A0A077Z8J5_TRITR Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z8J5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 90 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
1M65.8Low76.3Confident150 Ų15056.6 Ų56.674%0.73928%0.282SS*.  0133.50-96.3-172.8173.500107.3S5 R6 V27 I58M1-S5 WeakPolarHBondContact CB-OG 3.33Å; M1-R6 HydrophobicContact CE-CB 4.4Å; M1-R6 HydrophobicContact SD-CB 4.15Å; M1-V27 HydrophobicContact CB-CG1 4.09Å; M1-V27 HydrophobicContact CB-CG2 3.74Å; M1-V27 HydrophobicContact CG-CG2 4.43Å; M1-V27 HydrophobicContact SD-CG2 3.94Å; M1-I58 HydrophobicContact CE-CD1 4.24Å
2D74Confident75.9Confident91 Ų9156.8 Ų56.849%0.48729%0.288SS..  trans-68.1147.8175.4-50.4-59.8000109.8W4 S5 K57D2-W4 PolarHBondContact O-N 3.29Å; D2-S5 PolarHBondContact N-OG 2.99Å; D2-S5 WeakPolarHBondContact O-CB 3.33Å; D2-S5 PolarHBondContact O-N 2.91Å; D2-S5 PolarHBondContact O-OG 3.43Å; D2-K57 IonicContact OD2-NZ 2.83Å; D2-K57 PolarHBondContact OD2-NZ 3.13Å
3P74.3Confident75.2Confident96 Ų9660.2 Ų60.262%0.62330%0.302SS*.THydrogen-bonded Turntrans-47.4138.5167.1-28.737.2000110.9S5 T28P3-S5 PolarHBondContact O-N 3.15Å; P3-S5 VanDerWaalsContact O-N 3.14Å; P3-T28 HydrophobicContact CB-CG2 3.7Å; P3-T28 HydrophobicContact CG-CG2 4.1Å
4W75.8Confident74.4Confident31 Ų3160.9 Ų60.912%0.11731%0.313CS..THydrogen-bonded Turntrans65.36.7-178.2-151.5-101.7000115.7D2 R6 V7 A23 D25 V49 R53 A54 P56D2-W4 PolarHBondContact O-N 3.29Å; W4-R6 VanDerWaalsContact C-N 3.28Å; W4-R6 PolarHBondContact O-N 3.33Å; W4-V7 HydrophobicContact CD2-CG2 3.72Å; W4-V7 HydrophobicContact CE3-CG2 4.16Å; W4-V7 HydrophobicContact CG-CG2 4Å; W4-V7 HydrophobicContact CZ2-CG2 4.17Å; W4-A23 HydrophobicContact CH2-CB 4.48Å; W4-D25 HydrophobicContact CE3-CB 3.76Å; W4-D25 HydrophobicContact CZ3-CB 4.09Å; W4-D25 VanDerWaalsContact N-CG 3.25Å; W4-D25 PolarHBondContact N-OD1 3.27Å; W4-D25 PolarHBondContact N-OD2 3.11Å; W4-V49 HydrophobicContact CZ2-CG1 4.27Å; W4-R53 HydrophobicContact CD2-CB 4.2Å; W4-R53 HydrophobicContact CH2-CB 4.45Å; W4-R53 HydrophobicContact CZ2-CB 3.88Å; W4-A54 VanDerWaalsContact CD1-O 3.27Å; W4-A54 PolarHBondContact NE1-O 3.09Å; W4-P56 WeakPolarHBondContact O-CA 3.27Å; W4-P56 WeakPolarHBondContact O-CB 3.03Å
5S80.3Confident73.5Confident9 Ų969.3 Ų69.36%0.06335%0.347CS..SBendtrans-68.2-27177.658.60000113.4M1 D2 P3 K57 I58M1-S5 WeakPolarHBondContact CB-OG 3.33Å; D2-S5 PolarHBondContact N-OG 2.99Å; D2-S5 WeakPolarHBondContact O-CB 3.33Å; D2-S5 PolarHBondContact O-N 2.91Å; D2-S5 PolarHBondContact O-OG 3.43Å; P3-S5 PolarHBondContact O-N 3.15Å; P3-S5 VanDerWaalsContact O-N 3.14Å; S5-K57 WeakPolarHBondContact O-CB 3.28Å; S5-K57 PolarHBondContact O-N 2.86Å; S5-K57 VanDerWaalsContact O-N 3.13Å; S5-I58 PolarHBondContact O-N 2.93Å
6R81.3Confident72.8Confident107 Ų10769.1 Ų69.140%0.40437%0.368SS..EExtended strand (participates in β ladder)trans-135.4111.3178.7-178.9-177.4178.3172.80.7110.3M1 W4 S26 V27 I58 V60M1-R6 HydrophobicContact CE-CB 4.4Å; M1-R6 HydrophobicContact SD-CB 4.15Å; W4-R6 VanDerWaalsContact C-N 3.28Å; W4-R6 PolarHBondContact O-N 3.33Å; R6-S26 WeakPolarHBondContact CB-OG 2.9Å; R6-S26 VanDerWaalsContact CD-OG 3.3Å; R6-S26 WeakPolarHBondContact CD-OG 3.33Å; R6-S26 WeakPolarHBondContact CG-OG 3.26Å; R6-S26 WeakPolarHBondContact O-CB 3.18Å; R6-S26 PolarHBondContact O-N 3.31Å; R6-S26 PolarHBondContact O-OG 3.07Å; R6-V27 HydrophobicContact CB-CG2 4.49Å; R6-I58 WeakPolarHBondContact CA-O 3.31Å; R6-I58 HydrophobicContact CB-CB 4.31Å; R6-I58 HydrophobicContact CG-CB 4.19Å; R6-I58 HydrophobicContact CG-CG2 4.2Å; R6-V60 HydrophobicContact CG-CG2 4.13Å
7V80.3Confident72.3Confident0 Ų068.2 Ų68.20%038%0.379CS..EExtended strand (participates in β ladder)trans-114.6124.3-175.81780000109.4W4 I9 A23 V24 P56 I58 L59 V60W4-V7 HydrophobicContact CD2-CG2 3.72Å; W4-V7 HydrophobicContact CE3-CG2 4.16Å; W4-V7 HydrophobicContact CG-CG2 4Å; W4-V7 HydrophobicContact CZ2-CG2 4.17Å; V7-I9 HydrophobicContact CG1-CG2 3.95Å; V7-A23 HydrophobicContact CG1-CB 3.92Å; V7-V24 CarbonylContact C-O 3.59Å; V7-V24 WeakPolarHBondContact CA-O 3.45Å; V7-P56 HydrophobicContact CB-CB 4.07Å; V7-P56 HydrophobicContact CB-CG 4.31Å; V7-P56 HydrophobicContact CG2-CB 3.71Å; V7-P56 HydrophobicContact CG2-CG 4.28Å; V7-I58 PolarHBondContact N-O 3.01Å; V7-L59 HydrophobicContact CB-CD1 4.29Å; V7-L59 HydrophobicContact CG1-CD1 4.45Å; V7-V60 PolarHBondContact O-N 3.26Å
8H79.9Confident71.9Confident76 Ų7674.1 Ų74.135%0.35239%0.394SS..EExtended strand (participates in β ladder)trans-84133.1168.2-170.553.2000109.1A23 V24 V60H8-A23 CarbonylContact O-C 3.57Å; H8-A23 WeakPolarHBondContact O-CA 3.39Å; H8-V24 PolarHBondContact N-O 3.2Å; H8-V24 PolarHBondContact O-N 3.3Å; H8-V60 WeakPolarHBondContact CA-O 3.37Å; H8-V60 PolarHBondContact ND1-O 3.48Å
9I77.8Confident71.6Confident0 Ų076.4 Ų76.40%040%0.398CS..EExtended strand (participates in β ladder)trans-122.9143.3178.262.8175.6000111.1V7 F21 V22 A23 L46 L59 V60 P61 D62 F67 F72V7-I9 HydrophobicContact CG1-CG2 3.95Å; I9-F21 HydrophobicContact CB-CE2 3.73Å; I9-F21 HydrophobicContact CB-CZ 3.94Å; I9-F21 HydrophobicContact CD1-CE2 4.24Å; I9-F21 HydrophobicContact CG1-CE2 4.5Å; I9-F21 HydrophobicContact CG2-CE2 3.92Å; I9-F21 HydrophobicContact CG2-CZ 3.57Å; I9-V22 CarbonylContact C-O 3.54Å; I9-V22 VanDerWaalsContact CA-O 3.24Å; I9-V22 WeakPolarHBondContact CA-O 3.35Å; I9-A23 HydrophobicContact CG2-CB 4.13Å; I9-L46 HydrophobicContact CD1-CD2 4.11Å; I9-L59 HydrophobicContact CB-CD1 4.48Å; I9-L59 HydrophobicContact CD1-CD1 3.9Å; I9-L59 HydrophobicContact CD1-CD2 3.69Å; I9-L59 HydrophobicContact CD1-CG 3.69Å; I9-L59 HydrophobicContact CG1-CD1 4.2Å; I9-L59 HydrophobicContact CG1-CG 4.26Å; I9-L59 HydrophobicContact CG2-CD1 3.54Å; I9-L59 HydrophobicContact CG2-CG 4.47Å; I9-V60 PolarHBondContact N-O 3.33Å; I9-P61 HydrophobicContact CD1-CB 4.28Å; I9-P61 HydrophobicContact CG1-CB 4.07Å; I9-D62 PolarHBondContact O-N 3.2Å; I9-F67 HydrophobicContact CB-CE1 4.36Å; I9-F67 HydrophobicContact CB-CZ 4.16Å; I9-F67 HydrophobicContact CD1-CD1 3.88Å; I9-F67 HydrophobicContact CD1-CE1 3.25Å; I9-F67 HydrophobicContact CD1-CZ 3.9Å; I9-F67 HydrophobicContact CG1-CD1 4.34Å; I9-F67 HydrophobicContact CG1-CE1 3.57Å; I9-F67 HydrophobicContact CG1-CZ 3.66Å; I9-F72 HydrophobicContact CD1-CE2 4.01Å; I9-F72 HydrophobicContact CD1-CZ 3.7Å
10D78Confident71.4Confident42 Ų4274 Ų7423%0.22539%0.385CS..EExtended strand (participates in β ladder)trans-142.3147.5-179.7-1739.2000109.9V12 V22D10-V12 WeakPolarHBondContact OD2-CG2 3.22Å; D10-V22 HydrophobicContact CB-CB 4.38Å; D10-V22 PolarHBondContact N-O 3Å; D10-V22 PolarHBondContact O-N 2.96Å
11F72.2Confident71.5Confident21 Ų2170.5 Ų70.59%0.09237%0.367CS..EExtended strand (participates in β ladder)trans-113.2102.2170-78.1-72.6000109Y19 L20 F21 R42 A66 F67F11-Y19 HydrophobicContact CB-CD1 4.42Å; F11-L20 CarbonylContact C-O 3.56Å; F11-L20 WeakPolarHBondContact CA-O 3.26Å; F11-F21 HydrophobicContact CD1-CB 4.16Å; F11-F21 HydrophobicContact CD1-CD2 4.02Å; F11-F21 HydrophobicContact CE1-CB 3.82Å; F11-F21 AromaticContact CE1-CD2 3.5Å; F11-F21 HydrophobicContact CE1-CD2 3.5Å; F11-F21 HydrophobicContact CE1-CE2 4.49Å; F11-F21 HydrophobicContact CE1-CG 4.06Å; F11-F21 HydrophobicContact CE2-CD2 4.09Å; F11-F21 HydrophobicContact CE2-CE2 4.41Å; F11-F21 AromaticContact CZ-CD2 3.52Å; F11-F21 HydrophobicContact CZ-CD2 3.52Å; F11-F21 HydrophobicContact CZ-CE2 4.1Å; F11-F21 HydrophobicContact CZ-CG 4.41Å; F11-R42 HydrophobicContact CE1-CB 4.3Å; F11-R42 HydrophobicContact CE1-CG 3.87Å; F11-R42 HydrophobicContact CE2-CB 4.3Å; F11-R42 HydrophobicContact CE2-CG 4.05Å; F11-R42 HydrophobicContact CZ-CB 3.73Å; F11-R42 HydrophobicContact CZ-CG 3.63Å; F11-A66 HydrophobicContact CB-CB 3.99Å; F11-A66 HydrophobicContact CD2-CB 3.65Å; F11-A66 HydrophobicContact CE2-CB 4.49Å; F11-A66 HydrophobicContact CG-CB 4.12Å; F11-F67 HydrophobicContact CD2-CD1 4.15Å; F11-F67 HydrophobicContact CD2-CD2 4.43Å; F11-F67 AromaticContact CD2-CE1 3.39Å; F11-F67 HydrophobicContact CD2-CE1 3.39Å; F11-F67 AromaticContact CD2-CE2 3.73Å; F11-F67 HydrophobicContact CD2-CE2 3.73Å; F11-F67 AromaticContact CD2-CZ 3.15Å; F11-F67 HydrophobicContact CD2-CZ 3.15Å; F11-F67 AromaticContact CE2-CD1 3.99Å; F11-F67 HydrophobicContact CE2-CD1 3.99Å; F11-F67 AromaticContact CE2-CE1 3.23Å; F11-F67 HydrophobicContact CE2-CE1 3.23Å; F11-F67 HydrophobicContact CE2-CE2 4.44Å; F11-F67 AromaticContact CE2-CZ 3.53Å; F11-F67 HydrophobicContact CE2-CZ 3.53Å; F11-F67 HydrophobicContact CG-CZ 4.11Å; F11-F67 HydrophobicContact CZ-CE1 4.39Å
12V70.8Confident71.9Confident59 Ų5963.5 Ų63.536%0.35833%0.333SS..EExtended strand (participates in β ladder)trans-92.5125.9175.3-177.30000108.5D10 P14 Y19 L20 V22D10-V12 WeakPolarHBondContact OD2-CG2 3.22Å; V12-P14 WeakPolarHBondContact O-CD 3.44Å; V12-Y19 CarbonylContact O-C 3.59Å; V12-L20 HydrophobicContact CB-CB 4.31Å; V12-L20 PolarHBondContact N-O 3.14Å; V12-L20 WeakPolarHBondContact O-CB 3.2Å; V12-L20 PolarHBondContact O-N 3.03Å; V12-V22 HydrophobicContact CG2-CG2 4.23Å
13E67.9Low71.9Confident100 Ų10059.6 Ų59.647%0.46731%0.313SS..  trans-85.699.6174.5-164.6-171.2-178.700110.1F15 G17 R18 Y19E13-F15 PolarHBondContact O-N 2.77Å; E13-G17 VanDerWaalsContact OE1-CA 3.27Å; E13-G17 WeakPolarHBondContact OE1-CA 3.42Å; E13-G17 PolarHBondContact OE1-N 2.73Å; E13-G17 VanDerWaalsContact OE1-N 3.14Å; E13-R18 VanDerWaalsContact CA-O 3.26Å; E13-R18 WeakPolarHBondContact CA-O 3.3Å; E13-R18 WeakPolarHBondContact CG-O 3.26Å; E13-Y19 HydrophobicContact CB-CD1 4.02Å; E13-Y19 HydrophobicContact CB-CE1 3.94Å; E13-Y19 HydrophobicContact CG-CD1 4.2Å; E13-Y19 HydrophobicContact CG-CE1 3.98Å; E13-Y19 HydrophobicContact CG-CE2 4.49Å
14P63.5Low72Confident71 Ų7156.4 Ų56.446%0.46129%0.292SS..  trans-90.252.2-173.735.6-22.4000110.9V12 R18 L20V12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-R18 WeakPolarHBondContact CD-O 3.33Å; P14-L20 HydrophobicContact CG-CB 4.1Å
15F60.4Low72.2Confident187 Ų18755.2 Ų55.282%0.8229%0.288SS*.SBendtrans80.6134.6179.1-123.2-100.7000116E13E13-F15 PolarHBondContact O-N 2.77Å
16G62.8Low71.8Confident66 Ų6657.4 Ų57.468%0.6830%0.303SS*.SBendtrans80.136.116600000116.6R18G16-R18 PolarHBondContact O-N 3.22Å
17G64.8Low71.4Confident54 Ų5454.8 Ų54.856%0.55730%0.299SS*.SBendtrans73.312.4179.800000114E13E13-G17 VanDerWaalsContact OE1-CA 3.27Å; E13-G17 WeakPolarHBondContact OE1-CA 3.42Å; E13-G17 PolarHBondContact OE1-N 2.73Å; E13-G17 VanDerWaalsContact OE1-N 3.14Å
18R64.2Low70.9Confident173 Ų17358.4 Ų58.465%0.65332%0.321SS*.  trans-94.4139.7177.2-61.7176.6-178-1800.6107.9E13 P14 G16E13-R18 VanDerWaalsContact CA-O 3.26Å; E13-R18 WeakPolarHBondContact CA-O 3.3Å; E13-R18 WeakPolarHBondContact CG-O 3.26Å; P14-R18 WeakPolarHBondContact CD-O 3.33Å; G16-R18 PolarHBondContact O-N 3.22Å
19Y66.6Low70Confident119 Ų11955.3 Ų55.347%0.46731%0.308SS..  trans-120.5135175.5-65.7-94000109.4F11 V12 E13F11-Y19 HydrophobicContact CB-CD1 4.42Å; V12-Y19 CarbonylContact O-C 3.59Å; E13-Y19 HydrophobicContact CB-CD1 4.02Å; E13-Y19 HydrophobicContact CB-CE1 3.94Å; E13-Y19 HydrophobicContact CG-CD1 4.2Å; E13-Y19 HydrophobicContact CG-CE1 3.98Å; E13-Y19 HydrophobicContact CG-CE2 4.49Å
20L66.8Low69Low27 Ų2761.1 Ų61.114%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-98.9119.6172.9-177.172.3000107.7F11 V12 P14 V22 C36 Q37F11-L20 CarbonylContact C-O 3.56Å; F11-L20 WeakPolarHBondContact CA-O 3.26Å; V12-L20 HydrophobicContact CB-CB 4.31Å; V12-L20 PolarHBondContact N-O 3.14Å; V12-L20 WeakPolarHBondContact O-CB 3.2Å; V12-L20 PolarHBondContact O-N 3.03Å; P14-L20 HydrophobicContact CG-CB 4.1Å; L20-V22 HydrophobicContact CD2-CG2 3.91Å; L20-V22 HydrophobicContact CG-CG2 3.99Å; L20-C36 WeakPolarHBondContact CD1-O 3.39Å; L20-Q37 HydrophobicContact CD1-CB 4.12Å; L20-Q37 HydrophobicContact CD1-CG 3.45Å; L20-Q37 VanDerWaalsContact CD1-CG 3.45Å
21F73.2Confident67.7Low1 Ų167 Ų670%0.00438%0.376CS..EExtended strand (participates in β ladder)trans-87.7118.3172.7179.8-108.6000109.1I9 F11 A23 C36 C45 L46 V49I9-F21 HydrophobicContact CB-CE2 3.73Å; I9-F21 HydrophobicContact CB-CZ 3.94Å; I9-F21 HydrophobicContact CD1-CE2 4.24Å; I9-F21 HydrophobicContact CG1-CE2 4.5Å; I9-F21 HydrophobicContact CG2-CE2 3.92Å; I9-F21 HydrophobicContact CG2-CZ 3.57Å; F11-F21 HydrophobicContact CD1-CB 4.16Å; F11-F21 HydrophobicContact CD1-CD2 4.02Å; F11-F21 HydrophobicContact CE1-CB 3.82Å; F11-F21 AromaticContact CE1-CD2 3.5Å; F11-F21 HydrophobicContact CE1-CD2 3.5Å; F11-F21 HydrophobicContact CE1-CE2 4.49Å; F11-F21 HydrophobicContact CE1-CG 4.06Å; F11-F21 HydrophobicContact CE2-CD2 4.09Å; F11-F21 HydrophobicContact CE2-CE2 4.41Å; F11-F21 AromaticContact CZ-CD2 3.52Å; F11-F21 HydrophobicContact CZ-CD2 3.52Å; F11-F21 HydrophobicContact CZ-CE2 4.1Å; F11-F21 HydrophobicContact CZ-CG 4.41Å; F21-A23 HydrophobicContact CE1-CB 3.82Å; F21-A23 HydrophobicContact CZ-CB 4.17Å; F21-C36 PolarHBondContact N-O 2.89Å; F21-C36 PolarHBondContact O-N 3.27Å; F21-C45 HydrophobicContact CB-CB 4.32Å; F21-C45 HydrophobicContact CG-CB 4.38Å; F21-L46 HydrophobicContact CE1-CD2 4.32Å; F21-L46 HydrophobicContact CE2-CD2 3.55Å; F21-L46 HydrophobicContact CE2-CG 4.39Å; F21-L46 HydrophobicContact CZ-CD2 3.39Å; F21-L46 HydrophobicContact CZ-CG 4.37Å; F21-V49 HydrophobicContact CD1-CB 4.47Å; F21-V49 HydrophobicContact CD1-CG2 3.75Å; F21-V49 HydrophobicContact CE1-CB 3.96Å; F21-V49 HydrophobicContact CE1-CG1 4.05Å; F21-V49 HydrophobicContact CE1-CG2 3.74Å
22V74.2Confident66.7Low4 Ų473.6 Ų73.62%0.02441%0.405CS..EExtended strand (participates in β ladder)trans-108.9125.9178.1-172.90000107.5I9 D10 V12 L20 V24 Q33I9-V22 CarbonylContact C-O 3.54Å; I9-V22 VanDerWaalsContact CA-O 3.24Å; I9-V22 WeakPolarHBondContact CA-O 3.35Å; D10-V22 HydrophobicContact CB-CB 4.38Å; D10-V22 PolarHBondContact N-O 3Å; D10-V22 PolarHBondContact O-N 2.96Å; V12-V22 HydrophobicContact CG2-CG2 4.23Å; L20-V22 HydrophobicContact CD2-CG2 3.91Å; L20-V22 HydrophobicContact CG-CG2 3.99Å; V22-V24 HydrophobicContact CG1-CG2 3.84Å; V22-Q33 HydrophobicContact CG1-CG 3.88Å
23A75.1Confident65.8Low9 Ų977.7 Ų77.77%0.07442%0.42CS..EExtended strand (participates in β ladder)trans-124.1117.9174.400000108.9W4 V7 H8 I9 F21 V49W4-A23 HydrophobicContact CH2-CB 4.48Å; V7-A23 HydrophobicContact CG1-CB 3.92Å; H8-A23 CarbonylContact O-C 3.57Å; H8-A23 WeakPolarHBondContact O-CA 3.39Å; I9-A23 HydrophobicContact CG2-CB 4.13Å; F21-A23 HydrophobicContact CE1-CB 3.82Å; F21-A23 HydrophobicContact CZ-CB 4.17Å; A23-V49 HydrophobicContact CB-CG1 4.12Å
24V75.4Confident65.1Low28 Ų2880.7 Ų80.717%0.1743%0.427CS..EExtended strand (participates in β ladder)trans-118.7121.7-175.7-172.10000109.3V7 H8 V22 S26 S29 Q33V7-V24 CarbonylContact C-O 3.59Å; V7-V24 WeakPolarHBondContact CA-O 3.45Å; H8-V24 PolarHBondContact N-O 3.2Å; H8-V24 PolarHBondContact O-N 3.3Å; V22-V24 HydrophobicContact CG1-CG2 3.84Å; V24-S26 PolarHBondContact O-N 2.9Å; V24-S29 WeakPolarHBondContact CG1-OG 3.5Å; V24-Q33 HydrophobicContact CG2-CG 4.34Å
25D79.9Confident64.6Low6 Ų681.1 Ų81.13%0.03243%0.432CS..EExtended strand (participates in β ladder)trans-73.1108.9172.517912.5000110.6W4 V27 T28 S29W4-D25 HydrophobicContact CE3-CB 3.76Å; W4-D25 HydrophobicContact CZ3-CB 4.09Å; W4-D25 VanDerWaalsContact N-CG 3.25Å; W4-D25 PolarHBondContact N-OD1 3.27Å; W4-D25 PolarHBondContact N-OD2 3.11Å; D25-V27 PolarHBondContact O-N 2.92Å; D25-V27 WeakPolarHBondContact OD1-CB 3.32Å; D25-V27 PolarHBondContact OD1-N 3.01Å; D25-T28 WeakPolarHBondContact CB-OG1 3.15Å; D25-T28 VanDerWaalsContact CG-OG1 3.28Å; D25-T28 PolarHBondContact O-N 3.43Å; D25-T28 WeakPolarHBondContact OD2-CB 3.24Å; D25-T28 WeakPolarHBondContact OD2-CG2 3.34Å; D25-T28 PolarHBondContact OD2-N 2.71Å; D25-T28 PolarHBondContact OD2-OG1 3.32Å; D25-S29 WeakPolarHBondContact O-CA 3.32Å; D25-S29 WeakPolarHBondContact O-CB 3.46Å; D25-S29 PolarHBondContact O-N 2.83Å
26S73.6Confident64.2Low56 Ų5674.8 Ų74.839%0.39241%0.41SS..THydrogen-bonded Turntrans-62.8-16.8179.964.70000113.6R6 V24R6-S26 WeakPolarHBondContact CB-OG 2.9Å; R6-S26 VanDerWaalsContact CD-OG 3.3Å; R6-S26 WeakPolarHBondContact CD-OG 3.33Å; R6-S26 WeakPolarHBondContact CG-OG 3.26Å; R6-S26 WeakPolarHBondContact O-CB 3.18Å; R6-S26 PolarHBondContact O-N 3.31Å; R6-S26 PolarHBondContact O-OG 3.07Å; V24-S26 PolarHBondContact O-N 2.9Å
27V72.7Confident63.6Low52 Ų5277.8 Ų77.832%0.31541%0.407SS..THydrogen-bonded Turntrans-86.8-44.8-178.3-175.30000111.5M1 R6 D25M1-V27 HydrophobicContact CB-CG1 4.09Å; M1-V27 HydrophobicContact CB-CG2 3.74Å; M1-V27 HydrophobicContact CG-CG2 4.43Å; M1-V27 HydrophobicContact SD-CG2 3.94Å; R6-V27 HydrophobicContact CB-CG2 4.49Å; D25-V27 PolarHBondContact O-N 2.92Å; D25-V27 WeakPolarHBondContact OD1-CB 3.32Å; D25-V27 PolarHBondContact OD1-N 3.01Å
28T68.4Low63.1Low76 Ų7676 Ų7647%0.46638%0.384SS..THydrogen-bonded Turntrans-101-3.5-174.662.50000114.4P3 D25P3-T28 HydrophobicContact CB-CG2 3.7Å; P3-T28 HydrophobicContact CG-CG2 4.1Å; D25-T28 WeakPolarHBondContact CB-OG1 3.15Å; D25-T28 VanDerWaalsContact CG-OG1 3.28Å; D25-T28 PolarHBondContact O-N 3.43Å; D25-T28 WeakPolarHBondContact OD2-CB 3.24Å; D25-T28 WeakPolarHBondContact OD2-CG2 3.34Å; D25-T28 PolarHBondContact OD2-N 2.71Å; D25-T28 PolarHBondContact OD2-OG1 3.32Å
29S62.2Low62.6Low10 Ų1076 Ų767%0.0739%0.386CS..  trans-140.977.8-167.4176.30000113.1V24 D25 L31 K32V24-S29 WeakPolarHBondContact CG1-OG 3.5Å; D25-S29 WeakPolarHBondContact O-CA 3.32Å; D25-S29 WeakPolarHBondContact O-CB 3.46Å; D25-S29 PolarHBondContact O-N 2.83Å; S29-L31 PolarHBondContact O-N 2.91Å; S29-K32 WeakPolarHBondContact OG-CA 3.36Å; S29-K32 WeakPolarHBondContact OG-CB 3.21Å; S29-K32 PolarHBondContact OG-N 2.99Å; S29-K32 PolarHBondContact OG-O 2.84Å
30P56.1Low61.9Low122 Ų12274.7 Ų74.779%0.79239%0.386SS*.SBendtrans-64.7-20.8155.7-13.628.3000111.2
31L51.4Low61.6Low166 Ų16683.7 Ų83.787%0.86942%0.418SS*.SBendtrans-1436-166.9-67.9171.4000116.1S29S29-L31 PolarHBondContact O-N 2.91Å
32K50Low61.1Low159 Ų15988.3 Ų88.369%0.69144%0.435SS*.  trans-108.674.5177.6-68.6-178.6179.8174.50110.3S29 R34S29-K32 WeakPolarHBondContact OG-CA 3.36Å; S29-K32 WeakPolarHBondContact OG-CB 3.21Å; S29-K32 PolarHBondContact OG-N 2.99Å; S29-K32 PolarHBondContact OG-O 2.84Å; K32-R34 PolarHBondContact O-N 2.9Å
33Q52.8Low60.7Low146 Ų14691.2 Ų91.268%0.68245%0.449SS*.  trans-66.2119.2170.6-165.7174.525.400108.4V22 V24V22-Q33 HydrophobicContact CG1-CG 3.88Å; V24-Q33 HydrophobicContact CG2-CG 4.34Å
34R53.4Low60.3Low163 Ų16397.4 Ų97.462%0.61547%0.47SS*.  trans-110.7109.7168.6-73.1-150.6-177.8-155.3-0.2108.7K32K32-R34 PolarHBondContact O-N 2.9Å
35S52.1Low59.8Low79 Ų7996.2 Ų96.255%0.55246%0.463SS*.EExtended strand (participates in β ladder)trans-81.4125.4169.252.20000109.6
36C51.7Low59.2Low55 Ų5595.9 Ų95.937%0.37246%0.461SS..EExtended strand (participates in β ladder)trans-104.8113.2166.1-156.20000108.3L20 F21 I38 V49L20-C36 WeakPolarHBondContact CD1-O 3.39Å; F21-C36 PolarHBondContact N-O 2.89Å; F21-C36 PolarHBondContact O-N 3.27Å; C36-I38 HydrophobicContact CB-CD1 3.98Å; C36-I38 HydrophobicContact CB-CG1 3.94Å; C36-I38 PolarHBondContact O-N 3.11Å; C36-I38 VanDerWaalsContact O-N 3.08Å; C36-I38 VanDerWaalsContact SG-CD1 3.55Å; C36-I38 WeakPolarHBondContact SG-CG1 3.3Å; C36-V49 HydrophobicContact CB-CG2 4.37Å
37Q51Low59.1Low129 Ų129101.8 Ų101.860%0.60348%0.475SS*.  trans-70.6100.2167.8-76.7178.9-14.100107.6L20 Y39L20-Q37 HydrophobicContact CD1-CB 4.12Å; L20-Q37 HydrophobicContact CD1-CG 3.45Å; L20-Q37 VanDerWaalsContact CD1-CG 3.45Å; Q37-Y39 HydrophobicContact CB-CE2 4.08Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.15Å; Q37-Y39 PolarHBondContact OE1-OH 3.36Å
38I53.5Low59Low15 Ų15102.9 Ų102.98%0.07748%0.476CS..  trans-120.2119.8175.5-49.6176.7000108.8C36 L40 C45 V49C36-I38 HydrophobicContact CB-CD1 3.98Å; C36-I38 HydrophobicContact CB-CG1 3.94Å; C36-I38 PolarHBondContact O-N 3.11Å; C36-I38 VanDerWaalsContact O-N 3.08Å; C36-I38 VanDerWaalsContact SG-CD1 3.55Å; C36-I38 WeakPolarHBondContact SG-CG1 3.3Å; I38-L40 VanDerWaalsContact C-N 3.31Å; I38-L40 PolarHBondContact O-N 3.24Å; I38-C45 HydrophobicContact CB-CB 3.99Å; I38-C45 WeakPolarHBondContact CB-SG 3.45Å; I38-C45 HydrophobicContact CD1-CB 3.73Å; I38-C45 HydrophobicContact CG1-CB 4.43Å; I38-C45 HydrophobicContact CG2-CB 3.94Å; I38-C45 WeakPolarHBondContact CG2-SG 3.4Å; I38-V49 HydrophobicContact CD1-CG2 3.67Å
39Y53.5Low59.1Low175 Ų175100.1 Ų100.169%0.68646%0.459SS*.  trans-87.917.2-164.4-56.1-89000113.8Q37Q37-Y39 HydrophobicContact CB-CE2 4.08Å; Q37-Y39 WeakPolarHBondContact O-CE2 3.15Å; Q37-Y39 PolarHBondContact OE1-OH 3.36Å
40L52.5Low59.5Low91 Ų91100 Ų10048%0.47646%0.458SS..SBendtrans-141.3164-163.6-66.8171000112.6I38 R42 C45I38-L40 VanDerWaalsContact C-N 3.31Å; I38-L40 PolarHBondContact O-N 3.24Å; L40-R42 PolarHBondContact O-N 2.83Å; L40-C45 PolarHBondContact O-SG 3.27Å
41R60.2Low60.3Low216 Ų21698.3 Ų98.382%0.81545%0.454SS*.  trans-36.6124.5-179-84.9-178.7171.6-155.3-1111.8Q43 R44R41-Q43 PolarHBondContact O-N 3.38Å; R41-R44 WeakPolarHBondContact O-CB 3.37Å; R41-R44 PolarHBondContact O-N 3.37Å
42R63.5Low61.3Low97 Ų9795.9 Ų95.937%0.36645%0.446SS..Hα-helixtrans-30.2-42.5-177.8-70.5177-88.1162.7-1.7116F11 L40 C45 L46 A66 S69F11-R42 HydrophobicContact CE1-CB 4.3Å; F11-R42 HydrophobicContact CE1-CG 3.87Å; F11-R42 HydrophobicContact CE2-CB 4.3Å; F11-R42 HydrophobicContact CE2-CG 4.05Å; F11-R42 HydrophobicContact CZ-CB 3.73Å; F11-R42 HydrophobicContact CZ-CG 3.63Å; L40-R42 PolarHBondContact O-N 2.83Å; R42-C45 WeakPolarHBondContact O-CB 3.41Å; R42-L46 PolarHBondContact O-N 3.22Å; R42-A66 PolarHBondContact NH1-O 2.8Å; R42-S69 PolarHBondContact NH1-OG 3.41Å
43Q65.1Low62.1Low65 Ų6593.6 Ų93.630%0.30443%0.433SS..Hα-helixtrans-66.7-37.6179.4-66.5174.7-38.400114.4R41 C45 L46 R47 P71 F75R41-Q43 PolarHBondContact O-N 3.38Å; Q43-C45 VanDerWaalsContact C-N 3.34Å; Q43-L46 PolarHBondContact O-N 2.73Å; Q43-R47 WeakPolarHBondContact O-CG 3.48Å; Q43-R47 PolarHBondContact O-N 2.97Å; Q43-P71 PolarHBondContact NE2-O 3.01Å; Q43-F75 HydrophobicContact CG-CB 4.41Å
44R67.1Low63Low140 Ų14089.8 Ų89.853%0.52843%0.427SS..Hα-helixtrans-66.8-39.3179.2-175.2174.2172.9167.10.9110.9R41 L46 R47 E48R41-R44 WeakPolarHBondContact O-CB 3.37Å; R41-R44 PolarHBondContact O-N 3.37Å; R44-L46 PolarHBondContact O-N 3.06Å; R44-R47 PolarHBondContact O-N 2.73Å; R44-E48 HydrophobicContact CG-CG 4.46Å; R44-E48 WeakPolarHBondContact CG-OE1 3.44Å; R44-E48 IonicContact CZ-OE1 3.61Å; R44-E48 IonicContact NE-OE1 2.81Å; R44-E48 PolarHBondContact NE-OE1 2.79Å; R44-E48 IonicContact NH2-OE1 3.52Å; R44-E48 WeakPolarHBondContact O-CG 3.21Å; R44-E48 PolarHBondContact O-N 2.89Å
45C65.6Low63.9Low2 Ų287 Ų871%0.01442%0.424CS..Hα-helixtrans-57.4-47.9175.8-520000111.8F21 I38 L40 R42 Q43 R47 E48 V49F21-C45 HydrophobicContact CB-CB 4.32Å; F21-C45 HydrophobicContact CG-CB 4.38Å; I38-C45 HydrophobicContact CB-CB 3.99Å; I38-C45 WeakPolarHBondContact CB-SG 3.45Å; I38-C45 HydrophobicContact CD1-CB 3.73Å; I38-C45 HydrophobicContact CG1-CB 4.43Å; I38-C45 HydrophobicContact CG2-CB 3.94Å; I38-C45 WeakPolarHBondContact CG2-SG 3.4Å; L40-C45 PolarHBondContact O-SG 3.27Å; R42-C45 WeakPolarHBondContact O-CB 3.41Å; Q43-C45 VanDerWaalsContact C-N 3.34Å; C45-R47 VanDerWaalsContact C-N 3.33Å; C45-R47 PolarHBondContact O-N 3.1Å; C45-E48 PolarHBondContact O-N 2.98Å; C45-V49 WeakPolarHBondContact O-CG2 3.48Å; C45-V49 PolarHBondContact O-N 2.8Å
46L68Low65Low0 Ų083.5 Ų83.50%040%0.399CS..Hα-helixtrans-59.5-46.6178.4-67.6160000110.7I9 F21 R42 Q43 R44 E48 V49 F50 F72 F75I9-L46 HydrophobicContact CD1-CD2 4.11Å; F21-L46 HydrophobicContact CE1-CD2 4.32Å; F21-L46 HydrophobicContact CE2-CD2 3.55Å; F21-L46 HydrophobicContact CE2-CG 4.39Å; F21-L46 HydrophobicContact CZ-CD2 3.39Å; F21-L46 HydrophobicContact CZ-CG 4.37Å; R42-L46 PolarHBondContact O-N 3.22Å; Q43-L46 PolarHBondContact O-N 2.73Å; R44-L46 PolarHBondContact O-N 3.06Å; L46-E48 PolarHBondContact O-N 3.21Å; L46-V49 PolarHBondContact O-N 2.94Å; L46-F50 HydrophobicContact CB-CD2 4.15Å; L46-F50 HydrophobicContact CB-CE2 3.96Å; L46-F50 HydrophobicContact CD2-CE2 3.63Å; L46-F50 HydrophobicContact CD2-CZ 4.13Å; L46-F50 HydrophobicContact CG-CE2 4.42Å; L46-F50 WeakPolarHBondContact O-CB 3.35Å; L46-F50 WeakPolarHBondContact O-CD2 3.49Å; L46-F50 WeakPolarHBondContact O-CG 2.96Å; L46-F50 PolarHBondContact O-N 3.31Å; L46-F72 HydrophobicContact CD1-CD2 3.71Å; L46-F72 HydrophobicContact CD1-CE2 3.45Å; L46-F72 VanDerWaalsContact CD1-CE2 3.45Å; L46-F72 HydrophobicContact CD2-CE2 4.2Å; L46-F72 HydrophobicContact CG-CE2 4.48Å; L46-F75 HydrophobicContact CB-CD1 4.41Å; L46-F75 HydrophobicContact CB-CE1 3.71Å; L46-F75 HydrophobicContact CB-CZ 3.81Å; L46-F75 HydrophobicContact CD1-CD1 3.87Å; L46-F75 HydrophobicContact CD1-CE1 3.98Å; L46-F75 HydrophobicContact CD1-CG 4.49Å; L46-F75 HydrophobicContact CG-CE1 4.38Å
47R71.4Confident66.3Low180 Ų18087.4 Ų87.468%0.67941%0.41SS*.Hα-helixtrans-59.9-45.3177.6-69.3-175.970.5-174.31.2112.3Q43 R44 C45 A51 F75Q43-R47 WeakPolarHBondContact O-CG 3.48Å; Q43-R47 PolarHBondContact O-N 2.97Å; R44-R47 PolarHBondContact O-N 2.73Å; C45-R47 VanDerWaalsContact C-N 3.33Å; C45-R47 PolarHBondContact O-N 3.1Å; R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 2.63Å; R47-F75 HydrophobicContact CG-CE2 3.48Å; R47-F75 VanDerWaalsContact CG-CE2 3.48Å; R47-F75 HydrophobicContact CG-CZ 3.92Å
48E70.7Confident67.6Low74 Ų7483.9 Ų83.935%0.34639%0.394SS..Hα-helixtrans-66.8-43-178.9-72.8172.5-177.300112R44 C45 L46 T52R44-E48 HydrophobicContact CG-CG 4.46Å; R44-E48 WeakPolarHBondContact CG-OE1 3.44Å; R44-E48 IonicContact CZ-OE1 3.61Å; R44-E48 IonicContact NE-OE1 2.81Å; R44-E48 PolarHBondContact NE-OE1 2.79Å; R44-E48 IonicContact NH2-OE1 3.52Å; R44-E48 WeakPolarHBondContact O-CG 3.21Å; R44-E48 PolarHBondContact O-N 2.89Å; C45-E48 PolarHBondContact O-N 2.98Å; L46-E48 PolarHBondContact O-N 3.21Å; E48-T52 PolarHBondContact O-N 3.4Å; E48-T52 PolarHBondContact O-OG1 3.45Å
49V69.6Low68.7Low18 Ų1883.2 Ų83.211%0.10939%0.391CS..Hα-helixtrans-65.8-45.5177.7172.50000111.4W4 F21 A23 C36 I38 C45 L46 T52W4-V49 HydrophobicContact CZ2-CG1 4.27Å; F21-V49 HydrophobicContact CD1-CB 4.47Å; F21-V49 HydrophobicContact CD1-CG2 3.75Å; F21-V49 HydrophobicContact CE1-CB 3.96Å; F21-V49 HydrophobicContact CE1-CG1 4.05Å; F21-V49 HydrophobicContact CE1-CG2 3.74Å; A23-V49 HydrophobicContact CB-CG1 4.12Å; C36-V49 HydrophobicContact CB-CG2 4.37Å; I38-V49 HydrophobicContact CD1-CG2 3.67Å; C45-V49 WeakPolarHBondContact O-CG2 3.48Å; C45-V49 PolarHBondContact O-N 2.8Å; L46-V49 PolarHBondContact O-N 2.94Å; V49-T52 PolarHBondContact O-N 3.22Å
50F71.2Confident69.8Low7 Ų776.1 Ų76.13%0.03137%0.366CS..Hα-helixtrans-75.6-28.9-178.8-62.3-47000113.5L46 T52 R53 A54 L55 P56 L59 L81L46-F50 HydrophobicContact CB-CD2 4.15Å; L46-F50 HydrophobicContact CB-CE2 3.96Å; L46-F50 HydrophobicContact CD2-CE2 3.63Å; L46-F50 HydrophobicContact CD2-CZ 4.13Å; L46-F50 HydrophobicContact CG-CE2 4.42Å; L46-F50 WeakPolarHBondContact O-CB 3.35Å; L46-F50 WeakPolarHBondContact O-CD2 3.49Å; L46-F50 WeakPolarHBondContact O-CG 2.96Å; L46-F50 PolarHBondContact O-N 3.31Å; F50-T52 PolarHBondContact O-N 3.08Å; F50-R53 PolarHBondContact O-N 2.93Å; F50-A54 CarbonylContact O-C 3.54Å; F50-A54 PolarHBondContact O-N 3.38Å; F50-L55 HydrophobicContact CB-CD2 3.83Å; F50-L55 HydrophobicContact CD2-CD2 4.49Å; F50-L55 HydrophobicContact CG-CD2 4.25Å; F50-P56 HydrophobicContact CD1-CG 4.04Å; F50-P56 VanDerWaalsContact CE1-CD 3.44Å; F50-P56 HydrophobicContact CE1-CG 3.54Å; F50-P56 HydrophobicContact CZ-CG 4.07Å; F50-L59 HydrophobicContact CE1-CD1 4.24Å; F50-L59 HydrophobicContact CE2-CD2 4.14Å; F50-L59 HydrophobicContact CZ-CD1 3.59Å; F50-L59 HydrophobicContact CZ-CD2 3.99Å; F50-L59 HydrophobicContact CZ-CG 4.49Å; F50-L81 HydrophobicContact CE2-CD1 4.43Å
51A72.8Confident70.7Confident87 Ų8772.2 Ų72.272%0.71935%0.346SS*.Hα-helixtrans-61.3-27.4172.500000112.4R47R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 2.63Å
52T72.2Confident71.3Confident115 Ų11564.3 Ų64.371%0.70632%0.32SS*.Hα-helixtrans-86.2-26-176.1-50.20000113.6E48 V49 F50E48-T52 PolarHBondContact O-N 3.4Å; E48-T52 PolarHBondContact O-OG1 3.45Å; V49-T52 PolarHBondContact O-N 3.22Å; F50-T52 PolarHBondContact O-N 3.08Å
53R67Low71.2Confident111 Ų11164.7 Ų64.742%0.41933%0.329SS..Hα-helixtrans-132.310-165.2-68.2-171.7174.5-164.6-3.7116.1W4 F50W4-R53 HydrophobicContact CD2-CB 4.2Å; W4-R53 HydrophobicContact CH2-CB 4.45Å; W4-R53 HydrophobicContact CZ2-CB 3.88Å; F50-R53 PolarHBondContact O-N 2.93Å
54A69.9Low70.9Confident67 Ų6762.2 Ų62.255%0.55432%0.321SS*.  trans75.5157.2-167.700000114W4 F50W4-A54 VanDerWaalsContact CD1-O 3.27Å; W4-A54 PolarHBondContact NE1-O 3.09Å; F50-A54 CarbonylContact O-C 3.54Å; F50-A54 PolarHBondContact O-N 3.38Å
55L72.9Confident70.7Confident104 Ų10461.2 Ų61.255%0.54533%0.333SS..  trans-74.1126.6177.3-71163.9000109.2F50 L81F50-L55 HydrophobicContact CB-CD2 3.83Å; F50-L55 HydrophobicContact CD2-CD2 4.49Å; F50-L55 HydrophobicContact CG-CD2 4.25Å; L55-L81 HydrophobicContact CB-CD2 4.14Å; L55-L81 HydrophobicContact CD2-CD1 4.32Å; L55-L81 HydrophobicContact CD2-CD2 3.96Å; L55-L81 HydrophobicContact CD2-CG 4.41Å
56P76.6Confident70.4Confident5 Ų562 Ų623%0.03234%0.339CS..  trans-68.8147.1175.430-34.7000110.2W4 V7 F50 I58 L59 L81W4-P56 WeakPolarHBondContact O-CA 3.27Å; W4-P56 WeakPolarHBondContact O-CB 3.03Å; V7-P56 HydrophobicContact CB-CB 4.07Å; V7-P56 HydrophobicContact CB-CG 4.31Å; V7-P56 HydrophobicContact CG2-CB 3.71Å; V7-P56 HydrophobicContact CG2-CG 4.28Å; F50-P56 HydrophobicContact CD1-CG 4.04Å; F50-P56 VanDerWaalsContact CE1-CD 3.44Å; F50-P56 HydrophobicContact CE1-CG 3.54Å; F50-P56 HydrophobicContact CZ-CG 4.07Å; P56-I58 VanDerWaalsContact C-N 3.3Å; P56-L59 HydrophobicContact CG-CD1 4.06Å; P56-L81 HydrophobicContact CG-CD2 4.42Å; P56-L81 WeakPolarHBondContact O-CD2 3.41Å
57K78.3Confident70Confident137 Ų13762.4 Ų62.460%0.59634%0.341SS*.SBendtrans-68-35.7173.8-66.6176.2178.9168.20111.1D2 S5D2-K57 IonicContact OD2-NZ 2.83Å; D2-K57 PolarHBondContact OD2-NZ 3.13Å; S5-K57 WeakPolarHBondContact O-CB 3.28Å; S5-K57 PolarHBondContact O-N 2.86Å; S5-K57 VanDerWaalsContact O-N 3.13Å
58I77.1Confident69.3Low55 Ų5558.5 Ų58.528%0.28234%0.337SS..EExtended strand (participates in β ladder)trans-129.8120.4-178.1-56.4174.2000108.7M1 S5 R6 V7 P56 V60M1-I58 HydrophobicContact CE-CD1 4.24Å; S5-I58 PolarHBondContact O-N 2.93Å; R6-I58 WeakPolarHBondContact CA-O 3.31Å; R6-I58 HydrophobicContact CB-CB 4.31Å; R6-I58 HydrophobicContact CG-CB 4.19Å; R6-I58 HydrophobicContact CG-CG2 4.2Å; V7-I58 PolarHBondContact N-O 3.01Å; P56-I58 VanDerWaalsContact C-N 3.3Å; I58-V60 HydrophobicContact CG2-CG2 3.86Å
59L77.8Confident68.8Low1 Ų156.4 Ų56.41%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-100.9125.2170-161.658000109.2V7 I9 F50 P56 P61 F72 L81 S82 I83 S84V7-L59 HydrophobicContact CB-CD1 4.29Å; V7-L59 HydrophobicContact CG1-CD1 4.45Å; I9-L59 HydrophobicContact CB-CD1 4.48Å; I9-L59 HydrophobicContact CD1-CD1 3.9Å; I9-L59 HydrophobicContact CD1-CD2 3.69Å; I9-L59 HydrophobicContact CD1-CG 3.69Å; I9-L59 HydrophobicContact CG1-CD1 4.2Å; I9-L59 HydrophobicContact CG1-CG 4.26Å; I9-L59 HydrophobicContact CG2-CD1 3.54Å; I9-L59 HydrophobicContact CG2-CG 4.47Å; F50-L59 HydrophobicContact CE1-CD1 4.24Å; F50-L59 HydrophobicContact CE2-CD2 4.14Å; F50-L59 HydrophobicContact CZ-CD1 3.59Å; F50-L59 HydrophobicContact CZ-CD2 3.99Å; F50-L59 HydrophobicContact CZ-CG 4.49Å; P56-L59 HydrophobicContact CG-CD1 4.06Å; L59-P61 WeakPolarHBondContact O-CD 3.48Å; L59-F72 HydrophobicContact CD2-CZ 4.1Å; L59-L81 HydrophobicContact CD2-CD1 4.42Å; L59-S82 PolarHBondContact N-O 3.24Å; L59-I83 HydrophobicContact CB-CD1 3.96Å; L59-I83 HydrophobicContact CB-CG1 4.19Å; L59-I83 HydrophobicContact CD2-CD1 3.64Å; L59-I83 HydrophobicContact CG-CD1 4.12Å; L59-S84 PolarHBondContact O-N 3.11Å; L59-S84 VanDerWaalsContact O-N 3.11Å
60V76.1Confident68.3Low26 Ų2658.8 Ų58.816%0.15835%0.352CS..EExtended strand (participates in β ladder)trans-114.990.4178.6-173.70000107.9R6 V7 H8 I9 I58R6-V60 HydrophobicContact CG-CG2 4.13Å; V7-V60 PolarHBondContact O-N 3.26Å; H8-V60 WeakPolarHBondContact CA-O 3.37Å; H8-V60 PolarHBondContact ND1-O 3.48Å; I9-V60 PolarHBondContact N-O 3.33Å; I58-V60 HydrophobicContact CG2-CG2 3.86Å
61P72.7Confident67.7Low10 Ų1061.3 Ų61.37%0.06537%0.369CS..EExtended strand (participates in β ladder)trans-63.5144.7168.327.9-32.7000109.8I9 L59 F67 F72 I83I9-P61 HydrophobicContact CD1-CB 4.28Å; I9-P61 HydrophobicContact CG1-CB 4.07Å; L59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-F67 HydrophobicContact CB-CB 3.59Å; P61-F67 HydrophobicContact CB-CD1 3.66Å; P61-F67 HydrophobicContact CB-CD2 3.74Å; P61-F67 HydrophobicContact CB-CE1 4.24Å; P61-F67 HydrophobicContact CB-CE2 4.3Å; P61-F67 HydrophobicContact CB-CG 3.36Å; P61-F67 HydrophobicContact CG-CB 4.37Å; P61-F72 HydrophobicContact CG-CE1 4.42Å; P61-I83 HydrophobicContact CG-CG2 3.77Å
62D71.8Confident67.1Low49 Ų4957.5 Ų57.526%0.26234%0.337SS..  trans-64.7160.1159.5100.3-29.7000109.3I9 G64 F67I9-D62 PolarHBondContact O-N 3.2Å; D62-G64 PolarHBondContact O-N 3.43Å; D62-G64 WeakPolarHBondContact OD1-CA 3.15Å; D62-G64 PolarHBondContact OD1-N 3.46Å; D62-F67 VanDerWaalsContact O-CD2 3.31Å; D62-F67 WeakPolarHBondContact O-CD2 3.46Å; D62-F67 WeakPolarHBondContact OD1-CD2 3.34Å; D62-F67 VanDerWaalsContact OD1-CE2 3.28Å; D62-F67 WeakPolarHBondContact OD1-CE2 3.12Å
63N60.5Low66.6Low105 Ų10556.4 Ų56.456%0.56133%0.326SS*.SBendtrans-76.426.3-179.4-80-9.8000112.5R86N63-R86 PolarHBondContact ND2-O 3.24Å; N63-R86 VanDerWaalsContact ND2-O 3.15Å; N63-R86 PolarHBondContact OD1-O 3.45Å
64G60.6Low66.3Low13 Ų1355.3 Ų55.313%0.13433%0.331CS..  trans-66.5145.8175.800000111.7D62 A66 F67D62-G64 PolarHBondContact O-N 3.43Å; D62-G64 WeakPolarHBondContact OD1-CA 3.15Å; D62-G64 PolarHBondContact OD1-N 3.46Å; G64-A66 PolarHBondContact O-N 3.41Å; G64-F67 PolarHBondContact O-N 2.78Å
65P61.6Low66Low120 Ų12053.2 Ų53.278%0.77931%0.31SS*.Hα-helixtrans-57.9-19.517922.5-32.6000113.1F67 V68P65-F67 PolarHBondContact O-N 3.47Å; P65-V68 PolarHBondContact O-N 3.38Å
66A59.1Low65.5Low17 Ų1750 Ų5014%0.1429%0.292CS..Hα-helixtrans-64.5-24.1176.100000113.9F11 R42 G64F11-A66 HydrophobicContact CB-CB 3.99Å; F11-A66 HydrophobicContact CD2-CB 3.65Å; F11-A66 HydrophobicContact CE2-CB 4.49Å; F11-A66 HydrophobicContact CG-CB 4.12Å; R42-A66 PolarHBondContact NH1-O 2.8Å; G64-A66 PolarHBondContact O-N 3.41Å
67F59.4Low64.9Low9 Ų956.5 Ų56.54%0.03933%0.326CS..Hα-helixtrans-100.5-16.7-179.1-61.8-69.4000113.7I9 F11 P61 D62 G64 P65 S69 F72I9-F67 HydrophobicContact CB-CE1 4.36Å; I9-F67 HydrophobicContact CB-CZ 4.16Å; I9-F67 HydrophobicContact CD1-CD1 3.88Å; I9-F67 HydrophobicContact CD1-CE1 3.25Å; I9-F67 HydrophobicContact CD1-CZ 3.9Å; I9-F67 HydrophobicContact CG1-CD1 4.34Å; I9-F67 HydrophobicContact CG1-CE1 3.57Å; I9-F67 HydrophobicContact CG1-CZ 3.66Å; F11-F67 HydrophobicContact CD2-CD1 4.15Å; F11-F67 HydrophobicContact CD2-CD2 4.43Å; F11-F67 AromaticContact CD2-CE1 3.39Å; F11-F67 HydrophobicContact CD2-CE1 3.39Å; F11-F67 AromaticContact CD2-CE2 3.73Å; F11-F67 HydrophobicContact CD2-CE2 3.73Å; F11-F67 AromaticContact CD2-CZ 3.15Å; F11-F67 HydrophobicContact CD2-CZ 3.15Å; F11-F67 AromaticContact CE2-CD1 3.99Å; F11-F67 HydrophobicContact CE2-CD1 3.99Å; F11-F67 AromaticContact CE2-CE1 3.23Å; F11-F67 HydrophobicContact CE2-CE1 3.23Å; F11-F67 HydrophobicContact CE2-CE2 4.44Å; F11-F67 AromaticContact CE2-CZ 3.53Å; F11-F67 HydrophobicContact CE2-CZ 3.53Å; F11-F67 HydrophobicContact CG-CZ 4.11Å; F11-F67 HydrophobicContact CZ-CE1 4.39Å; P61-F67 HydrophobicContact CB-CB 3.59Å; P61-F67 HydrophobicContact CB-CD1 3.66Å; P61-F67 HydrophobicContact CB-CD2 3.74Å; P61-F67 HydrophobicContact CB-CE1 4.24Å; P61-F67 HydrophobicContact CB-CE2 4.3Å; P61-F67 HydrophobicContact CB-CG 3.36Å; P61-F67 HydrophobicContact CG-CB 4.37Å; D62-F67 VanDerWaalsContact O-CD2 3.31Å; D62-F67 WeakPolarHBondContact O-CD2 3.46Å; D62-F67 WeakPolarHBondContact OD1-CD2 3.34Å; D62-F67 VanDerWaalsContact OD1-CE2 3.28Å; D62-F67 WeakPolarHBondContact OD1-CE2 3.12Å; G64-F67 PolarHBondContact O-N 2.78Å; P65-F67 PolarHBondContact O-N 3.47Å; F67-S69 VanDerWaalsContact C-N 3.32Å; F67-F72 HydrophobicContact CB-CD1 4.32Å; F67-F72 HydrophobicContact CB-CE1 4.34Å; F67-F72 HydrophobicContact CD1-CD1 4.32Å; F67-F72 HydrophobicContact CD1-CD2 4.02Å; F67-F72 AromaticContact CD1-CE1 3.96Å; F67-F72 HydrophobicContact CD1-CE1 3.96Å; F67-F72 AromaticContact CD1-CE2 3.65Å; F67-F72 HydrophobicContact CD1-CE2 3.65Å; F67-F72 HydrophobicContact CD1-CG 4.35Å; F67-F72 AromaticContact CD1-CZ 3.64Å; F67-F72 HydrophobicContact CD1-CZ 3.64Å; F67-F72 HydrophobicContact CE1-CE2 4.03Å; F67-F72 HydrophobicContact CE1-CZ 4.22Å; F67-F72 VanDerWaalsContact O-CD1 3.26Å; F67-F72 WeakPolarHBondContact O-CD1 3.16Å
68V57.8Low64.2Low99 Ų9955.6 Ų55.660%0.633%0.332SS*.Hα-helixtrans-83.9-8.4178.3-170.50000112.2P65P65-V68 PolarHBondContact O-N 3.38Å
69S60.8Low63.6Low29 Ų2954.4 Ų54.420%0.20333%0.331CS..SBendtrans-73.4140.9-178.670.90000113R42 F67 P71 F72R42-S69 PolarHBondContact NH1-OG 3.41Å; F67-S69 VanDerWaalsContact C-N 3.32Å; S69-P71 VanDerWaalsContact C-N 3.31Å; S69-P71 WeakPolarHBondContact O-CD 3.47Å; S69-P71 VanDerWaalsContact O-N 3.08Å; S69-F72 WeakPolarHBondContact O-CB 3.32Å; S69-F72 PolarHBondContact O-N 2.74Å
70A58.2Low63Low68 Ų6857.8 Ų57.856%0.56237%0.366SS*.Hα-helixtrans-46.1-37.7179.400000116.4F72 L73 V74A70-F72 PolarHBondContact O-N 3.28Å; A70-L73 PolarHBondContact O-N 3.37Å; A70-V74 WeakPolarHBondContact O-CG2 3.21Å; A70-V74 PolarHBondContact O-N 3.02Å; A70-V74 VanDerWaalsContact O-N 3.11Å
71P58.6Low62.5Low61 Ų6157.4 Ų57.440%0.39636%0.363SS..Hα-helixtrans-62.3-28.5176.6-23.334000113.9Q43 S69 F75Q43-P71 PolarHBondContact NE2-O 3.01Å; S69-P71 VanDerWaalsContact C-N 3.31Å; S69-P71 WeakPolarHBondContact O-CD 3.47Å; S69-P71 VanDerWaalsContact O-N 3.08Å; P71-F75 PolarHBondContact O-N 3.35Å
72F60.9Low62.2Low7 Ų761 Ų613%0.03139%0.388CS..Hα-helixtrans-72.4-47.9177.4-170.2-103.3000109.9I9 L46 L59 P61 F67 S69 A70 V74 F75 E76 I83I9-F72 HydrophobicContact CD1-CE2 4.01Å; I9-F72 HydrophobicContact CD1-CZ 3.7Å; L46-F72 HydrophobicContact CD1-CD2 3.71Å; L46-F72 HydrophobicContact CD1-CE2 3.45Å; L46-F72 VanDerWaalsContact CD1-CE2 3.45Å; L46-F72 HydrophobicContact CD2-CE2 4.2Å; L46-F72 HydrophobicContact CG-CE2 4.48Å; L59-F72 HydrophobicContact CD2-CZ 4.1Å; P61-F72 HydrophobicContact CG-CE1 4.42Å; F67-F72 HydrophobicContact CB-CD1 4.32Å; F67-F72 HydrophobicContact CB-CE1 4.34Å; F67-F72 HydrophobicContact CD1-CD1 4.32Å; F67-F72 HydrophobicContact CD1-CD2 4.02Å; F67-F72 AromaticContact CD1-CE1 3.96Å; F67-F72 HydrophobicContact CD1-CE1 3.96Å; F67-F72 AromaticContact CD1-CE2 3.65Å; F67-F72 HydrophobicContact CD1-CE2 3.65Å; F67-F72 HydrophobicContact CD1-CG 4.35Å; F67-F72 AromaticContact CD1-CZ 3.64Å; F67-F72 HydrophobicContact CD1-CZ 3.64Å; F67-F72 HydrophobicContact CE1-CE2 4.03Å; F67-F72 HydrophobicContact CE1-CZ 4.22Å; F67-F72 VanDerWaalsContact O-CD1 3.26Å; F67-F72 WeakPolarHBondContact O-CD1 3.16Å; S69-F72 WeakPolarHBondContact O-CB 3.32Å; S69-F72 PolarHBondContact O-N 2.74Å; A70-F72 PolarHBondContact O-N 3.28Å; F72-V74 VanDerWaalsContact C-N 3.3Å; F72-V74 PolarHBondContact O-N 3.42Å; F72-F75 WeakPolarHBondContact O-CA 3.38Å; F72-F75 VanDerWaalsContact O-CB 3.26Å; F72-F75 WeakPolarHBondContact O-CB 3.42Å; F72-F75 PolarHBondContact O-N 2.99Å; F72-E76 HydrophobicContact CD1-CG 4.41Å; F72-E76 WeakPolarHBondContact CD1-OE1 3.33Å; F72-E76 HydrophobicContact CE1-CG 4.4Å; F72-E76 WeakPolarHBondContact CE1-OE1 3.38Å; F72-E76 WeakPolarHBondContact O-CG 3.35Å; F72-E76 PolarHBondContact O-N 2.57Å; F72-E76 VanDerWaalsContact O-N 3.07Å; F72-I83 HydrophobicContact CD1-CD1 4.5Å; F72-I83 HydrophobicContact CE1-CD1 3.46Å; F72-I83 VanDerWaalsContact CE1-CD1 3.46Å; F72-I83 HydrophobicContact CZ-CD1 3.61Å
73L61.5Low61.8Low91 Ų9159.9 Ų59.948%0.47638%0.382SS..Hα-helixtrans-56.2-40.2175.6-61.3175.7000113.1A70 F75 E76 D77A70-L73 PolarHBondContact O-N 3.37Å; L73-F75 VanDerWaalsContact C-N 3.29Å; L73-F75 PolarHBondContact O-N 2.82Å; L73-E76 WeakPolarHBondContact O-CB 3.37Å; L73-E76 PolarHBondContact O-N 3.31Å; L73-D77 PolarHBondContact O-N 3.14Å
74V61.2Low61.8Low89 Ų8958 Ų5854%0.53938%0.377SS..Hα-helixtrans-66.1-33.3175.1174.90000111.8A70 F72 E76 V78A70-V74 WeakPolarHBondContact O-CG2 3.21Å; A70-V74 PolarHBondContact O-N 3.02Å; A70-V74 VanDerWaalsContact O-N 3.11Å; F72-V74 VanDerWaalsContact C-N 3.3Å; F72-V74 PolarHBondContact O-N 3.42Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-V78 HydrophobicContact CG1-CG2 4.5Å; V74-V78 WeakPolarHBondContact O-CG2 3.41Å; V74-V78 PolarHBondContact O-N 2.91Å
75F63.6Low61.4Low23 Ų2360.3 Ų60.310%0.10139%0.389CS..Hα-helixtrans-68-34174.7-179.3-99.1000111.8Q43 L46 R47 P71 F72 L73 A79 L81Q43-F75 HydrophobicContact CG-CB 4.41Å; L46-F75 HydrophobicContact CB-CD1 4.41Å; L46-F75 HydrophobicContact CB-CE1 3.71Å; L46-F75 HydrophobicContact CB-CZ 3.81Å; L46-F75 HydrophobicContact CD1-CD1 3.87Å; L46-F75 HydrophobicContact CD1-CE1 3.98Å; L46-F75 HydrophobicContact CD1-CG 4.49Å; L46-F75 HydrophobicContact CG-CE1 4.38Å; R47-F75 HydrophobicContact CG-CE2 3.48Å; R47-F75 VanDerWaalsContact CG-CE2 3.48Å; R47-F75 HydrophobicContact CG-CZ 3.92Å; P71-F75 PolarHBondContact O-N 3.35Å; F72-F75 WeakPolarHBondContact O-CA 3.38Å; F72-F75 VanDerWaalsContact O-CB 3.26Å; F72-F75 WeakPolarHBondContact O-CB 3.42Å; F72-F75 PolarHBondContact O-N 2.99Å; L73-F75 VanDerWaalsContact C-N 3.29Å; L73-F75 PolarHBondContact O-N 2.82Å; F75-A79 HydrophobicContact CE1-CB 4.18Å; F75-A79 HydrophobicContact CZ-CB 4.18Å; F75-A79 WeakPolarHBondContact O-CB 3.4Å; F75-A79 PolarHBondContact O-N 2.94Å; F75-L81 HydrophobicContact CE1-CD1 3.97Å
76E62.4Low60.6Low35 Ų3563.1 Ų63.116%0.16438%0.384CS..Hα-helixtrans-59.7-48.9176.1-54.9178.2-177.100111.2F72 L73 V74 A79 G80 L81 I83F72-E76 HydrophobicContact CD1-CG 4.41Å; F72-E76 WeakPolarHBondContact CD1-OE1 3.33Å; F72-E76 HydrophobicContact CE1-CG 4.4Å; F72-E76 WeakPolarHBondContact CE1-OE1 3.38Å; F72-E76 WeakPolarHBondContact O-CG 3.35Å; F72-E76 PolarHBondContact O-N 2.57Å; F72-E76 VanDerWaalsContact O-N 3.07Å; L73-E76 WeakPolarHBondContact O-CB 3.37Å; L73-E76 PolarHBondContact O-N 3.31Å; V74-E76 VanDerWaalsContact C-N 3.32Å; E76-A79 PolarHBondContact O-N 3.44Å; E76-G80 PolarHBondContact O-N 3.29Å; E76-G80 VanDerWaalsContact O-N 3.1Å; E76-L81 PolarHBondContact O-N 2.83Å; E76-I83 HydrophobicContact CB-CD1 4.46Å; E76-I83 HydrophobicContact CB-CG1 4.29Å; E76-I83 VanDerWaalsContact CD-CD1 3.46Å; E76-I83 HydrophobicContact CG-CD1 3.42Å; E76-I83 VanDerWaalsContact CG-CD1 3.42Å; E76-I83 HydrophobicContact CG-CG1 3.65Å; E76-I83 VanDerWaalsContact OE1-CD1 3.3Å; E76-I83 WeakPolarHBondContact OE1-CD1 3.07Å
77D63.8Low59.5Low142 Ų14268.9 Ų68.976%0.75941%0.411SS*.Hα-helixtrans-63.4-45-178.5-169.461.1000111.6L73 A79L73-D77 PolarHBondContact O-N 3.14Å; D77-A79 PolarHBondContact O-N 3.45Å
78V63.2Low58.2Low118 Ų11878.2 Ų78.272%0.71545%0.446SS*.Hα-helixtrans-71.4-30.7-179.6176.40000112.5V74V74-V78 HydrophobicContact CG1-CG2 4.5Å; V74-V78 WeakPolarHBondContact O-CG2 3.41Å; V74-V78 PolarHBondContact O-N 2.91Å
79A63.9Low56.7Low31 Ų3179.5 Ų79.526%0.25646%0.455SS..Hα-helixtrans-90.8-9.7-176.500000114.2F75 E76 D77 L81F75-A79 HydrophobicContact CE1-CB 4.18Å; F75-A79 HydrophobicContact CZ-CB 4.18Å; F75-A79 WeakPolarHBondContact O-CB 3.4Å; F75-A79 PolarHBondContact O-N 2.94Å; E76-A79 PolarHBondContact O-N 3.44Å; D77-A79 PolarHBondContact O-N 3.45Å; A79-L81 VanDerWaalsContact C-N 3.25Å; A79-L81 HydrophobicContact CB-CD1 3.68Å; A79-L81 HydrophobicContact CB-CG 3.84Å; A79-L81 PolarHBondContact O-N 2.85Å
80G65.4Low55.5Low72 Ų7289.3 Ų89.374%0.74250%0.502SS*.THydrogen-bonded Turntrans65.427.1-176.300000113.6E76E76-G80 PolarHBondContact O-N 3.29Å; E76-G80 VanDerWaalsContact O-N 3.1Å
81L65.7Low55.4Low17 Ų1790.4 Ų90.49%0.08950%0.499CS..  trans-89.8129.4-176.1-71.1168.3000110.5F50 L55 P56 L59 F75 E76 A79 I83F50-L81 HydrophobicContact CE2-CD1 4.43Å; L55-L81 HydrophobicContact CB-CD2 4.14Å; L55-L81 HydrophobicContact CD2-CD1 4.32Å; L55-L81 HydrophobicContact CD2-CD2 3.96Å; L55-L81 HydrophobicContact CD2-CG 4.41Å; P56-L81 HydrophobicContact CG-CD2 4.42Å; P56-L81 WeakPolarHBondContact O-CD2 3.41Å; L59-L81 HydrophobicContact CD2-CD1 4.42Å; F75-L81 HydrophobicContact CE1-CD1 3.97Å; E76-L81 PolarHBondContact O-N 2.83Å; A79-L81 VanDerWaalsContact C-N 3.25Å; A79-L81 HydrophobicContact CB-CD1 3.68Å; A79-L81 HydrophobicContact CB-CG 3.84Å; A79-L81 PolarHBondContact O-N 2.85Å; L81-I83 PolarHBondContact O-N 3.25Å
82S66.1Low55.2Low86 Ų8691.9 Ų91.960%0.60151%0.505SS*.EExtended strand (participates in β ladder)trans-82.5108.1171.9-167.90000109.7L59L59-S82 PolarHBondContact N-O 3.24Å
83I64.1Low54.9Low26 Ų2696.7 Ų96.713%0.13353%0.531CS..EExtended strand (participates in β ladder)trans-94.4121.9178.7-56.4-133.2000109.1L59 P61 F72 E76 L81 T85L59-I83 HydrophobicContact CB-CD1 3.96Å; L59-I83 HydrophobicContact CB-CG1 4.19Å; L59-I83 HydrophobicContact CD2-CD1 3.64Å; L59-I83 HydrophobicContact CG-CD1 4.12Å; P61-I83 HydrophobicContact CG-CG2 3.77Å; F72-I83 HydrophobicContact CD1-CD1 4.5Å; F72-I83 HydrophobicContact CE1-CD1 3.46Å; F72-I83 VanDerWaalsContact CE1-CD1 3.46Å; F72-I83 HydrophobicContact CZ-CD1 3.61Å; E76-I83 HydrophobicContact CB-CD1 4.46Å; E76-I83 HydrophobicContact CB-CG1 4.29Å; E76-I83 VanDerWaalsContact CD-CD1 3.46Å; E76-I83 HydrophobicContact CG-CD1 3.42Å; E76-I83 VanDerWaalsContact CG-CD1 3.42Å; E76-I83 HydrophobicContact CG-CG1 3.65Å; E76-I83 VanDerWaalsContact OE1-CD1 3.3Å; E76-I83 WeakPolarHBondContact OE1-CD1 3.07Å; L81-I83 PolarHBondContact O-N 3.25Å; I83-T85 WeakPolarHBondContact CG2-OG1 3.44Å; I83-T85 PolarHBondContact O-N 2.93Å
84S60.7Low54.5Low65 Ų6597 Ų9746%0.45553%0.534SS..  trans-89.380172.7-168.90000108.6L59 R86L59-S84 PolarHBondContact O-N 3.11Å; L59-S84 VanDerWaalsContact O-N 3.11Å; S84-R86 PolarHBondContact O-N 3.45Å
85T52.2Low54.1Low62 Ų6297.5 Ų97.538%0.3853%0.534SS..  trans-76.9111.2173.4-51.10000108.5I83 L87I83-T85 WeakPolarHBondContact CG2-OG1 3.44Å; I83-T85 PolarHBondContact O-N 2.93Å; T85-L87 HydrophobicContact CG2-CD2 4.11Å; T85-L87 HydrophobicContact CG2-CG 3.96Å; T85-L87 PolarHBondContact O-N 2.96Å
86R43.3Very low53.4Low179 Ų179102.5 Ų102.568%0.67556%0.563SS**  trans-7781.3163.9-80.3-163.6-176.4-154.74.5108.4N63 S84 R88N63-R86 PolarHBondContact ND2-O 3.24Å; N63-R86 VanDerWaalsContact ND2-O 3.15Å; N63-R86 PolarHBondContact OD1-O 3.45Å; S84-R86 PolarHBondContact O-N 3.45Å; R86-R88 PolarHBondContact O-N 2.81Å
87L36.7Very low52.8Low138 Ų138107.3 Ų107.372%0.72359%0.592SS**  trans-63.394155.8-67.6174000106.7T85 T89T85-L87 HydrophobicContact CG2-CD2 4.11Å; T85-L87 HydrophobicContact CG2-CG 3.96Å; T85-L87 PolarHBondContact O-N 2.96Å; L87-T89 VanDerWaalsContact C-N 3.26Å; L87-T89 PolarHBondContact O-N 3.44Å; L87-T89 VanDerWaalsContact O-N 3.09Å
88R32.3Very low51.9Low205 Ų205104.6 Ų104.677%0.77458%0.579SS**  trans-71.696.7157-80.2-168.5-173.7-150.93.8105.7R86 I90R86-R88 PolarHBondContact O-N 2.81Å; R88-I90 PolarHBondContact O-N 2.95Å
89T27Very low51Low126 Ų126103.5 Ų103.577%0.77357%0.567SS**  trans-58.1114.2149.8-54.70000106.6L87L87-T89 VanDerWaalsContact C-N 3.26Å; L87-T89 PolarHBondContact O-N 3.44Å; L87-T89 VanDerWaalsContact O-N 3.09Å
90I34.5Very low49.8Very low235 Ų235110.1 Ų110.1100%1.20560%0.596SS**  trans165.30137.8-68144.3000105.7R88R88-I90 PolarHBondContact O-N 2.95Å

Retrieved 90 of 90 residues in 33.2 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).