O-CA 3.17Å; R320-T333 VanDerWaalsContact O-CB 3.22Å; R320-T333 WeakPolarHBondContact O-CB 3.46Å; R320-T333 PolarHBondContact O-OG1 3.48Å; R320-D334 IonicContact CZ-OD2 3.42Å; R320-D334 PolarHBondContact N-OD1 3.23Å; R320-D334 IonicContact NE-OD2 3.3Å; R320-D334 PolarHBondContact NE-OD2 3.07Å; R320-D334 IonicContact NH2-OD2 2.66Å; R320-D334 PolarHBondContact NH2-OD2 3.48Å
321V87.7Confident88Confident17 Ų1732.2 Ų32.210%0.10318%0.179CC..EExtended strand (participates in β ladder)trans-139.5132.9178.275.80000113.4I284 R311 I314 L315 V331 K332I284-V321 VanDerWaalsContact CD1-CA 3.49Å; I284-V321 VanDerWaalsContact CD1-N 3.26Å; R311-V321 HydrophobicContact CB-CG1 4.17Å; R311-V321 HydrophobicContact CB-CG2 4.47Å; R311-V321 HydrophobicContact CG-CG1 4.26Å; R311-V321 HydrophobicContact CG-CG2 3.9Å; I314-V321 HydrophobicContact CB-CB 4.28Å; I314-V321 HydrophobicContact CB-CG2 4.38Å; I314-V321 HydrophobicContact CD1-CG2 3.82Å; I314-V321 HydrophobicContact CG2-CB 3.76Å; I314-V321 HydrophobicContact CG2-CG2 4.16Å; L315-V321 HydrophobicContact CD1-CG1 3.73Å; L315-V321 HydrophobicContact CD2-CG1 3.85Å; L315-V321 HydrophobicContact CG-CG1 3.59Å; V321-V331 HydrophobicContact CG2-CG1 3.11Å; V321-K332 CarbonylContact C-O 3.47Å; V321-K332 WeakPolarHBondContact CA-O 3.33Å
322S86.7Confident87.7Confident1 Ų131.7 Ų31.71%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-133.2160.717577.90000111.9E282 K332E282-S322 WeakPolarHBondContact O-CB 3.49Å; S322-K332 PolarHBondContact N-O 3.16Å; S322-K332 PolarHBondContact O-N 3.41Å
323A85.1Confident87.3Confident7 Ų731.8 Ų31.86%0.05818%0.177CC..EExtended strand (participates in β ladder)trans-75.2175.2166.200000110.9V279 E282V279-A323 HydrophobicContact CG1-CB 4.24Å; E282-A323 WeakPolarHBondContact OE2-CB 3.38Å
324S83.6Confident86.9Confident2 Ų233.4 Ų33.41%0.01419%0.186CC..  trans-130.6122.8171.9-1750000110.6F293 A326 C327 K332 Y398F293-S324 WeakPolarHBondContact CE2-OG 3.43Å; S324-A326 PolarHBondContact O-N 2.78Å; S324-A326 PolarHBondContact OG-N 3.09Å; S324-C327 CarbonylContact O-C 3.12Å; S324-C327 PolarHBondContact O-N 3.32Å; S324-C327 VanDerWaalsContact O-N 3.13Å; S324-C327 VanDerWaalsContact O-O 3.1Å; S324-K332 VanDerWaalsContact OG-CE 3.32Å; S324-K332 WeakPolarHBondContact OG-CE 3.28Å; S324-Y398 PolarHBondContact O-OH 3.05Å
325H86.7Confident86.7Confident16 Ų1633.4 Ų33.47%0.07419%0.186CC..THydrogen-bonded Turntrans-57-23.3173.566.8-97.5000112.6S155 V156 S157 H245 V279 V280S155-H325 PolarHBondContact O-CE1 2.81Å; S155-H325 VanDerWaalsContact O-CE1 3.28Å; S155-H325 PolarHBondContact O-NE2 2.89Å; V156-H325 WeakPolarHBondContact CA-NE2 3.26Å; S157-H325 PolarHBondContact N-NE2 2.76Å; H245-H325 AromaticContact CE1-CE1 3.92Å; H245-H325 AromaticContact NE2-CE1 3.64Å; H245-H325 AromaticContact NE2-ND1 4Å; V279-H325 HydrophobicContact CB-CB 4.48Å; V279-H325 HydrophobicContact CG1-CB 3.92Å; V280-H325 HydrophobicContact CG2-CB 4.26Å
326A83.5Confident86.4Confident15 Ų1534.3 Ų34.312%0.12419%0.193CC..THydrogen-bonded Turntrans-79.4-17.9-177.500000114.1H128 S324H128-A326 HydrophobicContact CB-CB 3.87Å; S324-A326 PolarHBondContact O-N 2.78Å; S324-A326 PolarHBondContact OG-N 3.09Å
327C81.4Confident85.8Confident22 Ų2232.5 Ų32.515%0.14918%0.184CC..  trans-160.1123.9178.7-174.50000111.6F293 S324 S329 A330F293-C327 HydrophobicContact CZ-CB 4.04Å; S324-C327 CarbonylContact O-C 3.12Å; S324-C327 PolarHBondContact O-N 3.32Å; S324-C327 VanDerWaalsContact O-N 3.13Å; S324-C327 VanDerWaalsContact O-O 3.1Å; C327-S329 VanDerWaalsContact C-N 3.29Å; C327-S329 PolarHBondContact O-N 2.96Å; C327-S329 PolarHBondContact SG-OG 2.85Å; C327-A330 HydrophobicContact CB-CB 3.75Å; C327-A330 WeakPolarHBondContact O-CB 3.42Å; C327-A330 PolarHBondContact O-N 2.98Å; C327-A330 VanDerWaalsContact O-N 3.11Å
328P80.8Confident85.5Confident87 Ų8733.4 Ų33.457%0.56518%0.183SC*.THydrogen-bonded Turntrans-58.8-32.8-175.9-23.730.1000115.9Y398P328-Y398 VanDerWaalsContact CA-CZ 3.5Å; P328-Y398 HydrophobicContact CB-CD1 4.37Å; P328-Y398 HydrophobicContact CB-CD2 3.92Å; P328-Y398 HydrophobicContact CB-CE1 4.3Å; P328-Y398 HydrophobicContact CB-CE2 3.86Å; P328-Y398 HydrophobicContact CB-CG 4.19Å; P328-Y398 HydrophobicContact CG-CD1 3.71Å; P328-Y398 HydrophobicContact CG-CD2 3.97Å; P328-Y398 HydrophobicContact CG-CE1 3.98Å; P328-Y398 HydrophobicContact CG-CE2 4.24Å; P328-Y398 HydrophobicContact CG-CG 3.71Å
329S77.6Confident85.4Confident60 Ų6026.3 Ų26.342%0.4215%0.145SC..THydrogen-bonded Turntrans-92.6-0.8-176.950.50000113.2M295 C327M295-S329 WeakPolarHBondContact CE-OG 3.01Å; M295-S329 PolarHBondContact SD-OG 2.92Å; C327-S329 VanDerWaalsContact C-N 3.29Å; C327-S329 PolarHBondContact O-N 2.96Å; C327-S329 PolarHBondContact SG-OG 2.85Å
330A79.5Confident85.3Confident4 Ų423.4 Ų23.43%0.03313%0.134CC..  trans-86.8144.2-176.900000112.9F293 C327F293-A330 HydrophobicContact CD1-CB 3.92Å; F293-A330 HydrophobicContact CD2-CB 4.39Å; F293-A330 HydrophobicContact CE1-CB 3.13Å; F293-A330 HydrophobicContact CE2-CB 3.67Å; F293-A330 HydrophobicContact CZ-CB 3.01Å; C327-A330 HydrophobicContact CB-CB 3.75Å; C327-A330 WeakPolarHBondContact O-CB 3.42Å; C327-A330 PolarHBondContact O-N 2.98Å; C327-A330 VanDerWaalsContact O-N 3.11Å
331V81.3Confident85.3Confident8 Ų818.2 Ų18.25%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-121.2133.8173.8176.80000108.8F293 F294 I314 V321F293-V331 WeakPolarHBondContact CA-O 3.43Å; F294-V331 PolarHBondContact N-O 3.47Å; F294-V331 PolarHBondContact O-N 2.87Å; I314-V331 HydrophobicContact CD1-CG1 3.96Å; V321-V331 HydrophobicContact CG2-CG1 3.11Å
332K84.3Confident85.4Confident2 Ų217.7 Ų17.71%0.00911%0.111CC..EExtended strand (participates in β ladder)trans-102.5135.9167.4-52.2-170.6-172.7-164.20109.1E129 Y283 K292 F293 V321 S322 S324E129-K332 IonicContact OE1-NZ 2.77Å; E129-K332 PolarHBondContact OE1-NZ 2.93Å; E129-K332 WeakPolarHBondContact OE2-CE 3.27Å; E129-K332 IonicContact OE2-NZ 2.75Å; E129-K332 PolarHBondContact OE2-NZ 3.49Å; Y283-K332 HydrophobicContact CD2-CD 4.13Å; Y283-K332 HydrophobicContact CE2-CD 4.07Å; K292-K332 WeakPolarHBondContact O-CA 3.38Å; F293-K332 HydrophobicContact CD2-CG 4.23Å; V321-K332 CarbonylContact C-O 3.47Å; V321-K332 WeakPolarHBondContact CA-O 3.33Å; S322-K332 PolarHBondContact N-O 3.16Å; S322-K332 PolarHBondContact O-N 3.41Å; S324-K332 VanDerWaalsContact OG-CE 3.32Å; S324-K332 WeakPolarHBondContact OG-CE 3.28Å
333T86.5Confident85.7Confident1 Ų117.8 Ų17.81%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-153.8149-179.2178.20000111.9A291 K292 I314 R320 A335 I340A291-T333 CarbonylContact C-O 3.58Å; A291-T333 WeakPolarHBondContact CA-O 3.37Å; K292-T333 PolarHBondContact N-O 2.89Å; K292-T333 PolarHBondContact O-N 3.29Å; I314-T333 HydrophobicContact CD1-CG2 4.11Å; I314-T333 WeakPolarHBondContact CG2-OG1 3.4Å; R320-T333 WeakPolarHBondContact O-CA 3.17Å; R320-T333 VanDerWaalsContact O-CB 3.22Å; R320-T333 WeakPolarHBondContact O-CB 3.46Å; R320-T333 PolarHBondContact O-OG1 3.48Å; T333-A335 HydrophobicContact CG2-CB 4.02Å; T333-A335 WeakPolarHBondContact OG1-CB 3.01Å; T333-A335 PolarHBondContact OG1-N 3.06Å; T333-A335 VanDerWaalsContact OG1-N 3.08Å; T333-I340 HydrophobicContact CG2-CD1 3.76Å; T333-I340 HydrophobicContact CG2-CG1 4.47Å
334D86.9Confident85.7Confident35 Ų3517.7 Ų17.719%0.18711%0.11CC..  trans-82.33.1170.560.2-2.6000114.4K290 Y319 R320K290-D334 HydrophobicContact CB-CB 3.9Å; K290-D334 WeakPolarHBondContact O-CA 3.45Å; Y319-D334 WeakPolarHBondContact CB-OD1 3.33Å; R320-D334 IonicContact CZ-OD2 3.42Å; R320-D334 PolarHBondContact N-OD1 3.23Å; R320-D334 IonicContact NE-OD2 3.3Å; R320-D334 PolarHBondContact NE-OD2 3.07Å; R320-D334 IonicContact NH2-OD2 2.66Å; R320-D334 PolarHBondContact NH2-OD2 3.48Å
335A88.4Confident86Confident0 Ų017.9 Ų17.90%011%0.11CC..  trans-61.7138.8175.100000112.4Y319 T333 F339 I340Y319-A335 VanDerWaalsContact CD1-CA 3.46Å; Y319-A335 HydrophobicContact CD1-CB 3.92Å; Y319-A335 HydrophobicContact CD2-CB 3.81Å; Y319-A335 HydrophobicContact CE1-CB 4.38Å; Y319-A335 HydrophobicContact CE2-CB 4.31Å; Y319-A335 HydrophobicContact CG-CB 3.6Å; T333-A335 HydrophobicContact CG2-CB 4.02Å; T333-A335 WeakPolarHBondContact OG1-CB 3.01Å; T333-A335 PolarHBondContact OG1-N 3.06Å; T333-A335 VanDerWaalsContact OG1-N 3.08Å; A335-F339 HydrophobicContact CB-CB 4.43Å; A335-F339 HydrophobicContact CB-CD1 3.93Å; A335-I340 HydrophobicContact CB-CD1 3.99Å; A335-I340 HydrophobicContact CB-CG1 4.1Å
336P87.9Confident86.2Confident43 Ų4317.7 Ų17.728%0.27911%0.111SC..  trans-66.9160.2174.928.8-33.3000110.8Y319 D338 F339 I340Y319-P336 VanDerWaalsContact CE1-CD 3.41Å; Y319-P336 HydrophobicContact CE1-CG 4.49Å; Y319-P336 VanDerWaalsContact CZ-CD 3.44Å; Y319-P336 WeakPolarHBondContact OH-CD 3.43Å; P336-D338 PolarHBondContact O-N 2.83Å; P336-F339 HydrophobicContact CG-CB 3.85Å; P336-F339 PolarHBondContact O-N 3.33Å; P336-F339 VanDerWaalsContact O-N 3.11Å; P336-I340 WeakPolarHBondContact O-CG1 3.5Å; P336-I340 PolarHBondContact O-N 3.45Å; P336-I340 VanDerWaalsContact O-N 3.14Å
337N84.7Confident86.4Confident9 Ų918.9 Ų18.95%0.04811%0.113CC..Hα-helixtrans-64.3-32.7-178-83.2-21000110.2F191 Y222 K292 F339 I340 W341F191-N337 PolarHBondContact O-ND2 3.25Å; Y222-N337 HydrophobicContact CE1-CB 4.4Å; Y222-N337 HydrophobicContact CE2-CB 3.77Å; Y222-N337 VanDerWaalsContact CZ-CB 3.48Å; Y222-N337 WeakPolarHBondContact OH-CB 3.13Å; K292-N337 WeakPolarHBondContact CD-OD1 3.44Å; K292-N337 PolarHBondContact NZ-ND2 2.76Å; K292-N337 PolarHBondContact NZ-OD1 3.37Å; N337-F339 VanDerWaalsContact C-N 3.35Å; N337-F339 PolarHBondContact O-N 3.24Å; N337-I340 PolarHBondContact O-N 3.37Å; N337-W341 PolarHBondContact O-N 3.16Å
338D89.5Confident86.6Confident41 Ų4117.9 Ų17.922%0.21911%0.106CC..Hα-helixtrans-59-44.7175.5-58.2-79000111.5K221 Y222 P336 W341 N342K221-D338 WeakPolarHBondContact CE-OD1 3.42Å; K221-D338 IonicContact NZ-OD1 3.24Å; K221-D338 PolarHBondContact NZ-OD1 3.4Å; K221-D338 IonicContact NZ-OD2 2.82Å; K221-D338 PolarHBondContact NZ-OD2 2.83Å; Y222-D338 HydrophobicContact CE1-CB 4.47Å; Y222-D338 VanDerWaalsContact CE1-OD1 3.26Å; Y222-D338 WeakPolarHBondContact CE1-OD1 3.46Å; Y222-D338 PolarHBondContact OH-N 3.38Å; Y222-D338 PolarHBondContact OH-OD1 3.19Å; Y222-D338 PolarHBondContact OH-OD2 3.03Å; P336-D338 PolarHBondContact O-N 2.83Å; D338-W341 PolarHBondContact O-N 3.11Å; D338-N342 PolarHBondContact O-N 2.98Å; D338-N342 PolarHBondContact O-OD1 3.44Å
339F91.6Very high86.8Confident6 Ų620.4 Ų20.43%0.02611%0.108CC..Hα-helixtrans-64.8-45.5177.8-171.5-96.8000111.2A313 Y319 A335 P336 N337 W341 N342 I343 N376 I378A313-F339 WeakPolarHBondContact O-CZ 3.27Å; Y319-F339 AromaticContact CD2-CD1 3.77Å; Y319-F339 HydrophobicContact CD2-CD1 3.77Å; Y319-F339 HydrophobicContact CD2-CD2 4.37Å; Y319-F339 AromaticContact CD2-CE1 3.74Å; Y319-F339 HydrophobicContact CD2-CE1 3.74Å; Y319-F339 HydrophobicContact CD2-CE2 4.35Å; Y319-F339 HydrophobicContact CD2-CG 4.1Å; Y319-F339 HydrophobicContact CD2-CZ 4.05Å; Y319-F339 HydrophobicContact CE2-CB 4.2Å; Y319-F339 AromaticContact CE2-CD1 3.73Å; Y319-F339 HydrophobicContact CE2-CD1 3.73Å; Y319-F339 AromaticContact CE2-CD2 3.58Å; Y319-F339 HydrophobicContact CE2-CD2 3.58Å; Y319-F339 AromaticContact CE2-CE1 3.93Å; Y319-F339 HydrophobicContact CE2-CE1 3.93Å; Y319-F339 AromaticContact CE2-CE2 3.81Å; Y319-F339 HydrophobicContact CE2-CE2 3.81Å; Y319-F339 AromaticContact CE2-CG 3.55Å; Y319-F339 HydrophobicContact CE2-CG 3.55Å; Y319-F339 AromaticContact CE2-CZ 3.98Å; Y319-F339 HydrophobicContact CE2-CZ 3.98Å; A335-F339 HydrophobicContact CB-CB 4.43Å; A335-F339 HydrophobicContact CB-CD1 3.93Å; P336-F339 HydrophobicContact CG-CB 3.85Å; P336-F339 PolarHBondContact O-N 3.33Å; P336-F339 VanDerWaalsContact O-N 3.11Å; N337-F339 VanDerWaalsContact C-N 3.35Å; N337-F339 PolarHBondContact O-N 3.24Å; F339-W341 VanDerWaalsContact C-N 3.34Å; F339-W341 PolarHBondContact O-N 3.39Å; F339-N342 WeakPolarHBondContact O-CA 3.44Å; F339-N342 WeakPolarHBondContact O-CB 3.5Å; F339-N342 PolarHBondContact O-N 3.07Å; F339-I343 HydrophobicContact CD1-CD1 3.94Å; F339-I343 HydrophobicContact CD1-CG1 4.22Å; F339-I343 HydrophobicContact CE1-CD1 3.73Å; F339-I343 HydrophobicContact CE1-CG1 4.01Å; F339-I343 WeakPolarHBondContact O-CG1 3.05Å; F339-I343 PolarHBondContact O-N 2.92Å; F339-N376 HydrophobicContact CD2-CB 3.75Å; F339-N376 HydrophobicContact CE2-CB 4.03Å; F339-I378 HydrophobicContact CD2-CD1 4.22Å; F339-I378 HydrophobicContact CE1-CD1 4.43Å; F339-I378 HydrophobicContact CE2-CD1 3.76Å; F339-I378 HydrophobicContact CZ-CD1 3.87Å
340I88.3Confident87.2Confident2 Ų223.3 Ų23.31%0.0112%0.118CC..Hα-helixtrans-60.3-42.1178.4-65.1-67.7000112F294 I314 T333 A335 P336 N337 I343 M344F294-I340 HydrophobicContact CB-CG2 4.25Å; F294-I340 HydrophobicContact CD1-CG2 3.56Å; F294-I340 HydrophobicContact CD2-CG2 3.2Å; F294-I340 HydrophobicContact CE1-CG2 3.49Å; F294-I340 VanDerWaalsContact CE1-CG2 3.49Å; F294-I340 HydrophobicContact CE2-CG2 3.15Å; F294-I340 HydrophobicContact CG-CG2 3.4Å; F294-I340 HydrophobicContact CZ-CG2 3.3Å; I314-I340 HydrophobicContact CD1-CD1 4.1Å; I314-I340 HydrophobicContact CG1-CD1 4.22Å; T333-I340 HydrophobicContact CG2-CD1 3.76Å; T333-I340 HydrophobicContact CG2-CG1 4.47Å; A335-I340 HydrophobicContact CB-CD1 3.99Å; A335-I340 HydrophobicContact CB-CG1 4.1Å; P336-I340 WeakPolarHBondContact O-CG1 3.5Å; P336-I340 PolarHBondContact O-N 3.45Å; P336-I340 VanDerWaalsContact O-N 3.14Å; N337-I340 PolarHBondContact O-N 3.37Å; I340-I343 HydrophobicContact CD1-CD1 4.3Å; I340-I343 WeakPolarHBondContact O-CB 3.47Å; I340-I343 PolarHBondContact O-N 3.36Å; I340-M344 WeakPolarHBondContact O-CG 3.41Å; I340-M344 PolarHBondContact O-N 2.83Å
341W88.3Confident87.3Confident5 Ų526.2 Ų26.22%0.01914%0.137CC..Hα-helixtrans-68.5-34.6173.7-72.2121.3000113C188 S190 Y222 F294 L298 F299 N337 D338 F339 I343 M344 Q345 I369C188-W341 HydrophobicContact CB-CH2 4.11Å; C188-W341 HydrophobicContact CB-CZ2 3.75Å; C188-W341 VanDerWaalsContact O-CZ2 3.32Å; C188-W341 WeakPolarHBondContact O-CZ2 3.5Å; S190-W341 WeakPolarHBondContact OG-CZ2 3.24Å; S190-W341 PolarHBondContact OG-NE1 2.9Å; Y222-W341 AromaticContact CD1-CD1 3.31Å; Y222-W341 HydrophobicContact CD1-CG 4.19Å; Y222-W341 AromaticContact CD1-NE1 3.85Å; Y222-W341 AromaticContact CD2-CD1 3.92Å; Y222-W341 AromaticContact CD2-NE1 3.61Å; Y222-W341 AromaticContact CE1-CD1 3.57Å; Y222-W341 AromaticContact CG-CD1 3.5Å; Y222-W341 VanDerWaalsContact CG-CD1 3.5Å; Y222-W341 HydrophobicContact CG-CG 4.47Å; Y222-W341 AromaticContact CG-NE1 3.51Å; Y222-W341 AromaticContact CZ-CD1 3.97Å; F294-W341 HydrophobicContact CE2-CH2 4.36Å; F294-W341 HydrophobicContact CE2-CZ3 4.48Å; F294-W341 HydrophobicContact CZ-CZ3 4.34Å; L298-W341 HydrophobicContact CB-CH2 4.49Å; L298-W341 HydrophobicContact CD1-CH2 3.84Å; F299-W341 HydrophobicContact CD2-CZ3 4.26Å; F299-W341 HydrophobicContact CE2-CE3 4.29Å; F299-W341 AromaticContact CE2-CZ3 3.87Å; F299-W341 HydrophobicContact CE2-CZ3 3.87Å; N337-W341 PolarHBondContact O-N 3.16Å; D338-W341 PolarHBondContact O-N 3.11Å; F339-W341 VanDerWaalsContact C-N 3.34Å; F339-W341 PolarHBondContact O-N 3.39Å; W341-I343 VanDerWaalsContact C-N 3.32Å; W341-I343 PolarHBondContact O-N 3.5Å; W341-M344 HydrophobicContact CE3-CB 4.28Å; W341-M344 HydrophobicContact CE3-CG 4.17Å; W341-M344 HydrophobicContact CZ3-CG 4.44Å; W341-M344 PolarHBondContact O-N 3.37Å; W341-Q345 VanDerWaalsContact O-CG 3.26Å; W341-Q345 WeakPolarHBondContact O-CG 3.33Å; W341-Q345 PolarHBondContact O-N 3.36Å; W341-I369 HydrophobicContact CB-CG2 4.42Å; W341-I369 HydrophobicContact CD2-CD1 4.24Å; W341-I369 HydrophobicContact CD2-CG2 4.09Å; W341-I369 HydrophobicContact CE3-CD1 3.97Å; W341-I369 HydrophobicContact CE3-CG2 3.7Å; W341-I369 HydrophobicContact CG-CG2 4.41Å; W341-I369 HydrophobicContact CH2-CD1 3.8Å; W341-I369 HydrophobicContact CZ2-CD1 4.04Å; W341-I369 HydrophobicContact CZ3-CD1 3.76Å; W341-I369 HydrophobicContact CZ3-CG2 4.37Å
342N91.8Very high87.1Confident6 Ų626.5 Ų26.53%0.03214%0.139CC..Hα-helixtrans-64.3-35.6173.7-66.7163.4000112D338 F339 M344 Q345 A346 M374 K375 N376 I378D338-N342 PolarHBondContact O-N 2.98Å; D338-N342 PolarHBondContact O-OD1 3.44Å; F339-N342 WeakPolarHBondContact O-CA 3.44Å; F339-N342 WeakPolarHBondContact O-CB 3.5Å; F339-N342 PolarHBondContact O-N 3.07Å; N342-M344 VanDerWaalsContact C-N 3.31Å; N342-M344 PolarHBondContact O-N 3.16Å; N342-Q345 PolarHBondContact ND2-OE1 2.94Å; N342-Q345 PolarHBondContact O-N 3.37Å; N342-A346 VanDerWaalsContact O-CB 3.31Å; N342-A346 WeakPolarHBondContact O-CB 3.38Å; N342-A346 PolarHBondContact O-N 3.48Å; N342-M374 HydrophobicContact CB-CE 4.35Å; N342-M374 HydrophobicContact CB-CG 4.47Å; N342-K375 PolarHBondContact OD1-N 3.39Å; N342-K375 VanDerWaalsContact OD1-N 3.11Å; N342-N376 HydrophobicContact CB-CB 4.46Å; N342-N376 PolarHBondContact OD1-N 3.34Å; N342-N376 VanDerWaalsContact OD1-N 3.16Å; N342-N376 PolarHBondContact OD1-ND2 2.97Å; N342-I378 HydrophobicContact CB-CD1 3.91Å; N342-I378 HydrophobicContact CB-CG1 4.13Å
343I91Very high86.6Confident2 Ų229.7 Ų29.71%0.0116%0.159CC..Hα-helixtrans-55.5-49.3170-64.9175.4000110.3I305 A313 I314 F339 I340 W341 Q345 A346 W347 I378 F380I305-I343 HydrophobicContact CD1-CG2 4.02Å; A313-I343 HydrophobicContact CB-CD1 3.84Å; A313-I343 HydrophobicContact CB-CG1 3.94Å; A313-I343 HydrophobicContact CB-CG2 4.11Å; I314-I343 HydrophobicContact CG1-CD1 3.68Å; F339-I343 HydrophobicContact CD1-CD1 3.94Å; F339-I343 HydrophobicContact CD1-CG1 4.22Å; F339-I343 HydrophobicContact CE1-CD1 3.73Å; F339-I343 HydrophobicContact CE1-CG1 4.01Å; F339-I343 WeakPolarHBondContact O-CG1 3.05Å; F339-I343 PolarHBondContact O-N 2.92Å; I340-I343 HydrophobicContact CD1-CD1 4.3Å; I340-I343 WeakPolarHBondContact O-CB 3.47Å; I340-I343 PolarHBondContact O-N 3.36Å; W341-I343 VanDerWaalsContact C-N 3.32Å; W341-I343 PolarHBondContact O-N 3.5Å; I343-Q345 PolarHBondContact O-N 3.25Å; I343-A346 PolarHBondContact O-N 3.3Å; I343-W347 WeakPolarHBondContact O-CB 3.38Å; I343-W347 PolarHBondContact O-N 3.24Å; I343-I378 HydrophobicContact CG1-CD1 3.89Å; I343-I378 HydrophobicContact CG1-CG2 4.13Å; I343-F380 HydrophobicContact CG2-CE1 3.81Å; I343-F380 HydrophobicContact CG2-CZ 4.1Å; I343-F380 WeakPolarHBondContact O-CZ 3.33Å
344M86.9Confident86Confident6 Ų634.6 Ų34.63%0.0319%0.194CC..Hα-helixtrans-65.4-40.1-178.2-58.9-63.9-81.400112.1F294 V296 F299 I340 W341 N342 A348F294-M344 HydrophobicContact CE1-CE 4.16Å; F294-M344 HydrophobicContact CE1-CG 3.91Å; F294-M344 HydrophobicContact CE1-SD 3.62Å; F294-M344 HydrophobicContact CZ-CE 4.09Å; F294-M344 HydrophobicContact CZ-CG 3.69Å; F294-M344 HydrophobicContact CZ-SD 3.91Å; V296-M344 HydrophobicContact CB-CE 4.13Å; V296-M344 HydrophobicContact CB-SD 4.46Å; V296-M344 HydrophobicContact CG1-CE 3.49Å; V296-M344 VanDerWaalsContact CG1-CE 3.49Å; V296-M344 HydrophobicContact CG1-SD 4.09Å; V296-M344 HydrophobicContact CG2-CE 4.25Å; V296-M344 HydrophobicContact CG2-SD 3.94Å; F299-M344 HydrophobicContact CB-CE 3.54Å; F299-M344 HydrophobicContact CD2-CB 4.16Å; F299-M344 HydrophobicContact CD2-CE 3.35Å; F299-M344 HydrophobicContact CE2-CB 4.1Å; F299-M344 HydrophobicContact CE2-CE 4.34Å; F299-M344 HydrophobicContact CG-CE 3.72Å; I340-M344 WeakPolarHBondContact O-CG 3.41Å; I340-M344 PolarHBondContact O-N 2.83Å; W341-M344 HydrophobicContact CE3-CB 4.28Å; W341-M344 HydrophobicContact CE3-CG 4.17Å; W341-M344 HydrophobicContact CZ3-CG 4.44Å; W341-M344 PolarHBondContact O-N 3.37Å; N342-M344 VanDerWaalsContact C-N 3.31Å; N342-M344 PolarHBondContact O-N 3.16Å; M344-A348 WeakPolarHBondContact O-CB 3.33Å; M344-A348 PolarHBondContact O-N 2.78Å
345Q88.3Confident85.2Confident5 Ų536.3 Ų36.32%0.02321%0.209CC..Hα-helixtrans-63.7-46175.5-70.3164.72.100111.6W341 N342 I343 A348 K349 I369 L370 M374W341-Q345 VanDerWaalsContact O-CG 3.26Å; W341-Q345 WeakPolarHBondContact O-CG 3.33Å; W341-Q345 PolarHBondContact O-N 3.36Å; N342-Q345 PolarHBondContact ND2-OE1 2.94Å; N342-Q345 PolarHBondContact O-N 3.37Å; I343-Q345 PolarHBondContact O-N 3.25Å; Q345-A348 PolarHBondContact O-N 3.08Å; Q345-K349 WeakPolarHBondContact O-CG 3.47Å; Q345-K349 PolarHBondContact O-N 3.1Å; Q345-I369 HydrophobicContact CG-CG2 4.34Å; Q345-I369 PolarHBondContact NE2-O 3.35Å; Q345-L370 HydrophobicContact CB-CD2 4.4Å; Q345-L370 HydrophobicContact CG-CD2 4.12Å; Q345-M374 HydrophobicContact CB-CG 4Å; Q345-M374 HydrophobicContact CB-SD 4.02Å
346A91.3Very high84.4Confident12 Ų1242.2 Ų42.210%0.09923%0.234CC..Hα-helixtrans-62.9-45.2178.700000111.3N342 I343 K349 L350 M374 I378 F380N342-A346 VanDerWaalsContact O-CB 3.31Å; N342-A346 WeakPolarHBondContact O-CB 3.38Å; N342-A346 PolarHBondContact O-N 3.48Å; I343-A346 PolarHBondContact O-N 3.3Å; A346-K349 PolarHBondContact O-N 2.91Å; A346-L350 WeakPolarHBondContact O-CG 3.32Å; A346-L350 PolarHBondContact O-N 2.92Å; A346-M374 HydrophobicContact CB-CE 3.76Å; A346-M374 HydrophobicContact CB-SD 4.36Å; A346-I378 HydrophobicContact CB-CB 3.69Å; A346-I378 HydrophobicContact CB-CG1 3.84Å; A346-I378 HydrophobicContact CB-CG2 4.06Å; A346-F380 HydrophobicContact CB-CE2 3.63Å; A346-F380 HydrophobicContact CB-CZ 3.94Å
347W89Confident83.7Confident41 Ų4142.7 Ų42.716%0.15523%0.234CC..Hα-helixtrans-64.8-41.8177.5-170.3-100.8000112.5C303 I304 I305 A309 I343 K349 L350 C351 F380C303-W347 PolarHBondContact SG-NE1 3.38Å; I304-W347 PolarHBondContact O-NE1 3.37Å; I305-W347 HydrophobicContact CB-CD2 4.04Å; I305-W347 HydrophobicContact CB-CG 3.95Å; I305-W347 HydrophobicContact CB-CZ2 4.37Å; I305-W347 HydrophobicContact CD1-CB 3.84Å; I305-W347 HydrophobicContact CD1-CD2 3.62Å; I305-W347 HydrophobicContact CD1-CE3 3.9Å; I305-W347 HydrophobicContact CD1-CG 3.57Å; I305-W347 HydrophobicContact CG1-CD2 3.51Å; I305-W347 HydrophobicContact CG1-CE3 3.94Å; I305-W347 HydrophobicContact CG1-CG 3.77Å; I305-W347 HydrophobicContact CG1-CH2 4.39Å; I305-W347 HydrophobicContact CG1-CZ2 4.02Å; I305-W347 HydrophobicContact CG1-CZ3 4.36Å; A309-W347 HydrophobicContact CB-CE3 4.13Å; A309-W347 HydrophobicContact CB-CH2 3.76Å; A309-W347 HydrophobicContact CB-CZ3 3.49Å; A309-W347 VanDerWaalsContact CB-CZ3 3.49Å; I343-W347 WeakPolarHBondContact O-CB 3.38Å; I343-W347 PolarHBondContact O-N 3.24Å; W347-K349 VanDerWaalsContact C-N 3.31Å; W347-K349 PolarHBondContact O-N 3.23Å; W347-L350 PolarHBondContact O-N 2.76Å; W347-L350 VanDerWaalsContact O-N 3.16Å; W347-C351 VanDerWaalsContact CE2-SG 3.56Å; W347-C351 PolarHBondContact O-N 3.47Å; W347-F380 HydrophobicContact CB-CE1 4.39Å; W347-F380 HydrophobicContact CB-CE2 4.43Å; W347-F380 HydrophobicContact CB-CZ 3.8Å; W347-F380 AromaticContact CE3-CD1 3.8Å; W347-F380 HydrophobicContact CE3-CD1 3.8Å; W347-F380 HydrophobicContact CE3-CD2 4.25Å; W347-F380 AromaticContact CE3-CE1 3.67Å; W347-F380 HydrophobicContact CE3-CE1 3.67Å; W347-F380 HydrophobicContact CE3-CE2 4.13Å; W347-F380 HydrophobicContact CE3-CG 4.09Å; W347-F380 AromaticContact CE3-CZ 3.84Å; W347-F380 HydrophobicContact CE3-CZ 3.84Å; W347-F380 HydrophobicContact CZ3-CD1 4.08Å; W347-F380 HydrophobicContact CZ3-CE1 4.39Å; W347-F380 HydrophobicContact CZ3-CG 4.25Å
348A84.9Confident83.1Confident1 Ų146.8 Ų46.81%0.00826%0.264CS..Hα-helixtrans-58.4-42.4174.400000111.6M344 Q345 L350 C351 L352 L370M344-A348 WeakPolarHBondContact O-CB 3.33Å; M344-A348 PolarHBondContact O-N 2.78Å; Q345-A348 PolarHBondContact O-N 3.08Å; A348-L350 VanDerWaalsContact C-N 3.31Å; A348-L350 PolarHBondContact O-N 3.23Å; A348-C351 PolarHBondContact O-N 3.49Å; A348-L352 HydrophobicContact CB-CD1 3.82Å; A348-L352 HydrophobicContact CB-CG 4.48Å; A348-L352 WeakPolarHBondContact O-CB 3.38Å; A348-L352 WeakPolarHBondContact O-CG 3.16Å; A348-L352 PolarHBondContact O-N 3.41Å; A348-L370 HydrophobicContact CB-CD1 4.29Å; A348-L370 HydrophobicContact CB-CD2 3.48Å; A348-L370 VanDerWaalsContact CB-CD2 3.48Å
349K84.9Confident82.6Confident139 Ų13953.1 Ų53.160%0.60429%0.289SS*.Hα-helixtrans-63.3-33.6175.9-73.2174.7179.4177.60113.4Q345 A346 W347 M374Q345-K349 WeakPolarHBondContact O-CG 3.47Å; Q345-K349 PolarHBondContact O-N 3.1Å; A346-K349 PolarHBondContact O-N 2.91Å; W347-K349 VanDerWaalsContact C-N 3.31Å; W347-K349 PolarHBondContact O-N 3.23Å; K349-M374 HydrophobicContact CD-SD 4.38Å
350L85.7Confident82Confident122 Ų12253.5 Ų53.564%0.63929%0.292SS*.Hα-helixtrans-75.7-38.5178.8-68.5172.4000112.8A346 W347 A348 F380A346-L350 WeakPolarHBondContact O-CG 3.32Å; A346-L350 PolarHBondContact O-N 2.92Å; W347-L350 PolarHBondContact O-N 2.76Å; W347-L350 VanDerWaalsContact O-N 3.16Å; A348-L350 VanDerWaalsContact C-N 3.31Å; A348-L350 PolarHBondContact O-N 3.23Å; L350-F380 HydrophobicContact CD1-CD2 3.63Å; L350-F380 HydrophobicContact CD1-CE2 3.8Å
351C82.7Confident81.7Confident64 Ų6457.8 Ų57.843%0.43232%0.315SS..Hα-helixtrans-108.7-19.2-167.7-61.90000114.8C303 W347 A348 P353C303-C351 WeakPolarHBondContact SG-CB 3.32Å; W347-C351 VanDerWaalsContact CE2-SG 3.56Å; W347-C351 PolarHBondContact O-N 3.47Å; A348-C351 PolarHBondContact O-N 3.49Å; C351-P353 WeakPolarHBondContact O-CD 3.05Å
352L76.6Confident81.5Confident15 Ų1563.9 Ų63.98%0.07934%0.343CS..SBendtrans-91.5121.6177.9-67.4173.9000110.3Y302 C303 A348 S354 K356 L357 L370Y302-L352 WeakPolarHBondContact O-CD2 3.35Å; C303-L352 HydrophobicContact CB-CD2 4.29Å; C303-L352 HydrophobicContact CB-CG 4.23Å; A348-L352 HydrophobicContact CB-CD1 3.82Å; A348-L352 HydrophobicContact CB-CG 4.48Å; A348-L352 WeakPolarHBondContact O-CB 3.38Å; A348-L352 WeakPolarHBondContact O-CG 3.16Å; A348-L352 PolarHBondContact O-N 3.41Å; L352-S354 PolarHBondContact O-N 3.41Å; L352-K356 HydrophobicContact CD2-CD 4.34Å; L352-L357 HydrophobicContact CB-CD1 3.75Å; L352-L357 HydrophobicContact CB-CG 4.37Å; L352-L357 HydrophobicContact CD1-CG 4.35Å; L352-L370 HydrophobicContact CD1-CD1 4.37Å
353P73.2Confident80.8Confident68 Ų6871.7 Ų71.744%0.44237%0.372SS..  trans-56.4140.9165.2-21.232.1000110C351 S355 K356C351-P353 WeakPolarHBondContact O-CD 3.05Å; P353-S355 PolarHBondContact O-N 2.86Å; P353-K356 PolarHBondContact O-N 2.85Å
354S74.4Confident80.3Confident104 Ų10472.2 Ų72.273%0.72738%0.376SS*.Hα-helixtrans-53.2-29.7178.5-49.80000112.8L352 K356 L357 S358L352-S354 PolarHBondContact O-N 3.41Å; S354-K356 VanDerWaalsContact C-N 3.28Å; S354-K356 PolarHBondContact O-N 3.08Å; S354-L357 PolarHBondContact O-N 2.83Å; S354-S358 PolarHBondContact O-N 2.95Å
355S70.1Confident80Confident72 Ų7273.2 Ų73.250%0.50338%0.383SS..Hα-helixtrans-66-20.717662.70000115P353 S358 K359P353-S355 PolarHBondContact O-N 2.86Å; S355-S358 PolarHBondContact O-OG 2.85Å; S355-K359 WeakPolarHBondContact O-CG 3.28Å
356K72.3Confident79.7Confident123 Ų12373.3 Ų73.354%0.53538%0.384SS..Hα-helixtrans-87.7-36172.6-76.9-169.3179.1179.20111.8L352 P353 S354 S358 K359 L360L352-K356 HydrophobicContact CD2-CD 4.34Å; P353-K356 PolarHBondContact O-N 2.85Å; S354-K356 VanDerWaalsContact C-N 3.28Å; S354-K356 PolarHBondContact O-N 3.08Å; K356-S358 VanDerWaalsContact C-N 3.31Å; K356-S358 PolarHBondContact O-N 3.35Å; K356-K359 PolarHBondContact O-N 3.33Å; K356-K359 VanDerWaalsContact O-N 3.16Å; K356-L360 PolarHBondContact O-N 3.43Å
357L72.3Confident79.3Confident53 Ų5376.3 Ų76.328%0.27739%0.394SS..Hα-helixtrans-60.5-41.5175.9-83.1123.7000111.6L352 S354 K359 L360 L370L352-L357 HydrophobicContact CB-CD1 3.75Å; L352-L357 HydrophobicContact CB-CG 4.37Å; L352-L357 HydrophobicContact CD1-CG 4.35Å; S354-L357 PolarHBondContact O-N 2.83Å; L357-K359 PolarHBondContact O-N 2.9Å; L357-L360 WeakPolarHBondContact O-CB 3.26Å; L357-L360 PolarHBondContact O-N 2.73Å; L357-L370 HydrophobicContact CD2-CD1 3.81Å
358S72.2Confident79.1Confident96 Ų9676.9 Ų76.967%0.67140%0.396SS*.THydrogen-bonded Turntrans-68.1-16177.860.80000114.4S354 S355 K356S354-S358 PolarHBondContact O-N 2.95Å; S355-S358 PolarHBondContact O-OG 2.85Å; K356-S358 VanDerWaalsContact C-N 3.31Å; K356-S358 PolarHBondContact O-N 3.35Å
359K79.3Confident79.2Confident173 Ų17376.9 Ų76.975%0.75240%0.396SS*.THydrogen-bonded Turntrans-93.2-5.3177.2-68.4-179.7-178.2-174.40113.4S355 K356 L357 D361S355-K359 WeakPolarHBondContact O-CG 3.28Å; K356-K359 PolarHBondContact O-N 3.33Å; K356-K359 VanDerWaalsContact O-N 3.16Å; L357-K359 PolarHBondContact O-N 2.9Å; K359-D361 PolarHBondContact O-N 3.46Å
360L78.9Confident79.2Confident14 Ų1471.4 Ų71.47%0.07337%0.373CS..SBendtrans-67.8128.3176.5-68.5175000109.2Y302 K356 L357 E362 Y367 L370Y302-L360 HydrophobicContact CD1-CD2 3.45Å; Y302-L360 VanDerWaalsContact CD1-CD2 3.45Å; Y302-L360 HydrophobicContact CD2-CD2 4.38Å; Y302-L360 HydrophobicContact CE1-CD2 3.21Å; Y302-L360 HydrophobicContact CE2-CD2 4.19Å; Y302-L360 HydrophobicContact CG-CD2 4.04Å; K356-L360 PolarHBondContact O-N 3.43Å; L357-L360 WeakPolarHBondContact O-CB 3.26Å; L357-L360 PolarHBondContact O-N 2.73Å; L360-E362 PolarHBondContact O-N 3.43Å; L360-Y367 HydrophobicContact CB-CD2 4.02Å; L360-L370 HydrophobicContact CD1-CD1 3.68Å
361D82.2Confident79.2Confident93 Ų9369.1 Ų69.150%0.49737%0.367SS..  trans-57.5124.9171.3178.31000109K359 R363 S364 Y367K359-D361 PolarHBondContact O-N 3.46Å; D361-R363 PolarHBondContact O-N 3.18Å; D361-R363 VanDerWaalsContact OD1-CB 3.25Å; D361-R363 WeakPolarHBondContact OD1-CB 3.31Å; D361-R363 VanDerWaalsContact OD1-CG 3.31Å; D361-R363 WeakPolarHBondContact OD1-CG 2.78Å; D361-R363 PolarHBondContact OD1-N 2.72Å; D361-S364 WeakPolarHBondContact O-CA 3.2Å; D361-S364 WeakPolarHBondContact O-CB 3.46Å; D361-S364 PolarHBondContact O-N 3.26Å; D361-S364 PolarHBondContact O-OG 3.4Å; D361-Y367 WeakPolarHBondContact O-CB 3.4Å
362E83Confident79.5Confident132 Ų13269.2 Ų69.262%0.61736%0.363SS*.THydrogen-bonded Turntrans-57.4-22.8178.2-60.1-174.9167.900112.7L360 S364 Y367L360-E362 PolarHBondContact O-N 3.43Å; E362-S364 VanDerWaalsContact C-N 3.32Å; E362-Y367 VanDerWaalsContact CA-CD1 3.5Å; E362-Y367 HydrophobicContact CB-CD1 4.14Å; E362-Y367 HydrophobicContact CB-CE1 4.02Å; E362-Y367 HydrophobicContact CG-CD2 4.5Å; E362-Y367 HydrophobicContact CG-CE1 4.06Å; E362-Y367 HydrophobicContact CG-CE2 4.04Å
363R78.6Confident80.2Confident171 Ų17173.3 Ų73.365%0.64539%0.39SS*.THydrogen-bonded Turntrans-81.1-14.4176.7-54.5177.2-177.3176.12112.8F227 D361F227-R363 HydrophobicContact CD2-CB 3.57Å; F227-R363 HydrophobicContact CD2-CG 3.6Å; F227-R363 HydrophobicContact CE2-CB 3.9Å; F227-R363 HydrophobicContact CE2-CG 3.61Å; D361-R363 PolarHBondContact O-N 3.18Å; D361-R363 VanDerWaalsContact OD1-CB 3.25Å; D361-R363 WeakPolarHBondContact OD1-CB 3.31Å; D361-R363 VanDerWaalsContact OD1-CG 3.31Å; D361-R363 WeakPolarHBondContact OD1-CG 2.78Å; D361-R363 PolarHBondContact OD1-N 2.72Å
364S80.1Confident81.1Confident13 Ų1372.9 Ų72.99%0.09138%0.383CS..SBendtrans-71.6145.5-178.974.30000111.4D361 E362 A366 Y367 R368D361-S364 WeakPolarHBondContact O-CA 3.2Å; D361-S364 WeakPolarHBondContact O-CB 3.46Å; D361-S364 PolarHBondContact O-N 3.26Å; D361-S364 PolarHBondContact O-OG 3.4Å; E362-S364 VanDerWaalsContact C-N 3.32Å; S364-A366 PolarHBondContact O-N 3.17Å; S364-Y367 PolarHBondContact O-N 3.02Å; S364-Y367 VanDerWaalsContact OG-CB 3.32Å; S364-Y367 WeakPolarHBondContact OG-CB 3.19Å; S364-Y367 PolarHBondContact OG-N 2.95Å; S364-R368 PolarHBondContact O-N 3.16Å
365P80.4Confident81.9Confident27 Ų2775.6 Ų75.618%0.17538%0.382CS..Hα-helixtrans-59.9-34.7173-24.836.8000112S187 C223 R368 I369S187-P365 WeakPolarHBondContact OG-CG 3.12Å; C223-P365 HydrophobicContact CB-CB 3.89Å; P365-R368 PolarHBondContact O-N 2.91Å; P365-I369 WeakPolarHBondContact O-CB 2.93Å; P365-I369 WeakPolarHBondContact O-CD1 3.18Å; P365-I369 WeakPolarHBondContact O-CG1 3.41Å; P365-I369 PolarHBondContact O-N 3.4Å
366A80.8Confident82.9Confident6 Ų674.7 Ų74.75%0.0537%0.371CS..Hα-helixtrans-62.1-50.6178.600000111.5F299 Y302 S364 R368 I369 L370F299-A366 HydrophobicContact CE1-CB 4.24Å; F299-A366 HydrophobicContact CZ-CB 4.32Å; Y302-A366 HydrophobicContact CD2-CB 3.89Å; Y302-A366 HydrophobicContact CE2-CB 3.75Å; S364-A366 PolarHBondContact O-N 3.17Å; A366-R368 PolarHBondContact O-N 2.92Å; A366-I369 PolarHBondContact O-N 3.5Å; A366-L370 WeakPolarHBondContact O-CB 3.44Å; A366-L370 VanDerWaalsContact O-CG 3.3Å; A366-L370 WeakPolarHBondContact O-CG 3.46Å; A366-L370 PolarHBondContact O-N 3.02Å
367Y83.5Confident83.9Confident75 Ų7577.8 Ų77.829%0.29439%0.388SS..Hα-helixtrans-54.9-53.2176.4178.6-88.6000110.8L360 D361 E362 S364 I369 L370 S371L360-Y367 HydrophobicContact CB-CD2 4.02Å; D361-Y367 WeakPolarHBondContact O-CB 3.4Å; E362-Y367 VanDerWaalsContact CA-CD1 3.5Å; E362-Y367 HydrophobicContact CB-CD1 4.14Å; E362-Y367 HydrophobicContact CB-CE1 4.02Å; E362-Y367 HydrophobicContact CG-CD2 4.5Å; E362-Y367 HydrophobicContact CG-CE1 4.06Å; E362-Y367 HydrophobicContact CG-CE2 4.04Å; S364-Y367 PolarHBondContact O-N 3.02Å; S364-Y367 VanDerWaalsContact OG-CB 3.32Å; S364-Y367 WeakPolarHBondContact OG-CB 3.19Å; S364-Y367 PolarHBondContact OG-N 2.95Å; Y367-I369 VanDerWaalsContact C-N 3.32Å; Y367-I369 PolarHBondContact O-N 2.81Å; Y367-L370 PolarHBondContact O-N 3.11Å; Y367-L370 VanDerWaalsContact O-N 3.11Å; Y367-S371 WeakPolarHBondContact O-CB 3.19Å; Y367-S371 PolarHBondContact O-N 3.48Å; Y367-S371 PolarHBondContact O-OG 3.46Å
368R85.6Confident85Confident53 Ų5376.3 Ų76.320%0.238%0.38CS..Hα-helixtrans-60.8-41.5-176.7-68177.2175.3-173.8-3.4112.6C223 G225 S364 P365 A366 S371 L372C223-R368 WeakPolarHBondContact O-CD 3.07Å; C223-R368 PolarHBondContact O-NH1 3.33Å; G225-R368 PolarHBondContact O-NH1 3.01Å; S364-R368 PolarHBondContact O-N 3.16Å; P365-R368 PolarHBondContact O-N 2.91Å; A366-R368 PolarHBondContact O-N 2.92Å; R368-S371 PolarHBondContact O-N 3.35Å; R368-L372 WeakPolarHBondContact O-CG 3.28Å; R368-L372 PolarHBondContact O-N 3.49Å
369I85.6Confident86.2Confident1 Ų175 Ų751%0.00537%0.365CS..Hα-helixtrans-65.2-43.9176.7-70.2165.3000110.6C188 Y222 C223 F299 W341 Q345 P365 A366 Y367 S371 L372C188-I369 HydrophobicContact CB-CD1 3.89Å; Y222-I369 WeakPolarHBondContact O-CG1 3.36Å; C223-I369 HydrophobicContact CB-CD1 4.14Å; C223-I369 HydrophobicContact CB-CG1 4.08Å; F299-I369 HydrophobicContact CE2-CG2 4.33Å; F299-I369 HydrophobicContact CZ-CG2 4.31Å; W341-I369 HydrophobicContact CB-CG2 4.42Å; W341-I369 HydrophobicContact CD2-CD1 4.24Å; W341-I369 HydrophobicContact CD2-CG2 4.09Å; W341-I369 HydrophobicContact CE3-CD1 3.97Å; W341-I369 HydrophobicContact CE3-CG2 3.7Å; W341-I369 HydrophobicContact CG-CG2 4.41Å; W341-I369 HydrophobicContact CH2-CD1 3.8Å; W341-I369 HydrophobicContact CZ2-CD1 4.04Å; W341-I369 HydrophobicContact CZ3-CD1 3.76Å; W341-I369 HydrophobicContact CZ3-CG2 4.37Å; Q345-I369 HydrophobicContact CG-CG2 4.34Å; Q345-I369 PolarHBondContact NE2-O 3.35Å; P365-I369 WeakPolarHBondContact O-CB 2.93Å; P365-I369 WeakPolarHBondContact O-CD1 3.18Å; P365-I369 WeakPolarHBondContact O-CG1 3.41Å; P365-I369 PolarHBondContact O-N 3.4Å; A366-I369 PolarHBondContact O-N 3.5Å; Y367-I369 VanDerWaalsContact C-N 3.32Å; Y367-I369 PolarHBondContact O-N 2.81Å; I369-S371 VanDerWaalsContact C-N 3.31Å; I369-S371 PolarHBondContact O-N 3.41Å; I369-L372 PolarHBondContact O-N 2.9Å
370L85.6Confident86.9Confident24 Ų2468.4 Ų68.413%0.12634%0.337CS..Hα-helixtrans-68.3-29.4-179.7-69.7-177.8000113.3F299 Q345 A348 L352 L357 L360 A366 Y367 L372F299-L370 HydrophobicContact CE1-CD1 3.83Å; F299-L370 HydrophobicContact CE1-CD2 3.71Å; F299-L370 HydrophobicContact CE1-CG 3.75Å; F299-L370 HydrophobicContact CZ-CD1 4.4Å; F299-L370 HydrophobicContact CZ-CD2 3.74Å; F299-L370 HydrophobicContact CZ-CG 3.81Å; Q345-L370 HydrophobicContact CB-CD2 4.4Å; Q345-L370 HydrophobicContact CG-CD2 4.12Å; A348-L370 HydrophobicContact CB-CD1 4.29Å; A348-L370 HydrophobicContact CB-CD2 3.48Å; A348-L370 VanDerWaalsContact CB-CD2 3.48Å; L352-L370 HydrophobicContact CD1-CD1 4.37Å; L357-L370 HydrophobicContact CD2-CD1 3.81Å; L360-L370 HydrophobicContact CD1-CD1 3.68Å; A366-L370 WeakPolarHBondContact O-CB 3.44Å; A366-L370 VanDerWaalsContact O-CG 3.3Å; A366-L370 WeakPolarHBondContact O-CG 3.46Å; A366-L370 PolarHBondContact O-N 3.02Å; Y367-L370 PolarHBondContact O-N 3.11Å; Y367-L370 VanDerWaalsContact O-N 3.11Å; L370-L372 VanDerWaalsContact C-N 3.32Å
371S86.5Confident87.7Confident74 Ų7473.4 Ų73.452%0.51736%0.364SS..THydrogen-bonded Turntrans-79-10.6178-57.20000113.9Y367 R368 I369Y367-S371 WeakPolarHBondContact O-CB 3.19Å; Y367-S371 PolarHBondContact O-N 3.48Å; Y367-S371 PolarHBondContact O-OG 3.46Å; R368-S371 PolarHBondContact O-N 3.35Å; I369-S371 VanDerWaalsContact C-N 3.31Å; I369-S371 PolarHBondContact O-N 3.41Å
372L88.8Confident88.4Confident67 Ų6776.2 Ų76.235%0.35137%0.374SS..SBendtrans-73.6144.5175.7-73.6176.3000111.5Y222 R368 I369 L370 M374Y222-L372 WeakPolarHBondContact O-CD1 3.38Å; R368-L372 WeakPolarHBondContact O-CG 3.28Å; R368-L372 PolarHBondContact O-N 3.49Å; I369-L372 PolarHBondContact O-N 2.9Å; L370-L372 VanDerWaalsContact C-N 3.32Å; L372-M374 PolarHBondContact O-N 3.31Å
373P90.8Very high88.9Confident100 Ų10072 Ų7265%0.64935%0.354SS*.PPolyproline II helixtrans-63.7134.2174.726.4-33.7000111
374M91.5Very high89.6Confident60 Ų6069.7 Ų69.730%0.29636%0.361SS..PPolyproline II helixtrans-70.6134.3170.9-77.4176.46300109.9N342 Q345 A346 K349 L372 N376 I378N342-M374 HydrophobicContact CB-CE 4.35Å; N342-M374 HydrophobicContact CB-CG 4.47Å; Q345-M374 HydrophobicContact CB-CG 4Å; Q345-M374 HydrophobicContact CB-SD 4.02Å; A346-M374 HydrophobicContact CB-CE 3.76Å; A346-M374 HydrophobicContact CB-SD 4.36Å; K349-M374 HydrophobicContact CD-SD 4.38Å; L372-M374 PolarHBondContact O-N 3.31Å; M374-N376 WeakPolarHBondContact CE-O 3.17Å; M374-I378 HydrophobicContact CE-CG1 3.89Å
375K91Very high90.1Very high160 Ų16074.7 Ų74.770%0.69639%0.386SS*.  trans-104.6-17.3178.7-63.6-176.5-179.4-177.70113.2N342N342-K375 PolarHBondContact OD1-N 3.39Å; N342-K375 VanDerWaalsContact OD1-N 3.11Å
376N92.2Very high90.5Very high53 Ų5373.7 Ų73.728%0.28338%0.38SS..SBendtrans-124.5139.5-176.8-55.1-86.1000108.8F339 N342 M374 I378F339-N376 HydrophobicContact CD2-CB 3.75Å; F339-N376 HydrophobicContact CE2-CB 4.03Å; N342-N376 HydrophobicContact CB-CB 4.46Å; N342-N376 PolarHBondContact OD1-N 3.34Å; N342-N376 VanDerWaalsContact OD1-N 3.16Å; N342-N376 PolarHBondContact OD1-ND2 2.97Å; M374-N376 WeakPolarHBondContact CE-O 3.17Å; N376-I378 HydrophobicContact CB-CD1 4.34Å
377E93.5Very high90.9Very high189 Ų18977.6 Ų77.688%0.88340%0.397SS*.  trans-73.9136.8166-172175.1-177.800109.3
378I95.5Very high91Very high22 Ų2274.6 Ų74.611%0.11339%0.387CS..  trans-116.8121.6-176.1-55.8-59.3000109.4A313 F339 N342 I343 A346 M374 N376 F380A313-I378 HydrophobicContact CB-CG2 3.9Å; F339-I378 HydrophobicContact CD2-CD1 4.22Å; F339-I378 HydrophobicContact CE1-CD1 4.43Å; F339-I378 HydrophobicContact CE2-CD1 3.76Å; F339-I378 HydrophobicContact CZ-CD1 3.87Å; N342-I378 HydrophobicContact CB-CD1 3.91Å; N342-I378 HydrophobicContact CB-CG1 4.13Å; I343-I378 HydrophobicContact CG1-CD1 3.89Å; I343-I378 HydrophobicContact CG1-CG2 4.13Å; A346-I378 HydrophobicContact CB-CB 3.69Å; A346-I378 HydrophobicContact CB-CG1 3.84Å; A346-I378 HydrophobicContact CB-CG2 4.06Å; M374-I378 HydrophobicContact CE-CG1 3.89Å; N376-I378 HydrophobicContact CB-CD1 4.34Å; I378-F380 HydrophobicContact CB-CE2 4.38Å; I378-F380 HydrophobicContact CG2-CD1 4.39Å; I378-F380 HydrophobicContact CG2-CD2 4.14Å; I378-F380 HydrophobicContact CG2-CE1 3.89Å; I378-F380 HydrophobicContact CG2-CE2 3.62Å; I378-F380 HydrophobicContact CG2-CZ 3.46Å; I378-F380 VanDerWaalsContact CG2-CZ 3.46Å
379N96.2Very high91.1Very high67 Ų6775.5 Ų75.536%0.35840%0.398SS..  trans-106.4115177.9179.5-2000110.6A313 N316 N381A313-N379 VanDerWaalsContact CA-O 3.32Å; A313-N379 WeakPolarHBondContact CA-O 3.38Å; N316-N379 HydrophobicContact CB-CB 3.98Å; N316-N379 PolarHBondContact ND2-O 3.2Å; N379-N381 WeakPolarHBondContact OD1-CB 2.96Å; N379-N381 PolarHBondContact OD1-N 3.49Å; N379-N381 PolarHBondContact OD1-ND2 2.81Å
380F95.2Very high91.2Very high36 Ų3675.4 Ų75.416%0.15840%0.398CS..  trans-93.21.3178.8-67.7-71000114.6I305 A309 A313 I343 A346 W347 L350 I378 E382I305-F380 HydrophobicContact CD1-CE1 4Å; A309-F380 HydrophobicContact CB-CD1 4.15Å; A313-F380 HydrophobicContact CB-CD1 3.86Å; A313-F380 HydrophobicContact CB-CE1 3.83Å; I343-F380 HydrophobicContact CG2-CE1 3.81Å; I343-F380 HydrophobicContact CG2-CZ 4.1Å; I343-F380 WeakPolarHBondContact O-CZ 3.33Å; A346-F380 HydrophobicContact CB-CE2 3.63Å; A346-F380 HydrophobicContact CB-CZ 3.94Å; W347-F380 HydrophobicContact CB-CE1 4.39Å; W347-F380 HydrophobicContact CB-CE2 4.43Å; W347-F380 HydrophobicContact CB-CZ 3.8Å; W347-F380 AromaticContact CE3-CD1 3.8Å; W347-F380 HydrophobicContact CE3-CD1 3.8Å; W347-F380 HydrophobicContact CE3-CD2 4.25Å; W347-F380 AromaticContact CE3-CE1 3.67Å; W347-F380 HydrophobicContact CE3-CE1 3.67Å; W347-F380 HydrophobicContact CE3-CE2 4.13Å; W347-F380 HydrophobicContact CE3-CG 4.09Å; W347-F380 AromaticContact CE3-CZ 3.84Å; W347-F380 HydrophobicContact CE3-CZ 3.84Å; W347-F380 HydrophobicContact CZ3-CD1 4.08Å; W347-F380 HydrophobicContact CZ3-CE1 4.39Å; W347-F380 HydrophobicContact CZ3-CG 4.25Å; L350-F380 HydrophobicContact CD1-CD2 3.63Å; L350-F380 HydrophobicContact CD1-CE2 3.8Å; I378-F380 HydrophobicContact CB-CE2 4.38Å; I378-F380 HydrophobicContact CG2-CD1 4.39Å; I378-F380 HydrophobicContact CG2-CD2 4.14Å; I378-F380 HydrophobicContact CG2-CE1 3.89Å; I378-F380 HydrophobicContact CG2-CE2 3.62Å; I378-F380 HydrophobicContact CG2-CZ 3.46Å; I378-F380 VanDerWaalsContact CG2-CZ 3.46Å; F380-E382 PolarHBondContact O-N 3.41Å
381N95.9Very high91.3Very high119 Ų11979.2 Ų79.264%0.63641%0.414SS*.SBendtrans-54.6135.3176.3-66.8-12.5000109.6S312 N316 N379 H383S312-N381 WeakPolarHBondContact CB-O 3.3Å; N316-N381 PolarHBondContact ND2-O 3.45Å; N379-N381 WeakPolarHBondContact OD1-CB 2.96Å; N379-N381 PolarHBondContact OD1-N 3.49Å; N379-N381 PolarHBondContact OD1-ND2 2.81Å; N381-H383 PolarHBondContact O-N 2.93Å; N381-H383 VanDerWaalsContact O-N 3.08Å
382E95.4Very high91.4Very high152 Ų15279.1 Ų79.171%0.7142%0.417SS*.PPolyproline II helixtrans-59.9116.3-173.9-167.4169.2148.700110.8V308 F380 C386V308-E382 HydrophobicContact CG1-CG 4.16Å; F380-E382 PolarHBondContact O-N 3.41Å; E382-C386 VanDerWaalsContact CG-SG 3.56Å
383H95.1Very high91.4Very high43 Ų4380.4 Ų80.420%0.19942%0.421CS..PPolyproline II helixtrans-84.1137.9-179.6-174-82.6000109.2S312 L315 N316 N381 L385 C386S312-H383 PolarHBondContact OG-N 2.87Å; S312-H383 VanDerWaalsContact OG-N 3.13Å; L315-H383 HydrophobicContact CB-CB 4Å; L315-H383 HydrophobicContact CD1-CB 4.18Å; N316-H383 PolarHBondContact OD1-CD2 3.46Å; N316-H383 VanDerWaalsContact OD1-CD2 3.25Å; N381-H383 PolarHBondContact O-N 2.93Å; N381-H383 VanDerWaalsContact O-N 3.08Å; H383-L385 PolarHBondContact ND1-N 3.42Å; H383-L385 VanDerWaalsContact ND1-N 3.14Å; H383-L385 PolarHBondContact O-N 2.83Å; H383-C386 HydrophobicContact CB-CB 4.41Å; H383-C386 WeakPolarHBondContact O-CB 3.15Å; H383-C386 PolarHBondContact O-N 2.71Å; H383-C386 PolarHBondContact O-SG 3.48Å
384P93Very high91.3Very high123 Ų12378.8 Ų78.880%0.79942%0.423SS*.THydrogen-bonded Turntrans-55-26.6-176.6-28.234.8000115.4
385L90.8Very high91.1Very high117 Ų11777.3 Ų77.361%0.61342%0.418SS*.THydrogen-bonded Turntrans-97.211.6178.5-52178.8000113.9L315 H383 E387L315-L385 HydrophobicContact CD1-CB 4.08Å; L315-L385 WeakPolarHBondContact CD1-O 3.44Å; H383-L385 PolarHBondContact ND1-N 3.42Å; H383-L385 VanDerWaalsContact ND1-N 3.14Å; H383-L385 PolarHBondContact O-N 2.83Å; L385-E387 VanDerWaalsContact C-N 3.29Å; L385-E387 PolarHBondContact O-N 3.04Å
386C88Confident90.9Very high6 Ų673.3 Ų73.34%0.04140%0.404CS..  trans-69.3-26-176.669.40000112.6V308 R311 S312 L315 E382 H383V308-C386 HydrophobicContact CG1-CB 4.39Å; R311-C386 HydrophobicContact CB-CB 4.35Å; R311-C386 VanDerWaalsContact CD-O 3.31Å; R311-C386 WeakPolarHBondContact CD-O 3.39Å; R311-C386 PolarHBondContact NE-O 3.23Å; S312-C386 WeakPolarHBondContact OG-CB 3.49Å; L315-C386 HydrophobicContact CD1-CB 4.47Å; E382-C386 VanDerWaalsContact CG-SG 3.56Å; H383-C386 HydrophobicContact CB-CB 4.41Å; H383-C386 WeakPolarHBondContact O-CB 3.15Å; H383-C386 PolarHBondContact O-N 2.71Å; H383-C386 PolarHBondContact O-SG 3.48Å
387E88.5Confident90.8Very high88 Ų8872.5 Ų72.541%0.41140%0.397SS..SBendtrans-88.9126.2173.5-172.8147.5-127.100110.5L385 K391 A392L385-E387 VanDerWaalsContact C-N 3.29Å; L385-E387 PolarHBondContact O-N 3.04Å; E387-K391 HydrophobicContact CG-CB 4.24Å; E387-K391 HydrophobicContact CG-CD 4.29Å; E387-K391 HydrophobicContact CG-CG 4.43Å; E387-K391 WeakPolarHBondContact OE1-CD 3.2Å; E387-K391 WeakPolarHBondContact OE1-CE 3.44Å; E387-K391 IonicContact OE1-NZ 3.65Å; E387-K391 PolarHBondContact OE1-NZ 3.31Å; E387-A392 HydrophobicContact CG-CB 4.4Å
388P86.4Confident90.4Very high13 Ų1366.5 Ų66.58%0.08437%0.367CS..  trans-62.9137.9175.2-13.123.7000111.6E282 S390 K391 A392E282-P388 WeakPolarHBondContact OE1-CB 3.11Å; E282-P388 WeakPolarHBondContact OE2-CB 2.97Å; P388-S390 VanDerWaalsContact C-N 3.31Å; P388-S390 PolarHBondContact O-N 3.11Å; P388-K391 HydrophobicContact CB-CB 4.42Å; P388-K391 HydrophobicContact CG-CB 4.5Å; P388-K391 WeakPolarHBondContact O-CA 3.46Å; P388-K391 VanDerWaalsContact O-CB 3.29Å; P388-K391 WeakPolarHBondContact O-CB 3.32Å; P388-K391 PolarHBondContact O-N 3.43Å; P388-A392 PolarHBondContact O-N 3.05Å; P388-A392 VanDerWaalsContact O-N 3.08Å
389T87.3Confident89.7Confident71 Ų7169.3 Ų69.344%0.43638%0.379SS..Hα-helixtrans-51.4-45.3-178.9490000113.5E282 K391 A392 E393E282-T389 PolarHBondContact OE1-N 3.17Å; E282-T389 VanDerWaalsContact OE1-N 3.16Å; E282-T389 PolarHBondContact OE1-OG1 3.13Å; T389-K391 PolarHBondContact O-N 2.74Å; T389-A392 PolarHBondContact O-N 2.68Å; T389-A392 VanDerWaalsContact O-N 3.16Å; T389-E393 WeakPolarHBondContact O-CB 2.95Å; T389-E393 VanDerWaalsContact O-CG 3.29Å; T389-E393 WeakPolarHBondContact O-CG 3.46Å; T389-E393 PolarHBondContact O-N 2.94Å
390S88.4Confident88.8Confident0 Ų074.1 Ų74.10%040%0.402CS..Hα-helixtrans-60.4-27.3177.462.70000113.3E282 P388 C395 R397E282-S390 WeakPolarHBondContact OE1-CB 3.34Å; E282-S390 PolarHBondContact OE1-N 2.97Å; E282-S390 PolarHBondContact OE1-OG 3.24Å; E282-S390 PolarHBondContact OE2-OG 3.48Å; P388-S390 VanDerWaalsContact C-N 3.31Å; P388-S390 PolarHBondContact O-N 3.11Å; S390-C395 VanDerWaalsContact O-CB 3.24Å; S390-C395 WeakPolarHBondContact O-CB 3.49Å; S390-C395 PolarHBondContact O-N 3.27Å; S390-R397 WeakPolarHBondContact OG-CD 3.25Å; S390-R397 PolarHBondContact OG-NE 3Å
391K88.2Confident87.9Confident104 Ų10476 Ų7645%0.45241%0.413SS..Hα-helixtrans-80.7-45176-170.2178.9174.9-120.10110.9E387 P388 T389 E393 G394E387-K391 HydrophobicContact CG-CB 4.24Å; E387-K391 HydrophobicContact CG-CD 4.29Å; E387-K391 HydrophobicContact CG-CG 4.43Å; E387-K391 WeakPolarHBondContact OE1-CD 3.2Å; E387-K391 WeakPolarHBondContact OE1-CE 3.44Å; E387-K391 IonicContact OE1-NZ 3.65Å; E387-K391 PolarHBondContact OE1-NZ 3.31Å; P388-K391 HydrophobicContact CB-CB 4.42Å; P388-K391 HydrophobicContact CG-CB 4.5Å; P388-K391 WeakPolarHBondContact O-CA 3.46Å; P388-K391 VanDerWaalsContact O-CB 3.29Å; P388-K391 WeakPolarHBondContact O-CB 3.32Å; P388-K391 PolarHBondContact O-N 3.43Å; T389-K391 PolarHBondContact O-N 2.74Å; K391-E393 PolarHBondContact O-N 2.67Å; K391-G394 PolarHBondContact O-N 3.37Å
392A87.8Confident86.8Confident72 Ų7274.4 Ų74.460%0.59541%0.41SS*.Hα-helixtrans-59.6-36.1174.900000112E387 P388 T389 G394E387-A392 HydrophobicContact CG-CB 4.4Å; P388-A392 PolarHBondContact O-N 3.05Å; P388-A392 VanDerWaalsContact O-N 3.08Å; T389-A392 PolarHBondContact O-N 2.68Å; T389-A392 VanDerWaalsContact O-N 3.16Å; A392-G394 PolarHBondContact O-N 3.05Å
393E88.4Confident85.9Confident94 Ų9473.8 Ų73.844%0.43941%0.407SS..THydrogen-bonded Turntrans-76.9-0175.3-67.8173-158.500114.1K278 R281 T389 K391 C395K278-E393 VanDerWaalsContact CD-OE2 3.32Å; K278-E393 WeakPolarHBondContact CD-OE2 3.17Å; K278-E393 WeakPolarHBondContact CE-OE2 3.17Å; K278-E393 IonicContact NZ-OE2 3.59Å; K278-E393 PolarHBondContact NZ-OE2 3.3Å; R281-E393 IonicContact NH2-OE1 2.65Å; T389-E393 WeakPolarHBondContact O-CB 2.95Å; T389-E393 VanDerWaalsContact O-CG 3.29Å; T389-E393 WeakPolarHBondContact O-CG 3.46Å; T389-E393 PolarHBondContact O-N 2.94Å; K391-E393 PolarHBondContact O-N 2.67Å; E393-C395 VanDerWaalsContact C-N 3.29Å; E393-C395 PolarHBondContact O-N 3.28Å
394G88.1Confident84.7Confident66 Ų6680.9 Ų80.968%0.6844%0.437SS*.THydrogen-bonded Turntrans66.125.517900000114.8K391 A392K391-G394 PolarHBondContact O-N 3.37Å; A392-G394 PolarHBondContact O-N 3.05Å
395C87.3Confident83.6Confident28 Ų2882.3 Ų82.319%0.18944%0.438CS..  trans-69.2152.7-176.1-65.80000112.7K278 S390 E393 R397K278-C395 VanDerWaalsContact CD-SG 3.51Å; S390-C395 VanDerWaalsContact O-CB 3.24Å; S390-C395 WeakPolarHBondContact O-CB 3.49Å; S390-C395 PolarHBondContact O-N 3.27Å; E393-C395 VanDerWaalsContact C-N 3.29Å; E393-C395 PolarHBondContact O-N 3.28Å; C395-R397 VanDerWaalsContact C-N 3.3Å; C395-R397 HydrophobicContact CB-CG 4.35Å; C395-R397 WeakPolarHBondContact O-CG 3.31Å; C395-R397 PolarHBondContact O-N 2.86Å
396L88.9Confident82.2Confident77 Ų7781.4 Ų81.440%0.40343%0.426SS..  trans-75.380.7170.7-175.863.9000110.6R272 G275R272-L396 HydrophobicContact CB-CD2 4.25Å; G275-L396 WeakPolarHBondContact CA-O 3.18Å
397R88Confident81.2Confident36 Ų3682.8 Ų82.814%0.13644%0.441CS..  trans-73.5-37.5-173.2-62.6171.777.1-149.85.2113.6V279 E282 S390 C395V279-R397 HydrophobicContact CG2-CB 3.73Å; V279-R397 HydrophobicContact CG2-CG 3.65Å; E282-R397 IonicContact OE2-NH2 2.86Å; S390-R397 WeakPolarHBondContact OG-CD 3.25Å; S390-R397 PolarHBondContact OG-NE 3Å; C395-R397 VanDerWaalsContact C-N 3.3Å; C395-R397 HydrophobicContact CB-CG 4.35Å; C395-R397 WeakPolarHBondContact O-CG 3.31Å; C395-R397 PolarHBondContact O-N 2.86Å
398Y85.2Confident79.9Confident63 Ų6382.4 Ų82.425%0.24745%0.447CS..SBendtrans-139.8112.2-177.9-52-81.2000108.2S324 P328S324-Y398 PolarHBondContact O-OH 3.05Å; P328-Y398 VanDerWaalsContact CA-CZ 3.5Å; P328-Y398 HydrophobicContact CB-CD1 4.37Å; P328-Y398 HydrophobicContact CB-CD2 3.92Å; P328-Y398 HydrophobicContact CB-CE1 4.3Å; P328-Y398 HydrophobicContact CB-CE2 3.86Å; P328-Y398 HydrophobicContact CB-CG 4.19Å; P328-Y398 HydrophobicContact CG-CD1 3.71Å; P328-Y398 HydrophobicContact CG-CD2 3.97Å; P328-Y398 HydrophobicContact CG-CE1 3.98Å; P328-Y398 HydrophobicContact CG-CE2 4.24Å; P328-Y398 HydrophobicContact CG-CG 3.71Å
399Q81.1Confident79Confident81 Ų8192.9 Ų92.938%0.37948%0.484SS..PPolyproline II helixtrans-76.8131.6178.1-173.2168.8900109.4
400M76.9Confident78Confident168 Ų16895 Ų9583%0.82850%0.502SS*.PPolyproline II helixtrans-76.6142.1169.4-68.5-177.365.700109.5
401N76.8Confident76.9Confident75 Ų75101.9 Ų101.940%0.40153%0.532SS..PPolyproline II helixtrans-58.3130.2175.4-69.5-19.6000109.5F160 E403 W406F160-N401 WeakPolarHBondContact CZ-ND2 3.2Å; N401-E403 VanDerWaalsContact C-N 3.25Å; N401-E403 PolarHBondContact O-N 2.82Å; N401-W406 HydrophobicContact CB-CB 4.26Å; N401-W406 HydrophobicContact CB-CE3 4.26Å; N401-W406 VanDerWaalsContact OD1-CE3 3.32Å
402P74.1Confident75.7Confident86 Ų86100.9 Ų100.956%0.55854%0.543SS*.SBendtrans-65.9-30-177.225.4-33.8000112.4W406P402-W406 HydrophobicContact CG-CB 4.48Å; P402-W406 HydrophobicContact CG-CD2 3.97Å; P402-W406 HydrophobicContact CG-CG 3.78Å
403E75.3Confident74.5Confident139 Ų139107 Ų10765%0.6556%0.556SS**SBendtrans-136.3156.4-176.6-64.9178.8178.800112.4N401 N405 W406N401-E403 VanDerWaalsContact C-N 3.25Å; N401-E403 PolarHBondContact O-N 2.82Å; E403-N405 PolarHBondContact O-N 2.9Å; E403-W406 HydrophobicContact CB-CB 4.38Å; E403-W406 WeakPolarHBondContact O-CB 3.4Å; E403-W406 PolarHBondContact O-N 3.06Å
404K71.2Confident72.9Confident191 Ų191108.5 Ų108.583%0.8357%0.566SS**THydrogen-bonded Turntrans-66.2124.3168.6-171.3177.8-179.5-179.40108.7
405N67.9Low70.7Confident154 Ų154114.8 Ų114.882%0.82458%0.575SS**THydrogen-bonded Turntrans7419.4-173.2-44.5-47.4000115.8E403 G407E403-N405 PolarHBondContact O-N 2.9Å; N405-G407 PolarHBondContact O-N 3.23Å
406W62.6Low68.7Low98 Ų98121.7 Ų121.737%0.37160%0.604SS.*  trans-62.1132.3167.4-169.179.5000110.1D159 F160 N401 P402 E403D159-W406 HydrophobicContact CB-CZ3 3.96Å; D159-W406 WeakPolarHBondContact OD2-CH2 3.39Å; D159-W406 WeakPolarHBondContact OD2-CZ3 3.41Å; F160-W406 HydrophobicContact CD2-CE3 4.48Å; F160-W406 HydrophobicContact CD2-CZ3 4.49Å; F160-W406 AromaticContact CE2-CE3 3.78Å; F160-W406 HydrophobicContact CE2-CE3 3.78Å; F160-W406 HydrophobicContact CE2-CZ3 4.13Å; F160-W406 WeakPolarHBondContact CE2-O 3.32Å; F160-W406 WeakPolarHBondContact CZ-O 3.38Å; N401-W406 HydrophobicContact CB-CB 4.26Å; N401-W406 HydrophobicContact CB-CE3 4.26Å; N401-W406 VanDerWaalsContact OD1-CE3 3.32Å; P402-W406 HydrophobicContact CG-CB 4.48Å; P402-W406 HydrophobicContact CG-CD2 3.97Å; P402-W406 HydrophobicContact CG-CG 3.78Å; E403-W406 HydrophobicContact CB-CB 4.38Å; E403-W406 WeakPolarHBondContact O-CB 3.4Å; E403-W406 PolarHBondContact O-N 3.06Å
407G66.2Low66.4Low34 Ų34121.1 Ų121.135%0.35162%0.616SS.*SBendtrans154.7177.4-176.100000113.6N405 R409N405-G407 PolarHBondContact O-N 3.23Å; G407-R409 PolarHBondContact O-N 3.39Å
408P62.2Low63.6Low81 Ų81124.7 Ų124.753%0.52665%0.654SS.*PPolyproline II helixtrans-62.4127.6-178.924.3-32.1000111.2F160F160-P408 HydrophobicContact CB-CG 4.21Å
409R67.9Low61.3Low232 Ų232130.6 Ų130.688%0.87571%0.705SS**PPolyproline II helixtrans-74.6162.8173.3-65.5-175.4-179.7-179.20.9110.6G407G407-R409 PolarHBondContact O-N 3.39Å
410S65.4Low60.3Low116 Ų116133.1 Ų133.181%0.81172%0.721SS**PPolyproline II helixtrans-58.8145.917450.30000111.2A412S410-A412 PolarHBondContact O-N 3.2Å
411K66.1Low59.4Low144 Ų144131.3 Ų131.363%0.62672%0.715SS**PPolyproline II helixtrans-55.1137173.5-174.4-176.3177.3-174.70109.6Y75 K413Y75-K411 HydrophobicContact CD2-CG 4.25Å; Y75-K411 HydrophobicContact CG-CG 4.46Å; K411-K413 PolarHBondContact O-N 3.34Å
412A62.7Low58.4Low83 Ų83134.4 Ų134.469%0.68673%0.733SS**PPolyproline II helixtrans-55.5124.9173.100000110.2S410 I414S410-A412 PolarHBondContact O-N 3.2Å; A412-I414 PolarHBondContact O-N 3.26Å
413K61.6Low57.5Low201 Ų201137.2 Ų137.287%0.87474%0.743SS**PPolyproline II helixtrans-76.4118.3173.7-68.6-175.6179.2-178.50108.1K411 K415K411-K413 PolarHBondContact O-N 3.34Å; K413-K415 PolarHBondContact O-N 3.24Å
414I54.3Low56.4Low126 Ų126137.1 Ų137.165%0.64675%0.749SS**  trans-68.7113.9166.9-58.8173.4000105.9A412 H416A412-I414 PolarHBondContact O-N 3.26Å; I414-H416 PolarHBondContact O-N 3.16Å; I414-H416 VanDerWaalsContact O-N 3.11Å
415K42.2Very low55.4Low197 Ų197133.5 Ų133.586%0.85774%0.743SS**  trans-68.4104.6165-74.9-175.4177.2-178.50106K413 G417K413-K415 PolarHBondContact O-N 3.24Å; K415-G417 VanDerWaalsContact C-N 3.31Å; K415-G417 PolarHBondContact O-N 3.22Å
416H46.9Very low54.5Low173 Ų173132.1 Ų132.180%0.80174%0.738SS**  trans-64.5103.3159-73.6-61.7000105.8I414 A418I414-H416 PolarHBondContact O-N 3.16Å; I414-H416 VanDerWaalsContact O-N 3.11Å; H416-A418 PolarHBondContact O-N 3.46Å
417G39Very low53.9Low65 Ų65134.7 Ų134.767%0.6777%0.766SS**  trans-58.4125.2165.200000106.9K415 S419K415-G417 VanDerWaalsContact C-N 3.31Å; K415-G417 PolarHBondContact O-N 3.22Å; G417-S419 PolarHBondContact O-N 3.49Å; G417-S419 VanDerWaalsContact O-N 3.11Å
418A30.1Very low52.9Low112 Ų112143.1 Ų143.193%0.92680%0.8SS**  trans-58.5114.3166.400000107.4H416H416-A418 PolarHBondContact O-N 3.46Å
419S35.7Very low52Low187 Ų187148.7 Ų148.7100%1.30883%0.825SS**  trans-110.40154.858.70000107.1G417G417-S419 PolarHBondContact O-N 3.49Å; G417-S419 VanDerWaalsContact O-N 3.11Å

Retrieved 419 of 419 residues in 378.1 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).