A0A096MPU0_PAPAN Loading...

Ras-related protein Rab

The small GTPases Rab are key regulators in vesicle trafficking.

AlphaFold DB (A0A0D9RQD0), UniProt , Accession A0A096MPU0, Species PAPAN (Papio anubis, Olive baboon), Gene RAB29, Length 203 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
1M47.3Very low85.8Confident235 Ų23568.4 Ų68.4100%1.15837%0.369SS*.  0126.50-80131.578.300107.5
2G60.3Low86.8Confident69 Ų6962.7 Ų62.771%0.71134%0.338SS*.PPolyproline II helixtrans-68.1135-176.200000111.5R4G2-R4 PolarHBondContact O-N 3.22Å
3S74.5Confident87.6Confident59 Ų5957.9 Ų57.941%0.41331%0.313SS..PPolyproline II helixtrans-61.3130.8168.11790000109.1D5 S54 I56S3-D5 PolarHBondContact OG-OD1 3.24Å; S3-S54 CarbonylContact C-O 3.57Å; S3-S54 WeakPolarHBondContact CA-O 3.25Å; S3-I56 WeakPolarHBondContact OG-CD1 3.46Å
4R88.8Confident88.2Confident154 Ų15453.8 Ų53.858%0.58129%0.29SS*.EExtended strand (participates in β ladder)trans-89116.4171.4-84.2-174.4-90.7175.4-7.5109.1G2 S54 E55 I56G2-R4 PolarHBondContact O-N 3.22Å; R4-S54 PolarHBondContact N-O 3.02Å; R4-E55 HydrophobicContact CB-CG 4.28Å; R4-E55 VanDerWaalsContact O-CA 3.32Å; R4-E55 WeakPolarHBondContact O-CA 3.35Å; R4-I56 PolarHBondContact O-N 3.15Å
5D92.8Very high88.6Confident80 Ų8052.1 Ų52.143%0.42828%0.281SS..EExtended strand (participates in β ladder)trans-96121.8178.6-81.433.2000109.8S3 R58S3-D5 PolarHBondContact OG-OD1 3.24Å; D5-R58 IonicContact OD2-CZ 2.8Å; D5-R58 IonicContact OD2-NE 2.7Å; D5-R58 PolarHBondContact OD2-NE 3.21Å; D5-R58 IonicContact OD2-NH2 3.01Å; D5-R58 PolarHBondContact OD2-NH2 3.07Å
6H95.3Very high88.9Confident19 Ų1951.4 Ų51.49%0.08829%0.285CS..EExtended strand (participates in β ladder)trans-106.3127175.6-61.1-85.3000109.3F8 E55 I56 V57 R58 M174H6-F8 HydrophobicContact CB-CE2 3.84Å; H6-F8 HydrophobicContact CB-CZ 4.01Å; H6-E55 IonicContact NE2-OE1 3.34Å; H6-E55 PolarHBondContact NE2-OE1 3.5Å; H6-I56 PolarHBondContact N-O 3.04Å; H6-V57 HydrophobicContact CB-CG2 4.32Å; H6-R58 PolarHBondContact O-N 3.44Å; H6-M174 HydrophobicContact CB-SD 4.01Å; H6-M174 WeakPolarHBondContact NE2-CE 3.5Å
7L95.9Very high89.1Confident101 Ų10151.3 Ų51.353%0.52929%0.292SS..EExtended strand (participates in β ladder)trans-111.5118.1176.3-178.767.3000109R58 Q60L7-R58 WeakPolarHBondContact CA-O 3.19Å; L7-R58 HydrophobicContact CD1-CB 3.76Å; L7-Q60 HydrophobicContact CD1-CG 3.82Å
8F97.2Very high89.5Confident13 Ų1348.5 Ų48.56%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-120.6136176.3-60.2-58000111.4H6 V57 R58 L59 Q60 M173 M174H6-F8 HydrophobicContact CB-CE2 3.84Å; H6-F8 HydrophobicContact CB-CZ 4.01Å; F8-V57 HydrophobicContact CD2-CG1 3.93Å; F8-V57 HydrophobicContact CE2-CG1 4.26Å; F8-R58 PolarHBondContact N-O 3.21Å; F8-L59 HydrophobicContact CB-CD2 3.86Å; F8-L59 HydrophobicContact CD2-CD2 4.16Å; F8-L59 WeakPolarHBondContact O-CA 3.36Å; F8-Q60 PolarHBondContact O-N 2.99Å; F8-M173 HydrophobicContact CB-CE 3.93Å; F8-M173 HydrophobicContact CB-SD 3.64Å; F8-M173 HydrophobicContact CD1-CB 4.04Å; F8-M173 HydrophobicContact CD1-SD 4.17Å; F8-M173 HydrophobicContact CD2-CB 4.15Å; F8-M173 HydrophobicContact CD2-CE 4Å; F8-M173 HydrophobicContact CD2-SD 4.27Å; F8-M173 HydrophobicContact CE1-CB 3.95Å; F8-M173 HydrophobicContact CE2-CB 4.06Å; F8-M173 HydrophobicContact CG-CB 4.14Å; F8-M173 HydrophobicContact CG-CE 4.06Å; F8-M173 HydrophobicContact CG-SD 3.78Å; F8-M173 HydrophobicContact CZ-CB 3.96Å; F8-M174 HydrophobicContact CE2-CG 3.95Å; F8-M174 HydrophobicContact CE2-SD 3.55Å; F8-M174 VanDerWaalsContact CE2-SD 3.55Å; F8-M174 HydrophobicContact CZ-CG 4.27Å; F8-M174 HydrophobicContact CZ-SD 3.79Å
9K96.9Very high89.9Confident22 Ų2246.7 Ų46.710%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-95.6121.7170.9173.9173.6175.3-177.50109.5Q60 W62 Y77 R79 A81 S82 A83K9-Q60 HydrophobicContact CB-CB 4.49Å; K9-W62 HydrophobicContact CG-CG 4.38Å; K9-Y77 WeakPolarHBondContact CE-O 3.47Å; K9-Y77 PolarHBondContact NZ-O 3.44Å; K9-R79 PolarHBondContact NZ-O 3.44Å; K9-A81 HydrophobicContact CD-CB 4.35Å; K9-A81 HydrophobicContact CG-CB 4.11Å; K9-S82 PolarHBondContact N-OG 3.26Å; K9-S82 PolarHBondContact O-N 2.91Å; K9-A83 PolarHBondContact O-N 3.28Å
10V97.9Very high90.2Very high0 Ų044.9 Ų44.90%026%0.258CS..EExtended strand (participates in β ladder)trans-117.3118.4-179.6-172.80000109.1L59 Q60 L61 W62 A83 V85 M166 L169 M173V10-L59 HydrophobicContact CG2-CD2 4.16Å; V10-Q60 PolarHBondContact N-O 3.46Å; V10-L61 HydrophobicContact CB-CD2 4.15Å; V10-W62 PolarHBondContact O-N 2.73Å; V10-A83 WeakPolarHBondContact CA-O 3.42Å; V10-V85 HydrophobicContact CG1-CG2 4.04Å; V10-M166 HydrophobicContact CG1-CE 4.49Å; V10-L169 HydrophobicContact CG1-CD2 4.03Å; V10-M173 HydrophobicContact CG2-CE 3.92Å; V10-M173 HydrophobicContact CG2-SD 4.15Å
11L97.4Very high90.5Very high0 Ų044.1 Ų44.10%025%0.254CS..EExtended strand (participates in β ladder)trans-78139.8172.6-53.9175.2000109.6V13 W62 I64 Y77 Y78 A81 A83 C84 V85 L106L11-V13 HydrophobicContact CB-CG1 4.24Å; L11-W62 HydrophobicContact CD2-CB 4.12Å; L11-I64 HydrophobicContact CD2-CD1 4.13Å; L11-Y77 WeakPolarHBondContact CD2-O 3.34Å; L11-Y78 HydrophobicContact CD1-CD1 3.57Å; L11-Y78 HydrophobicContact CD1-CD2 4.46Å; L11-Y78 HydrophobicContact CD1-CE1 4.13Å; L11-Y78 HydrophobicContact CD1-CG 3.77Å; L11-Y78 HydrophobicContact CD2-CD1 4.43Å; L11-A81 HydrophobicContact CD1-CB 3.69Å; L11-A81 HydrophobicContact CD2-CB 3.91Å; L11-A81 HydrophobicContact CG-CB 3.51Å; L11-A83 PolarHBondContact N-O 2.88Å; L11-C84 HydrophobicContact CB-CB 4.32Å; L11-C84 CarbonylContact O-C 3.6Å; L11-V85 PolarHBondContact O-N 3.44Å; L11-L106 HydrophobicContact CD1-CD1 3.89Å
12V97.6Very high92.8Very high0 Ų034.3 Ų34.30%021%0.209CC..EExtended strand (participates in β ladder)trans-119.8108.1169.2-171.10000107.8K20 L23 V24 W62 I64 V85 M87V12-K20 HydrophobicContact CG1-CB 3.8Å; V12-K20 HydrophobicContact CG1-CD 4.4Å; V12-K20 HydrophobicContact CG1-CG 4.09Å; V12-L23 HydrophobicContact CG1-CD2 4.42Å; V12-V24 HydrophobicContact CB-CG2 4.23Å; V12-V24 HydrophobicContact CG1-CG2 4.43Å; V12-V24 HydrophobicContact CG2-CG2 3.8Å; V12-W62 PolarHBondContact N-O 2.94Å; V12-I64 PolarHBondContact O-N 2.78Å; V12-V85 WeakPolarHBondContact CA-O 3.42Å; V12-V85 HydrophobicContact CG2-CB 4.5Å; V12-M87 HydrophobicContact CG1-CG 4.38Å; V12-M87 HydrophobicContact CG1-SD 3.89Å
13V96.7Very high94.5Very high1 Ų131 Ų311%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-128.7169.9-173.9-51.60000111.7L11 K20 I64 Y78 V85 I86 M87 W102L11-V13 HydrophobicContact CB-CG1 4.24Å; V13-K20 WeakPolarHBondContact O-CD 3.48Å; V13-I64 HydrophobicContact CG1-CB 4.22Å; V13-I64 HydrophobicContact CG1-CD1 3.92Å; V13-I64 HydrophobicContact CG1-CG1 4.41Å; V13-Y78 HydrophobicContact CG1-CE1 4.27Å; V13-V85 PolarHBondContact N-O 3.03Å; V13-I86 HydrophobicContact CG2-CB 4.39Å; V13-I86 HydrophobicContact CG2-CD1 4.31Å; V13-I86 HydrophobicContact CG2-CG1 3.64Å; V13-I86 WeakPolarHBondContact O-CA 3.12Å; V13-M87 PolarHBondContact O-N 2.91Å; V13-W102 HydrophobicContact CB-CD2 4.26Å; V13-W102 HydrophobicContact CB-CE3 3.72Å; V13-W102 HydrophobicContact CB-CH2 4.49Å; V13-W102 HydrophobicContact CB-CZ3 3.86Å; V13-W102 HydrophobicContact CG1-CE3 4.43Å; V13-W102 HydrophobicContact CG1-CZ3 4.29Å; V13-W102 HydrophobicContact CG2-CB 4.36Å; V13-W102 HydrophobicContact CG2-CD2 4.23Å; V13-W102 HydrophobicContact CG2-CE3 3.86Å; V13-W102 HydrophobicContact CG2-CG 4.48Å; V13-W102 HydrophobicContact CG2-CZ3 4.49Å
14G96.3Very high95.5Very high0 Ų028.6 Ų28.60%016%0.158CC..  trans134.4169.1-170.700000111.2K20 G66 W102G14-K20 WeakPolarHBondContact O-CE 3.45Å; G14-K20 PolarHBondContact O-NZ 3.33Å; G14-G66 VanDerWaalsContact O-CA 3.3Å; G14-G66 WeakPolarHBondContact O-CA 3.47Å; G14-W102 WeakPolarHBondContact O-CZ2 3.4Å
15D95Very high95.8Very high29 Ų2924.2 Ų24.216%0.15514%0.144CC..SBendtrans-62.1167.5-175.3-74.99.1000113.1V18 K20 T95 N98 W102D15-V18 HydrophobicContact CB-CG1 3.92Å; D15-V18 VanDerWaalsContact O-CG2 3.22Å; D15-V18 WeakPolarHBondContact O-CG2 3.28Å; D15-K20 PolarHBondContact O-NZ 3.5Å; D15-T95 HydrophobicContact CB-CG2 3.96Å; D15-N98 WeakPolarHBondContact OD1-CB 3.45Å; D15-N98 WeakPolarHBondContact OD2-CB 3.45Å; D15-N98 PolarHBondContact OD2-ND2 3.32Å; D15-W102 PolarHBondContact OD1-NE1 3.44Å
16A92.2Very high95.9Very high41 Ų4122.3 Ų22.334%0.33913%0.131SC..THydrogen-bonded Turntrans-59.1149.4173.400000111.1V18A16-V18 PolarHBondContact O-N 2.69Å
17A93Very high95.9Very high49 Ų4922 Ų2241%0.40513%0.129SC..THydrogen-bonded Turntrans60.28.7176.900000117.8G19 Y36 K126A17-G19 PolarHBondContact O-N 3.13Å; A17-Y36 HydrophobicContact CB-CD2 4.48Å; A17-Y36 HydrophobicContact CB-CE2 3.99Å; A17-K126 VanDerWaalsContact O-CE 3.32Å; A17-K126 WeakPolarHBondContact O-CE 3.4Å; A17-K126 PolarHBondContact O-NZ 3.37Å
18V96.8Very high95.7Very high1 Ų118.2 Ų18.21%0.00611%0.11CC..SBendtrans-73.5-12.8174.3-55.90000113.7D15 A16 K20 M87 D89 T95 N125D15-V18 HydrophobicContact CB-CG1 3.92Å; D15-V18 VanDerWaalsContact O-CG2 3.22Å; D15-V18 WeakPolarHBondContact O-CG2 3.28Å; A16-V18 PolarHBondContact O-N 2.69Å; V18-K20 HydrophobicContact CG2-CD 4.18Å; V18-K20 HydrophobicContact CG2-CG 3.6Å; V18-M87 HydrophobicContact CG2-CB 3.8Å; V18-D89 HydrophobicContact CG1-CB 4.38Å; V18-T95 HydrophobicContact CG1-CG2 3.81Å; V18-N125 PolarHBondContact O-ND2 3.33Å
19G96.4Very high95.1Very high14 Ų1423.8 Ų23.814%0.14414%0.136CC..SBendtrans106.419.1174.500000116.6A17 S22 L23A17-G19 PolarHBondContact O-N 3.13Å; G19-S22 PolarHBondContact O-N 3.18Å; G19-L23 PolarHBondContact O-N 2.97Å
20K96.6Very high94.3Very high10 Ų1028.1 Ų28.14%0.04316%0.161CC..Hα-helixtrans-56.9-57.1-179.8-55.6-171.1-57.3-72.20113.7V12 V13 G14 D15 V18 S22 L23 V24 D63 I64 M87V12-K20 HydrophobicContact CG1-CB 3.8Å; V12-K20 HydrophobicContact CG1-CD 4.4Å; V12-K20 HydrophobicContact CG1-CG 4.09Å; V13-K20 WeakPolarHBondContact O-CD 3.48Å; G14-K20 WeakPolarHBondContact O-CE 3.45Å; G14-K20 PolarHBondContact O-NZ 3.33Å; D15-K20 PolarHBondContact O-NZ 3.5Å; V18-K20 HydrophobicContact CG2-CD 4.18Å; V18-K20 HydrophobicContact CG2-CG 3.6Å; K20-S22 VanDerWaalsContact C-N 3.27Å; K20-S22 PolarHBondContact O-N 3.2Å; K20-L23 WeakPolarHBondContact O-CB 3.45Å; K20-L23 PolarHBondContact O-N 3.1Å; K20-V24 PolarHBondContact O-N 2.86Å; K20-D63 WeakPolarHBondContact CB-OD1 3.47Å; K20-I64 WeakPolarHBondContact CE-O 3.49Å; K20-M87 HydrophobicContact CB-SD 4.31Å; K20-M87 HydrophobicContact CG-CB 4.32Å; K20-M87 HydrophobicContact CG-CG 4.45Å; K20-M87 HydrophobicContact CG-SD 4.02Å
21T94.9Very high93.1Very high30 Ų3030.2 Ų30.218%0.18418%0.176CC..Hα-helixtrans-56.6-42.8177.4-41.40000111.7L23 V24 Q25 T39 D63T21-L23 VanDerWaalsContact C-N 3.35Å; T21-L23 PolarHBondContact O-N 3.4Å; T21-V24 PolarHBondContact O-N 2.85Å; T21-Q25 WeakPolarHBondContact O-CB 3.3Å; T21-Q25 VanDerWaalsContact O-CG 3.29Å; T21-Q25 WeakPolarHBondContact O-CG 3.41Å; T21-Q25 PolarHBondContact O-N 2.94Å; T21-T39 PolarHBondContact OG1-OG1 3.5Å; T21-D63 VanDerWaalsContact CA-OD2 3.29Å; T21-D63 WeakPolarHBondContact CA-OD2 3.32Å; T21-D63 VanDerWaalsContact CB-OD2 3.23Å; T21-D63 WeakPolarHBondContact CB-OD2 3.47Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.42Å; T21-D63 PolarHBondContact OG1-OD2 3.49Å
22S95.8Very high91.9Very high28 Ų2833.6 Ų33.620%0.19619%0.19CC..Hα-helixtrans-65.2-37.6177.4-53.90000112G19 K20 R26 V156G19-S22 PolarHBondContact O-N 3.18Å; K20-S22 VanDerWaalsContact C-N 3.27Å; K20-S22 PolarHBondContact O-N 3.2Å; S22-R26 WeakPolarHBondContact O-CB 3.23Å; S22-R26 PolarHBondContact O-N 2.87Å; S22-V156 VanDerWaalsContact C-CG1 3.4Å; S22-V156 VanDerWaalsContact O-CG1 3.32Å; S22-V156 WeakPolarHBondContact O-CG1 3.41Å
23L97.1Very high90.8Very high1 Ų136.1 Ų36.11%0.00521%0.208CC..Hα-helixtrans-64.4-46.1175.2178.6138.4000110.6V12 G19 K20 T21 R26 Y27 M87 L123 V156 I162V12-L23 HydrophobicContact CG1-CD2 4.42Å; G19-L23 PolarHBondContact O-N 2.97Å; K20-L23 WeakPolarHBondContact O-CB 3.45Å; K20-L23 PolarHBondContact O-N 3.1Å; T21-L23 VanDerWaalsContact C-N 3.35Å; T21-L23 PolarHBondContact O-N 3.4Å; L23-R26 PolarHBondContact O-N 3.33Å; L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.22Å; L23-Y27 PolarHBondContact O-N 3Å; L23-M87 HydrophobicContact CB-CE 3.94Å; L23-M87 HydrophobicContact CB-SD 3.89Å; L23-M87 HydrophobicContact CD1-CE 3.61Å; L23-M87 HydrophobicContact CD1-SD 3.79Å; L23-M87 HydrophobicContact CD2-SD 4.45Å; L23-M87 HydrophobicContact CG-CE 4.38Å; L23-M87 HydrophobicContact CG-SD 4.25Å; L23-L123 HydrophobicContact CD1-CD1 3.45Å; L23-L123 VanDerWaalsContact CD1-CD1 3.45Å; L23-V156 HydrophobicContact CB-CG2 3.77Å; L23-V156 HydrophobicContact CD1-CG2 4.24Å; L23-V156 HydrophobicContact CG-CG2 4.41Å; L23-I162 HydrophobicContact CD1-CG2 4.46Å; L23-I162 HydrophobicContact CG-CG2 4.43Å
24V96.1Very high89.5Confident8 Ų844.4 Ų44.45%0.04824%0.244CC..Hα-helixtrans-61.4-47178.3172.90000110.7V12 K20 T21 S28 A45 L61 D63V12-V24 HydrophobicContact CB-CG2 4.23Å; V12-V24 HydrophobicContact CG1-CG2 4.43Å; V12-V24 HydrophobicContact CG2-CG2 3.8Å; K20-V24 PolarHBondContact O-N 2.86Å; T21-V24 PolarHBondContact O-N 2.85Å; V24-S28 VanDerWaalsContact O-CB 3.25Å; V24-S28 WeakPolarHBondContact O-CB 3.41Å; V24-S28 PolarHBondContact O-N 3.42Å; V24-S28 PolarHBondContact O-OG 3.12Å; V24-A45 HydrophobicContact CG1-CB 3.48Å; V24-A45 VanDerWaalsContact CG1-CB 3.48Å; V24-L61 HydrophobicContact CG1-CB 3.96Å; V24-L61 HydrophobicContact CG1-CD1 4.15Å; V24-L61 HydrophobicContact CG2-CB 4.22Å; V24-D63 HydrophobicContact CG2-CB 4.15Å
25Q93.8Very high88.5Confident61 Ų6151.9 Ų51.929%0.28528%0.279SS..Hα-helixtrans-61.7-48.3175.9-73.4173.7-9.200112T21 Y27 S28 Q29T21-Q25 WeakPolarHBondContact O-CB 3.3Å; T21-Q25 VanDerWaalsContact O-CG 3.29Å; T21-Q25 WeakPolarHBondContact O-CG 3.41Å; T21-Q25 PolarHBondContact O-N 2.94Å; Q25-Y27 PolarHBondContact O-N 2.83Å; Q25-S28 PolarHBondContact O-N 3.27Å; Q25-Q29 WeakPolarHBondContact O-CA 3.32Å; Q25-Q29 WeakPolarHBondContact O-CB 3.42Å; Q25-Q29 PolarHBondContact O-N 3.32Å
26R94.4Very high87.3Confident41 Ų4157.1 Ų57.116%0.15530%0.297CS..Hα-helixtrans-60.6-46.6180177.563.881.5-170.613.1111.6S22 L23 D30 S31 V156 K157 I162S22-R26 WeakPolarHBondContact O-CB 3.23Å; S22-R26 PolarHBondContact O-N 2.87Å; L23-R26 PolarHBondContact O-N 3.33Å; R26-D30 PolarHBondContact NH1-O 3.1Å; R26-D30 WeakPolarHBondContact O-CA 3.4Å; R26-D30 PolarHBondContact O-N 3.07Å; R26-S31 WeakPolarHBondContact CA-O 3.45Å; R26-S31 PolarHBondContact N-O 3.32Å; R26-V156 HydrophobicContact CB-CG1 4.01Å; R26-V156 PolarHBondContact NE-O 2.87Å; R26-K157 PolarHBondContact NH2-O 3.13Å; R26-I162 HydrophobicContact CB-CD1 4.27Å; R26-I162 HydrophobicContact CG-CD1 3.53Å
27Y95.4Very high86.5Confident13 Ų1363.7 Ų63.75%0.05132%0.318CS..Hα-helixtrans-74.4-35.2-176.4-170.4-119.9000113L23 Q25 K47 L59 L61 I162 N163 M166L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.22Å; L23-Y27 PolarHBondContact O-N 3Å; Q25-Y27 PolarHBondContact O-N 2.83Å; Y27-K47 HydrophobicContact CD1-CG 4.32Å; Y27-K47 HydrophobicContact CE1-CG 3.99Å; Y27-K47 VanDerWaalsContact O-CE 3.29Å; Y27-K47 WeakPolarHBondContact O-CE 3.35Å; Y27-K47 PolarHBondContact O-NZ 3.02Å; Y27-L59 HydrophobicContact CE1-CD1 3.88Å; Y27-L61 HydrophobicContact CD1-CD1 4.01Å; Y27-I162 HydrophobicContact CD2-CG2 3.98Å; Y27-I162 HydrophobicContact CG-CG2 4.32Å; Y27-N163 WeakPolarHBondContact CD2-OD1 3.33Å; Y27-N163 WeakPolarHBondContact CE2-OD1 3.37Å; Y27-M166 HydrophobicContact CD1-CE 4.11Å; Y27-M166 HydrophobicContact CD1-CG 3.99Å; Y27-M166 HydrophobicContact CD2-CG 4.14Å; Y27-M166 HydrophobicContact CE1-CB 3.84Å; Y27-M166 HydrophobicContact CE1-CE 3.82Å; Y27-M166 HydrophobicContact CE1-CG 3.78Å; Y27-M166 HydrophobicContact CE2-CB 3.82Å; Y27-M166 HydrophobicContact CE2-CG 3.95Å; Y27-M166 HydrophobicContact CG-CG 4.17Å; Y27-M166 VanDerWaalsContact CZ-CB 3.43Å; Y27-M166 WeakPolarHBondContact OH-CB 3.33Å
28S91.9Very high85.8Confident20 Ų2064.9 Ų64.914%0.1432%0.323CS..Hα-helixtrans-80.5-40.3-179.861.40000113.6V24 Q25V24-S28 VanDerWaalsContact O-CB 3.25Å; V24-S28 WeakPolarHBondContact O-CB 3.41Å; V24-S28 PolarHBondContact O-N 3.42Å; V24-S28 PolarHBondContact O-OG 3.12Å; Q25-S28 PolarHBondContact O-N 3.27Å
29Q85.9Confident84.8Confident130 Ų13066 Ų6661%0.60733%0.33SS*.Hα-helixtrans-121.6-0.2-167.7-60.8166.626.500114Q25 S31Q25-Q29 WeakPolarHBondContact O-CA 3.32Å; Q25-Q29 WeakPolarHBondContact O-CB 3.42Å; Q25-Q29 PolarHBondContact O-N 3.32Å; Q29-S31 PolarHBondContact O-N 3.35Å
30D79.6Confident83.9Confident113 Ų11371.8 Ų71.860%0.60436%0.362SS*.SBendtrans55.626.3-172.1-157.218.4000114.1R26R26-D30 PolarHBondContact NH1-O 3.1Å; R26-D30 WeakPolarHBondContact O-CA 3.4Å; R26-D30 PolarHBondContact O-N 3.07Å
31S72.8Confident83Confident45 Ų4571.9 Ų71.932%0.31537%0.366SS..  trans-112.7152.3-175.671.80000112.6R26 Q29R26-S31 WeakPolarHBondContact CA-O 3.45Å; R26-S31 PolarHBondContact N-O 3.32Å; Q29-S31 PolarHBondContact O-N 3.35Å
32F71.8Confident82.5Confident70 Ų7072.8 Ų72.831%0.30737%0.372SS..  trans-145.1136.8173.6175.2-102.3000111.4K34 V156 K157F32-K34 HydrophobicContact CE1-CG 3.71Å; F32-K34 HydrophobicContact CZ-CG 4.44Å; F32-V156 HydrophobicContact CD2-CG1 3.94Å; F32-V156 HydrophobicContact CE2-CG1 4.16Å; F32-K157 HydrophobicContact CE1-CB 4.12Å; F32-K157 HydrophobicContact CE1-CG 4.02Å; F32-K157 HydrophobicContact CE2-CB 4.35Å; F32-K157 HydrophobicContact CZ-CB 3.87Å; F32-K157 HydrophobicContact CZ-CG 4.22Å
33S73.8Confident82.1Confident53 Ų5375.8 Ų75.837%0.37139%0.385SS..  trans-119.5134.5173.61780000110.3H35S33-H35 VanDerWaalsContact C-N 3.28Å; S33-H35 PolarHBondContact OG-N 3.43Å; S33-H35 VanDerWaalsContact OG-N 3.16Å
34K69.7Low81.7Confident176 Ų17680.4 Ų80.477%0.76541%0.406SS*.SBendtrans-76.5-17.1171.3-68.8-178.7-179177.90112.7F32 Y36F32-K34 HydrophobicContact CE1-CG 3.71Å; F32-K34 HydrophobicContact CZ-CG 4.44Å; K34-Y36 PolarHBondContact O-N 3.15Å
35H76.1Confident81.6Confident157 Ų15780.6 Ų80.673%0.72741%0.408SS*.SBendtrans-78.7110.1-179.5-63.2-68000109.8S33 K37S33-H35 VanDerWaalsContact C-N 3.28Å; S33-H35 PolarHBondContact OG-N 3.43Å; S33-H35 VanDerWaalsContact OG-N 3.16Å; H35-K37 PolarHBondContact O-N 3.23Å
36Y69.5Low81.6Confident139 Ų13981.7 Ų81.755%0.54542%0.416SS..  trans-67.5124.3173.3179.7-105.6000110.3A17 K34A17-Y36 HydrophobicContact CB-CD2 4.48Å; A17-Y36 HydrophobicContact CB-CE2 3.99Å; K34-Y36 PolarHBondContact O-N 3.15Å
37K75.3Confident81.6Confident179 Ų17982.3 Ų82.378%0.77842%0.419SS*.  trans-120.6127.3163.5-66.8-173.6178.7-177.50107H35 T39H35-K37 PolarHBondContact O-N 3.23Å; K37-T39 PolarHBondContact O-N 3.11Å
38S78.1Confident81.6Confident73 Ų7385.1 Ų85.151%0.5144%0.438SS..  trans-67.6129.3177.3-167.10000109.7
39T76.3Confident81.7Confident25 Ų2586 Ų8615%0.15344%0.44CS..  trans-65.9135.6168.4-46.50000109T21 K37 D43 D63 A65T21-T39 PolarHBondContact OG1-OG1 3.5Å; K37-T39 PolarHBondContact O-N 3.11Å; T39-D43 HydrophobicContact CG2-CB 4.35Å; T39-D63 PolarHBondContact OG1-OD2 3.42Å; T39-A65 HydrophobicContact CG2-CB 4.18Å; T39-A65 WeakPolarHBondContact O-CB 3.43Å
40V76.5Confident82.1Confident135 Ų13585.7 Ų85.782%0.81844%0.439SS*.  trans-108.9118.51731790000107V42V40-V42 PolarHBondContact O-N 3.35Å
41G79Confident82.8Confident12 Ų1283.4 Ų83.412%0.12442%0.422CS..SBendtrans69.5-113.5-176.400000112.9A65G41-A65 VanDerWaalsContact O-CB 3.22Å; G41-A65 WeakPolarHBondContact O-CB 3.42Å; G41-A65 PolarHBondContact O-N 2.86Å
42V84.8Confident83.8Confident49 Ų4983.1 Ų83.130%0.29742%0.42SS..EExtended strand (participates in β ladder)trans-137139.9-174.866.40000111V40 W62 D63 I64 Y77V40-V42 PolarHBondContact O-N 3.35Å; V42-W62 HydrophobicContact CG2-CE3 3.69Å; V42-W62 HydrophobicContact CG2-CZ3 4.28Å; V42-D63 WeakPolarHBondContact CA-O 3.29Å; V42-I64 HydrophobicContact CG2-CG1 4.14Å; V42-Y77 HydrophobicContact CB-CD1 4.29Å; V42-Y77 HydrophobicContact CB-CE1 4.05Å; V42-Y77 HydrophobicContact CG1-CD1 3.99Å; V42-Y77 HydrophobicContact CG1-CE1 3.51Å; V42-Y77 HydrophobicContact CG2-CD1 4.49Å
43D87.3Confident84.7Confident91 Ų9188 Ų8849%0.48745%0.45SS..EExtended strand (participates in β ladder)trans-121.1156.2172.5-161.46.7000110.6T39 D63T39-D43 HydrophobicContact CG2-CB 4.35Å; D43-D63 HydrophobicContact CB-CB 4.35Å; D43-D63 PolarHBondContact N-O 2.89Å; D43-D63 PolarHBondContact O-N 3.22Å
44F87.6Confident85.6Confident99 Ų9987.6 Ų87.643%0.43445%0.447SS..EExtended strand (participates in β ladder)trans-128.9133.8-171.6168.4-92.4000111.4L46 Q60 L61 W62F44-L46 HydrophobicContact CE1-CB 4.19Å; F44-L46 HydrophobicContact CZ-CB 4.09Å; F44-L46 HydrophobicContact CZ-CD1 4.44Å; F44-Q60 HydrophobicContact CD2-CB 4.46Å; F44-Q60 HydrophobicContact CE2-CB 3.64Å; F44-Q60 HydrophobicContact CE2-CG 3.66Å; F44-Q60 HydrophobicContact CZ-CB 4.48Å; F44-Q60 HydrophobicContact CZ-CG 4.12Å; F44-L61 WeakPolarHBondContact CA-O 3.48Å; F44-W62 AromaticContact CD2-NE1 4Å
45A93.8Very high86.8Confident12 Ų1279.8 Ų79.810%0.09941%0.413CS..EExtended strand (participates in β ladder)trans-132.4144.9167.100000111.7V24 L61V24-A45 HydrophobicContact CG1-CB 3.48Å; V24-A45 VanDerWaalsContact CG1-CB 3.48Å; A45-L61 HydrophobicContact CB-CB 4.42Å; A45-L61 PolarHBondContact N-O 3.09Å; A45-L61 PolarHBondContact O-N 3.4Å
46L93.9Very high87.7Confident84 Ų8473.8 Ų73.844%0.4439%0.386SS..EExtended strand (participates in β ladder)trans-103.7130.4174.1-173.871.2000110F44 V48 R58 L59 Q60F44-L46 HydrophobicContact CE1-CB 4.19Å; F44-L46 HydrophobicContact CZ-CB 4.09Å; F44-L46 HydrophobicContact CZ-CD1 4.44Å; L46-V48 HydrophobicContact CD2-CG2 4.2Å; L46-V48 HydrophobicContact CG-CG2 4.27Å; L46-R58 HydrophobicContact CD1-CB 4.43Å; L46-L59 WeakPolarHBondContact CA-O 3.4Å; L46-Q60 HydrophobicContact CD1-CG 4.28Å
47K94.8Very high89.1Confident54 Ų5467.1 Ų67.124%0.23536%0.36CS..EExtended strand (participates in β ladder)trans-120.1124.1169178.862165-159.70109.5Y27 L49 L59 L61Y27-K47 HydrophobicContact CD1-CG 4.32Å; Y27-K47 HydrophobicContact CE1-CG 3.99Å; Y27-K47 VanDerWaalsContact O-CE 3.29Å; Y27-K47 WeakPolarHBondContact O-CE 3.35Å; Y27-K47 PolarHBondContact O-NZ 3.02Å; K47-L49 HydrophobicContact CD-CD2 4.26Å; K47-L49 HydrophobicContact CG-CD2 4.07Å; K47-L49 HydrophobicContact CG-CG 4.11Å; K47-L59 HydrophobicContact CB-CB 4.3Å; K47-L59 PolarHBondContact N-O 3.05Å; K47-L59 PolarHBondContact O-N 2.87Å; K47-L61 HydrophobicContact CB-CD1 4.5Å
48V95Very high90.1Very high72 Ų7262.9 Ų62.944%0.43634%0.339SS..EExtended strand (participates in β ladder)trans-105.6133.1175.7-174.20000108.9L46 I56 V57 R58L46-V48 HydrophobicContact CD2-CG2 4.2Å; L46-V48 HydrophobicContact CG-CG2 4.27Å; V48-I56 HydrophobicContact CG1-CG2 3.66Å; V48-V57 WeakPolarHBondContact CA-O 3.12Å; V48-R58 HydrophobicContact CG1-CG 4.42Å; V48-R58 HydrophobicContact CG2-CG 4.34Å
49L94.6Very high91Very high37 Ų3759.4 Ų59.419%0.19431%0.314CS..EExtended strand (participates in β ladder)trans-130.6129.9-177.2-60.2168.3000109.2K47 W51 I56 V57 L59 I170K47-L49 HydrophobicContact CD-CD2 4.26Å; K47-L49 HydrophobicContact CG-CD2 4.07Å; K47-L49 HydrophobicContact CG-CG 4.11Å; L49-W51 PolarHBondContact O-N 3.42Å; L49-I56 WeakPolarHBondContact O-CA 3.29Å; L49-V57 HydrophobicContact CB-CB 4.41Å; L49-V57 PolarHBondContact N-O 3.29Å; L49-V57 PolarHBondContact O-N 2.8Å; L49-L59 HydrophobicContact CD1-CD1 4.18Å; L49-I170 HydrophobicContact CD1-CD1 3.48Å; L49-I170 VanDerWaalsContact CD1-CD1 3.48Å
50Q94.7Very high92Very high124 Ų12460.6 Ų60.658%0.57932%0.318SS*.EExtended strand (participates in β ladder)trans-75.5110.1163.7-168.371.633.700107.6S52Q50-S52 PolarHBondContact NE2-O 3.45Å
51W93.9Very high93Very high65 Ų6554.2 Ų54.225%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-89.6-40.4-174.7-173.3-103.3000112.5L49 E55 V57 R167 I170 E171 M174L49-W51 PolarHBondContact O-N 3.42Å; W51-E55 HydrophobicContact CB-CB 4.25Å; W51-E55 PolarHBondContact N-O 3.34Å; W51-V57 HydrophobicContact CB-CG2 3.79Å; W51-V57 HydrophobicContact CD2-CG2 4.43Å; W51-V57 HydrophobicContact CG-CG2 4.05Å; W51-R167 HydrophobicContact CH2-CG 3.78Å; W51-R167 HydrophobicContact CZ3-CG 4.06Å; W51-I170 HydrophobicContact CD2-CG2 4.36Å; W51-I170 HydrophobicContact CE3-CG2 3.91Å; W51-I170 HydrophobicContact CH2-CG2 4.09Å; W51-I170 HydrophobicContact CZ3-CB 4.29Å; W51-I170 HydrophobicContact CZ3-CG2 3.75Å; W51-E171 HydrophobicContact CH2-CG 3.56Å; W51-E171 HydrophobicContact CZ2-CG 3.54Å; W51-M174 HydrophobicContact CG-CE 4.45Å
52S92.8Very high93.8Very high40 Ų4056.4 Ų56.428%0.2828%0.284SS..EExtended strand (participates in β ladder)trans-148176.5170.9710000109.3Q50 S54 E55Q50-S52 PolarHBondContact NE2-O 3.45Å; S52-S54 PolarHBondContact O-N 3.3Å; S52-S54 PolarHBondContact OG-N 3.01Å; S52-E55 PolarHBondContact N-O 2.93Å; S52-E55 PolarHBondContact O-N 3.5Å; S52-E55 WeakPolarHBondContact OG-CB 3.49Å; S52-E55 WeakPolarHBondContact OG-CG 3.22Å; S52-E55 PolarHBondContact OG-N 3.41Å; S52-E55 PolarHBondContact OG-OE2 3.1Å; S52-E55 VanDerWaalsContact OG-OE2 3.07Å
53D90.7Very high94.2Very high173 Ų17354.2 Ų54.293%0.92527%0.271SS*.THydrogen-bonded Turntrans-56.7-18.9177.6-61.6-20.5000113.7
54S93.2Very high94.3Very high44 Ų4449.9 Ų49.931%0.30825%0.248SC..THydrogen-bonded Turntrans-124.13.3-177.469.20000114.5S3 R4 S52S3-S54 CarbonylContact C-O 3.57Å; S3-S54 WeakPolarHBondContact CA-O 3.25Å; R4-S54 PolarHBondContact N-O 3.02Å; S52-S54 PolarHBondContact O-N 3.3Å; S52-S54 PolarHBondContact OG-N 3.01Å
55E94.9Very high94.1Very high12 Ų1245.5 Ų45.56%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-131.4130.3-176.6-64.6173.3118.600111.7R4 H6 W51 S52 M174 R178R4-E55 HydrophobicContact CB-CG 4.28Å; R4-E55 VanDerWaalsContact O-CA 3.32Å; R4-E55 WeakPolarHBondContact O-CA 3.35Å; H6-E55 IonicContact NE2-OE1 3.34Å; H6-E55 PolarHBondContact NE2-OE1 3.5Å; W51-E55 HydrophobicContact CB-CB 4.25Å; W51-E55 PolarHBondContact N-O 3.34Å; S52-E55 PolarHBondContact N-O 2.93Å; S52-E55 PolarHBondContact O-N 3.5Å; S52-E55 WeakPolarHBondContact OG-CB 3.49Å; S52-E55 WeakPolarHBondContact OG-CG 3.22Å; S52-E55 PolarHBondContact OG-N 3.41Å; S52-E55 PolarHBondContact OG-OE2 3.1Å; S52-E55 VanDerWaalsContact OG-OE2 3.07Å; E55-M174 WeakPolarHBondContact OE1-CE 3.2Å; E55-R178 IonicContact OE1-CZ 3.18Å; E55-R178 IonicContact OE1-NE 2.87Å; E55-R178 IonicContact OE1-NH2 3.2Å; E55-R178 PolarHBondContact OE1-NH2 3.2Å; E55-R178 IonicContact OE2-NH2 3.85Å; E55-R178 PolarHBondContact OE2-NH2 3.32Å
56I96Very high93.1Very high30 Ų3045.7 Ų45.715%0.15423%0.232CC..EExtended strand (participates in β ladder)trans-114.4131.5173-63.8174.2000108.3S3 R4 H6 V48 L49 R58S3-I56 WeakPolarHBondContact OG-CD1 3.46Å; R4-I56 PolarHBondContact O-N 3.15Å; H6-I56 PolarHBondContact N-O 3.04Å; V48-I56 HydrophobicContact CG1-CG2 3.66Å; L49-I56 WeakPolarHBondContact O-CA 3.29Å; I56-R58 HydrophobicContact CG2-CG 4.28Å
57V97.3Very high92.1Very high0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-107.6124.7174.2174.40000109.3H6 F8 V48 L49 W51 L59 I170 M174H6-V57 HydrophobicContact CB-CG2 4.32Å; F8-V57 HydrophobicContact CD2-CG1 3.93Å; F8-V57 HydrophobicContact CE2-CG1 4.26Å; V48-V57 WeakPolarHBondContact CA-O 3.12Å; L49-V57 HydrophobicContact CB-CB 4.41Å; L49-V57 PolarHBondContact N-O 3.29Å; L49-V57 PolarHBondContact O-N 2.8Å; W51-V57 HydrophobicContact CB-CG2 3.79Å; W51-V57 HydrophobicContact CD2-CG2 4.43Å; W51-V57 HydrophobicContact CG-CG2 4.05Å; V57-L59 HydrophobicContact CG1-CD2 3.71Å; V57-L59 HydrophobicContact CG1-CG 4.06Å; V57-I170 HydrophobicContact CG1-CG2 4.11Å; V57-I170 HydrophobicContact CG2-CG2 4.24Å; V57-M174 HydrophobicContact CG2-CE 4.36Å; V57-M174 HydrophobicContact CG2-CG 4.5Å; V57-M174 HydrophobicContact CG2-SD 3.77Å
58R96.8Very high90.8Very high89 Ų8948.1 Ų48.134%0.33624%0.243SC..EExtended strand (participates in β ladder)trans-109.8113.6175.3-60.4176.4-175.4-92.3-0.5108.1D5 H6 L7 F8 L46 V48 I56D5-R58 IonicContact OD2-CZ 2.8Å; D5-R58 IonicContact OD2-NE 2.7Å; D5-R58 PolarHBondContact OD2-NE 3.21Å; D5-R58 IonicContact OD2-NH2 3.01Å; D5-R58 PolarHBondContact OD2-NH2 3.07Å; H6-R58 PolarHBondContact O-N 3.44Å; L7-R58 WeakPolarHBondContact CA-O 3.19Å; L7-R58 HydrophobicContact CD1-CB 3.76Å; F8-R58 PolarHBondContact N-O 3.21Å; L46-R58 HydrophobicContact CD1-CB 4.43Å; V48-R58 HydrophobicContact CG1-CG 4.42Å; V48-R58 HydrophobicContact CG2-CG 4.34Å; I56-R58 HydrophobicContact CG2-CG 4.28Å
59L97.7Very high89.3Confident0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-99.8121.5177.3-60.9-176.8000110.5F8 V10 Y27 L46 K47 L49 V57 L61 M166 I170 M173F8-L59 HydrophobicContact CB-CD2 3.86Å; F8-L59 HydrophobicContact CD2-CD2 4.16Å; F8-L59 WeakPolarHBondContact O-CA 3.36Å; V10-L59 HydrophobicContact CG2-CD2 4.16Å; Y27-L59 HydrophobicContact CE1-CD1 3.88Å; L46-L59 WeakPolarHBondContact CA-O 3.4Å; K47-L59 HydrophobicContact CB-CB 4.3Å; K47-L59 PolarHBondContact N-O 3.05Å; K47-L59 PolarHBondContact O-N 2.87Å; L49-L59 HydrophobicContact CD1-CD1 4.18Å; V57-L59 HydrophobicContact CG1-CD2 3.71Å; V57-L59 HydrophobicContact CG1-CG 4.06Å; L59-L61 HydrophobicContact CB-CD2 4.23Å; L59-M166 HydrophobicContact CD1-CE 4.18Å; L59-I170 HydrophobicContact CD1-CD1 3.81Å; L59-I170 HydrophobicContact CD1-CG1 3.92Å; L59-I170 HydrophobicContact CD2-CG1 4.2Å; L59-M173 HydrophobicContact CD2-CE 3.97Å
60Q96.9Very high87.7Confident51 Ų5153.2 Ų53.224%0.23826%0.256CS..EExtended strand (participates in β ladder)trans-90.3105165.8-66.7-173.3-21.600108.2L7 F8 K9 V10 F44 L46L7-Q60 HydrophobicContact CD1-CG 3.82Å; F8-Q60 PolarHBondContact O-N 2.99Å; K9-Q60 HydrophobicContact CB-CB 4.49Å; V10-Q60 PolarHBondContact N-O 3.46Å; F44-Q60 HydrophobicContact CD2-CB 4.46Å; F44-Q60 HydrophobicContact CE2-CB 3.64Å; F44-Q60 HydrophobicContact CE2-CG 3.66Å; F44-Q60 HydrophobicContact CZ-CB 4.48Å; F44-Q60 HydrophobicContact CZ-CG 4.12Å; L46-Q60 HydrophobicContact CD1-CG 4.28Å
61L97.1Very high86.1Confident0 Ų049.4 Ų49.40%024%0.242CC..EExtended strand (participates in β ladder)trans-91.3116179-55.1173.4000108.7V10 V24 Y27 F44 A45 K47 L59 M166V10-L61 HydrophobicContact CB-CD2 4.15Å; V24-L61 HydrophobicContact CG1-CB 3.96Å; V24-L61 HydrophobicContact CG1-CD1 4.15Å; V24-L61 HydrophobicContact CG2-CB 4.22Å; Y27-L61 HydrophobicContact CD1-CD1 4.01Å; F44-L61 WeakPolarHBondContact CA-O 3.48Å; A45-L61 HydrophobicContact CB-CB 4.42Å; A45-L61 PolarHBondContact N-O 3.09Å; A45-L61 PolarHBondContact O-N 3.4Å; K47-L61 HydrophobicContact CB-CD1 4.5Å; L59-L61 HydrophobicContact CB-CD2 4.23Å; L61-M166 HydrophobicContact CD2-CE 3.9Å
62W95.5Very high84.7Confident59 Ų5951.8 Ų51.822%0.22327%0.268CS..EExtended strand (participates in β ladder)trans-104100.1-179.7-73.265.9000109.5K9 V10 L11 V12 V42 F44 I64 Y77K9-W62 HydrophobicContact CG-CG 4.38Å; V10-W62 PolarHBondContact O-N 2.73Å; L11-W62 HydrophobicContact CD2-CB 4.12Å; V12-W62 PolarHBondContact N-O 2.94Å; V42-W62 HydrophobicContact CG2-CE3 3.69Å; V42-W62 HydrophobicContact CG2-CZ3 4.28Å; F44-W62 AromaticContact CD2-NE1 4Å; W62-I64 PolarHBondContact O-N 3.37Å; W62-Y77 HydrophobicContact CZ3-CD1 4.38Å
63D93.7Very high83.5Confident2 Ų254.1 Ų54.11%0.01128%0.276CS..EExtended strand (participates in β ladder)trans-79.8106.6174.6-179.330.3000109.5K20 T21 V24 T39 V42 D43K20-D63 WeakPolarHBondContact CB-OD1 3.47Å; T21-D63 VanDerWaalsContact CA-OD2 3.29Å; T21-D63 WeakPolarHBondContact CA-OD2 3.32Å; T21-D63 VanDerWaalsContact CB-OD2 3.23Å; T21-D63 WeakPolarHBondContact CB-OD2 3.47Å; T21-D63 WeakPolarHBondContact CG2-OD2 3.42Å; T21-D63 PolarHBondContact OG1-OD2 3.49Å; V24-D63 HydrophobicContact CG2-CB 4.15Å; T39-D63 PolarHBondContact OG1-OD2 3.42Å; V42-D63 WeakPolarHBondContact CA-O 3.29Å; D43-D63 HydrophobicContact CB-CB 4.35Å; D43-D63 PolarHBondContact N-O 2.89Å; D43-D63 PolarHBondContact O-N 3.22Å
64I89.8Confident82.7Confident1 Ų146 Ų461%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-96.6127.9-179.1-59.8179.2000108.8L11 V12 V13 K20 V42 W62 G66 E68 Y78L11-I64 HydrophobicContact CD2-CD1 4.13Å; V12-I64 PolarHBondContact O-N 2.78Å; V13-I64 HydrophobicContact CG1-CB 4.22Å; V13-I64 HydrophobicContact CG1-CD1 3.92Å; V13-I64 HydrophobicContact CG1-CG1 4.41Å; K20-I64 WeakPolarHBondContact CE-O 3.49Å; V42-I64 HydrophobicContact CG2-CG1 4.14Å; W62-I64 PolarHBondContact O-N 3.37Å; I64-G66 PolarHBondContact O-N 3.19Å; I64-E68 HydrophobicContact CG2-CB 4.01Å; I64-Y78 HydrophobicContact CD1-CD1 3.93Å; I64-Y78 HydrophobicContact CD1-CE1 3.67Å
65A83.5Confident82.1Confident6 Ų652.5 Ų52.55%0.0525%0.25CS..  trans-58.2138.4178.700000111.5T39 G41 Q67 E68T39-A65 HydrophobicContact CG2-CB 4.18Å; T39-A65 WeakPolarHBondContact O-CB 3.43Å; G41-A65 VanDerWaalsContact O-CB 3.22Å; G41-A65 WeakPolarHBondContact O-CB 3.42Å; G41-A65 PolarHBondContact O-N 2.86Å; A65-Q67 PolarHBondContact O-N 3.17Å; A65-Q67 VanDerWaalsContact O-N 3.07Å; A65-E68 HydrophobicContact CB-CG 3.78Å; A65-E68 WeakPolarHBondContact O-CB 3.31Å; A65-E68 PolarHBondContact O-N 3.21Å
66G72.3Confident81.5Confident16 Ų1657.7 Ų57.717%0.16528%0.278CS..THydrogen-bonded Turntrans-67.2-14.2-171.500000114.9G14 I64G14-G66 VanDerWaalsContact O-CA 3.3Å; G14-G66 WeakPolarHBondContact O-CA 3.47Å; I64-G66 PolarHBondContact O-N 3.19Å
67Q72.1Confident81.1Confident152 Ų15257.6 Ų57.671%0.7128%0.275SS*.THydrogen-bonded Turntrans-89.4-12.8175.3-61.5-162.85.100113.2A65 R69A65-Q67 PolarHBondContact O-N 3.17Å; A65-Q67 VanDerWaalsContact O-N 3.07Å; Q67-R69 PolarHBondContact O-N 3.31Å; Q67-R69 VanDerWaalsContact O-N 3.16Å
68E69.3Low80.8Confident38 Ų3857.7 Ų57.718%0.17828%0.276CS..G310 helixtrans-73.5-7.3-173-69-66.2145.300113.8I64 A65 F70 T71 T74I64-E68 HydrophobicContact CG2-CB 4.01Å; A65-E68 HydrophobicContact CB-CG 3.78Å; A65-E68 WeakPolarHBondContact O-CB 3.31Å; A65-E68 PolarHBondContact O-N 3.21Å; E68-F70 PolarHBondContact O-N 2.9Å; E68-T71 PolarHBondContact O-N 2.97Å; E68-T71 PolarHBondContact O-OG1 2.83Å; E68-T71 WeakPolarHBondContact OE2-CG2 3.39Å; E68-T71 PolarHBondContact OE2-OG1 2.83Å; E68-T74 PolarHBondContact O-OG1 2.77Å
69R62.4Low80.5Confident41 Ų4161.2 Ų61.216%0.15529%0.289CS..G310 helixtrans-51.9-28-177.4-171.1167.8168.8-116.6-15.5114.6Q67 R101 W102Q67-R69 PolarHBondContact O-N 3.31Å; Q67-R69 VanDerWaalsContact O-N 3.16Å; R69-R101 PolarHBondContact NE-O 2.96Å; R69-R101 VanDerWaalsContact NH2-C 3.34Å; R69-R101 VanDerWaalsContact NH2-CG 3.32Å; R69-R101 PolarHBondContact NH2-O 2.94Å; R69-W102 HydrophobicContact CB-CH2 3.57Å; R69-W102 HydrophobicContact CB-CZ2 3.87Å; R69-W102 HydrophobicContact CB-CZ3 3.92Å; R69-W102 HydrophobicContact CG-CE3 4.24Å; R69-W102 HydrophobicContact CG-CH2 4.13Å; R69-W102 HydrophobicContact CG-CZ2 4.36Å; R69-W102 HydrophobicContact CG-CZ3 4.04Å
70F60.9Low80.1Confident174 Ų17466.8 Ų66.876%0.76332%0.319SS*.G310 helixtrans-98.61.6-176.7-56.3-70.5000113.8E68E68-F70 PolarHBondContact O-N 2.9Å
71T62.1Low80.1Confident45 Ų4564.6 Ų64.628%0.27631%0.309SS..SBendtrans-89.1142.4-177.671.90000110.9E68 M73 T74E68-T71 PolarHBondContact O-N 2.97Å; E68-T71 PolarHBondContact O-OG1 2.83Å; E68-T71 WeakPolarHBondContact OE2-CG2 3.39Å; E68-T71 PolarHBondContact OE2-OG1 2.83Å; T71-M73 PolarHBondContact O-N 3.19Å; T71-M73 VanDerWaalsContact O-N 3.12Å; T71-T74 WeakPolarHBondContact O-CB 3.45Å; T71-T74 PolarHBondContact O-N 3.5Å; T71-T74 PolarHBondContact O-OG1 3.45Å
72S64.5Low80.1Confident115 Ų11565.9 Ų65.980%0.80432%0.319SS*.THydrogen-bonded Turntrans-57.6-23.1174.250.40000112.6T74S72-T74 PolarHBondContact O-N 3.34Å
73M67.8Low80.2Confident89 Ų8963.1 Ų63.144%0.43831%0.308SS..THydrogen-bonded Turntrans-67.2-19.6177.2-62.3178.776.200113.5T71 R75 L76 Y77T71-M73 PolarHBondContact O-N 3.19Å; T71-M73 VanDerWaalsContact O-N 3.12Å; M73-R75 PolarHBondContact O-N 3.34Å; M73-R75 VanDerWaalsContact O-N 3.15Å; M73-L76 WeakPolarHBondContact O-CA 3.46Å; M73-L76 WeakPolarHBondContact O-CB 3.14Å; M73-L76 PolarHBondContact O-N 3.29Å; M73-Y77 HydrophobicContact CB-CE2 3.8Å; M73-Y77 WeakPolarHBondContact CE-OH 3.25Å; M73-Y77 PolarHBondContact O-N 3.25Å
74T74.1Confident80.4Confident1 Ų163 Ų631%0.00631%0.308CS..Hα-helixtrans-54.5-38.3-178.4-54.90000113E68 T71 S72 L76 Y77 Y78 K109E68-T74 PolarHBondContact O-OG1 2.77Å; T71-T74 WeakPolarHBondContact O-CB 3.45Å; T71-T74 PolarHBondContact O-N 3.5Å; T71-T74 PolarHBondContact O-OG1 3.45Å; S72-T74 PolarHBondContact O-N 3.34Å; T74-L76 VanDerWaalsContact C-N 3.29Å; T74-L76 PolarHBondContact O-N 2.83Å; T74-Y77 PolarHBondContact O-N 3.05Å; T74-Y78 HydrophobicContact CG2-CD1 4.01Å; T74-Y78 HydrophobicContact CG2-CD2 4.31Å; T74-Y78 HydrophobicContact CG2-CE1 3.49Å; T74-Y78 VanDerWaalsContact CG2-CE1 3.49Å; T74-Y78 HydrophobicContact CG2-CE2 3.81Å; T74-Y78 HydrophobicContact CG2-CG 4.39Å; T74-Y78 WeakPolarHBondContact O-CD1 3.37Å; T74-Y78 PolarHBondContact O-N 2.86Å; T74-K109 HydrophobicContact CG2-CD 4.4Å; T74-K109 VanDerWaalsContact CG2-NZ 3.32Å
75R78.6Confident80.9Confident182 Ų18263 Ų6369%0.68731%0.307SS*.Hα-helixtrans-61.9-37176.8-72.3-172.3-169.5-140.32.4112.4M73 Y78 R79 K109M73-R75 PolarHBondContact O-N 3.34Å; M73-R75 VanDerWaalsContact O-N 3.15Å; R75-Y78 PolarHBondContact O-N 2.91Å; R75-R79 PolarHBondContact O-N 3.01Å; R75-K109 HydrophobicContact CG-CD 3.93Å; R75-K109 HydrophobicContact CG-CG 4.11Å
76L84.2Confident81.6Confident121 Ų12162.7 Ų62.763%0.63431%0.305SS*.Hα-helixtrans-67.9-39.4178.7-60173.6000110.9M73 T74M73-L76 WeakPolarHBondContact O-CA 3.46Å; M73-L76 WeakPolarHBondContact O-CB 3.14Å; M73-L76 PolarHBondContact O-N 3.29Å; T74-L76 VanDerWaalsContact C-N 3.29Å; T74-L76 PolarHBondContact O-N 2.83Å
77Y86.8Confident82.8Confident27 Ų2761.9 Ų61.911%0.10630%0.297CS..Hα-helixtrans-68.2-36.8177.8-56.5-40.5000112.4K9 L11 V42 W62 M73 T74K9-Y77 WeakPolarHBondContact CE-O 3.47Å; K9-Y77 PolarHBondContact NZ-O 3.44Å; L11-Y77 WeakPolarHBondContact CD2-O 3.34Å; V42-Y77 HydrophobicContact CB-CD1 4.29Å; V42-Y77 HydrophobicContact CB-CE1 4.05Å; V42-Y77 HydrophobicContact CG1-CD1 3.99Å; V42-Y77 HydrophobicContact CG1-CE1 3.51Å; V42-Y77 HydrophobicContact CG2-CD1 4.49Å; W62-Y77 HydrophobicContact CZ3-CD1 4.38Å; M73-Y77 HydrophobicContact CB-CE2 3.8Å; M73-Y77 WeakPolarHBondContact CE-OH 3.25Å; M73-Y77 PolarHBondContact O-N 3.25Å; T74-Y77 PolarHBondContact O-N 3.05Å
78Y90.3Very high84.1Confident2 Ų254.7 Ų54.71%0.00826%0.263CS..Hα-helixtrans-77.1-26.9-176.5-71.912.7000113.2L11 V13 I64 T74 R75 D80 A81 D105 L106 K109 L110L11-Y78 HydrophobicContact CD1-CD1 3.57Å; L11-Y78 HydrophobicContact CD1-CD2 4.46Å; L11-Y78 HydrophobicContact CD1-CE1 4.13Å; L11-Y78 HydrophobicContact CD1-CG 3.77Å; L11-Y78 HydrophobicContact CD2-CD1 4.43Å; V13-Y78 HydrophobicContact CG1-CE1 4.27Å; I64-Y78 HydrophobicContact CD1-CD1 3.93Å; I64-Y78 HydrophobicContact CD1-CE1 3.67Å; T74-Y78 HydrophobicContact CG2-CD1 4.01Å; T74-Y78 HydrophobicContact CG2-CD2 4.31Å; T74-Y78 HydrophobicContact CG2-CE1 3.49Å; T74-Y78 VanDerWaalsContact CG2-CE1 3.49Å; T74-Y78 HydrophobicContact CG2-CE2 3.81Å; T74-Y78 HydrophobicContact CG2-CG 4.39Å; T74-Y78 WeakPolarHBondContact O-CD1 3.37Å; T74-Y78 PolarHBondContact O-N 2.86Å; R75-Y78 PolarHBondContact O-N 2.91Å; Y78-D80 PolarHBondContact O-N 3.04Å; Y78-A81 VanDerWaalsContact O-CB 3.27Å; Y78-A81 WeakPolarHBondContact O-CB 3.32Å; Y78-A81 PolarHBondContact O-N 3.13Å; Y78-D105 WeakPolarHBondContact CE2-OD2 3.45Å; Y78-D105 PolarHBondContact OH-OD2 2.91Å; Y78-L106 HydrophobicContact CD2-CD1 4.13Å; Y78-L106 HydrophobicContact CE2-CB 4.37Å; Y78-L106 HydrophobicContact CE2-CD1 4.32Å; Y78-K109 HydrophobicContact CD2-CB 4.11Å; Y78-K109 HydrophobicContact CD2-CD 3.97Å; Y78-K109 HydrophobicContact CE2-CD 4.07Å; Y78-L110 VanDerWaalsContact O-CD2 3.29Å; Y78-L110 WeakPolarHBondContact O-CD2 3.44Å
79R90Very high85.5Confident164 Ų16453.5 Ų53.562%0.61926%0.258SS*.THydrogen-bonded Turntrans-47.1132.9-175.9-166.5-169.4168.4153.84111.9K9 R75 A81K9-R79 PolarHBondContact NZ-O 3.44Å; R75-R79 PolarHBondContact O-N 3.01Å; R79-A81 PolarHBondContact O-N 3.17Å
80D91.3Very high87.2Confident117 Ų11751.6 Ų51.663%0.62625%0.251SS*.THydrogen-bonded Turntrans61.419176.8-47.5-40.7000114.6Y78Y78-D80 PolarHBondContact O-N 3.04Å
81A96.2Very high89Confident4 Ų445.9 Ų45.93%0.03323%0.231CC..  trans-71.2134.6172.800000111.9K9 L11 Y78 R79 L110K9-A81 HydrophobicContact CD-CB 4.35Å; K9-A81 HydrophobicContact CG-CB 4.11Å; L11-A81 HydrophobicContact CD1-CB 3.69Å; L11-A81 HydrophobicContact CD2-CB 3.91Å; L11-A81 HydrophobicContact CG-CB 3.51Å; Y78-A81 VanDerWaalsContact O-CB 3.27Å; Y78-A81 WeakPolarHBondContact O-CB 3.32Å; Y78-A81 PolarHBondContact O-N 3.13Å; R79-A81 PolarHBondContact O-N 3.17Å; A81-L110 HydrophobicContact CB-CD2 3.7Å
82S97Very high90.7Very high28 Ų2847 Ų4720%0.19624%0.235CC..SBendtrans-89.1-25.2-179.2-42.70000112.3K9K9-S82 PolarHBondContact N-OG 3.26Å; K9-S82 PolarHBondContact O-N 2.91Å
83A98Very high92.2Very high0 Ų043.7 Ų43.70%021%0.214CC..EExtended strand (participates in β ladder)trans-155.3167.1175.600000111.6K9 V10 L11 P119 L169 M173K9-A83 PolarHBondContact O-N 3.28Å; V10-A83 WeakPolarHBondContact CA-O 3.42Å; L11-A83 PolarHBondContact N-O 2.88Å; A83-P119 CarbonylContact C-O 3.57Å; A83-P119 WeakPolarHBondContact CA-O 3.48Å; A83-L169 HydrophobicContact CB-CD1 3.77Å; A83-L169 HydrophobicContact CB-CD2 3.86Å; A83-L169 HydrophobicContact CB-CG 3.75Å; A83-M173 HydrophobicContact CB-CE 4.31Å; A83-M173 HydrophobicContact CB-CG 3.8Å; A83-M173 HydrophobicContact CB-SD 3.35Å; A83-M173 WeakPolarHBondContact CB-SD 3.32Å
84C98.1Very high93.7Very high0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-133.4141.7174.1-174.50000111.4L11 L106 P119 C120 L121L11-C84 HydrophobicContact CB-CB 4.32Å; L11-C84 CarbonylContact O-C 3.6Å; C84-L106 HydrophobicContact CB-CD1 4.09Å; C84-L106 HydrophobicContact CB-CD2 3.45Å; C84-L106 VanDerWaalsContact CB-CD2 3.45Å; C84-L106 HydrophobicContact CB-CG 4.43Å; C84-P119 PolarHBondContact N-O 3.4Å; C84-C120 HydrophobicContact CB-CB 4.49Å; C84-C120 CarbonylContact O-C 3.39Å; C84-C120 VanDerWaalsContact O-CA 3.26Å; C84-C120 WeakPolarHBondContact O-CA 3.32Å; C84-L121 PolarHBondContact O-N 3.29Å
85V98.6Very high94.8Very high0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-110.9119.8167.3175.10000107.3V10 L11 V12 V13 M87 L121 L123 M166 L169V10-V85 HydrophobicContact CG1-CG2 4.04Å; L11-V85 PolarHBondContact O-N 3.44Å; V12-V85 WeakPolarHBondContact CA-O 3.42Å; V12-V85 HydrophobicContact CG2-CB 4.5Å; V13-V85 PolarHBondContact N-O 3.03Å; V85-M87 HydrophobicContact CG1-CG 3.84Å; V85-L121 WeakPolarHBondContact CA-O 3.44Å; V85-L123 HydrophobicContact CG1-CD1 3.42Å; V85-L123 VanDerWaalsContact CG1-CD1 3.42Å; V85-L123 HydrophobicContact CG1-CG 3.75Å; V85-M166 HydrophobicContact CG2-SD 4.18Å; V85-L169 HydrophobicContact CG2-CD2 3.56Å
86I98.4Very high95.7Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-103.9123.1171.8-58.1-172.3000107.6V13 W102 K103 C120 L121 L122 L123 F148V13-I86 HydrophobicContact CG2-CB 4.39Å; V13-I86 HydrophobicContact CG2-CD1 4.31Å; V13-I86 HydrophobicContact CG2-CG1 3.64Å; V13-I86 WeakPolarHBondContact O-CA 3.12Å; I86-W102 HydrophobicContact CD1-CB 3.89Å; I86-W102 HydrophobicContact CG2-CB 4.08Å; I86-K103 HydrophobicContact CD1-CB 3.91Å; I86-K103 HydrophobicContact CD1-CD 4.26Å; I86-C120 VanDerWaalsContact CD1-SG 3.57Å; I86-C120 VanDerWaalsContact CG1-SG 3.59Å; I86-L121 PolarHBondContact N-O 3.26Å; I86-L122 HydrophobicContact CB-CD1 4.31Å; I86-L122 HydrophobicContact CG2-CD1 4.15Å; I86-L122 CarbonylContact O-C 3.58Å; I86-L122 WeakPolarHBondContact O-CA 3.36Å; I86-L123 PolarHBondContact O-N 3.21Å; I86-F148 HydrophobicContact CB-CE1 4Å; I86-F148 HydrophobicContact CD1-CE1 3.75Å; I86-F148 HydrophobicContact CD1-CZ 4.02Å; I86-F148 HydrophobicContact CG1-CE1 4.13Å
87M98.4Very high96.3Very high0 Ų033.7 Ų33.70%019%0.185CC..EExtended strand (participates in β ladder)trans-110.8142.8-179.1-57.9-172.267.100111.4V12 V13 V18 K20 L23 V85 L123 N125 V156V12-M87 HydrophobicContact CG1-CG 4.38Å; V12-M87 HydrophobicContact CG1-SD 3.89Å; V13-M87 PolarHBondContact O-N 2.91Å; V18-M87 HydrophobicContact CG2-CB 3.8Å; K20-M87 HydrophobicContact CB-SD 4.31Å; K20-M87 HydrophobicContact CG-CB 4.32Å; K20-M87 HydrophobicContact CG-CG 4.45Å; K20-M87 HydrophobicContact CG-SD 4.02Å; L23-M87 HydrophobicContact CB-CE 3.94Å; L23-M87 HydrophobicContact CB-SD 3.89Å; L23-M87 HydrophobicContact CD1-CE 3.61Å; L23-M87 HydrophobicContact CD1-SD 3.79Å; L23-M87 HydrophobicContact CD2-SD 4.45Å; L23-M87 HydrophobicContact CG-CE 4.38Å; L23-M87 HydrophobicContact CG-SD 4.25Å; V85-M87 HydrophobicContact CG1-CG 3.84Å; M87-L123 HydrophobicContact CE-CD1 4.49Å; M87-L123 HydrophobicContact CG-CB 4.13Å; M87-L123 HydrophobicContact CG-CD1 4.28Å; M87-N125 HydrophobicContact CE-CB 3.7Å; M87-N125 WeakPolarHBondContact CE-ND2 3.22Å; M87-V156 HydrophobicContact CE-CG2 4.28Å
88F98.6Very high96.8Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-135.1165.7166.176.2-85.9000111.2V90 T95 F96 L122 L123 A124 N125 V134 I139F88-V90 HydrophobicContact CE2-CG1 4.08Å; F88-V90 HydrophobicContact CZ-CG1 4.45Å; F88-T95 WeakPolarHBondContact CB-O 3.5Å; F88-F96 HydrophobicContact CD1-CD2 4.12Å; F88-F96 HydrophobicContact CD2-CB 3.67Å; F88-F96 HydrophobicContact CD2-CD2 4.07Å; F88-F96 HydrophobicContact CD2-CG 4.34Å; F88-F96 AromaticContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CE2 4.35Å; F88-F96 HydrophobicContact CE2-CB 3.95Å; F88-F96 AromaticContact CE2-CD2 3.77Å; F88-F96 HydrophobicContact CE2-CD2 3.77Å; F88-F96 HydrophobicContact CE2-CG 4.22Å; F88-F96 HydrophobicContact CG-CB 4.16Å; F88-F96 HydrophobicContact CG-CD2 4.23Å; F88-F96 AromaticContact CZ-CD2 3.62Å; F88-F96 HydrophobicContact CZ-CD2 3.62Å; F88-F96 HydrophobicContact CZ-CE2 4.21Å; F88-F96 HydrophobicContact CZ-CG 4.48Å; F88-L122 HydrophobicContact CD1-CD1 3.78Å; F88-L122 HydrophobicContact CD1-CG 4.18Å; F88-L122 HydrophobicContact CE1-CD1 4.1Å; F88-L122 HydrophobicContact CE1-CD2 4.16Å; F88-L122 HydrophobicContact CE1-CG 3.98Å; F88-L123 WeakPolarHBondContact CD1-O 3.29Å; F88-L123 PolarHBondContact N-O 3.1Å; F88-A124 VanDerWaalsContact CE1-CA 3.49Å; F88-A124 HydrophobicContact CE1-CB 3.6Å; F88-A124 HydrophobicContact CE2-CB 4.2Å; F88-A124 HydrophobicContact CZ-CB 3.36Å; F88-N125 WeakPolarHBondContact O-CB 3.48Å; F88-N125 PolarHBondContact O-N 3.46Å; F88-V134 HydrophobicContact CE2-CG2 3.77Å; F88-V134 HydrophobicContact CZ-CG2 4.28Å; F88-I139 HydrophobicContact CE1-CG2 4.45Å; F88-I139 HydrophobicContact CZ-CD1 3.85Å; F88-I139 HydrophobicContact CZ-CG1 3.97Å; F88-I139 HydrophobicContact CZ-CG2 4.42Å
89D98.4Very high97.1Very high14 Ų1433.4 Ų33.48%0.07519%0.185CC..EExtended strand (participates in β ladder)trans-96.6119.4176.8-178.2-9.7000109.8V18 T91 N92 T95 K126V18-D89 HydrophobicContact CG1-CB 4.38Å; D89-T91 PolarHBondContact O-N 2.83Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 2.9Å; D89-T91 PolarHBondContact OD1-OG1 3.18Å; D89-T91 VanDerWaalsContact OD1-OG1 3.09Å; D89-N92 HydrophobicContact CB-CB 4.22Å; D89-N92 CarbonylContact O-C 3.58Å; D89-N92 PolarHBondContact O-N 2.78Å; D89-T95 PolarHBondContact N-OG1 3.45Å; D89-T95 PolarHBondContact O-OG1 3.32Å; D89-K126 HydrophobicContact CB-CD 4.48Å; D89-K126 WeakPolarHBondContact OD2-CD 3.43Å; D89-K126 VanDerWaalsContact OD2-CE 3.29Å; D89-K126 WeakPolarHBondContact OD2-CE 3.21Å; D89-K126 IonicContact OD2-NZ 3Å; D89-K126 PolarHBondContact OD2-NZ 3Å
90V98.6Very high97.4Very high0 Ų029.1 Ų29.10%017%0.172CC..THydrogen-bonded Turntrans-60.4-21.5-178.8-63.30000113.7F88 N92 A124 N125 K126 W132 A133F88-V90 HydrophobicContact CE2-CG1 4.08Å; F88-V90 HydrophobicContact CZ-CG1 4.45Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-A124 HydrophobicContact CG1-CB 3.7Å; V90-N125 WeakPolarHBondContact CG1-O 3.48Å; V90-N125 WeakPolarHBondContact CG2-O 3.45Å; V90-N125 PolarHBondContact N-O 3.23Å; V90-K126 WeakPolarHBondContact CG2-O 3.44Å; V90-W132 HydrophobicContact CB-CD2 3.77Å; V90-W132 HydrophobicContact CB-CE3 4.07Å; V90-W132 HydrophobicContact CB-CG 3.99Å; V90-W132 HydrophobicContact CG1-CD2 4.14Å; V90-W132 HydrophobicContact CG1-CE3 4.04Å; V90-W132 HydrophobicContact CG1-CH2 4.25Å; V90-W132 HydrophobicContact CG1-CZ2 4.37Å; V90-W132 HydrophobicContact CG1-CZ3 4.08Å; V90-W132 HydrophobicContact CG2-CD2 4Å; V90-W132 HydrophobicContact CG2-CG 4.03Å; V90-W132 HydrophobicContact CG2-CZ2 4.47Å; V90-A133 PolarHBondContact O-N 3.29Å
91T98.2Very high97.6Very high55 Ų5529.4 Ų29.434%0.33716%0.164SC..THydrogen-bonded Turntrans-87.3-0.9177.477.20000112.7D89 L129D89-T91 PolarHBondContact O-N 2.83Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 PolarHBondContact OD1-N 2.9Å; D89-T91 PolarHBondContact OD1-OG1 3.18Å; D89-T91 VanDerWaalsContact OD1-OG1 3.09Å; T91-L129 HydrophobicContact CG2-CB 3.51Å; T91-L129 HydrophobicContact CG2-CD1 4.09Å; T91-L129 HydrophobicContact CG2-CG 4.45Å
92N97.8Very high97.5Very high67 Ų6729.2 Ų29.236%0.35816%0.163SC..  trans-134.297.9-176.2-172-21.3000112.1D89 V90 T94 T95 F96D89-N92 HydrophobicContact CB-CB 4.22Å; D89-N92 CarbonylContact O-C 3.58Å; D89-N92 PolarHBondContact O-N 2.78Å; V90-N92 VanDerWaalsContact C-N 3.31Å; N92-T94 PolarHBondContact O-N 2.96Å; N92-T94 VanDerWaalsContact O-N 3.14Å; N92-T94 WeakPolarHBondContact OD1-CB 3.26Å; N92-T94 PolarHBondContact OD1-N 3.46Å; N92-T94 VanDerWaalsContact OD1-N 3.09Å; N92-T95 HydrophobicContact CB-CG2 4.08Å; N92-T95 PolarHBondContact O-N 3.5Å; N92-T95 PolarHBondContact O-OG1 3.4Å; N92-F96 PolarHBondContact O-N 3.05Å
93A97.7Very high97.5Very high46 Ų4628 Ų2838%0.3815%0.154SC..Hα-helixtrans-58.7-26.4-179.200000114.3T95 F96 S97 A133 V134A93-T95 VanDerWaalsContact C-N 3.35Å; A93-F96 WeakPolarHBondContact O-CB 3.2Å; A93-F96 PolarHBondContact O-N 2.96Å; A93-S97 PolarHBondContact O-N 2.84Å; A93-A133 HydrophobicContact CB-CB 3.96Å; A93-V134 HydrophobicContact CB-CG1 4.3Å
94T97.6Very high97.4Very high89 Ų8933 Ų3355%0.54618%0.177SC..Hα-helixtrans-64.7-41.4176.3-57.70000111.1N92 F96 S97 N98N92-T94 PolarHBondContact O-N 2.96Å; N92-T94 VanDerWaalsContact O-N 3.14Å; N92-T94 WeakPolarHBondContact OD1-CB 3.26Å; N92-T94 PolarHBondContact OD1-N 3.46Å; N92-T94 VanDerWaalsContact OD1-N 3.09Å; T94-F96 VanDerWaalsContact C-N 3.29Å; T94-F96 PolarHBondContact O-N 2.99Å; T94-S97 PolarHBondContact O-N 2.7Å; T94-N98 WeakPolarHBondContact O-CB 3.44Å; T94-N98 PolarHBondContact O-N 2.99Å; T94-N98 PolarHBondContact O-ND2 2.67Å
95T97.8Very high97.1Very high8 Ų834.1 Ų34.15%0.04918%0.183CC..Hα-helixtrans-67.8-32.9178.769.30000111.8D15 V18 F88 D89 N92 A93 S99D15-T95 HydrophobicContact CB-CG2 3.96Å; V18-T95 HydrophobicContact CG1-CG2 3.81Å; F88-T95 WeakPolarHBondContact CB-O 3.5Å; D89-T95 PolarHBondContact N-OG1 3.45Å; D89-T95 PolarHBondContact O-OG1 3.32Å; N92-T95 HydrophobicContact CB-CG2 4.08Å; N92-T95 PolarHBondContact O-N 3.5Å; N92-T95 PolarHBondContact O-OG1 3.4Å; A93-T95 VanDerWaalsContact C-N 3.35Å; T95-S99 PolarHBondContact O-N 2.82Å; T95-S99 PolarHBondContact O-OG 2.91Å
96F98.4Very high96.9Very high22 Ų2234.1 Ų34.110%0.09618%0.184CC..Hα-helixtrans-64.9-51.9171.8174.8-113.4000111.3F88 N92 A93 T94 N98 S99 V134 I139 F142F88-F96 HydrophobicContact CD1-CD2 4.12Å; F88-F96 HydrophobicContact CD2-CB 3.67Å; F88-F96 HydrophobicContact CD2-CD2 4.07Å; F88-F96 HydrophobicContact CD2-CG 4.34Å; F88-F96 AromaticContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CE2 4.35Å; F88-F96 HydrophobicContact CE2-CB 3.95Å; F88-F96 AromaticContact CE2-CD2 3.77Å; F88-F96 HydrophobicContact CE2-CD2 3.77Å; F88-F96 HydrophobicContact CE2-CG 4.22Å; F88-F96 HydrophobicContact CG-CB 4.16Å; F88-F96 HydrophobicContact CG-CD2 4.23Å; F88-F96 AromaticContact CZ-CD2 3.62Å; F88-F96 HydrophobicContact CZ-CD2 3.62Å; F88-F96 HydrophobicContact CZ-CE2 4.21Å; F88-F96 HydrophobicContact CZ-CG 4.48Å; N92-F96 PolarHBondContact O-N 3.05Å; A93-F96 WeakPolarHBondContact O-CB 3.2Å; A93-F96 PolarHBondContact O-N 2.96Å; T94-F96 VanDerWaalsContact C-N 3.29Å; T94-F96 PolarHBondContact O-N 2.99Å; F96-N98 VanDerWaalsContact C-N 3.29Å; F96-N98 PolarHBondContact O-N 3.47Å; F96-S99 WeakPolarHBondContact O-CB 3.4Å; F96-S99 PolarHBondContact O-N 2.8Å; F96-S99 PolarHBondContact O-OG 3.01Å; F96-V134 HydrophobicContact CB-CG1 4.02Å; F96-V134 HydrophobicContact CD1-CB 4.5Å; F96-V134 HydrophobicContact CD1-CG1 3.59Å; F96-V134 HydrophobicContact CE1-CG1 4.19Å; F96-V134 HydrophobicContact CG-CG1 3.85Å; F96-I139 HydrophobicContact CE2-CB 4.32Å; F96-I139 HydrophobicContact CE2-CG1 3.94Å; F96-I139 HydrophobicContact CE2-CG2 4.32Å; F96-I139 HydrophobicContact CZ-CG1 4.33Å; F96-F142 HydrophobicContact CE1-CB 4.5Å; F96-F142 HydrophobicContact CE1-CD2 4.23Å; F96-F142 HydrophobicContact CE1-CG 4.35Å; F96-F142 HydrophobicContact CE2-CB 4.11Å; F96-F142 AromaticContact CE2-CD1 3.72Å; F96-F142 HydrophobicContact CE2-CD1 3.72Å; F96-F142 HydrophobicContact CE2-CD2 4.34Å; F96-F142 HydrophobicContact CE2-CE1 4.16Å; F96-F142 AromaticContact CE2-CG 3.81Å; F96-F142 HydrophobicContact CE2-CG 3.81Å; F96-F142 HydrophobicContact CZ-CB 3.54Å; F96-F142 AromaticContact CZ-CD1 3.93Å; F96-F142 HydrophobicContact CZ-CD1 3.93Å; F96-F142 AromaticContact CZ-CD2 3.83Å; F96-F142 HydrophobicContact CZ-CD2 3.83Å; F96-F142 HydrophobicContact CZ-CE2 4.46Å; F96-F142 AromaticContact CZ-CG 3.5Å; F96-F142 HydrophobicContact CZ-CG 3.5Å; F96-F142 VanDerWaalsContact CZ-CG 3.5Å
97S97.2Very high96.8Very high65 Ų6536.1 Ų36.146%0.45519%0.194SC..Hα-helixtrans-57.6-42.1177.4-1800000112.1A93 T94 S99 Q100A93-S97 PolarHBondContact O-N 2.84Å; T94-S97 PolarHBondContact O-N 2.7Å; S97-S99 PolarHBondContact O-N 3.09Å; S97-Q100 PolarHBondContact O-N 3.2Å
98N96.6Very high96.5Very high22 Ų2240.3 Ų40.312%0.11822%0.224CC..Hα-helixtrans-67-15.5176.7-76.3-25.8000114D15 T94 F96 Q100 R101 W102D15-N98 WeakPolarHBondContact OD1-CB 3.45Å; D15-N98 WeakPolarHBondContact OD2-CB 3.45Å; D15-N98 PolarHBondContact OD2-ND2 3.32Å; T94-N98 WeakPolarHBondContact O-CB 3.44Å; T94-N98 PolarHBondContact O-N 2.99Å; T94-N98 PolarHBondContact O-ND2 2.67Å; F96-N98 VanDerWaalsContact C-N 3.29Å; F96-N98 PolarHBondContact O-N 3.47Å; N98-Q100 VanDerWaalsContact C-N 3.26Å; N98-Q100 PolarHBondContact O-N 3.26Å; N98-R101 WeakPolarHBondContact O-CA 3.34Å; N98-R101 WeakPolarHBondContact O-CB 3.35Å; N98-R101 PolarHBondContact O-N 2.92Å; N98-R101 VanDerWaalsContact O-N 3.17Å; N98-R101 PolarHBondContact OD1-NH1 2.89Å; N98-W102 PolarHBondContact O-N 3.3Å
99S97.1Very high96.1Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-63.7-31176.7-62.60000112.7T95 F96 S97 R101 W102 K103T95-S99 PolarHBondContact O-N 2.82Å; T95-S99 PolarHBondContact O-OG 2.91Å; F96-S99 WeakPolarHBondContact O-CB 3.4Å; F96-S99 PolarHBondContact O-N 2.8Å; F96-S99 PolarHBondContact O-OG 3.01Å; S97-S99 PolarHBondContact O-N 3.09Å; S99-R101 VanDerWaalsContact C-N 3.29Å; S99-R101 PolarHBondContact O-N 3.03Å; S99-W102 PolarHBondContact O-N 3.24Å; S99-K103 PolarHBondContact O-N 3.28Å
100Q96.6Very high95.9Very high74 Ų7443.3 Ų43.335%0.34624%0.237SC..Hα-helixtrans-64.9-43.3176.1165.4175.963.200109.8S97 N98 W102 K103 Q104 F142 N146S97-Q100 PolarHBondContact O-N 3.2Å; N98-Q100 VanDerWaalsContact C-N 3.26Å; N98-Q100 PolarHBondContact O-N 3.26Å; Q100-W102 VanDerWaalsContact C-N 3.32Å; Q100-W102 PolarHBondContact O-N 3.42Å; Q100-K103 WeakPolarHBondContact O-CB 3.3Å; Q100-K103 PolarHBondContact O-N 3.04Å; Q100-K103 VanDerWaalsContact O-N 3.13Å; Q100-Q104 HydrophobicContact CG-CG 4.39Å; Q100-Q104 WeakPolarHBondContact O-CG 3.44Å; Q100-Q104 PolarHBondContact O-N 2.97Å; Q100-F142 HydrophobicContact CB-CE2 3.76Å; Q100-F142 HydrophobicContact CB-CZ 3.67Å; Q100-N146 VanDerWaalsContact CG-OD1 3.31Å; Q100-N146 WeakPolarHBondContact CG-OD1 3.23Å; Q100-N146 PolarHBondContact NE2-OD1 3.37Å
101R94.1Very high95.6Very high123 Ų12347 Ų4746%0.46426%0.26SS..Hα-helixtrans-63.1-36.3178.1-99.7-178.5-162.2177.7-1.8112R69 N98 S99 D105R69-R101 PolarHBondContact NE-O 2.96Å; R69-R101 VanDerWaalsContact NH2-C 3.34Å; R69-R101 VanDerWaalsContact NH2-CG 3.32Å; R69-R101 PolarHBondContact NH2-O 2.94Å; N98-R101 WeakPolarHBondContact O-CA 3.34Å; N98-R101 WeakPolarHBondContact O-CB 3.35Å; N98-R101 PolarHBondContact O-N 2.92Å; N98-R101 VanDerWaalsContact O-N 3.17Å; N98-R101 PolarHBondContact OD1-NH1 2.89Å; S99-R101 VanDerWaalsContact C-N 3.29Å; S99-R101 PolarHBondContact O-N 3.03Å; R101-D105 WeakPolarHBondContact O-CB 3.46Å; R101-D105 PolarHBondContact O-N 3.24Å
102W95.3Very high95.3Very high1 Ų145.3 Ų45.30%0.00425%0.248CC..Hα-helixtrans-68.9-41.1169.7-77.3107.1000112.2V13 G14 D15 R69 I86 N98 S99 Q100 D105 L106V13-W102 HydrophobicContact CB-CD2 4.26Å; V13-W102 HydrophobicContact CB-CE3 3.72Å; V13-W102 HydrophobicContact CB-CH2 4.49Å; V13-W102 HydrophobicContact CB-CZ3 3.86Å; V13-W102 HydrophobicContact CG1-CE3 4.43Å; V13-W102 HydrophobicContact CG1-CZ3 4.29Å; V13-W102 HydrophobicContact CG2-CB 4.36Å; V13-W102 HydrophobicContact CG2-CD2 4.23Å; V13-W102 HydrophobicContact CG2-CE3 3.86Å; V13-W102 HydrophobicContact CG2-CG 4.48Å; V13-W102 HydrophobicContact CG2-CZ3 4.49Å; G14-W102 WeakPolarHBondContact O-CZ2 3.4Å; D15-W102 PolarHBondContact OD1-NE1 3.44Å; R69-W102 HydrophobicContact CB-CH2 3.57Å; R69-W102 HydrophobicContact CB-CZ2 3.87Å; R69-W102 HydrophobicContact CB-CZ3 3.92Å; R69-W102 HydrophobicContact CG-CE3 4.24Å; R69-W102 HydrophobicContact CG-CH2 4.13Å; R69-W102 HydrophobicContact CG-CZ2 4.36Å; R69-W102 HydrophobicContact CG-CZ3 4.04Å; I86-W102 HydrophobicContact CD1-CB 3.89Å; I86-W102 HydrophobicContact CG2-CB 4.08Å; N98-W102 PolarHBondContact O-N 3.3Å; S99-W102 PolarHBondContact O-N 3.24Å; Q100-W102 VanDerWaalsContact C-N 3.32Å; Q100-W102 PolarHBondContact O-N 3.42Å; W102-D105 PolarHBondContact O-N 3.03Å; W102-L106 PolarHBondContact O-N 2.59Å
103K96.8Very high94.8Very high3 Ų347.8 Ų47.81%0.01327%0.268CS..Hα-helixtrans-64.4-47.9178.7-176.459.2167.576.40112.5I86 S99 Q100 D105 L106 D107 C120 N146 G147 F148I86-K103 HydrophobicContact CD1-CB 3.91Å; I86-K103 HydrophobicContact CD1-CD 4.26Å; S99-K103 PolarHBondContact O-N 3.28Å; Q100-K103 WeakPolarHBondContact O-CB 3.3Å; Q100-K103 PolarHBondContact O-N 3.04Å; Q100-K103 VanDerWaalsContact O-N 3.13Å; K103-D105 VanDerWaalsContact C-N 3.27Å; K103-D105 PolarHBondContact O-N 3.46Å; K103-L106 WeakPolarHBondContact O-CB 3.38Å; K103-L106 PolarHBondContact O-N 3.24Å; K103-D107 IonicContact NZ-OD1 2.87Å; K103-D107 PolarHBondContact NZ-OD1 3.36Å; K103-D107 IonicContact NZ-OD2 3.39Å; K103-D107 PolarHBondContact NZ-OD2 2.9Å; K103-D107 VanDerWaalsContact O-CG 3.23Å; K103-D107 PolarHBondContact O-N 3.37Å; K103-C120 HydrophobicContact CD-CB 4.12Å; K103-N146 WeakPolarHBondContact CE-O 3.45Å; K103-N146 WeakPolarHBondContact CG-O 3.19Å; K103-G147 WeakPolarHBondContact CE-O 3.38Å; K103-G147 PolarHBondContact NZ-O 2.89Å; K103-F148 HydrophobicContact CB-CE1 4.45Å; K103-F148 HydrophobicContact CB-CE2 4.13Å; K103-F148 HydrophobicContact CB-CZ 3.77Å; K103-F148 HydrophobicContact CD-CD1 4.39Å; K103-F148 HydrophobicContact CD-CE1 4.11Å; K103-F148 HydrophobicContact CD-CE2 4.48Å; K103-F148 HydrophobicContact CD-CZ 4.16Å; K103-F148 HydrophobicContact CG-CE1 4.46Å; K103-F148 HydrophobicContact CG-CE2 4.06Å; K103-F148 HydrophobicContact CG-CZ 4Å
104Q95Very high94.2Very high104 Ų10448.7 Ų48.749%0.48627%0.267SS..Hα-helixtrans-59.3-40.1175.3-72170.6-9.500111.8Q100 S108Q100-Q104 HydrophobicContact CG-CG 4.39Å; Q100-Q104 WeakPolarHBondContact O-CG 3.44Å; Q100-Q104 PolarHBondContact O-N 2.97Å; Q104-S108 VanDerWaalsContact O-CB 3.28Å; Q104-S108 WeakPolarHBondContact O-CB 3.16Å; Q104-S108 PolarHBondContact O-N 3.29Å; Q104-S108 PolarHBondContact O-OG 3.33Å
105D92.8Very high93.8Very high23 Ų2347 Ų4712%0.12327%0.267CS..Hα-helixtrans-63.6-45177.6-171.977.3000112Y78 R101 W102 K103 S108 K109Y78-D105 WeakPolarHBondContact CE2-OD2 3.45Å; Y78-D105 PolarHBondContact OH-OD2 2.91Å; R101-D105 WeakPolarHBondContact O-CB 3.46Å; R101-D105 PolarHBondContact O-N 3.24Å; W102-D105 PolarHBondContact O-N 3.03Å; K103-D105 VanDerWaalsContact C-N 3.27Å; K103-D105 PolarHBondContact O-N 3.46Å; D105-S108 PolarHBondContact O-OG 3.38Å; D105-K109 WeakPolarHBondContact O-CG 3.32Å; D105-K109 PolarHBondContact O-N 2.85Å; D105-K109 WeakPolarHBondContact OD1-CE 3.4Å; D105-K109 IonicContact OD1-NZ 2.67Å; D105-K109 PolarHBondContact OD1-NZ 3Å; D105-K109 IonicContact OD2-NZ 3.88Å; D105-K109 PolarHBondContact OD2-NZ 2.82Å
106L94.1Very high93.6Very high1 Ų151.3 Ų51.31%0.00529%0.286CS..Hα-helixtrans-57.6-56.1173.7176.572000111.2L11 Y78 C84 W102 K103 S108 K109 L110 C120L11-L106 HydrophobicContact CD1-CD1 3.89Å; Y78-L106 HydrophobicContact CD2-CD1 4.13Å; Y78-L106 HydrophobicContact CE2-CB 4.37Å; Y78-L106 HydrophobicContact CE2-CD1 4.32Å; C84-L106 HydrophobicContact CB-CD1 4.09Å; C84-L106 HydrophobicContact CB-CD2 3.45Å; C84-L106 VanDerWaalsContact CB-CD2 3.45Å; C84-L106 HydrophobicContact CB-CG 4.43Å; W102-L106 PolarHBondContact O-N 2.59Å; K103-L106 WeakPolarHBondContact O-CB 3.38Å; K103-L106 PolarHBondContact O-N 3.24Å; L106-S108 PolarHBondContact O-N 2.96Å; L106-K109 PolarHBondContact O-N 3.33Å; L106-L110 HydrophobicContact CD1-CD2 4.21Å; L106-L110 PolarHBondContact O-N 2.8Å; L106-C120 HydrophobicContact CD2-CB 4.15Å
107D95.1Very high93.4Very high42 Ų4254.3 Ų54.323%0.22530%0.303CS..Hα-helixtrans-62.7-31.6-175-63.8-17.8000112.2K103 K109 L117K103-D107 IonicContact NZ-OD1 2.87Å; K103-D107 PolarHBondContact NZ-OD1 3.36Å; K103-D107 IonicContact NZ-OD2 3.39Å; K103-D107 PolarHBondContact NZ-OD2 2.9Å; K103-D107 VanDerWaalsContact O-CG 3.23Å; K103-D107 PolarHBondContact O-N 3.37Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 2.82Å; D107-L117 HydrophobicContact CB-CD2 3.94Å
108S92.9Very high93.3Very high88 Ų8851.3 Ų51.362%0.61528%0.282SS*.Hα-helixtrans-72.5-18.2177.774.20000114.3Q104 D105 L106Q104-S108 VanDerWaalsContact O-CB 3.28Å; Q104-S108 WeakPolarHBondContact O-CB 3.16Å; Q104-S108 PolarHBondContact O-N 3.29Å; Q104-S108 PolarHBondContact O-OG 3.33Å; D105-S108 PolarHBondContact O-OG 3.38Å; L106-S108 PolarHBondContact O-N 2.96Å
109K91.3Very high93.3Very high56 Ų5650.5 Ų50.524%0.24328%0.278CS..Hα-helixtrans-115.1-20.8-170.9-71.1172.1-170.9166.80113.4T74 R75 Y78 D105 L106 D107T74-K109 HydrophobicContact CG2-CD 4.4Å; T74-K109 VanDerWaalsContact CG2-NZ 3.32Å; R75-K109 HydrophobicContact CG-CD 3.93Å; R75-K109 HydrophobicContact CG-CG 4.11Å; Y78-K109 HydrophobicContact CD2-CB 4.11Å; Y78-K109 HydrophobicContact CD2-CD 3.97Å; Y78-K109 HydrophobicContact CE2-CD 4.07Å; D105-K109 WeakPolarHBondContact O-CG 3.32Å; D105-K109 PolarHBondContact O-N 2.85Å; D105-K109 WeakPolarHBondContact OD1-CE 3.4Å; D105-K109 IonicContact OD1-NZ 2.67Å; D105-K109 PolarHBondContact OD1-NZ 3Å; D105-K109 IonicContact OD2-NZ 3.88Å; D105-K109 PolarHBondContact OD2-NZ 2.82Å; L106-K109 PolarHBondContact O-N 3.33Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 2.82Å
110L92.4Very high93.4Very high20 Ų2050.5 Ų50.511%0.10528%0.278CS..  trans-146.5125.1-168.2-171.170.1000112.2Y78 A81 L106 V118Y78-L110 VanDerWaalsContact O-CD2 3.29Å; Y78-L110 WeakPolarHBondContact O-CD2 3.44Å; A81-L110 HydrophobicContact CB-CD2 3.7Å; L106-L110 HydrophobicContact CD1-CD2 4.21Å; L106-L110 PolarHBondContact O-N 2.8Å; L110-V118 HydrophobicContact CB-CG2 4.44Å; L110-V118 HydrophobicContact CD2-CB 4.46Å; L110-V118 HydrophobicContact CD2-CG2 3.61Å; L110-V118 HydrophobicContact CG-CG2 3.66Å
111T93.6Very high93.5Very high79 Ų7947.5 Ų47.549%0.48526%0.264SS..BIsolated β-bridgetrans-123.8156.8166.356.20000108.6E116 L117T111-E116 CarbonylContact C-O 3.59Å; T111-E116 WeakPolarHBondContact CA-O 3.38Å; T111-E116 WeakPolarHBondContact CB-O 3.41Å; T111-L117 HydrophobicContact CG2-CD2 4.43Å
112L90.8Very high93.7Very high18 Ų1841.7 Ų41.79%0.09424%0.242CC..  trans-68.4163.6169.9-68.5-179.5000110.9N114 G115 E116 V118 N176L112-N114 WeakPolarHBondContact CB-OD1 3.17Å; L112-N114 PolarHBondContact O-N 3.26Å; L112-G115 PolarHBondContact O-N 2.89Å; L112-E116 PolarHBondContact N-O 3.2Å; L112-V118 HydrophobicContact CD2-CG2 3.97Å; L112-V118 HydrophobicContact CG-CG2 4.11Å; L112-N176 WeakPolarHBondContact CD1-ND2 3.43Å
113P87.9Confident93.9Very high119 Ų11941.7 Ų41.777%0.77324%0.242SC*.THydrogen-bonded Turntrans-56.7-31.6178.1-26.836000114G115P113-G115 PolarHBondContact O-N 2.62Å
114N85.3Confident93.9Very high66 Ų6641.5 Ų41.535%0.35324%0.242SC..THydrogen-bonded Turntrans-75.21.2175.870.3-5.2000113.8L112 E116L112-N114 WeakPolarHBondContact CB-OD1 3.17Å; L112-N114 PolarHBondContact O-N 3.26Å; N114-E116 VanDerWaalsContact C-N 3.3Å; N114-E116 PolarHBondContact ND2-OE2 2.92Å; N114-E116 PolarHBondContact O-N 3.11Å; N114-E116 WeakPolarHBondContact OD1-CB 3.29Å; N114-E116 PolarHBondContact OD1-N 3.38Å
115G89.3Confident94.1Very high54 Ų5436.8 Ų36.856%0.55722%0.22SC*.SBendtrans83.4-4.1-179.100000114.8L112 P113L112-G115 PolarHBondContact O-N 2.89Å; P113-G115 PolarHBondContact O-N 2.62Å
116E92.2Very high94.4Very high97 Ų9738 Ų3845%0.45322%0.224SC..PPolyproline II helixtrans-76.1160.4176.5-63.4-169.3150.900112.3T111 L112 N114T111-E116 CarbonylContact C-O 3.59Å; T111-E116 WeakPolarHBondContact CA-O 3.38Å; T111-E116 WeakPolarHBondContact CB-O 3.41Å; L112-E116 PolarHBondContact N-O 3.2Å; N114-E116 VanDerWaalsContact C-N 3.3Å; N114-E116 PolarHBondContact ND2-OE2 2.92Å; N114-E116 PolarHBondContact O-N 3.11Å; N114-E116 WeakPolarHBondContact OD1-CB 3.29Å; N114-E116 PolarHBondContact OD1-N 3.38Å
117L94.1Very high94.6Very high85 Ų8538.7 Ų38.745%0.44523%0.228SC..BIsolated β-bridgetrans-67.9146.9171.4-64.4179.2000111D107 T111D107-L117 HydrophobicContact CB-CD2 3.94Å; T111-L117 HydrophobicContact CG2-CD2 4.43Å
118V95.6Very high94.7Very high3 Ų338.6 Ų38.62%0.01823%0.228CC..PPolyproline II helixtrans-64.6130.5176.2174.30000110.4L110 L112 C120L110-V118 HydrophobicContact CB-CG2 4.44Å; L110-V118 HydrophobicContact CD2-CB 4.46Å; L110-V118 HydrophobicContact CD2-CG2 3.61Å; L110-V118 HydrophobicContact CG-CG2 3.66Å; L112-V118 HydrophobicContact CD2-CG2 3.97Å; L112-V118 HydrophobicContact CG-CG2 4.11Å; V118-C120 PolarHBondContact O-N 3.2Å
119P97.6Very high94.9Very high4 Ų437.7 Ų37.73%0.02622%0.216CC..PPolyproline II helixtrans-51.5127173.8-28.734.3000111.4A83 C84 T149 L169 K172A83-P119 CarbonylContact C-O 3.57Å; A83-P119 WeakPolarHBondContact CA-O 3.48Å; C84-P119 PolarHBondContact N-O 3.4Å; P119-T149 WeakPolarHBondContact CA-OG1 3.17Å; P119-L169 HydrophobicContact CB-CD1 4.13Å; P119-K172 HydrophobicContact CB-CG 3.8Å; P119-K172 HydrophobicContact CG-CG 3.74Å
120C98.2Very high95Very high1 Ų140.3 Ų40.31%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-133.8117.7-171.7-171.40000110.7C84 I86 K103 L106 V118 F148 T149C84-C120 HydrophobicContact CB-CB 4.49Å; C84-C120 CarbonylContact O-C 3.39Å; C84-C120 VanDerWaalsContact O-CA 3.26Å; C84-C120 WeakPolarHBondContact O-CA 3.32Å; I86-C120 VanDerWaalsContact CD1-SG 3.57Å; I86-C120 VanDerWaalsContact CG1-SG 3.59Å; K103-C120 HydrophobicContact CD-CB 4.12Å; L106-C120 HydrophobicContact CD2-CB 4.15Å; V118-C120 PolarHBondContact O-N 3.2Å; C120-F148 HydrophobicContact CB-CD1 4.27Å; C120-T149 PolarHBondContact N-OG1 3.16Å; C120-T149 WeakPolarHBondContact O-CB 3.45Å; C120-T149 PolarHBondContact O-N 3.49Å
121L98.5Very high95.2Very high11 Ų1144.4 Ų44.46%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-102130.2179.5-170.470.4000110.5C84 V85 I86 L123 G150 A165 L169C84-L121 PolarHBondContact O-N 3.29Å; V85-L121 WeakPolarHBondContact CA-O 3.44Å; I86-L121 PolarHBondContact N-O 3.26Å; L121-L123 HydrophobicContact CD2-CD2 3.71Å; L121-L123 HydrophobicContact CG-CD2 3.96Å; L121-G150 WeakPolarHBondContact CD1-O 3.45Å; L121-A165 HydrophobicContact CD2-CB 3.79Å; L121-A165 WeakPolarHBondContact CD2-O 3.38Å; L121-L169 HydrophobicContact CB-CD1 4.31Å
122L98.8Very high95.5Very high0 Ų043.3 Ų43.30%026%0.256CS..EExtended strand (participates in β ladder)trans-92.7121.7174.8-176.464.9000110.6I86 F88 I139 F142 F148 G150 W151 T152I86-L122 HydrophobicContact CB-CD1 4.31Å; I86-L122 HydrophobicContact CG2-CD1 4.15Å; I86-L122 CarbonylContact O-C 3.58Å; I86-L122 WeakPolarHBondContact O-CA 3.36Å; F88-L122 HydrophobicContact CD1-CD1 3.78Å; F88-L122 HydrophobicContact CD1-CG 4.18Å; F88-L122 HydrophobicContact CE1-CD1 4.1Å; F88-L122 HydrophobicContact CE1-CD2 4.16Å; F88-L122 HydrophobicContact CE1-CG 3.98Å; L122-I139 HydrophobicContact CD2-CG2 4.01Å; L122-F142 HydrophobicContact CD2-CD1 3.83Å; L122-F142 HydrophobicContact CD2-CE1 3.97Å; L122-F148 HydrophobicContact CB-CD1 3.68Å; L122-F148 HydrophobicContact CB-CE1 3.83Å; L122-F148 HydrophobicContact CB-CG 4.12Å; L122-F148 HydrophobicContact CB-CZ 4.39Å; L122-F148 HydrophobicContact CD1-CE1 4.01Å; L122-F148 HydrophobicContact CD1-CZ 4.01Å; L122-F148 HydrophobicContact CD2-CE2 4.49Å; L122-F148 HydrophobicContact CG-CE1 4.41Å; L122-G150 PolarHBondContact N-O 3.43Å; L122-W151 HydrophobicContact CB-CB 3.82Å; L122-W151 HydrophobicContact CD2-CB 4.27Å; L122-W151 HydrophobicContact CG-CB 4.32Å; L122-W151 CarbonylContact O-C 3.57Å; L122-W151 WeakPolarHBondContact O-CA 3.31Å; L122-W151 WeakPolarHBondContact O-CB 3.45Å; L122-T152 PolarHBondContact O-N 2.85Å; L122-T152 VanDerWaalsContact O-N 3.09Å
123L98.8Very high95.8Very high1 Ų144.9 Ų44.91%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-107.4116.4176.7-58.3-173.5000111.2L23 V85 I86 M87 F88 L121 N125 T152 T154 A165L23-L123 HydrophobicContact CD1-CD1 3.45Å; L23-L123 VanDerWaalsContact CD1-CD1 3.45Å; V85-L123 HydrophobicContact CG1-CD1 3.42Å; V85-L123 VanDerWaalsContact CG1-CD1 3.42Å; V85-L123 HydrophobicContact CG1-CG 3.75Å; I86-L123 PolarHBondContact O-N 3.21Å; M87-L123 HydrophobicContact CE-CD1 4.49Å; M87-L123 HydrophobicContact CG-CB 4.13Å; M87-L123 HydrophobicContact CG-CD1 4.28Å; F88-L123 WeakPolarHBondContact CD1-O 3.29Å; F88-L123 PolarHBondContact N-O 3.1Å; L121-L123 HydrophobicContact CD2-CD2 3.71Å; L121-L123 HydrophobicContact CG-CD2 3.96Å; L123-N125 PolarHBondContact O-N 3.13Å; L123-T152 HydrophobicContact CD2-CG2 3.67Å; L123-T154 HydrophobicContact CB-CG2 4.49Å; L123-T154 HydrophobicContact CD1-CG2 4.38Å; L123-T154 HydrophobicContact CD2-CG2 3.96Å; L123-A165 HydrophobicContact CD2-CB 3.91Å
124A98.7Very high96.2Very high0 Ų039.7 Ų39.70%024%0.238CC..EExtended strand (participates in β ladder)trans-83.781.817100000108.8F88 V90 I139 W151 T152 E153 T154F88-A124 VanDerWaalsContact CE1-CA 3.49Å; F88-A124 HydrophobicContact CE1-CB 3.6Å; F88-A124 HydrophobicContact CE2-CB 4.2Å; F88-A124 HydrophobicContact CZ-CB 3.36Å; V90-A124 HydrophobicContact CG1-CB 3.7Å; A124-I139 HydrophobicContact CB-CD1 4.12Å; A124-W151 HydrophobicContact CB-CE3 4.32Å; A124-W151 HydrophobicContact CB-CZ3 4.37Å; A124-T152 PolarHBondContact N-O 2.83Å; A124-E153 WeakPolarHBondContact O-CA 3.48Å; A124-T154 PolarHBondContact O-N 3.35Å
125N98.7Very high96.7Very high4 Ų439 Ų392%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-83163.2-171.5-170.132000112.5V18 M87 F88 V90 L123 C127 T154 V156V18-N125 PolarHBondContact O-ND2 3.33Å; M87-N125 HydrophobicContact CE-CB 3.7Å; M87-N125 WeakPolarHBondContact CE-ND2 3.22Å; F88-N125 WeakPolarHBondContact O-CB 3.48Å; F88-N125 PolarHBondContact O-N 3.46Å; V90-N125 WeakPolarHBondContact CG1-O 3.48Å; V90-N125 WeakPolarHBondContact CG2-O 3.45Å; V90-N125 PolarHBondContact N-O 3.23Å; L123-N125 PolarHBondContact O-N 3.13Å; N125-C127 VanDerWaalsContact C-N 3.32Å; N125-T154 CarbonylContact C-O 3.57Å; N125-T154 VanDerWaalsContact CA-O 3.28Å; N125-T154 WeakPolarHBondContact CA-O 3.43Å; N125-T154 WeakPolarHBondContact CA-OG1 3.43Å; N125-T154 PolarHBondContact OD1-O 2.96Å; N125-T154 PolarHBondContact OD1-OG1 3.36Å; N125-V156 WeakPolarHBondContact OD1-CG2 3.42Å; N125-V156 PolarHBondContact OD1-N 2.95Å
126K98.2Very high97.2Very high49 Ų4942.5 Ų42.521%0.21324%0.235CC..  trans65.135.1-174.7-44.8-169.3-163167.40112.5A17 D89 V90 D128 L129 T154A17-K126 VanDerWaalsContact O-CE 3.32Å; A17-K126 WeakPolarHBondContact O-CE 3.4Å; A17-K126 PolarHBondContact O-NZ 3.37Å; D89-K126 HydrophobicContact CB-CD 4.48Å; D89-K126 WeakPolarHBondContact OD2-CD 3.43Å; D89-K126 VanDerWaalsContact OD2-CE 3.29Å; D89-K126 WeakPolarHBondContact OD2-CE 3.21Å; D89-K126 IonicContact OD2-NZ 3Å; D89-K126 PolarHBondContact OD2-NZ 3Å; V90-K126 WeakPolarHBondContact CG2-O 3.44Å; K126-D128 PolarHBondContact O-N 2.89Å; K126-D128 VanDerWaalsContact O-N 3.08Å; K126-L129 HydrophobicContact CB-CD1 3.91Å; K126-L129 HydrophobicContact CB-CG 4.16Å; K126-L129 HydrophobicContact CD-CD1 3.99Å; K126-L129 WeakPolarHBondContact O-CB 3.42Å; K126-L129 PolarHBondContact O-N 2.82Å; K126-T154 PolarHBondContact N-O 3.34Å
127C98.1Very high97.4Very high15 Ų1543.2 Ų43.210%0.10124%0.241CC..THydrogen-bonded Turntrans-62.6-14.1178.377.50000113.6N125 L129 W132 E153 T154N125-C127 VanDerWaalsContact C-N 3.32Å; C127-L129 VanDerWaalsContact C-N 3.25Å; C127-W132 HydrophobicContact CB-CH2 4.12Å; C127-W132 HydrophobicContact CB-CZ2 3.56Å; C127-E153 HydrophobicContact CB-CB 3.87Å; C127-T154 WeakPolarHBondContact CB-O 3.42Å; C127-T154 PolarHBondContact N-O 3.44Å; C127-T154 PolarHBondContact SG-O 3.02Å
128D97.8Very high97.6Very high40 Ų4043.3 Ų43.321%0.21424%0.24CC..THydrogen-bonded Turntrans-72.1-14170.261.6-72.5000114K126 S155 K157 E158K126-D128 PolarHBondContact O-N 2.89Å; K126-D128 VanDerWaalsContact O-N 3.08Å; D128-S155 VanDerWaalsContact CG-OG 3.26Å; D128-S155 VanDerWaalsContact OD1-CB 3.3Å; D128-S155 WeakPolarHBondContact OD1-CB 3.5Å; D128-S155 PolarHBondContact OD1-OG 2.84Å; D128-K157 WeakPolarHBondContact OD2-CD 3.46Å; D128-K157 IonicContact OD2-NZ 2.6Å; D128-K157 PolarHBondContact OD2-NZ 3.41Å; D128-E158 VanDerWaalsContact CB-CD 3.47Å; D128-E158 HydrophobicContact CB-CG 4.05Å; D128-E158 WeakPolarHBondContact CB-OE1 3.29Å
129L97.1Very high97.8Very high70 Ų7043.2 Ų43.237%0.36624%0.239SC..SBendtrans-94.1154178.2-57.3-177.1000111.7T91 K126 C127 W132T91-L129 HydrophobicContact CG2-CB 3.51Å; T91-L129 HydrophobicContact CG2-CD1 4.09Å; T91-L129 HydrophobicContact CG2-CG 4.45Å; K126-L129 HydrophobicContact CB-CD1 3.91Å; K126-L129 HydrophobicContact CB-CG 4.16Å; K126-L129 HydrophobicContact CD-CD1 3.99Å; K126-L129 WeakPolarHBondContact O-CB 3.42Å; K126-L129 PolarHBondContact O-N 2.82Å; C127-L129 VanDerWaalsContact C-N 3.25Å; L129-W132 PolarHBondContact O-NE1 3.42Å
130S94.4Very high97.8Very high110 Ų11045.6 Ų45.677%0.76925%0.251SS*.SBendtrans-147146.5179.5-177.30000109.6
131P96.4Very high97.8Very high106 Ų10652.2 Ų52.269%0.68828%0.276SS*.SBendcis-76.1157.2-1.732.5-35.6000113.2
132W98.2Very high97.8Very high56 Ų5652.7 Ų52.721%0.21228%0.278CS..  trans-81.7139169.6-69.421.9000109.8V90 C127 L129 V134 R136 I139 E153V90-W132 HydrophobicContact CB-CD2 3.77Å; V90-W132 HydrophobicContact CB-CE3 4.07Å; V90-W132 HydrophobicContact CB-CG 3.99Å; V90-W132 HydrophobicContact CG1-CD2 4.14Å; V90-W132 HydrophobicContact CG1-CE3 4.04Å; V90-W132 HydrophobicContact CG1-CH2 4.25Å; V90-W132 HydrophobicContact CG1-CZ2 4.37Å; V90-W132 HydrophobicContact CG1-CZ3 4.08Å; V90-W132 HydrophobicContact CG2-CD2 4Å; V90-W132 HydrophobicContact CG2-CG 4.03Å; V90-W132 HydrophobicContact CG2-CZ2 4.47Å; C127-W132 HydrophobicContact CB-CH2 4.12Å; C127-W132 HydrophobicContact CB-CZ2 3.56Å; L129-W132 PolarHBondContact O-NE1 3.42Å; W132-V134 VanDerWaalsContact C-N 3.28Å; W132-V134 WeakPolarHBondContact CB-O 3.47Å; W132-R136 HydrophobicContact CZ3-CG 4.07Å; W132-I139 HydrophobicContact CZ3-CD1 4.24Å; W132-E153 HydrophobicContact CH2-CB 3.94Å; W132-E153 WeakPolarHBondContact CH2-OE2 3.16Å
133A97.8Very high97.8Very high52 Ų5253 Ų5343%0.4328%0.28SS..SBendtrans-82.6-8.7174.600000112.6V90 A93V90-A133 PolarHBondContact O-N 3.29Å; A93-A133 HydrophobicContact CB-CB 3.96Å
134V95.6Very high97.8Very high10 Ų1059.8 Ų59.86%0.06131%0.309CS..SBendtrans-137.6142.7-177.7-64.60000110.9F88 A93 F96 W132 I139F88-V134 HydrophobicContact CE2-CG2 3.77Å; F88-V134 HydrophobicContact CZ-CG2 4.28Å; A93-V134 HydrophobicContact CB-CG1 4.3Å; F96-V134 HydrophobicContact CB-CG1 4.02Å; F96-V134 HydrophobicContact CD1-CB 4.5Å; F96-V134 HydrophobicContact CD1-CG1 3.59Å; F96-V134 HydrophobicContact CE1-CG1 4.19Å; F96-V134 HydrophobicContact CG-CG1 3.85Å; W132-V134 VanDerWaalsContact C-N 3.28Å; W132-V134 WeakPolarHBondContact CB-O 3.47Å; V134-I139 HydrophobicContact CG2-CD1 3.97Å; V134-I139 HydrophobicContact CG2-CG1 4.11Å
135S97.6Very high97.8Very high50 Ų5066.9 Ų66.935%0.3534%0.343SS..  trans-87.7156.8176.381.10000112.2D137 Q138 I139S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.72Å; S135-Q138 WeakPolarHBondContact O-CB 3.28Å; S135-Q138 PolarHBondContact O-N 3.02Å; S135-Q138 VanDerWaalsContact O-N 3.13Å; S135-Q138 WeakPolarHBondContact OG-CG 3.45Å; S135-Q138 PolarHBondContact OG-N 3.04Å; S135-Q138 PolarHBondContact OG-OE1 2.92Å; S135-I139 WeakPolarHBondContact O-CG1 3.43Å; S135-I139 PolarHBondContact O-N 3.03Å; S135-I139 VanDerWaalsContact O-N 3.1Å
136R97.8Very high97.7Very high129 Ų12968 Ų6849%0.48735%0.348SS..Hα-helixtrans-58.7-38.5176.4-64.8-175.917684.22.6112.3W132 Q138 I139 D140 W151 E153W132-R136 HydrophobicContact CZ3-CG 4.07Å; R136-Q138 VanDerWaalsContact C-N 3.34Å; R136-Q138 PolarHBondContact O-N 3.08Å; R136-I139 PolarHBondContact O-N 2.91Å; R136-D140 PolarHBondContact O-N 2.62Å; R136-W151 HydrophobicContact CB-CH2 3.9Å; R136-W151 HydrophobicContact CB-CZ2 4.28Å; R136-W151 HydrophobicContact CG-CH2 3.97Å; R136-E153 IonicContact CZ-OE2 2.72Å; R136-E153 IonicContact NE-OE2 2.69Å; R136-E153 PolarHBondContact NE-OE2 2.83Å; R136-E153 IonicContact NH2-OE2 2.77Å; R136-E153 PolarHBondContact NH2-OE2 3.32Å
137D98.3Very high97.6Very high111 Ų11168 Ų6859%0.59436%0.362SS*.Hα-helixtrans-66-35.8177.3-60.5-19.7000112.5S135 R141S135-D137 VanDerWaalsContact C-N 3.26Å; S135-D137 PolarHBondContact O-N 2.72Å; D137-R141 WeakPolarHBondContact O-CG 3.49Å; D137-R141 PolarHBondContact O-N 2.81Å; D137-R141 VanDerWaalsContact O-N 3.11Å
138Q98.1Very high97.6Very high88 Ų8868 Ų6841%0.41136%0.361SS..Hα-helixtrans-65.2-42.5173.6-73.5173.7-53.700110.9S135 R136 F142S135-Q138 WeakPolarHBondContact O-CB 3.28Å; S135-Q138 PolarHBondContact O-N 3.02Å; S135-Q138 VanDerWaalsContact O-N 3.13Å; S135-Q138 WeakPolarHBondContact OG-CG 3.45Å; S135-Q138 PolarHBondContact OG-N 3.04Å; S135-Q138 PolarHBondContact OG-OE1 2.92Å; R136-Q138 VanDerWaalsContact C-N 3.34Å; R136-Q138 PolarHBondContact O-N 3.08Å; Q138-F142 WeakPolarHBondContact O-CB 3.45Å; Q138-F142 PolarHBondContact O-N 2.77Å
139I98.6Very high97.6Very high0 Ų069.6 Ų69.60%037%0.372CS..Hα-helixtrans-65.4-42.5178.4-56.4161.8000110.5F88 F96 L122 A124 W132 V134 S135 R136 F142 S143 W151F88-I139 HydrophobicContact CE1-CG2 4.45Å; F88-I139 HydrophobicContact CZ-CD1 3.85Å; F88-I139 HydrophobicContact CZ-CG1 3.97Å; F88-I139 HydrophobicContact CZ-CG2 4.42Å; F96-I139 HydrophobicContact CE2-CB 4.32Å; F96-I139 HydrophobicContact CE2-CG1 3.94Å; F96-I139 HydrophobicContact CE2-CG2 4.32Å; F96-I139 HydrophobicContact CZ-CG1 4.33Å; L122-I139 HydrophobicContact CD2-CG2 4.01Å; A124-I139 HydrophobicContact CB-CD1 4.12Å; W132-I139 HydrophobicContact CZ3-CD1 4.24Å; V134-I139 HydrophobicContact CG2-CD1 3.97Å; V134-I139 HydrophobicContact CG2-CG1 4.11Å; S135-I139 WeakPolarHBondContact O-CG1 3.43Å; S135-I139 PolarHBondContact O-N 3.03Å; S135-I139 VanDerWaalsContact O-N 3.1Å; R136-I139 PolarHBondContact O-N 2.91Å; I139-F142 PolarHBondContact O-N 2.79Å; I139-S143 VanDerWaalsContact O-CB 3.29Å; I139-S143 WeakPolarHBondContact O-CB 3.48Å; I139-S143 PolarHBondContact O-N 2.89Å; I139-W151 HydrophobicContact CB-CD2 4.18Å; I139-W151 HydrophobicContact CB-CE3 4.22Å; I139-W151 HydrophobicContact CB-CH2 4.31Å; I139-W151 HydrophobicContact CB-CZ2 4.26Å; I139-W151 HydrophobicContact CB-CZ3 4.29Å; I139-W151 HydrophobicContact CD1-CE3 4.47Å; I139-W151 HydrophobicContact CD1-CH2 4.32Å; I139-W151 HydrophobicContact CD1-CZ3 3.99Å; I139-W151 HydrophobicContact CG2-CB 4.19Å; I139-W151 HydrophobicContact CG2-CD2 3.38Å; I139-W151 HydrophobicContact CG2-CE3 3.45Å; I139-W151 VanDerWaalsContact CG2-CE3 3.45Å; I139-W151 HydrophobicContact CG2-CG 3.72Å; I139-W151 HydrophobicContact CG2-CH2 4.41Å; I139-W151 HydrophobicContact CG2-CZ2 4.36Å; I139-W151 HydrophobicContact CG2-CZ3 3.99Å
140D98.5Very high97.6Very high55 Ų5567.3 Ų67.329%0.29437%0.365SS..Hα-helixtrans-62.4-47.9179.4-175.568.7000112.7R136 S143 K144 W151R136-D140 PolarHBondContact O-N 2.62Å; D140-S143 PolarHBondContact O-N 3.19Å; D140-K144 WeakPolarHBondContact O-CG 3.44Å; D140-K144 PolarHBondContact O-N 3.03Å; D140-K144 IonicContact OD1-NZ 3.4Å; D140-K144 PolarHBondContact OD1-NZ 2.77Å; D140-K144 WeakPolarHBondContact OD2-CE 3.29Å; D140-K144 IonicContact OD2-NZ 4Å; D140-K144 PolarHBondContact OD2-NZ 3.03Å; D140-W151 HydrophobicContact CB-CZ2 4.39Å; D140-W151 PolarHBondContact OD1-NE1 2.82Å
141R98.6Very high97.8Very high139 Ų13964.9 Ų64.953%0.52534%0.339SS..Hα-helixtrans-60-48.7174.4-72.8-168-64.4-104.10.9111.4D137 S143 K144 E145D137-R141 WeakPolarHBondContact O-CG 3.49Å; D137-R141 PolarHBondContact O-N 2.81Å; D137-R141 VanDerWaalsContact O-N 3.11Å; R141-S143 VanDerWaalsContact C-N 3.33Å; R141-S143 PolarHBondContact O-N 2.92Å; R141-K144 PolarHBondContact O-N 2.9Å; R141-E145 WeakPolarHBondContact O-CB 3.29Å; R141-E145 WeakPolarHBondContact O-CG 3.49Å; R141-E145 PolarHBondContact O-N 2.77Å
142F98.6Very high97.9Very high22 Ų2261.8 Ų61.810%0.09632%0.318CS..Hα-helixtrans-59.1-42.7179.5177-87.8000112.7F96 Q100 L122 Q138 I139 K144 E145 N146 F148F96-F142 HydrophobicContact CE1-CB 4.5Å; F96-F142 HydrophobicContact CE1-CD2 4.23Å; F96-F142 HydrophobicContact CE1-CG 4.35Å; F96-F142 HydrophobicContact CE2-CB 4.11Å; F96-F142 AromaticContact CE2-CD1 3.72Å; F96-F142 HydrophobicContact CE2-CD1 3.72Å; F96-F142 HydrophobicContact CE2-CD2 4.34Å; F96-F142 HydrophobicContact CE2-CE1 4.16Å; F96-F142 AromaticContact CE2-CG 3.81Å; F96-F142 HydrophobicContact CE2-CG 3.81Å; F96-F142 HydrophobicContact CZ-CB 3.54Å; F96-F142 AromaticContact CZ-CD1 3.93Å; F96-F142 HydrophobicContact CZ-CD1 3.93Å; F96-F142 AromaticContact CZ-CD2 3.83Å; F96-F142 HydrophobicContact CZ-CD2 3.83Å; F96-F142 HydrophobicContact CZ-CE2 4.46Å; F96-F142 AromaticContact CZ-CG 3.5Å; F96-F142 HydrophobicContact CZ-CG 3.5Å; F96-F142 VanDerWaalsContact CZ-CG 3.5Å; Q100-F142 HydrophobicContact CB-CE2 3.76Å; Q100-F142 HydrophobicContact CB-CZ 3.67Å; L122-F142 HydrophobicContact CD2-CD1 3.83Å; L122-F142 HydrophobicContact CD2-CE1 3.97Å; Q138-F142 WeakPolarHBondContact O-CB 3.45Å; Q138-F142 PolarHBondContact O-N 2.77Å; I139-F142 PolarHBondContact O-N 2.79Å; F142-K144 VanDerWaalsContact C-N 3.32Å; F142-K144 PolarHBondContact O-N 3.19Å; F142-E145 PolarHBondContact O-N 2.9Å; F142-N146 WeakPolarHBondContact CD2-ND2 3.42Å; F142-N146 WeakPolarHBondContact O-CB 3.21Å; F142-N146 PolarHBondContact O-N 3.47Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.3Å; F142-F148 HydrophobicContact CD1-CE2 4.29Å; F142-F148 AromaticContact CE1-CE2 3.72Å; F142-F148 HydrophobicContact CE1-CE2 3.72Å; F142-F148 HydrophobicContact CE1-CZ 4.3Å
143S98.3Very high97.9Very high5 Ų560.7 Ų60.74%0.03532%0.315CS..Hα-helixtrans-59.1-44.7178-177.80000111.1I139 D140 R141 G147 F148I139-S143 VanDerWaalsContact O-CB 3.29Å; I139-S143 WeakPolarHBondContact O-CB 3.48Å; I139-S143 PolarHBondContact O-N 2.89Å; D140-S143 PolarHBondContact O-N 3.19Å; R141-S143 VanDerWaalsContact C-N 3.33Å; R141-S143 PolarHBondContact O-N 2.92Å; S143-G147 PolarHBondContact O-N 3.17Å; S143-F148 WeakPolarHBondContact O-CB 3.49Å; S143-F148 PolarHBondContact O-N 2.85Å; S143-F148 WeakPolarHBondContact OG-CB 3.27Å
144K98.1Very high97.9Very high144 Ų14458.2 Ų58.263%0.62630%0.295SS*.Hα-helixtrans-69.4-48.3179.8-69.6167.9-179.7166.50111.9D140 R141 F142 N146 G147D140-K144 WeakPolarHBondContact O-CG 3.44Å; D140-K144 PolarHBondContact O-N 3.03Å; D140-K144 IonicContact OD1-NZ 3.4Å; D140-K144 PolarHBondContact OD1-NZ 2.77Å; D140-K144 WeakPolarHBondContact OD2-CE 3.29Å; D140-K144 IonicContact OD2-NZ 4Å; D140-K144 PolarHBondContact OD2-NZ 3.03Å; R141-K144 PolarHBondContact O-N 2.9Å; F142-K144 VanDerWaalsContact C-N 3.32Å; F142-K144 PolarHBondContact O-N 3.19Å; K144-N146 VanDerWaalsContact C-N 3.25Å; K144-N146 PolarHBondContact O-N 3.06Å; K144-G147 PolarHBondContact O-N 3.35Å
145E98.3Very high98Very high150 Ų15057.7 Ų57.770%0.70129%0.292SS*.Hα-helixtrans-62.3-30.8-177.9-73.4169.6-174.200113.1R141 F142R141-E145 WeakPolarHBondContact O-CB 3.29Å; R141-E145 WeakPolarHBondContact O-CG 3.49Å; R141-E145 PolarHBondContact O-N 2.77Å; F142-E145 PolarHBondContact O-N 2.9Å
146N97.6Very high98Very high26 Ų2655.5 Ų55.514%0.13928%0.277CS..THydrogen-bonded Turntrans-101.611.3-177.8-63.7-83.5000113.5Q100 K103 F142 K144 F148Q100-N146 VanDerWaalsContact CG-OD1 3.31Å; Q100-N146 WeakPolarHBondContact CG-OD1 3.23Å; Q100-N146 PolarHBondContact NE2-OD1 3.37Å; K103-N146 WeakPolarHBondContact CE-O 3.45Å; K103-N146 WeakPolarHBondContact CG-O 3.19Å; F142-N146 WeakPolarHBondContact CD2-ND2 3.42Å; F142-N146 WeakPolarHBondContact O-CB 3.21Å; F142-N146 PolarHBondContact O-N 3.47Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.3Å; K144-N146 VanDerWaalsContact C-N 3.25Å; K144-N146 PolarHBondContact O-N 3.06Å; N146-F148 HydrophobicContact CB-CD2 3.93Å; N146-F148 HydrophobicContact CB-CE2 3.78Å; N146-F148 PolarHBondContact O-N 3.4Å
147G96.5Very high97.9Very high49 Ų4953.7 Ų53.751%0.50527%0.272SS..THydrogen-bonded Turntrans65.436.4172.900000114.3K103 S143 K144K103-G147 WeakPolarHBondContact CE-O 3.38Å; K103-G147 PolarHBondContact NZ-O 2.89Å; S143-G147 PolarHBondContact O-N 3.17Å; K144-G147 PolarHBondContact O-N 3.35Å
148F98.1Very high97.8Very high16 Ų1654 Ų547%0.0727%0.27CS..  trans-74.3146.9167.6-73-90.3000110.3I86 K103 C120 L122 F142 S143 N146 G150I86-F148 HydrophobicContact CB-CE1 4Å; I86-F148 HydrophobicContact CD1-CE1 3.75Å; I86-F148 HydrophobicContact CD1-CZ 4.02Å; I86-F148 HydrophobicContact CG1-CE1 4.13Å; K103-F148 HydrophobicContact CB-CE1 4.45Å; K103-F148 HydrophobicContact CB-CE2 4.13Å; K103-F148 HydrophobicContact CB-CZ 3.77Å; K103-F148 HydrophobicContact CD-CD1 4.39Å; K103-F148 HydrophobicContact CD-CE1 4.11Å; K103-F148 HydrophobicContact CD-CE2 4.48Å; K103-F148 HydrophobicContact CD-CZ 4.16Å; K103-F148 HydrophobicContact CG-CE1 4.46Å; K103-F148 HydrophobicContact CG-CE2 4.06Å; K103-F148 HydrophobicContact CG-CZ 4Å; C120-F148 HydrophobicContact CB-CD1 4.27Å; L122-F148 HydrophobicContact CB-CD1 3.68Å; L122-F148 HydrophobicContact CB-CE1 3.83Å; L122-F148 HydrophobicContact CB-CG 4.12Å; L122-F148 HydrophobicContact CB-CZ 4.39Å; L122-F148 HydrophobicContact CD1-CE1 4.01Å; L122-F148 HydrophobicContact CD1-CZ 4.01Å; L122-F148 HydrophobicContact CD2-CE2 4.49Å; L122-F148 HydrophobicContact CG-CE1 4.41Å; F142-F148 HydrophobicContact CD1-CE2 4.29Å; F142-F148 AromaticContact CE1-CE2 3.72Å; F142-F148 HydrophobicContact CE1-CE2 3.72Å; F142-F148 HydrophobicContact CE1-CZ 4.3Å; S143-F148 WeakPolarHBondContact O-CB 3.49Å; S143-F148 PolarHBondContact O-N 2.85Å; S143-F148 WeakPolarHBondContact OG-CB 3.27Å; N146-F148 HydrophobicContact CB-CD2 3.93Å; N146-F148 HydrophobicContact CB-CE2 3.78Å; N146-F148 PolarHBondContact O-N 3.4Å; F148-G150 PolarHBondContact O-N 2.74Å
149T96.8Very high97.7Very high73 Ų7352.6 Ų52.645%0.44827%0.265SS..SBendtrans-63.4-29.1173-53.20000111.5P119 C120 K172P119-T149 WeakPolarHBondContact CA-OG1 3.17Å; C120-T149 PolarHBondContact N-OG1 3.16Å; C120-T149 WeakPolarHBondContact O-CB 3.45Å; C120-T149 PolarHBondContact O-N 3.49Å; T149-K172 HydrophobicContact CG2-CG 4.38Å
150G96.9Very high97.6Very high22 Ų2256.1 Ų56.123%0.22728%0.281CS..EExtended strand (participates in β ladder)trans172.9-176.6173.900000110.8L121 L122 F148L121-G150 WeakPolarHBondContact CD1-O 3.45Å; L122-G150 PolarHBondContact N-O 3.43Å; F148-G150 PolarHBondContact O-N 2.74Å
151W98.6Very high97.6Very high60 Ų6055.9 Ų55.923%0.22728%0.279CS..EExtended strand (participates in β ladder)trans-141.2157173.376.2-84.6000111.3L122 A124 R136 I139 D140L122-W151 HydrophobicContact CB-CB 3.82Å; L122-W151 HydrophobicContact CD2-CB 4.27Å; L122-W151 HydrophobicContact CG-CB 4.32Å; L122-W151 CarbonylContact O-C 3.57Å; L122-W151 WeakPolarHBondContact O-CA 3.31Å; L122-W151 WeakPolarHBondContact O-CB 3.45Å; A124-W151 HydrophobicContact CB-CE3 4.32Å; A124-W151 HydrophobicContact CB-CZ3 4.37Å; R136-W151 HydrophobicContact CB-CH2 3.9Å; R136-W151 HydrophobicContact CB-CZ2 4.28Å; R136-W151 HydrophobicContact CG-CH2 3.97Å; I139-W151 HydrophobicContact CB-CD2 4.18Å; I139-W151 HydrophobicContact CB-CE3 4.22Å; I139-W151 HydrophobicContact CB-CH2 4.31Å; I139-W151 HydrophobicContact CB-CZ2 4.26Å; I139-W151 HydrophobicContact CB-CZ3 4.29Å; I139-W151 HydrophobicContact CD1-CE3 4.47Å; I139-W151 HydrophobicContact CD1-CH2 4.32Å; I139-W151 HydrophobicContact CD1-CZ3 3.99Å; I139-W151 HydrophobicContact CG2-CB 4.19Å; I139-W151 HydrophobicContact CG2-CD2 3.38Å; I139-W151 HydrophobicContact CG2-CE3 3.45Å; I139-W151 VanDerWaalsContact CG2-CE3 3.45Å; I139-W151 HydrophobicContact CG2-CG 3.72Å; I139-W151 HydrophobicContact CG2-CH2 4.41Å; I139-W151 HydrophobicContact CG2-CZ2 4.36Å; I139-W151 HydrophobicContact CG2-CZ3 3.99Å; D140-W151 HydrophobicContact CB-CZ2 4.39Å; D140-W151 PolarHBondContact OD1-NE1 2.82Å
152T98.5Very high97.5Very high40 Ų4049.3 Ų49.325%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-152.3153.8169.3-171.40000111.5L122 L123 A124 T154 A165L122-T152 PolarHBondContact O-N 2.85Å; L122-T152 VanDerWaalsContact O-N 3.09Å; L123-T152 HydrophobicContact CD2-CG2 3.67Å; A124-T152 PolarHBondContact N-O 2.83Å; T152-T154 HydrophobicContact CG2-CG2 4.08Å; T152-A165 HydrophobicContact CG2-CB 3.77Å
153E98.3Very high97.3Very high33 Ų3352 Ų5215%0.15427%0.27CS..EExtended strand (participates in β ladder)trans-77.9135.8171.960.6175.7-131.100110.5A124 C127 W132 R136 K160 N161A124-E153 WeakPolarHBondContact O-CA 3.48Å; C127-E153 HydrophobicContact CB-CB 3.87Å; W132-E153 HydrophobicContact CH2-CB 3.94Å; W132-E153 WeakPolarHBondContact CH2-OE2 3.16Å; R136-E153 IonicContact CZ-OE2 2.72Å; R136-E153 IonicContact NE-OE2 2.69Å; R136-E153 PolarHBondContact NE-OE2 2.83Å; R136-E153 IonicContact NH2-OE2 2.77Å; R136-E153 PolarHBondContact NH2-OE2 3.32Å; E153-K160 WeakPolarHBondContact OE1-CE 3.47Å; E153-K160 IonicContact OE1-NZ 2.77Å; E153-K160 PolarHBondContact OE1-NZ 3.1Å; E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.43Å; E153-N161 PolarHBondContact O-ND2 3.09Å
154T98.5Very high97.2Very high0 Ų057.1 Ų57.10%029%0.293CS..EExtended strand (participates in β ladder)trans-133.6149.5179.557.90000111.4L123 A124 N125 K126 C127 T152 K160 N161L123-T154 HydrophobicContact CB-CG2 4.49Å; L123-T154 HydrophobicContact CD1-CG2 4.38Å; L123-T154 HydrophobicContact CD2-CG2 3.96Å; A124-T154 PolarHBondContact O-N 3.35Å; N125-T154 CarbonylContact C-O 3.57Å; N125-T154 VanDerWaalsContact CA-O 3.28Å; N125-T154 WeakPolarHBondContact CA-O 3.43Å; N125-T154 WeakPolarHBondContact CA-OG1 3.43Å; N125-T154 PolarHBondContact OD1-O 2.96Å; N125-T154 PolarHBondContact OD1-OG1 3.36Å; K126-T154 PolarHBondContact N-O 3.34Å; C127-T154 WeakPolarHBondContact CB-O 3.42Å; C127-T154 PolarHBondContact N-O 3.44Å; C127-T154 PolarHBondContact SG-O 3.02Å; T152-T154 HydrophobicContact CG2-CG2 4.08Å; T154-K160 WeakPolarHBondContact CA-O 3.44Å; T154-N161 HydrophobicContact CG2-CB 4.15Å
155S98.1Very high97.2Very high0 Ų050.5 Ų50.50%027%0.266CS..BIsolated β-bridgetrans-125.7106.4162.7177.20000108D128 K157 E158 N159 K160D128-S155 VanDerWaalsContact CG-OG 3.26Å; D128-S155 VanDerWaalsContact OD1-CB 3.3Å; D128-S155 WeakPolarHBondContact OD1-CB 3.5Å; D128-S155 PolarHBondContact OD1-OG 2.84Å; S155-K157 PolarHBondContact O-N 3.48Å; S155-K157 PolarHBondContact OG-N 3.37Å; S155-E158 PolarHBondContact O-N 3.3Å; S155-E158 PolarHBondContact OG-N 3.25Å; S155-N159 CarbonylContact O-C 3.58Å; S155-N159 WeakPolarHBondContact O-CA 3.2Å; S155-N159 PolarHBondContact O-N 2.95Å; S155-K160 PolarHBondContact N-O 3.41Å; S155-K160 PolarHBondContact O-N 2.98Å
156V96.9Very high97.1Very high4 Ų443.5 Ų43.52%0.02423%0.233CC..THydrogen-bonded Turntrans-61.4-34.5173.1176.90000111.5S22 L23 R26 F32 M87 N125 I162S22-V156 VanDerWaalsContact C-CG1 3.4Å; S22-V156 VanDerWaalsContact O-CG1 3.32Å; S22-V156 WeakPolarHBondContact O-CG1 3.41Å; L23-V156 HydrophobicContact CB-CG2 3.77Å; L23-V156 HydrophobicContact CD1-CG2 4.24Å; L23-V156 HydrophobicContact CG-CG2 4.41Å; R26-V156 HydrophobicContact CB-CG1 4.01Å; R26-V156 PolarHBondContact NE-O 2.87Å; F32-V156 HydrophobicContact CD2-CG1 3.94Å; F32-V156 HydrophobicContact CE2-CG1 4.16Å; M87-V156 HydrophobicContact CE-CG2 4.28Å; N125-V156 WeakPolarHBondContact OD1-CG2 3.42Å; N125-V156 PolarHBondContact OD1-N 2.95Å; V156-I162 HydrophobicContact CB-CD1 4.37Å; V156-I162 HydrophobicContact CG1-CD1 4.48Å; V156-I162 HydrophobicContact CG2-CD1 4.26Å
157K95.5Very high97.1Very high90 Ų9049 Ų4939%0.39125%0.252SS..THydrogen-bonded Turntrans-63.6-49.8177.9174177.3141.6-137.80111R26 F32 D128 S155 N159R26-K157 PolarHBondContact NH2-O 3.13Å; F32-K157 HydrophobicContact CE1-CB 4.12Å; F32-K157 HydrophobicContact CE1-CG 4.02Å; F32-K157 HydrophobicContact CE2-CB 4.35Å; F32-K157 HydrophobicContact CZ-CB 3.87Å; F32-K157 HydrophobicContact CZ-CG 4.22Å; D128-K157 WeakPolarHBondContact OD2-CD 3.46Å; D128-K157 IonicContact OD2-NZ 2.6Å; D128-K157 PolarHBondContact OD2-NZ 3.41Å; S155-K157 PolarHBondContact O-N 3.48Å; S155-K157 PolarHBondContact OG-N 3.37Å; K157-N159 VanDerWaalsContact C-N 3.32Å
158E96.4Very high97Very high118 Ų11850.5 Ų50.555%0.55125%0.251SS*.THydrogen-bonded Turntrans-89.94.4-177.3-58-172.6164.700113.6D128 S155 K160D128-E158 VanDerWaalsContact CB-CD 3.47Å; D128-E158 HydrophobicContact CB-CG 4.05Å; D128-E158 WeakPolarHBondContact CB-OE1 3.29Å; S155-E158 PolarHBondContact O-N 3.3Å; S155-E158 PolarHBondContact OG-N 3.25Å; E158-K160 PolarHBondContact O-N 3.26Å
159N95.2Very high97Very high58 Ų5849.9 Ų49.931%0.3125%0.249SC..THydrogen-bonded Turntrans55.332.2-174.7-158.426.7000113.7S155 K157 I162S155-N159 CarbonylContact O-C 3.58Å; S155-N159 WeakPolarHBondContact O-CA 3.2Å; S155-N159 PolarHBondContact O-N 2.95Å; K157-N159 VanDerWaalsContact C-N 3.32Å; N159-I162 WeakPolarHBondContact OD1-CD1 3.32Å
160K97.9Very high97Very high75 Ų7546.5 Ų46.533%0.32623%0.227SC..BIsolated β-bridgetrans-87.7127.5-176.7-179.2177.2167.1-169.60111E153 T154 S155 E158 I162E153-K160 WeakPolarHBondContact OE1-CE 3.47Å; E153-K160 IonicContact OE1-NZ 2.77Å; E153-K160 PolarHBondContact OE1-NZ 3.1Å; T154-K160 WeakPolarHBondContact CA-O 3.44Å; S155-K160 PolarHBondContact N-O 3.41Å; S155-K160 PolarHBondContact O-N 2.98Å; E158-K160 PolarHBondContact O-N 3.26Å; K160-I162 PolarHBondContact O-N 2.98Å; K160-I162 VanDerWaalsContact O-N 3.13Å
161N97.6Very high97Very high49 Ų4948 Ų4826%0.26223%0.229SC..SBendtrans61.69.1173-63.7-20.9000116.3E153 T154 E164 A165E153-N161 VanDerWaalsContact O-CB 3.25Å; E153-N161 WeakPolarHBondContact O-CB 3.43Å; E153-N161 PolarHBondContact O-ND2 3.09Å; T154-N161 HydrophobicContact CG2-CB 4.15Å; N161-E164 WeakPolarHBondContact CA-OE2 3.22Å; N161-A165 WeakPolarHBondContact O-CB 2.89Å; N161-A165 PolarHBondContact O-N 3.32Å
162I96.8Very high96.8Very high1 Ų148.4 Ų48.41%0.00523%0.232CC..Hα-helixtrans-68.8-48.4-178.6-55176.6000110.4L23 R26 Y27 V156 N159 K160 A165 M166L23-I162 HydrophobicContact CD1-CG2 4.46Å; L23-I162 HydrophobicContact CG-CG2 4.43Å; R26-I162 HydrophobicContact CB-CD1 4.27Å; R26-I162 HydrophobicContact CG-CD1 3.53Å; Y27-I162 HydrophobicContact CD2-CG2 3.98Å; Y27-I162 HydrophobicContact CG-CG2 4.32Å; V156-I162 HydrophobicContact CB-CD1 4.37Å; V156-I162 HydrophobicContact CG1-CD1 4.48Å; V156-I162 HydrophobicContact CG2-CD1 4.26Å; N159-I162 WeakPolarHBondContact OD1-CD1 3.32Å; K160-I162 PolarHBondContact O-N 2.98Å; K160-I162 VanDerWaalsContact O-N 3.13Å; I162-A165 PolarHBondContact O-N 2.99Å; I162-M166 WeakPolarHBondContact O-CB 3.42Å; I162-M166 VanDerWaalsContact O-CG 3.29Å; I162-M166 WeakPolarHBondContact O-CG 3.3Å; I162-M166 PolarHBondContact O-N 2.77Å
163N95.1Very high96.7Very high79 Ų7946.8 Ų46.842%0.42222%0.222SC..Hα-helixtrans-66.3-42.8-176.7-68.6-32.1000111.1Y27 M166 R167Y27-N163 WeakPolarHBondContact CD2-OD1 3.33Å; Y27-N163 WeakPolarHBondContact CE2-OD1 3.37Å; N163-M166 PolarHBondContact O-N 2.94Å; N163-R167 VanDerWaalsContact O-CB 3.23Å; N163-R167 WeakPolarHBondContact O-CB 3.12Å; N163-R167 PolarHBondContact O-N 3.02Å
164E95.9Very high96.5Very high112 Ų11245.5 Ų45.552%0.52322%0.216SC..Hα-helixtrans-63.8-45.6178.4-65.970.6-156.500110.9N161 R167 V168N161-E164 WeakPolarHBondContact CA-OE2 3.22Å; E164-R167 PolarHBondContact O-N 3.1Å; E164-V168 WeakPolarHBondContact O-CG2 3.36Å; E164-V168 PolarHBondContact O-N 2.82Å; E164-V168 VanDerWaalsContact O-N 3.09Å
165A97.2Very high96.2Very high6 Ų652.4 Ų52.45%0.0524%0.242CC..Hα-helixtrans-57.9-51175.500000111.9L121 L123 T152 N161 I162 R167 V168 L169L121-A165 HydrophobicContact CD2-CB 3.79Å; L121-A165 WeakPolarHBondContact CD2-O 3.38Å; L123-A165 HydrophobicContact CD2-CB 3.91Å; T152-A165 HydrophobicContact CG2-CB 3.77Å; N161-A165 WeakPolarHBondContact O-CB 2.89Å; N161-A165 PolarHBondContact O-N 3.32Å; I162-A165 PolarHBondContact O-N 2.99Å; A165-R167 VanDerWaalsContact C-N 3.32Å; A165-R167 PolarHBondContact O-N 3.01Å; A165-V168 PolarHBondContact O-N 3.04Å; A165-L169 PolarHBondContact O-N 2.8Å
166M97.7Very high95.7Very high2 Ų252.8 Ų52.81%0.0124%0.244CC..Hα-helixtrans-65.8-36.3-179.5-67.3-57.5-64.400111.6V10 Y27 L59 L61 V85 I162 N163 L169 I170V10-M166 HydrophobicContact CG1-CE 4.49Å; Y27-M166 HydrophobicContact CD1-CE 4.11Å; Y27-M166 HydrophobicContact CD1-CG 3.99Å; Y27-M166 HydrophobicContact CD2-CG 4.14Å; Y27-M166 HydrophobicContact CE1-CB 3.84Å; Y27-M166 HydrophobicContact CE1-CE 3.82Å; Y27-M166 HydrophobicContact CE1-CG 3.78Å; Y27-M166 HydrophobicContact CE2-CB 3.82Å; Y27-M166 HydrophobicContact CE2-CG 3.95Å; Y27-M166 HydrophobicContact CG-CG 4.17Å; Y27-M166 VanDerWaalsContact CZ-CB 3.43Å; Y27-M166 WeakPolarHBondContact OH-CB 3.33Å; L59-M166 HydrophobicContact CD1-CE 4.18Å; L61-M166 HydrophobicContact CD2-CE 3.9Å; V85-M166 HydrophobicContact CG2-SD 4.18Å; I162-M166 WeakPolarHBondContact O-CB 3.42Å; I162-M166 VanDerWaalsContact O-CG 3.29Å; I162-M166 WeakPolarHBondContact O-CG 3.3Å; I162-M166 PolarHBondContact O-N 2.77Å; N163-M166 PolarHBondContact O-N 2.94Å; M166-L169 PolarHBondContact O-N 2.8Å; M166-I170 WeakPolarHBondContact O-CD1 3.33Å; M166-I170 WeakPolarHBondContact O-CG1 3.49Å; M166-I170 PolarHBondContact O-N 3.02Å
167R96.4Very high95.2Very high142 Ų14253.9 Ų53.954%0.53625%0.252SS..Hα-helixtrans-60.8-47.2176.3-173.8-178.1178.8123.12112.2W51 N163 E164 A165 L169 I170 E171W51-R167 HydrophobicContact CH2-CG 3.78Å; W51-R167 HydrophobicContact CZ3-CG 4.06Å; N163-R167 VanDerWaalsContact O-CB 3.23Å; N163-R167 WeakPolarHBondContact O-CB 3.12Å; N163-R167 PolarHBondContact O-N 3.02Å; E164-R167 PolarHBondContact O-N 3.1Å; A165-R167 VanDerWaalsContact C-N 3.32Å; A165-R167 PolarHBondContact O-N 3.01Å; R167-L169 VanDerWaalsContact C-N 3.26Å; R167-L169 PolarHBondContact O-N 3.05Å; R167-I170 PolarHBondContact O-N 3.48Å; R167-E171 IonicContact NE-OE1 3.5Å; R167-E171 PolarHBondContact NE-OE1 3.37Å; R167-E171 WeakPolarHBondContact O-CG 3.5Å; R167-E171 PolarHBondContact O-N 2.69Å
168V95.6Very high94.7Very high81 Ų8155 Ų5549%0.49125%0.253SS..Hα-helixtrans-59.9-40.2177.3171.50000111.1E164 A165 E171 K172E164-V168 WeakPolarHBondContact O-CG2 3.36Å; E164-V168 PolarHBondContact O-N 2.82Å; E164-V168 VanDerWaalsContact O-N 3.09Å; A165-V168 PolarHBondContact O-N 3.04Å; V168-E171 PolarHBondContact O-N 3.37Å; V168-K172 PolarHBondContact O-N 2.93Å; V168-K172 VanDerWaalsContact O-N 3.12Å
169L97.1Very high93.9Very high3 Ų354.5 Ų54.52%0.01625%0.251CS..Hα-helixtrans-66.7-42.9177.2-165.559.6000112.1V10 A83 V85 P119 L121 A165 M166 R167 K172 M173V10-L169 HydrophobicContact CG1-CD2 4.03Å; A83-L169 HydrophobicContact CB-CD1 3.77Å; A83-L169 HydrophobicContact CB-CD2 3.86Å; A83-L169 HydrophobicContact CB-CG 3.75Å; V85-L169 HydrophobicContact CG2-CD2 3.56Å; P119-L169 HydrophobicContact CB-CD1 4.13Å; L121-L169 HydrophobicContact CB-CD1 4.31Å; A165-L169 PolarHBondContact O-N 2.8Å; M166-L169 PolarHBondContact O-N 2.8Å; R167-L169 VanDerWaalsContact C-N 3.26Å; R167-L169 PolarHBondContact O-N 3.05Å; L169-K172 PolarHBondContact O-N 3.43Å; L169-M173 HydrophobicContact CG-CE 4.5Å; L169-M173 WeakPolarHBondContact O-CG 3.28Å; L169-M173 PolarHBondContact O-N 3.06Å
170I97.4Very high92.9Very high1 Ų153.8 Ų53.81%0.00525%0.247CC..Hα-helixtrans-59.3-46.3174.1-66.2156.9000110.6L49 W51 V57 L59 M166 R167 K172 M173 M174L49-I170 HydrophobicContact CD1-CD1 3.48Å; L49-I170 VanDerWaalsContact CD1-CD1 3.48Å; W51-I170 HydrophobicContact CD2-CG2 4.36Å; W51-I170 HydrophobicContact CE3-CG2 3.91Å; W51-I170 HydrophobicContact CH2-CG2 4.09Å; W51-I170 HydrophobicContact CZ3-CB 4.29Å; W51-I170 HydrophobicContact CZ3-CG2 3.75Å; V57-I170 HydrophobicContact CG1-CG2 4.11Å; V57-I170 HydrophobicContact CG2-CG2 4.24Å; L59-I170 HydrophobicContact CD1-CD1 3.81Å; L59-I170 HydrophobicContact CD1-CG1 3.92Å; L59-I170 HydrophobicContact CD2-CG1 4.2Å; M166-I170 WeakPolarHBondContact O-CD1 3.33Å; M166-I170 WeakPolarHBondContact O-CG1 3.49Å; M166-I170 PolarHBondContact O-N 3.02Å; R167-I170 PolarHBondContact O-N 3.48Å; I170-K172 VanDerWaalsContact C-N 3.26Å; I170-K172 PolarHBondContact O-N 2.94Å; I170-M173 HydrophobicContact CB-CE 4.49Å; I170-M173 HydrophobicContact CG1-CE 4.18Å; I170-M173 PolarHBondContact O-N 3.47Å; I170-M174 HydrophobicContact CG2-CG 3.99Å; I170-M174 WeakPolarHBondContact O-CB 3.32Å; I170-M174 WeakPolarHBondContact O-CG 3.43Å; I170-M174 PolarHBondContact O-N 3.24Å
171E96.1Very high91.8Very high54 Ų5455 Ų5525%0.25226%0.256SS..Hα-helixtrans-57.8-40.9178.1-76.2177-164.900111.9W51 R167 V168 R175W51-E171 HydrophobicContact CH2-CG 3.56Å; W51-E171 HydrophobicContact CZ2-CG 3.54Å; R167-E171 IonicContact NE-OE1 3.5Å; R167-E171 PolarHBondContact NE-OE1 3.37Å; R167-E171 WeakPolarHBondContact O-CG 3.5Å; R167-E171 PolarHBondContact O-N 2.69Å; V168-E171 PolarHBondContact O-N 3.37Å; E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 3.21Å; E171-R175 IonicContact OE2-NH2 2.62Å
172K95.2Very high90.5Very high68 Ų6858.8 Ų58.830%0.29627%0.274SS..Hα-helixtrans-66.2-44.9176.7-174.657.6176157.70111.9P119 T149 V168 L169 I170 M174 R175 N176P119-K172 HydrophobicContact CB-CG 3.8Å; P119-K172 HydrophobicContact CG-CG 3.74Å; T149-K172 HydrophobicContact CG2-CG 4.38Å; V168-K172 PolarHBondContact O-N 2.93Å; V168-K172 VanDerWaalsContact O-N 3.12Å; L169-K172 PolarHBondContact O-N 3.43Å; I170-K172 VanDerWaalsContact C-N 3.26Å; I170-K172 PolarHBondContact O-N 2.94Å; K172-M174 PolarHBondContact O-N 3.23Å; K172-R175 PolarHBondContact O-N 3.37Å; K172-N176 PolarHBondContact NZ-OD1 2.91Å; K172-N176 PolarHBondContact O-N 3.15Å; K172-N176 VanDerWaalsContact O-N 3.1Å; K172-N176 PolarHBondContact O-OD1 3.14Å
173M95.6Very high89Confident6 Ų661.4 Ų61.43%0.0329%0.293CS..Hα-helixtrans-62.7-42176.3-68.5-175.2-67.800112.4F8 V10 L59 A83 L169 I170 R175 N176 S177F8-M173 HydrophobicContact CB-CE 3.93Å; F8-M173 HydrophobicContact CB-SD 3.64Å; F8-M173 HydrophobicContact CD1-CB 4.04Å; F8-M173 HydrophobicContact CD1-SD 4.17Å; F8-M173 HydrophobicContact CD2-CB 4.15Å; F8-M173 HydrophobicContact CD2-CE 4Å; F8-M173 HydrophobicContact CD2-SD 4.27Å; F8-M173 HydrophobicContact CE1-CB 3.95Å; F8-M173 HydrophobicContact CE2-CB 4.06Å; F8-M173 HydrophobicContact CG-CB 4.14Å; F8-M173 HydrophobicContact CG-CE 4.06Å; F8-M173 HydrophobicContact CG-SD 3.78Å; F8-M173 HydrophobicContact CZ-CB 3.96Å; V10-M173 HydrophobicContact CG2-CE 3.92Å; V10-M173 HydrophobicContact CG2-SD 4.15Å; L59-M173 HydrophobicContact CD2-CE 3.97Å; A83-M173 HydrophobicContact CB-CE 4.31Å; A83-M173 HydrophobicContact CB-CG 3.8Å; A83-M173 HydrophobicContact CB-SD 3.35Å; A83-M173 WeakPolarHBondContact CB-SD 3.32Å; L169-M173 HydrophobicContact CG-CE 4.5Å; L169-M173 WeakPolarHBondContact O-CG 3.28Å; L169-M173 PolarHBondContact O-N 3.06Å; I170-M173 HydrophobicContact CB-CE 4.49Å; I170-M173 HydrophobicContact CG1-CE 4.18Å; I170-M173 PolarHBondContact O-N 3.47Å; M173-R175 VanDerWaalsContact C-N 3.32Å; M173-R175 PolarHBondContact O-N 3.42Å; M173-N176 PolarHBondContact O-N 3.28Å; M173-S177 WeakPolarHBondContact O-CB 3.38Å; M173-S177 PolarHBondContact O-N 3.34Å
174M94.6Very high87.4Confident6 Ų663.4 Ų63.43%0.0330%0.303CS..Hα-helixtrans-62.8-37.5177.5-72.1-71.5-71.400112.2H6 F8 W51 E55 V57 I170 K172 R178H6-M174 HydrophobicContact CB-SD 4.01Å; H6-M174 WeakPolarHBondContact NE2-CE 3.5Å; F8-M174 HydrophobicContact CE2-CG 3.95Å; F8-M174 HydrophobicContact CE2-SD 3.55Å; F8-M174 VanDerWaalsContact CE2-SD 3.55Å; F8-M174 HydrophobicContact CZ-CG 4.27Å; F8-M174 HydrophobicContact CZ-SD 3.79Å; W51-M174 HydrophobicContact CG-CE 4.45Å; E55-M174 WeakPolarHBondContact OE1-CE 3.2Å; V57-M174 HydrophobicContact CG2-CE 4.36Å; V57-M174 HydrophobicContact CG2-CG 4.5Å; V57-M174 HydrophobicContact CG2-SD 3.77Å; I170-M174 HydrophobicContact CG2-CG 3.99Å; I170-M174 WeakPolarHBondContact O-CB 3.32Å; I170-M174 WeakPolarHBondContact O-CG 3.43Å; I170-M174 PolarHBondContact O-N 3.24Å; K172-M174 PolarHBondContact O-N 3.23Å; M174-R178 VanDerWaalsContact O-CG 3.28Å; M174-R178 WeakPolarHBondContact O-CG 3.22Å; M174-R178 PolarHBondContact O-N 3.28Å
175R92.3Very high85.7Confident146 Ų14662.3 Ų62.355%0.55131%0.307SS*.Hα-helixtrans-64.9-51.4174.4-73.3174-166.6167.19.1111.1E171 K172 M173 S177 R178 E179E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 3.21Å; E171-R175 IonicContact OE2-NH2 2.62Å; K172-R175 PolarHBondContact O-N 3.37Å; M173-R175 VanDerWaalsContact C-N 3.32Å; M173-R175 PolarHBondContact O-N 3.42Å; R175-S177 VanDerWaalsContact C-N 3.31Å; R175-S177 PolarHBondContact O-N 2.61Å; R175-R178 PolarHBondContact O-N 2.92Å; R175-R178 VanDerWaalsContact O-N 3.11Å; R175-E179 PolarHBondContact O-N 3.17Å; R175-E179 VanDerWaalsContact O-N 3.15Å
176N88.5Confident83.7Confident7 Ų767.7 Ų67.74%0.03734%0.339CS..Hα-helixtrans-58.5-42.7178.8-68.518.9000111.5L112 K172 M173 R178 E179 D180L112-N176 WeakPolarHBondContact CD1-ND2 3.43Å; K172-N176 PolarHBondContact NZ-OD1 2.91Å; K172-N176 PolarHBondContact O-N 3.15Å; K172-N176 VanDerWaalsContact O-N 3.1Å; K172-N176 PolarHBondContact O-OD1 3.14Å; M173-N176 PolarHBondContact O-N 3.28Å; N176-R178 VanDerWaalsContact C-N 3.32Å; N176-R178 PolarHBondContact O-N 3.09Å; N176-E179 PolarHBondContact O-N 3.27Å; N176-D180 PolarHBondContact O-N 3.36Å
177S86.4Confident81.4Confident27 Ų2774.6 Ų74.619%0.18937%0.372CS..Hα-helixtrans-62.5-34.9177.51760000113.5M173 R175 I181M173-S177 WeakPolarHBondContact O-CB 3.38Å; M173-S177 PolarHBondContact O-N 3.34Å; R175-S177 VanDerWaalsContact C-N 3.31Å; R175-S177 PolarHBondContact O-N 2.61Å; S177-I181 WeakPolarHBondContact O-CG1 3.36Å; S177-I181 PolarHBondContact O-N 2.96Å
178R84.6Confident78.8Confident114 Ų11470.3 Ų70.343%0.4337%0.372SS..Hα-helixtrans-70.4-38.9176.8-72.9170.3-179.6-169.7-0.4111.7E55 M174 R175 N176 I181 M182E55-R178 IonicContact OE1-CZ 3.18Å; E55-R178 IonicContact OE1-NE 2.87Å; E55-R178 IonicContact OE1-NH2 3.2Å; E55-R178 PolarHBondContact OE1-NH2 3.2Å; E55-R178 IonicContact OE2-NH2 3.85Å; E55-R178 PolarHBondContact OE2-NH2 3.32Å; M174-R178 VanDerWaalsContact O-CG 3.28Å; M174-R178 WeakPolarHBondContact O-CG 3.22Å; M174-R178 PolarHBondContact O-N 3.28Å; R175-R178 PolarHBondContact O-N 2.92Å; R175-R178 VanDerWaalsContact O-N 3.11Å; N176-R178 VanDerWaalsContact C-N 3.32Å; N176-R178 PolarHBondContact O-N 3.09Å; R178-I181 PolarHBondContact O-N 2.91Å; R178-M182 WeakPolarHBondContact O-CG 3.2Å; R178-M182 PolarHBondContact O-N 3.29Å
179E78.4Confident76.4Confident108 Ų10873.5 Ų73.551%0.50539%0.386SS..Hα-helixtrans-63.9-41.4175.9-69.4169.1-176.800111.1R175 N176 I181 M182 S183R175-E179 PolarHBondContact O-N 3.17Å; R175-E179 VanDerWaalsContact O-N 3.15Å; N176-E179 PolarHBondContact O-N 3.27Å; E179-I181 PolarHBondContact O-N 3.28Å; E179-M182 PolarHBondContact O-N 3.47Å; E179-S183 PolarHBondContact O-N 2.84Å; E179-S183 PolarHBondContact O-OG 3.44Å
180D74.6Confident73.7Confident42 Ų4284.2 Ų84.223%0.22543%0.428CS..Hα-helixtrans-60.8-46.2175-69.8-22000111.6N176 M182 S183 L184N176-D180 PolarHBondContact O-N 3.36Å; D180-M182 VanDerWaalsContact C-N 3.35Å; D180-M182 PolarHBondContact O-N 3.3Å; D180-S183 PolarHBondContact O-N 3.06Å; D180-S183 PolarHBondContact O-OG 3.49Å; D180-L184 WeakPolarHBondContact O-CG 3.22Å; D180-L184 PolarHBondContact O-N 2.94Å; D180-L184 VanDerWaalsContact O-N 3.1Å
181I74.7Confident71.2Confident100 Ų10090.8 Ų90.851%0.51346%0.462SS..Hα-helixtrans-63.1-41.6177.6-67164.9000111.3S177 R178 E179 S185S177-I181 WeakPolarHBondContact O-CG1 3.36Å; S177-I181 PolarHBondContact O-N 2.96Å; R178-I181 PolarHBondContact O-N 2.91Å; E179-I181 PolarHBondContact O-N 3.28Å; I181-S185 PolarHBondContact O-N 3.02Å; I181-S185 PolarHBondContact O-OG 2.94Å
182M69.6Low68.4Low129 Ų12994.4 Ų94.464%0.63548%0.483SS*.Hα-helixtrans-63.6-44.8177.8-75.8-179.370.100111.3R178 E179 D180 L184 S185 T186R178-M182 WeakPolarHBondContact O-CG 3.2Å; R178-M182 PolarHBondContact O-N 3.29Å; E179-M182 PolarHBondContact O-N 3.47Å; D180-M182 VanDerWaalsContact C-N 3.35Å; D180-M182 PolarHBondContact O-N 3.3Å; M182-L184 PolarHBondContact O-N 2.75Å; M182-S185 PolarHBondContact O-N 2.77Å; M182-S185 VanDerWaalsContact O-N 3.15Å; M182-S185 PolarHBondContact O-OG 3.16Å; M182-T186 PolarHBondContact O-N 2.93Å; M182-T186 VanDerWaalsContact O-N 3.13Å; M182-T186 PolarHBondContact O-OG1 2.86Å
183S65.7Low66Low57 Ų5798.6 Ų98.640%0.39951%0.507SS..Hα-helixtrans-61.8-41.1179.167.40000112.8E179 D180 S185 T186 Q187E179-S183 PolarHBondContact O-N 2.84Å; E179-S183 PolarHBondContact O-OG 3.44Å; D180-S183 PolarHBondContact O-N 3.06Å; D180-S183 PolarHBondContact O-OG 3.49Å; S183-S185 PolarHBondContact O-N 2.6Å; S183-T186 WeakPolarHBondContact CA-OG1 3.15Å; S183-T186 PolarHBondContact O-N 2.94Å; S183-T186 PolarHBondContact O-OG1 3.15Å; S183-Q187 PolarHBondContact O-N 3.46Å
184L61.3Low63.2Low121 Ų121105.7 Ų105.763%0.63454%0.541SS*.Hα-helixtrans-63.8-38.1173.7-72.2166.2000112.4D180 M182 T186 Q187D180-L184 WeakPolarHBondContact O-CG 3.22Å; D180-L184 PolarHBondContact O-N 2.94Å; D180-L184 VanDerWaalsContact O-N 3.1Å; M182-L184 PolarHBondContact O-N 2.75Å; L184-T186 VanDerWaalsContact C-N 3.31Å; L184-T186 PolarHBondContact O-N 3.01Å; L184-Q187 CarbonylContact O-C 3.59Å; L184-Q187 PolarHBondContact O-N 2.94Å
185S60.8Low60.7Low88 Ų88111.3 Ų111.362%0.61558%0.575SS**Hα-helixtrans-69.2-27.2178.471.40000113.7I181 M182 S183I181-S185 PolarHBondContact O-N 3.02Å; I181-S185 PolarHBondContact O-OG 2.94Å; M182-S185 PolarHBondContact O-N 2.77Å; M182-S185 VanDerWaalsContact O-N 3.15Å; M182-S185 PolarHBondContact O-OG 3.16Å; S183-S185 PolarHBondContact O-N 2.6Å
186T55.3Low57.9Low119 Ų119114.3 Ų114.373%0.7359%0.592SS**Hα-helixtrans-81.1-21.4173.131.80000114M182 S183 L184 G188M182-T186 PolarHBondContact O-N 2.93Å; M182-T186 VanDerWaalsContact O-N 3.13Å; M182-T186 PolarHBondContact O-OG1 2.86Å; S183-T186 WeakPolarHBondContact CA-OG1 3.15Å; S183-T186 PolarHBondContact O-N 2.94Å; S183-T186 PolarHBondContact O-OG1 3.15Å; L184-T186 VanDerWaalsContact C-N 3.31Å; L184-T186 PolarHBondContact O-N 3.01Å; T186-G188 VanDerWaalsContact C-N 3.27Å; T186-G188 PolarHBondContact O-N 2.94Å
187Q49.7Very low55.8Low148 Ų148119 Ų11969%0.69263%0.626SS**THydrogen-bonded Turntrans-93.939.7172.4-71.7-176.6-4.700111.6S183 L184 D189S183-Q187 PolarHBondContact O-N 3.46Å; L184-Q187 CarbonylContact O-C 3.59Å; L184-Q187 PolarHBondContact O-N 2.94Å; Q187-D189 VanDerWaalsContact C-N 3.32Å; Q187-D189 PolarHBondContact O-N 3.32Å
188G42.6Very low53.5Low52 Ų52123.5 Ų123.554%0.53666%0.657SS.*  trans-65.193170.100000110.3T186 Y190T186-G188 VanDerWaalsContact C-N 3.27Å; T186-G188 PolarHBondContact O-N 2.94Å; G188-Y190 PolarHBondContact O-N 3.01Å
189D44Very low51.2Low147 Ų147123.4 Ų123.479%0.78667%0.674SS**  trans-53108.5169-75.9-36.4000109.8Q187 I191Q187-D189 VanDerWaalsContact C-N 3.32Å; Q187-D189 PolarHBondContact O-N 3.32Å; D189-I191 VanDerWaalsContact C-N 3.33Å; D189-I191 PolarHBondContact O-N 3.07Å
190Y40.7Very low49.3Very low228 Ų228130.3 Ų130.389%0.89470%0.696SS**  trans-65.497.2159.7-75.6-88.7000107.8G188 N192G188-Y190 PolarHBondContact O-N 3.01Å; Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 2.83Å
191I44.7Very low47.4Very low140 Ų140133.9 Ų133.972%0.71872%0.724SS**  trans-6998.3160.6-56.4177.4000106.4D189 L193D189-I191 VanDerWaalsContact C-N 3.33Å; D189-I191 PolarHBondContact O-N 3.07Å; I191-L193 HydrophobicContact CG2-CD2 4.43Å; I191-L193 HydrophobicContact CG2-CG 4.11Å; I191-L193 PolarHBondContact O-N 2.85Å
192N36.4Very low45.6Very low129 Ų129135.1 Ų135.169%0.6974%0.74SS**  trans-72.491.3174-166.8-8.4000109.4Y190 Q194Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 2.83Å; N192-Q194 PolarHBondContact O-N 3.12Å; N192-Q194 VanDerWaalsContact O-N 3.1Å; N192-Q194 PolarHBondContact OD1-N 3.07Å
193L44.8Very low44.5Very low156 Ų156138.4 Ų138.482%0.81777%0.773SS**  trans-79.874.9166.8-71.6169.1000109.3I191I191-L193 HydrophobicContact CG2-CD2 4.43Å; I191-L193 HydrophobicContact CG2-CG 4.11Å; I191-L193 PolarHBondContact O-N 2.85Å
194Q36.8Very low43.5Very low156 Ų156142.5 Ų142.573%0.72979%0.792SS**  trans-121.994.2161.6-74.2-165-6.300110.9N192N192-Q194 PolarHBondContact O-N 3.12Å; N192-Q194 VanDerWaalsContact O-N 3.1Å; N192-Q194 PolarHBondContact OD1-N 3.07Å
195T43.1Very low42.5Very low124 Ų124143.6 Ų143.676%0.76180%0.8SS**  trans41.5108.413553.30000118.8
196K33.9Very low41.5Very low209 Ų209146.7 Ų146.791%0.90981%0.81SS**  -132.9102.2126.8-84.1-167.9177.4178.20110.4
197S43.7Very low40.7Very low106 Ų106148.3 Ų148.374%0.74182%0.815SS**  trans-66.2154.6151.153.20000110.3
198S38.1Very low40.2Very low120 Ų120148.3 Ų148.384%0.83982%0.823SS**  trans81134.3174.577.50000115.2
199S36.7Very low40Very low112 Ų112154.7 Ų154.778%0.78384%0.842SS**  cis-156.3145.98.91760000108.2
200W38Very low39.7Very low254 Ų254155.3 Ų155.396%0.96285%0.846SS**  trans-53.9137.9159.2-83.1-36.8000110.6
201S35.7Very low39.6Very low117 Ų117149.7 Ų149.782%0.81884%0.842SS**  trans-154.8128.7137.5114.40000108.7
202C37.1Very low39.2Very low126 Ų126150.5 Ų150.585%0.85185%0.853SS**  trans-94.9135.4173.8-169.20000107.1
203C46.2Very low39.5Very low197 Ų197152.5 Ų152.5100%1.33187%0.867SS**  trans-147.10154.3-80.80000107

Retrieved 203 of 203 residues in 44.7 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).