A0A096LPJ4_HUMAN Loading...

Ubiquitin-like protein ISG15

AlphaFold DB , UniProt , Accession A0A096LPJ4, Species HUMAN (Homo sapiens, Human), Gene ISG15, Length 157 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
1M36.3Very low68.9Low243 Ų243122.5 Ų122.5100%1.19768%0.682SS**  0102.40-74.1173.4147.200107.3A3M1-A3 PolarHBondContact O-N 3.45Å
2L44.8Very low69.7Low178 Ų178118.8 Ų118.893%0.93267%0.67SS**  trans-67.8113.6167.2-72.6156.8000105.2G4L2-G4 PolarHBondContact O-N 2.96Å
3A50.4Low70Confident93 Ų93118.2 Ų118.277%0.76968%0.679SS**  trans-65.688.3173.400000107.4M1 N5M1-A3 PolarHBondContact O-N 3.45Å; A3-N5 PolarHBondContact O-N 2.63Å
4G61.6Low70.7Confident58 Ų58117.3 Ų117.360%0.59868%0.683SS**  trans-79.284.1-173.500000109.9L2 E6L2-G4 PolarHBondContact O-N 2.96Å; G4-E6 PolarHBondContact O-N 3.11Å; G4-E6 VanDerWaalsContact O-N 3.15Å
5N75.1Confident71.5Confident152 Ų152110.1 Ų110.181%0.81364%0.64SS**  trans-67.5110.3163.7-79.628.9000107.8A3A3-N5 PolarHBondContact O-N 2.63Å
6E79.8Confident72.5Confident173 Ų173106.4 Ų106.481%0.80862%0.623SS**  trans-85.8137.3174.1-62.6176.59700109.3G4G4-E6 PolarHBondContact O-N 3.11Å; G4-E6 VanDerWaalsContact O-N 3.15Å
7F84.4Confident73.4Confident77 Ų77100.2 Ų100.234%0.33859%0.587SS.*  trans-134.4142.1170.861.1-88.3000109.2V9 I24 K27 I28 L65F7-V9 HydrophobicContact CD2-CG2 3.72Å; F7-V9 HydrophobicContact CE2-CG2 3.51Å; F7-I24 HydrophobicContact CE2-CG1 4.03Å; F7-I24 HydrophobicContact CZ-CG1 4.11Å; F7-I24 HydrophobicContact CZ-CG2 4.11Å; F7-K27 HydrophobicContact CD2-CD 3.96Å; F7-K27 HydrophobicContact CE2-CD 4.46Å; F7-I28 HydrophobicContact CD1-CG2 4.28Å; F7-I28 HydrophobicContact CE1-CG2 4.01Å; F7-I28 HydrophobicContact CZ-CG2 4.23Å; F7-L65 HydrophobicContact CE1-CD2 4.25Å; F7-L65 HydrophobicContact CZ-CD2 4.14Å
8Q83.9Confident74.1Confident174 Ų17497.8 Ų97.881%0.81358%0.576SS**  trans-83.3139.7178.5-66.8-179.5-24.700109.9K27Q8-K27 WeakPolarHBondContact O-CE 3.26Å; Q8-K27 PolarHBondContact O-NZ 3.25Å
9V82.9Confident74.8Confident34 Ų3498.9 Ų98.921%0.20658%0.575CS.*  trans-120.3138171.8-175.80000108.1F7 L11 L20 Q23 I24F7-V9 HydrophobicContact CD2-CG2 3.72Å; F7-V9 HydrophobicContact CE2-CG2 3.51Å; V9-L11 PolarHBondContact O-N 3.18Å; V9-L20 HydrophobicContact CB-CD1 4.18Å; V9-L20 HydrophobicContact CG1-CD1 3.78Å; V9-L20 HydrophobicContact CG2-CD1 4.42Å; V9-Q23 HydrophobicContact CG1-CB 3.79Å; V9-Q23 HydrophobicContact CG1-CG 4.31Å; V9-I24 HydrophobicContact CG2-CG1 4.44Å
10S82.2Confident75.5Confident93 Ų9394.4 Ų94.465%0.6555%0.548SS*.  trans-74.2117.2176.8-58.60000109.1Q23S10-Q23 PolarHBondContact O-NE2 3.19Å
11L76.3Confident76.1Confident73 Ų7392.2 Ų92.238%0.38253%0.533SS..  trans-105.4138.3179.6-68.5172000110.7V9 M15 L20 L52V9-L11 PolarHBondContact O-N 3.18Å; L11-M15 HydrophobicContact CD2-SD 3.82Å; L11-L20 HydrophobicContact CD2-CD1 4Å; L11-L52 HydrophobicContact CD2-CD1 3.63Å
12S78.8Confident78.6Confident77 Ų7783.1 Ų83.154%0.53850%0.496SS..  trans-110147.6169.4-61.90000110S14 M15S12-S14 PolarHBondContact O-N 3.3Å; S12-S14 VanDerWaalsContact O-N 3.08Å; S12-M15 WeakPolarHBondContact O-CB 3.25Å; S12-M15 PolarHBondContact O-N 3.35Å
13S73.1Confident80.6Confident112 Ų11276.9 Ų76.978%0.78346%0.462SS*.THydrogen-bonded Turntrans-60-24.1-175.7-46.80000114.4
14S80.1Confident82.5Confident105 Ų10572.7 Ų72.773%0.73443%0.427SS*.THydrogen-bonded Turntrans-99.16.7177.759.40000113.9S12S12-S14 PolarHBondContact O-N 3.3Å; S12-S14 VanDerWaalsContact O-N 3.08Å
15M83Confident83.7Confident9 Ų971.8 Ų71.84%0.04441%0.409CS..  trans-74.7137-172.8-169178-176.500111.6L11 S12 E19 L20 Q23 L52L11-M15 HydrophobicContact CD2-SD 3.82Å; S12-M15 WeakPolarHBondContact O-CB 3.25Å; S12-M15 PolarHBondContact O-N 3.35Å; M15-E19 HydrophobicContact CE-CB 3.7Å; M15-E19 HydrophobicContact CE-CG 3.4Å; M15-E19 VanDerWaalsContact CE-CG 3.4Å; M15-E19 WeakPolarHBondContact CE-O 3.17Å; M15-E19 HydrophobicContact CG-CB 3.85Å; M15-E19 HydrophobicContact CG-CG 3.94Å; M15-E19 HydrophobicContact SD-CG 4.48Å; M15-L20 HydrophobicContact CE-CB 4.19Å; M15-L20 VanDerWaalsContact CE-N 3.3Å; M15-Q23 HydrophobicContact CE-CG 4.11Å; M15-L52 HydrophobicContact CB-CD1 4.09Å; M15-L52 HydrophobicContact CG-CD1 4.08Å; M15-L52 WeakPolarHBondContact O-CG 3.36Å; M15-L52 PolarHBondContact O-N 2.99Å; M15-L52 HydrophobicContact SD-CD1 4.35Å
16S88.1Confident84.3Confident51 Ų5172.8 Ų72.836%0.35741%0.409SS..  trans-89.4161.4177.3-58.40000111.8S18 E19 L20S16-S18 VanDerWaalsContact C-N 3.26Å; S16-S18 PolarHBondContact O-N 3.46Å; S16-E19 PolarHBondContact O-N 3.5Å; S16-L20 PolarHBondContact O-N 2.94Å; S16-L20 VanDerWaalsContact O-N 3.08Å
17V87.4Confident84.6Confident2 Ų270 Ų701%0.01239%0.394CS..Hα-helixtrans-61.3-36.9175.2-175.90000111.4E19 L20 K21 L37 L46 Q47 L52V17-E19 VanDerWaalsContact C-N 3.3Å; V17-E19 PolarHBondContact O-N 2.59Å; V17-L20 WeakPolarHBondContact O-CB 3.2Å; V17-L20 PolarHBondContact O-N 2.89Å; V17-K21 HydrophobicContact CG1-CD 4.38Å; V17-K21 HydrophobicContact CG1-CG 4.35Å; V17-K21 WeakPolarHBondContact O-CG 3.33Å; V17-K21 PolarHBondContact O-N 3.48Å; V17-L37 HydrophobicContact CG1-CD1 4.19Å; V17-L46 HydrophobicContact CG1-CB 4.02Å; V17-L46 HydrophobicContact CG1-CD1 4.47Å; V17-L46 HydrophobicContact CG2-CB 4.01Å; V17-Q47 VanDerWaalsContact CG2-O 3.26Å; V17-Q47 WeakPolarHBondContact CG2-O 3.47Å; V17-L52 HydrophobicContact CB-CD2 4.42Å; V17-L52 HydrophobicContact CG2-CD2 3.73Å
18S86.1Confident84.6Confident56 Ų5669.6 Ų69.639%0.39240%0.395SS..Hα-helixtrans-60.5-40.6177.5-16.30000111.7S16 K21 A22 D48S16-S18 VanDerWaalsContact C-N 3.26Å; S16-S18 PolarHBondContact O-N 3.46Å; S18-K21 PolarHBondContact O-N 3.4Å; S18-A22 WeakPolarHBondContact O-CB 3.29Å; S18-A22 PolarHBondContact O-N 3.19Å; S18-D48 WeakPolarHBondContact CB-OD2 3.48Å; S18-D48 PolarHBondContact N-OD2 3.47Å; S18-D48 VanDerWaalsContact OG-CG 3.29Å; S18-D48 PolarHBondContact OG-OD1 2.86Å; S18-D48 PolarHBondContact OG-OD2 2.99Å
19E87.6Confident84.6Confident120 Ų12063.9 Ų63.956%0.56138%0.383SS*.Hα-helixtrans-68.3-38.2176.3-166.4118.672.400111.2M15 S16 V17 K21 A22 Q23M15-E19 HydrophobicContact CE-CB 3.7Å; M15-E19 HydrophobicContact CE-CG 3.4Å; M15-E19 VanDerWaalsContact CE-CG 3.4Å; M15-E19 WeakPolarHBondContact CE-O 3.17Å; M15-E19 HydrophobicContact CG-CB 3.85Å; M15-E19 HydrophobicContact CG-CG 3.94Å; M15-E19 HydrophobicContact SD-CG 4.48Å; S16-E19 PolarHBondContact O-N 3.5Å; V17-E19 VanDerWaalsContact C-N 3.3Å; V17-E19 PolarHBondContact O-N 2.59Å; E19-K21 VanDerWaalsContact C-N 3.34Å; E19-A22 PolarHBondContact O-N 3.18Å; E19-Q23 PolarHBondContact O-N 3.39Å
20L88.4Confident84.7Confident8 Ų863.3 Ų63.34%0.04238%0.38CS..Hα-helixtrans-62.9-44.8174.7173.259.3000110.3V9 L11 M15 S16 V17 A22 Q23 I24 L37 L46 L52V9-L20 HydrophobicContact CB-CD1 4.18Å; V9-L20 HydrophobicContact CG1-CD1 3.78Å; V9-L20 HydrophobicContact CG2-CD1 4.42Å; L11-L20 HydrophobicContact CD2-CD1 4Å; M15-L20 HydrophobicContact CE-CB 4.19Å; M15-L20 VanDerWaalsContact CE-N 3.3Å; S16-L20 PolarHBondContact O-N 2.94Å; S16-L20 VanDerWaalsContact O-N 3.08Å; V17-L20 WeakPolarHBondContact O-CB 3.2Å; V17-L20 PolarHBondContact O-N 2.89Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.8Å; L20-Q23 PolarHBondContact O-N 3.47Å; L20-I24 HydrophobicContact CD1-CD1 4.16Å; L20-I24 HydrophobicContact CD1-CG1 4.41Å; L20-I24 HydrophobicContact CG-CD1 4.09Å; L20-I24 VanDerWaalsContact O-CG1 3.29Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 3.29Å; L20-L37 HydrophobicContact CD2-CD1 3.89Å; L20-L37 HydrophobicContact CG-CD1 4.06Å; L20-L46 HydrophobicContact CD2-CD1 4.03Å; L20-L52 HydrophobicContact CB-CD1 4.02Å; L20-L52 HydrophobicContact CD2-CD1 4.07Å; L20-L52 HydrophobicContact CD2-CD2 3.86Å
21K88.8Confident84.9Confident49 Ų4961.6 Ų61.621%0.21336%0.361CS..Hα-helixtrans-60.8-41.9175.2-71.8179.3171.6-161.50111.9V17 S18 E19 Q23 I24 T25 A32 Q35 L37V17-K21 HydrophobicContact CG1-CD 4.38Å; V17-K21 HydrophobicContact CG1-CG 4.35Å; V17-K21 WeakPolarHBondContact O-CG 3.33Å; V17-K21 PolarHBondContact O-N 3.48Å; S18-K21 PolarHBondContact O-N 3.4Å; E19-K21 VanDerWaalsContact C-N 3.34Å; K21-Q23 PolarHBondContact O-N 3.36Å; K21-I24 PolarHBondContact O-N 3.09Å; K21-T25 PolarHBondContact O-N 2.93Å; K21-T25 PolarHBondContact O-OG1 3.17Å; K21-A32 HydrophobicContact CB-CB 3.87Å; K21-A32 HydrophobicContact CD-CB 4.16Å; K21-A32 PolarHBondContact NZ-O 3.04Å; K21-Q35 HydrophobicContact CG-CB 4.44Å; K21-Q35 PolarHBondContact NZ-O 2.91Å; K21-Q35 PolarHBondContact O-NE2 3.17Å; K21-Q35 PolarHBondContact O-OE1 3.28Å; K21-L37 HydrophobicContact CG-CD1 3.73Å
22A87.2Confident85.3Confident52 Ų5259 Ų5943%0.4335%0.35SS..Hα-helixtrans-61.1-42.7176.300000112.1S18 E19 L20 I24 T25 Q26S18-A22 WeakPolarHBondContact O-CB 3.29Å; S18-A22 PolarHBondContact O-N 3.19Å; E19-A22 PolarHBondContact O-N 3.18Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.8Å; A22-I24 VanDerWaalsContact C-N 3.35Å; A22-I24 PolarHBondContact O-N 3.34Å; A22-T25 WeakPolarHBondContact O-CB 3.01Å; A22-T25 PolarHBondContact O-N 3.3Å; A22-Q26 PolarHBondContact O-N 3.43Å
23Q88.4Confident85.5Confident46 Ų4658 Ų5822%0.21534%0.336CS..Hα-helixtrans-63.1-40174-80.4-156.176.300112.6V9 S10 M15 E19 L20 K21 Q26 K27V9-Q23 HydrophobicContact CG1-CB 3.79Å; V9-Q23 HydrophobicContact CG1-CG 4.31Å; S10-Q23 PolarHBondContact O-NE2 3.19Å; M15-Q23 HydrophobicContact CE-CG 4.11Å; E19-Q23 PolarHBondContact O-N 3.39Å; L20-Q23 PolarHBondContact O-N 3.47Å; K21-Q23 PolarHBondContact O-N 3.36Å; Q23-Q26 PolarHBondContact O-N 3.43Å; Q23-K27 PolarHBondContact O-N 2.85Å
24I88.6Confident86.1Confident6 Ų653.9 Ų53.93%0.03131%0.305CS..Hα-helixtrans-63.2-44.4174.6-65.8167.7000109.8F7 V9 L20 K21 A22 Q26 K27 I28 Q35 L37 L65F7-I24 HydrophobicContact CE2-CG1 4.03Å; F7-I24 HydrophobicContact CZ-CG1 4.11Å; F7-I24 HydrophobicContact CZ-CG2 4.11Å; V9-I24 HydrophobicContact CG2-CG1 4.44Å; L20-I24 HydrophobicContact CD1-CD1 4.16Å; L20-I24 HydrophobicContact CD1-CG1 4.41Å; L20-I24 HydrophobicContact CG-CD1 4.09Å; L20-I24 VanDerWaalsContact O-CG1 3.29Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 3.29Å; K21-I24 PolarHBondContact O-N 3.09Å; A22-I24 VanDerWaalsContact C-N 3.35Å; A22-I24 PolarHBondContact O-N 3.34Å; I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 2.99Å; I24-K27 PolarHBondContact O-N 3.28Å; I24-K27 VanDerWaalsContact O-N 3.09Å; I24-I28 HydrophobicContact CG2-CD1 3.53Å; I24-I28 HydrophobicContact CG2-CG1 3.63Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 2.75Å; I24-Q35 VanDerWaalsContact CB-OE1 3.31Å; I24-Q35 VanDerWaalsContact CG2-CD 3.45Å; I24-Q35 HydrophobicContact CG2-CG 4.18Å; I24-L37 HydrophobicContact CD1-CD1 4.01Å; I24-L37 HydrophobicContact CD1-CD2 3.61Å; I24-L37 HydrophobicContact CD1-CG 4.44Å; I24-L65 HydrophobicContact CG2-CD2 3.78Å
25T87.7Confident86.5Confident38 Ų3849.2 Ų49.223%0.23327%0.271CS..Hα-helixtrans-55.1-44.1175-52.30000111.1K21 A22 G29 V30 Q35K21-T25 PolarHBondContact O-N 2.93Å; K21-T25 PolarHBondContact O-OG1 3.17Å; A22-T25 WeakPolarHBondContact O-CB 3.01Å; A22-T25 PolarHBondContact O-N 3.3Å; T25-G29 WeakPolarHBondContact O-CA 3.26Å; T25-G29 PolarHBondContact O-N 3.1Å; T25-V30 VanDerWaalsContact CA-O 3.22Å; T25-V30 WeakPolarHBondContact CA-O 3.16Å; T25-V30 WeakPolarHBondContact CB-O 3.45Å; T25-V30 PolarHBondContact OG1-O 3.31Å; T25-Q35 PolarHBondContact OG1-NE2 2.89Å
26Q86.7Confident86.7Confident173 Ų17355.9 Ų55.981%0.80830%0.296SS*.Hα-helixtrans-68.8-33.4179.1-169.7172.962.500113.1A22 Q23 I24A22-Q26 PolarHBondContact O-N 3.43Å; Q23-Q26 PolarHBondContact O-N 3.43Å; I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 2.99Å
27K86.1Confident86.7Confident114 Ų11453.8 Ų53.850%0.49628%0.281SS..Hα-helixtrans-80.8-42.9-178.9-78-161.5179.5-144.90114.5F7 Q8 Q23 I24F7-K27 HydrophobicContact CD2-CD 3.96Å; F7-K27 HydrophobicContact CE2-CD 4.46Å; Q8-K27 WeakPolarHBondContact O-CE 3.26Å; Q8-K27 PolarHBondContact O-NZ 3.25Å; Q23-K27 PolarHBondContact O-N 2.85Å; I24-K27 PolarHBondContact O-N 3.28Å; I24-K27 VanDerWaalsContact O-N 3.09Å
28I85Confident86.8Confident69 Ų6954.5 Ų54.535%0.35429%0.287SS..Hα-helixtrans-117.9-2.4-171.463.5160.9000113.6F7 I24 V30 L65F7-I28 HydrophobicContact CD1-CG2 4.28Å; F7-I28 HydrophobicContact CE1-CG2 4.01Å; F7-I28 HydrophobicContact CZ-CG2 4.23Å; I24-I28 HydrophobicContact CG2-CD1 3.53Å; I24-I28 HydrophobicContact CG2-CG1 3.63Å; I24-I28 WeakPolarHBondContact O-CG1 3.37Å; I24-I28 PolarHBondContact O-N 2.75Å; I28-V30 VanDerWaalsContact C-N 3.27Å; I28-V30 HydrophobicContact CD1-CB 3.78Å; I28-V30 HydrophobicContact CD1-CG2 3.46Å; I28-V30 VanDerWaalsContact CD1-CG2 3.46Å; I28-V30 HydrophobicContact CG1-CB 4.01Å; I28-V30 HydrophobicContact CG1-CG2 3.84Å; I28-V30 PolarHBondContact O-N 3Å; I28-L65 HydrophobicContact CD1-CD2 3.38Å
29G83.8Confident86.9Confident55 Ų5552.5 Ų52.557%0.56727%0.272SS*.  trans72.713178.200000115T25T25-G29 WeakPolarHBondContact O-CA 3.26Å; T25-G29 PolarHBondContact O-N 3.1Å
30V86.1Confident86.8Confident21 Ų2151.3 Ų51.313%0.12727%0.266CS..  trans-93.5126.3179.9178.20000109.5T25 I28 Q34 Q35 V67T25-V30 VanDerWaalsContact CA-O 3.22Å; T25-V30 WeakPolarHBondContact CA-O 3.16Å; T25-V30 WeakPolarHBondContact CB-O 3.45Å; T25-V30 PolarHBondContact OG1-O 3.31Å; I28-V30 VanDerWaalsContact C-N 3.27Å; I28-V30 HydrophobicContact CD1-CB 3.78Å; I28-V30 HydrophobicContact CD1-CG2 3.46Å; I28-V30 VanDerWaalsContact CD1-CG2 3.46Å; I28-V30 HydrophobicContact CG1-CB 4.01Å; I28-V30 HydrophobicContact CG1-CG2 3.84Å; I28-V30 PolarHBondContact O-N 3Å; V30-Q34 HydrophobicContact CG1-CB 3.72Å; V30-Q35 HydrophobicContact CB-CG 4.39Å; V30-Q35 HydrophobicContact CG1-CG 3.79Å; V30-Q35 PolarHBondContact O-NE2 3.35Å; V30-V67 HydrophobicContact CG1-CB 4.49Å; V30-V67 HydrophobicContact CG1-CG1 3.71Å; V30-V67 HydrophobicContact CG1-CG2 4.11Å; V30-V67 HydrophobicContact CG2-CG1 4.28Å; V30-V67 HydrophobicContact CG2-CG2 4.15Å
31H86.1Confident86.4Confident57 Ų5756.3 Ų56.326%0.26430%0.3SS..  trans-68.4151.9-177.1-65.9-66.8000113.4F33 Q34 Q35H31-F33 HydrophobicContact CB-CD1 3.48Å; H31-F33 VanDerWaalsContact CB-CD1 3.48Å; H31-F33 HydrophobicContact CB-CE1 3.26Å; H31-F33 HydrophobicContact CB-CG 4.49Å; H31-F33 HydrophobicContact CB-CZ 4.14Å; H31-F33 AromaticContact CG-CE1 3.76Å; H31-F33 PolarHBondContact O-N 3.34Å; H31-F33 VanDerWaalsContact O-N 3.13Å; H31-Q34 HydrophobicContact CB-CG 4.47Å; H31-Q34 WeakPolarHBondContact O-CA 3.35Å; H31-Q34 WeakPolarHBondContact O-CB 3.48Å; H31-Q34 PolarHBondContact O-N 2.89Å; H31-Q35 WeakPolarHBondContact O-CG 3.11Å; H31-Q35 PolarHBondContact O-N 2.78Å
32A84.8Confident86.1Confident19 Ų1957.6 Ų57.616%0.15731%0.314CS..THydrogen-bonded Turntrans-59.3-31.1-173.800000113.4K21 Q34 Q35K21-A32 HydrophobicContact CB-CB 3.87Å; K21-A32 HydrophobicContact CD-CB 4.16Å; K21-A32 PolarHBondContact NZ-O 3.04Å; A32-Q34 VanDerWaalsContact C-N 3.34Å; A32-Q35 PolarHBondContact O-N 2.86Å
33F83.1Confident85.9Confident56 Ų5657.3 Ų57.325%0.24632%0.317CS..THydrogen-bonded Turntrans-72-24175.475.5-91.8000113.7H31 L92 T93 P128H31-F33 HydrophobicContact CB-CD1 3.48Å; H31-F33 VanDerWaalsContact CB-CD1 3.48Å; H31-F33 HydrophobicContact CB-CE1 3.26Å; H31-F33 HydrophobicContact CB-CG 4.49Å; H31-F33 HydrophobicContact CB-CZ 4.14Å; H31-F33 AromaticContact CG-CE1 3.76Å; H31-F33 PolarHBondContact O-N 3.34Å; H31-F33 VanDerWaalsContact O-N 3.13Å; F33-L92 HydrophobicContact CD2-CB 4.19Å; F33-L92 HydrophobicContact CD2-CD1 4.19Å; F33-L92 HydrophobicContact CE2-CB 3.48Å; F33-L92 VanDerWaalsContact CE2-CB 3.48Å; F33-L92 HydrophobicContact CE2-CD1 4.18Å; F33-L92 HydrophobicContact CE2-CG 4.5Å; F33-L92 HydrophobicContact CZ-CB 3.74Å; F33-L92 WeakPolarHBondContact CZ-O 3.47Å; F33-T93 HydrophobicContact CZ-CG2 4.02Å; F33-P128 HydrophobicContact CE1-CG 4.47Å
34Q86.1Confident85.8Confident26 Ų2659 Ų5912%0.12133%0.33CS..THydrogen-bonded Turntrans-86-11.6174.9-62-178.5-47.300112.2V30 H31 A32 D68 T93V30-Q34 HydrophobicContact CG1-CB 3.72Å; H31-Q34 HydrophobicContact CB-CG 4.47Å; H31-Q34 WeakPolarHBondContact O-CA 3.35Å; H31-Q34 WeakPolarHBondContact O-CB 3.48Å; H31-Q34 PolarHBondContact O-N 2.89Å; A32-Q34 VanDerWaalsContact C-N 3.34Å; Q34-D68 WeakPolarHBondContact CB-O 3.48Å; Q34-D68 PolarHBondContact O-N 2.79Å; Q34-T93 VanDerWaalsContact NE2-CG2 3.28Å
35Q87.9Confident85.7Confident6 Ų661.3 Ų61.33%0.02835%0.35CS..EExtended strand (participates in β ladder)trans-91.3115.8-176.3-63.7173.435.200111.6K21 I24 T25 V30 H31 A32 L65K21-Q35 HydrophobicContact CG-CB 4.44Å; K21-Q35 PolarHBondContact NZ-O 2.91Å; K21-Q35 PolarHBondContact O-NE2 3.17Å; K21-Q35 PolarHBondContact O-OE1 3.28Å; I24-Q35 VanDerWaalsContact CB-OE1 3.31Å; I24-Q35 VanDerWaalsContact CG2-CD 3.45Å; I24-Q35 HydrophobicContact CG2-CG 4.18Å; T25-Q35 PolarHBondContact OG1-NE2 2.89Å; V30-Q35 HydrophobicContact CB-CG 4.39Å; V30-Q35 HydrophobicContact CG1-CG 3.79Å; V30-Q35 PolarHBondContact O-NE2 3.35Å; H31-Q35 WeakPolarHBondContact O-CG 3.11Å; H31-Q35 PolarHBondContact O-N 2.78Å; A32-Q35 PolarHBondContact O-N 2.86Å; Q35-L65 HydrophobicContact CB-CD1 3.8Å; Q35-L65 HydrophobicContact CG-CD1 3.91Å
36R87.2Confident85.7Confident149 Ų14960.6 Ų60.656%0.56234%0.344SS*.EExtended strand (participates in β ladder)trans-105110.8167.9-176.1176.3-64.8-87.6-0.3109.3V66R36-V66 HydrophobicContact CB-CB 4.22Å; R36-V66 WeakPolarHBondContact CB-O 3.36Å; R36-V66 PolarHBondContact N-O 2.65Å; R36-V66 PolarHBondContact O-N 3Å
37L88.5Confident85.5Confident8 Ų857.9 Ų57.94%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-102.9132.8-177.3-59177000110.6V17 L20 K21 I24 A45 L46 V63 L64 L65V17-L37 HydrophobicContact CG1-CD1 4.19Å; L20-L37 HydrophobicContact CD2-CD1 3.89Å; L20-L37 HydrophobicContact CG-CD1 4.06Å; K21-L37 HydrophobicContact CG-CD1 3.73Å; I24-L37 HydrophobicContact CD1-CD1 4.01Å; I24-L37 HydrophobicContact CD1-CD2 3.61Å; I24-L37 HydrophobicContact CD1-CG 4.44Å; L37-A45 WeakPolarHBondContact O-CA 3.34Å; L37-L46 HydrophobicContact CB-CB 4.24Å; L37-L46 HydrophobicContact CB-CD1 3.69Å; L37-L46 HydrophobicContact CB-CG 4.12Å; L37-L46 HydrophobicContact CD1-CD1 4.11Å; L37-L46 PolarHBondContact O-N 2.9Å; L37-V63 HydrophobicContact CB-CG1 3.88Å; L37-V63 HydrophobicContact CD2-CG1 4.03Å; L37-V63 HydrophobicContact CG-CG1 4.45Å; L37-L64 WeakPolarHBondContact CA-O 3.45Å; L37-L65 HydrophobicContact CD2-CB 4.07Å; L37-L65 HydrophobicContact CD2-CD1 3.59Å; L37-L65 HydrophobicContact CD2-CG 4.39Å
38A88.9Confident85.2Confident16 Ų1656.7 Ų56.713%0.13233%0.331CS..EExtended strand (participates in β ladder)trans-135.3143.5174.500000111.5V44 V63 L64A38-V44 CarbonylContact C-O 3.55Å; A38-V44 VanDerWaalsContact CA-O 3.22Å; A38-V44 WeakPolarHBondContact CA-O 3.36Å; A38-V63 CarbonylContact O-C 3.48Å; A38-V63 WeakPolarHBondContact O-CA 3.15Å; A38-V63 WeakPolarHBondContact O-CG1 3.23Å; A38-L64 PolarHBondContact N-O 2.98Å; A38-L64 PolarHBondContact O-N 3.48Å
39V88.2Confident84.9Confident14 Ų1464.8 Ų64.89%0.08536%0.357CS..EExtended strand (participates in β ladder)trans-71.1133.5178-177.40000109.7S42 G43 V44 L46 L57V39-S42 PolarHBondContact O-N 2.87Å; V39-S42 PolarHBondContact O-OG 2.97Å; V39-G43 WeakPolarHBondContact O-CA 3.5Å; V39-G43 PolarHBondContact O-N 3.09Å; V39-V44 PolarHBondContact N-O 3.29Å; V39-L46 HydrophobicContact CG2-CD2 3.43Å; V39-L46 VanDerWaalsContact CG2-CD2 3.43Å; V39-L46 HydrophobicContact CG2-CG 4.32Å; V39-L57 HydrophobicContact CG1-CD2 4.04Å; V39-L57 HydrophobicContact CG2-CD2 4.06Å; V39-L57 HydrophobicContact CG2-CG 4.24Å
40H84.7Confident84.9Confident95 Ų9564.2 Ų64.244%0.4434%0.343SS..THydrogen-bonded Turntrans-97.3139.7171.5-178.1-88.3000110.5T62 L64H40-T62 HydrophobicContact CB-CG2 4.42Å; H40-T62 WeakPolarHBondContact CB-O 3.41Å; H40-T62 PolarHBondContact N-O 3.31Å; H40-L64 HydrophobicContact CB-CG 4.19Å
41P81.1Confident84.8Confident114 Ų11466.1 Ų66.174%0.7436%0.355SS*.THydrogen-bonded Turncis-89.9-0.11.635.1-35.6000114.6G43P41-G43 PolarHBondContact O-N 2.99Å
42S82.6Confident84.8Confident75 Ų7563.7 Ų63.752%0.52434%0.344SS..THydrogen-bonded Turntrans-66.8-21.2-170.962.40000114.3V39 V44V39-S42 PolarHBondContact O-N 2.87Å; V39-S42 PolarHBondContact O-OG 2.97Å; S42-V44 PolarHBondContact O-N 3.29Å
43G82.3Confident84.7Confident47 Ų4765.4 Ų65.449%0.48536%0.358SS..THydrogen-bonded Turntrans69.79.1-17600000113.7V39 P41 A45V39-G43 WeakPolarHBondContact O-CA 3.5Å; V39-G43 PolarHBondContact O-N 3.09Å; P41-G43 PolarHBondContact O-N 2.99Å; G43-A45 PolarHBondContact O-N 2.98Å
44V86.6Confident84.7Confident82 Ų8267.1 Ų67.150%0.49738%0.377SS..EExtended strand (participates in β ladder)trans-74.2124.2-175.9176.50000109.7A38 V39 S42A38-V44 CarbonylContact C-O 3.55Å; A38-V44 VanDerWaalsContact CA-O 3.22Å; A38-V44 WeakPolarHBondContact CA-O 3.36Å; V39-V44 PolarHBondContact N-O 3.29Å; S42-V44 PolarHBondContact O-N 3.29Å
45A86.6Confident84.6Confident53 Ų5367.5 Ų67.544%0.43838%0.379SS..EExtended strand (participates in β ladder)trans-64.2134.3177.100000111.4L37 G43L37-A45 WeakPolarHBondContact O-CA 3.34Å; G43-A45 PolarHBondContact O-N 2.98Å
46L86.5Confident84.2Confident23 Ų2369.9 Ų69.912%0.1241%0.405CS..PPolyproline II helixtrans-67.6146175-66.6-178.9000110.8V17 L20 L37 V39 L52 Q55 L57 V63V17-L46 HydrophobicContact CG1-CB 4.02Å; V17-L46 HydrophobicContact CG1-CD1 4.47Å; V17-L46 HydrophobicContact CG2-CB 4.01Å; L20-L46 HydrophobicContact CD2-CD1 4.03Å; L37-L46 HydrophobicContact CB-CB 4.24Å; L37-L46 HydrophobicContact CB-CD1 3.69Å; L37-L46 HydrophobicContact CB-CG 4.12Å; L37-L46 HydrophobicContact CD1-CD1 4.11Å; L37-L46 PolarHBondContact O-N 2.9Å; V39-L46 HydrophobicContact CG2-CD2 3.43Å; V39-L46 VanDerWaalsContact CG2-CD2 3.43Å; V39-L46 HydrophobicContact CG2-CG 4.32Å; L46-L52 HydrophobicContact CD1-CD2 3.95Å; L46-Q55 HydrophobicContact CD2-CB 4.05Å; L46-Q55 VanDerWaalsContact CD2-OE1 3.28Å; L46-L57 HydrophobicContact CD1-CD1 3.83Å; L46-L57 HydrophobicContact CD2-CD1 3.61Å; L46-L57 HydrophobicContact CD2-CG 4.34Å; L46-L57 HydrophobicContact CG-CD1 4.38Å; L46-V63 HydrophobicContact CD1-CG1 4.05Å
47Q82.9Confident83.9Confident117 Ų11763.4 Ų63.455%0.54738%0.382SS..  trans-117.5124.6-176.2-59.5-177.747.600109.3V17 R49 V50 Q55V17-Q47 VanDerWaalsContact CG2-O 3.26Å; V17-Q47 WeakPolarHBondContact CG2-O 3.47Å; Q47-R49 PolarHBondContact O-N 3.13Å; Q47-R49 VanDerWaalsContact O-N 3.13Å; Q47-V50 HydrophobicContact CB-CG2 4.18Å; Q47-V50 PolarHBondContact O-N 2.96Å; Q47-Q55 VanDerWaalsContact N-NE2 3.11Å; Q47-Q55 PolarHBondContact O-OE1 3.15Å
48D79.9Confident83.6Confident88 Ų8864.2 Ų64.247%0.47139%0.392SS..THydrogen-bonded Turntrans-58.4-31.9-173.8-167.5-102.5000114.2S18 V50S18-D48 WeakPolarHBondContact CB-OD2 3.48Å; S18-D48 PolarHBondContact N-OD2 3.47Å; S18-D48 VanDerWaalsContact OG-CG 3.29Å; S18-D48 PolarHBondContact OG-OD1 2.86Å; S18-D48 PolarHBondContact OG-OD2 2.99Å; D48-V50 VanDerWaalsContact C-N 3.25Å; D48-V50 PolarHBondContact O-N 2.82Å
49R79.3Confident83.3Confident239 Ų23970.3 Ų70.390%0.90243%0.43SS*.THydrogen-bonded Turntrans-79.3-1.7-178.3-60.9-171.4179.5-167.7-0.3114.4Q47Q47-R49 PolarHBondContact O-N 3.13Å; Q47-R49 VanDerWaalsContact O-N 3.13Å
50V83.1Confident83Confident44 Ų4473.6 Ų73.627%0.26747%0.467SS..SBendtrans-122131.2-174-173.60000109.5Q47 D48 Q55Q47-V50 HydrophobicContact CB-CG2 4.18Å; Q47-V50 PolarHBondContact O-N 2.96Å; D48-V50 VanDerWaalsContact C-N 3.25Å; D48-V50 PolarHBondContact O-N 2.82Å; V50-Q55 HydrophobicContact CB-CG 3.93Å; V50-Q55 HydrophobicContact CG1-CG 3.58Å
51P85.6Confident83.1Confident61 Ų6171.5 Ų71.540%0.39646%0.463SS..  trans-59.3143.4175.3-21.631.9000111.5A53 S54 Q55P51-A53 PolarHBondContact O-N 2.87Å; P51-S54 WeakPolarHBondContact O-CB 3.38Å; P51-S54 PolarHBondContact O-N 2.97Å; P51-Q55 WeakPolarHBondContact O-CG 3.26Å; P51-Q55 PolarHBondContact O-N 3.23Å
52L84.3Confident83.4Confident5 Ų569 Ų693%0.02645%0.446CS..G310 helixtrans-55.4-39.7-177.4-63.6170.2000112.1L11 M15 V17 L20 L46 S54 Q55 L57L11-L52 HydrophobicContact CD2-CD1 3.63Å; M15-L52 HydrophobicContact CB-CD1 4.09Å; M15-L52 HydrophobicContact CG-CD1 4.08Å; M15-L52 WeakPolarHBondContact O-CG 3.36Å; M15-L52 PolarHBondContact O-N 2.99Å; M15-L52 HydrophobicContact SD-CD1 4.35Å; V17-L52 HydrophobicContact CB-CD2 4.42Å; V17-L52 HydrophobicContact CG2-CD2 3.73Å; L20-L52 HydrophobicContact CB-CD1 4.02Å; L20-L52 HydrophobicContact CD2-CD1 4.07Å; L20-L52 HydrophobicContact CD2-CD2 3.86Å; L46-L52 HydrophobicContact CD1-CD2 3.95Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 3.43Å; L52-Q55 PolarHBondContact O-N 3.14Å; L52-L57 HydrophobicContact CB-CB 4.24Å; L52-L57 HydrophobicContact CB-CD1 4.08Å; L52-L57 HydrophobicContact CD2-CD1 3.6Å; L52-L57 HydrophobicContact CG-CD1 4.37Å; L52-L57 WeakPolarHBondContact O-CB 3.42Å; L52-L57 PolarHBondContact O-N 2.79Å
53A82.9Confident83.7Confident55 Ų5567.5 Ų67.546%0.45543%0.433SS..G310 helixtrans-58.5-38.1177.100000113.1P51 Q55 G56 L57P51-A53 PolarHBondContact O-N 2.87Å; A53-Q55 VanDerWaalsContact C-N 3.26Å; A53-Q55 PolarHBondContact O-N 2.87Å; A53-G56 PolarHBondContact O-N 3.04Å; A53-L57 WeakPolarHBondContact CA-O 2.96Å
54S84.1Confident84Confident92 Ų9269.1 Ų69.164%0.64343%0.43SS*.G310 helixtrans-75.9-14.8177.6-56.60000113P51 L52 G56P51-S54 WeakPolarHBondContact O-CB 3.38Å; P51-S54 PolarHBondContact O-N 2.97Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 3.43Å; S54-G56 VanDerWaalsContact C-N 3.3Å
55Q83.5Confident84Confident35 Ų3567.5 Ų67.516%0.16442%0.418CS..G310 helixtrans-92.210.3176.2-49-152.9-79.800112.6L46 Q47 V50 P51 L52 A53L46-Q55 HydrophobicContact CD2-CB 4.05Å; L46-Q55 VanDerWaalsContact CD2-OE1 3.28Å; Q47-Q55 VanDerWaalsContact N-NE2 3.11Å; Q47-Q55 PolarHBondContact O-OE1 3.15Å; V50-Q55 HydrophobicContact CB-CG 3.93Å; V50-Q55 HydrophobicContact CG1-CG 3.58Å; P51-Q55 WeakPolarHBondContact O-CG 3.26Å; P51-Q55 PolarHBondContact O-N 3.23Å; L52-Q55 PolarHBondContact O-N 3.14Å; A53-Q55 VanDerWaalsContact C-N 3.26Å; A53-Q55 PolarHBondContact O-N 2.87Å
56G78.6Confident84Confident56 Ų5668.9 Ų68.958%0.57742%0.421SS*.THydrogen-bonded Turntrans79.218.7-179.600000113.9A53 S54A53-G56 PolarHBondContact O-N 3.04Å; S54-G56 VanDerWaalsContact C-N 3.3Å
57L82.7Confident83.9Confident12 Ų1270.7 Ų70.76%0.06343%0.433CS..  trans-93.3123.9172.2-64.8175.4000110.6V39 L46 L52 A53 V63V39-L57 HydrophobicContact CG1-CD2 4.04Å; V39-L57 HydrophobicContact CG2-CD2 4.06Å; V39-L57 HydrophobicContact CG2-CG 4.24Å; L46-L57 HydrophobicContact CD1-CD1 3.83Å; L46-L57 HydrophobicContact CD2-CD1 3.61Å; L46-L57 HydrophobicContact CD2-CG 4.34Å; L46-L57 HydrophobicContact CG-CD1 4.38Å; L52-L57 HydrophobicContact CB-CB 4.24Å; L52-L57 HydrophobicContact CB-CD1 4.08Å; L52-L57 HydrophobicContact CD2-CD1 3.6Å; L52-L57 HydrophobicContact CG-CD1 4.37Å; L52-L57 WeakPolarHBondContact O-CB 3.42Å; L52-L57 PolarHBondContact O-N 2.79Å; A53-L57 WeakPolarHBondContact CA-O 2.96Å; L57-V63 HydrophobicContact CD1-CG2 3.9Å; L57-V63 HydrophobicContact CD2-CG2 3.61Å; L57-V63 HydrophobicContact CG-CG2 4.43Å
58G81.3Confident83.7Confident25 Ų2567.7 Ų67.726%0.25842%0.421SS..  trans-135.7-173.4174.700000112.2G60 S61G58-G60 PolarHBondContact O-N 2.83Å; G58-S61 PolarHBondContact N-OG 2.85Å; G58-S61 VanDerWaalsContact O-CB 3.27Å; G58-S61 WeakPolarHBondContact O-CB 3.28Å; G58-S61 PolarHBondContact O-N 2.84Å; G58-S61 PolarHBondContact O-OG 2.88Å
59P82.4Confident83.2Confident145 Ų14572.2 Ų72.294%0.94244%0.436SS*.THydrogen-bonded Turntrans-57.7124.7175.6-21.132.2000110.9S61P59-S61 VanDerWaalsContact C-N 3.32Å
60G82.6Confident82.4Confident82 Ų8263.9 Ų63.985%0.84541%0.414SS*.THydrogen-bonded Turntrans83.9-0.8-177.900000115.1G58G58-G60 PolarHBondContact O-N 2.83Å
61S86.3Confident81.8Confident51 Ų5165 Ų6536%0.35742%0.419SS..  trans-67.5146.7169.7-63.30000111.4G58 P59G58-S61 PolarHBondContact N-OG 2.85Å; G58-S61 VanDerWaalsContact O-CB 3.27Å; G58-S61 WeakPolarHBondContact O-CB 3.28Å; G58-S61 PolarHBondContact O-N 2.84Å; G58-S61 PolarHBondContact O-OG 2.88Å; P59-S61 VanDerWaalsContact C-N 3.32Å
62T87.1Confident81.6Confident63 Ų6369.6 Ų69.639%0.38744%0.435SS..  trans-108.1138.8178.7-46.90000110.1H40H40-T62 HydrophobicContact CB-CG2 4.42Å; H40-T62 WeakPolarHBondContact CB-O 3.41Å; H40-T62 PolarHBondContact N-O 3.31Å
63V88.5Confident81.8Confident42 Ų4272.7 Ų72.726%0.25546%0.455SS..EExtended strand (participates in β ladder)trans-117.9129.9175-178.50000108L37 A38 L46 L57L37-V63 HydrophobicContact CB-CG1 3.88Å; L37-V63 HydrophobicContact CD2-CG1 4.03Å; L37-V63 HydrophobicContact CG-CG1 4.45Å; A38-V63 CarbonylContact O-C 3.48Å; A38-V63 WeakPolarHBondContact O-CA 3.15Å; A38-V63 WeakPolarHBondContact O-CG1 3.23Å; L46-V63 HydrophobicContact CD1-CG1 4.05Å; L57-V63 HydrophobicContact CD1-CG2 3.9Å; L57-V63 HydrophobicContact CD2-CG2 3.61Å; L57-V63 HydrophobicContact CG-CG2 4.43Å
64L88.4Confident82.2Confident82 Ų8270.9 Ų70.943%0.42944%0.438SS..EExtended strand (participates in β ladder)trans-78.7120.1169.8-63.4173.9000108.6L37 A38 H40L37-L64 WeakPolarHBondContact CA-O 3.45Å; A38-L64 PolarHBondContact N-O 2.98Å; A38-L64 PolarHBondContact O-N 3.48Å; H40-L64 HydrophobicContact CB-CG 4.19Å
65L87.5Confident82.7Confident47 Ų4768.8 Ų68.825%0.24642%0.423CS..EExtended strand (participates in β ladder)trans-96.7116.6168.3171.364.9000109.1F7 I24 I28 Q35 L37 V67F7-L65 HydrophobicContact CE1-CD2 4.25Å; F7-L65 HydrophobicContact CZ-CD2 4.14Å; I24-L65 HydrophobicContact CG2-CD2 3.78Å; I28-L65 HydrophobicContact CD1-CD2 3.38Å; Q35-L65 HydrophobicContact CB-CD1 3.8Å; Q35-L65 HydrophobicContact CG-CD1 3.91Å; L37-L65 HydrophobicContact CD2-CB 4.07Å; L37-L65 HydrophobicContact CD2-CD1 3.59Å; L37-L65 HydrophobicContact CD2-CG 4.39Å; L65-V67 HydrophobicContact CD1-CG2 4.47Å; L65-V67 HydrophobicContact CD2-CG2 4.24Å; L65-V67 HydrophobicContact CG-CG2 4.16Å
66V85.7Confident83.3Confident82 Ų8267.1 Ų67.150%0.49742%0.416SS..EExtended strand (participates in β ladder)trans-104.3118.1167-177.10000107.3R36 D68R36-V66 HydrophobicContact CB-CB 4.22Å; R36-V66 WeakPolarHBondContact CB-O 3.36Å; R36-V66 PolarHBondContact N-O 2.65Å; R36-V66 PolarHBondContact O-N 3Å; V66-D68 PolarHBondContact O-N 3.13Å
67V84.8Confident84.2Confident62 Ų6266.4 Ų66.438%0.37640%0.398SS..EExtended strand (participates in β ladder)trans-84.3110.2174.9-178.60000108.4V30 L65 K69V30-V67 HydrophobicContact CG1-CB 4.49Å; V30-V67 HydrophobicContact CG1-CG1 3.71Å; V30-V67 HydrophobicContact CG1-CG2 4.11Å; V30-V67 HydrophobicContact CG2-CG1 4.28Å; V30-V67 HydrophobicContact CG2-CG2 4.15Å; L65-V67 HydrophobicContact CD1-CG2 4.47Å; L65-V67 HydrophobicContact CD2-CG2 4.24Å; L65-V67 HydrophobicContact CG-CG2 4.16Å; V67-K69 PolarHBondContact O-N 3.41Å
68D79.4Confident84.8Confident53 Ų5366.1 Ų66.128%0.28340%0.397SS..  trans-79.8108.9173.2-157-60.7000108.6Q34 V66 C70Q34-D68 WeakPolarHBondContact CB-O 3.48Å; Q34-D68 PolarHBondContact O-N 2.79Å; V66-D68 PolarHBondContact O-N 3.13Å; D68-C70 PolarHBondContact O-N 2.8Å; D68-C70 WeakPolarHBondContact OD1-CB 3.27Å; D68-C70 PolarHBondContact OD1-N 2.88Å; D68-C70 VanDerWaalsContact OD1-N 3.11Å; D68-C70 PolarHBondContact OD1-SG 2.9Å
69K68.9Low85.6Confident183 Ų18369.8 Ų69.880%0.79640%0.403SS*.  trans-81.845.2174.9-62.5-174.6-178.6-1780110.8V67 D71V67-K69 PolarHBondContact O-N 3.41Å; K69-D71 PolarHBondContact O-N 3.4Å
70C62.6Low86.1Confident65 Ų6563.4 Ų63.444%0.43936%0.361SS..  trans-66.174.9165.7-88.40000109.2D68 E72D68-C70 PolarHBondContact O-N 2.8Å; D68-C70 WeakPolarHBondContact OD1-CB 3.27Å; D68-C70 PolarHBondContact OD1-N 2.88Å; D68-C70 VanDerWaalsContact OD1-N 3.11Å; D68-C70 PolarHBondContact OD1-SG 2.9Å; C70-E72 VanDerWaalsContact C-N 3.33Å
71D70.2Confident86.4Confident68 Ų6863.8 Ų63.836%0.36434%0.344SS..  trans-10324.8167.3-163.7-116.9000110K69 R91 T93K69-D71 PolarHBondContact O-N 3.4Å; D71-R91 WeakPolarHBondContact OD1-CD 3.33Å; D71-R91 IonicContact OD1-NE 2.94Å; D71-T93 VanDerWaalsContact OD2-CG2 3.24Å; D71-T93 WeakPolarHBondContact OD2-CG2 3.45Å; D71-T93 PolarHBondContact OD2-OG1 2.84Å
72E81.8Confident86.6Confident156 Ų15669.9 Ų69.973%0.72936%0.364SS*.  trans-67.7138.7175.5-67.6-148.2101.300110.1C70 L74C70-E72 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 2.89Å
73P88.6Confident86.8Confident71 Ų7169.1 Ų69.146%0.46137%0.369SS..  trans-60.7134.4174.424.8-31.2000110.1E89P73-E89 HydrophobicContact CB-CG 3.75Å
74L91.3Very high87.1Confident16 Ų1675 Ų758%0.08439%0.386CS..EExtended strand (participates in β ladder)trans-118.6130.4-175.7150.270.7000107.8E72 I76 E89 V90 L92 L134 K135 P136E72-L74 PolarHBondContact O-N 2.89Å; L74-I76 HydrophobicContact CD1-CG2 3.99Å; L74-I76 HydrophobicContact CD2-CG2 3.83Å; L74-I76 HydrophobicContact CG-CG2 3.79Å; L74-E89 CarbonylContact O-C 3.54Å; L74-E89 WeakPolarHBondContact O-CA 3.26Å; L74-V90 HydrophobicContact CB-CG2 4.31Å; L74-V90 HydrophobicContact CD2-CG2 3.89Å; L74-V90 HydrophobicContact CG-CG2 3.91Å; L74-V90 PolarHBondContact N-O 2.67Å; L74-V90 WeakPolarHBondContact O-CG2 3.33Å; L74-V90 PolarHBondContact O-N 3.31Å; L74-L92 HydrophobicContact CD2-CD2 3.41Å; L74-L92 VanDerWaalsContact CD2-CD2 3.41Å; L74-L92 HydrophobicContact CD2-CG 4.18Å; L74-L134 HydrophobicContact CD2-CB 4.19Å; L74-K135 WeakPolarHBondContact CD1-O 3.4Å; L74-P136 HydrophobicContact CD1-CB 4.12Å; L74-P136 HydrophobicContact CD1-CG 3.89Å
75S94.9Very high87.5Confident49 Ų4973.4 Ų73.434%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-91.7119.4171.5-65.70000111Y88 L137S75-Y88 WeakPolarHBondContact CA-O 3.43Å; S75-L137 PolarHBondContact O-N 2.96Å
76I95.9Very high87.8Confident0 Ų072 Ų720%038%0.376CS..EExtended strand (participates in β ladder)trans-113.7164.3172.263.6171.8000111.2L74 T87 Y88 V90 L99 L134 V140L74-I76 HydrophobicContact CD1-CG2 3.99Å; L74-I76 HydrophobicContact CD2-CG2 3.83Å; L74-I76 HydrophobicContact CG-CG2 3.79Å; I76-T87 CarbonylContact O-C 3.52Å; I76-T87 WeakPolarHBondContact O-CA 3.48Å; I76-Y88 PolarHBondContact N-O 3.13Å; I76-Y88 PolarHBondContact O-N 2.89Å; I76-V90 HydrophobicContact CD1-CG1 3.95Å; I76-V90 HydrophobicContact CD1-CG2 3.92Å; I76-V90 HydrophobicContact CG1-CG1 4.15Å; I76-V90 HydrophobicContact CG1-CG2 3.92Å; I76-V90 HydrophobicContact CG2-CG2 4Å; I76-L99 HydrophobicContact CD1-CD1 4.14Å; I76-L99 HydrophobicContact CD1-CD2 3.71Å; I76-L134 HydrophobicContact CD1-CD1 4.28Å; I76-L134 HydrophobicContact CG2-CD1 4.49Å; I76-V140 HydrophobicContact CD1-CG2 4.22Å
77L96.7Very high88.3Confident41 Ų4172.4 Ų72.422%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-106129.6174.2-68.1160.2000109.2S86 L137 S138 T139 V140L77-S86 WeakPolarHBondContact CA-O 3.48Å; L77-L137 HydrophobicContact CD1-CB 4.47Å; L77-S138 PolarHBondContact N-O 3.13Å; L77-T139 CarbonylContact O-C 3.58Å; L77-T139 WeakPolarHBondContact O-CA 3.26Å; L77-V140 PolarHBondContact O-N 3.34Å
78V96.9Very high88.8Confident5 Ų569.5 Ų69.53%0.0336%0.361CS..EExtended strand (participates in β ladder)trans-108.8119.3167.6-176.80000108.4S85 S86 Y88 L99 V103 L116 V140 M142V78-S85 WeakPolarHBondContact O-CA 3.34Å; V78-S86 PolarHBondContact N-O 3.48Å; V78-S86 PolarHBondContact O-N 2.99Å; V78-Y88 HydrophobicContact CB-CD2 3.77Å; V78-Y88 HydrophobicContact CB-CE2 3.54Å; V78-Y88 HydrophobicContact CG2-CD2 3.48Å; V78-Y88 VanDerWaalsContact CG2-CD2 3.48Å; V78-Y88 HydrophobicContact CG2-CE2 3.72Å; V78-Y88 HydrophobicContact CG2-CG 4.01Å; V78-L99 HydrophobicContact CG2-CD1 4.34Å; V78-V103 HydrophobicContact CB-CG2 4.35Å; V78-V103 HydrophobicContact CG1-CG1 4.35Å; V78-V103 HydrophobicContact CG1-CG2 4.02Å; V78-V103 HydrophobicContact CG2-CG2 3.99Å; V78-L116 HydrophobicContact CG1-CD2 4.36Å; V78-V140 CarbonylContact C-O 3.59Å; V78-V140 VanDerWaalsContact CA-O 3.31Å; V78-V140 WeakPolarHBondContact CA-O 3.35Å; V78-V140 HydrophobicContact CG2-CB 4.38Å; V78-M142 HydrophobicContact CG1-CB 4.22Å
79R96.6Very high89.5Confident103 Ų10372.7 Ų72.739%0.38937%0.374SS..EExtended strand (participates in β ladder)trans-93.3121174.9-174.6175.8-67.5-176.7-1110.1R84 S85 T139 V140 F141 M142R79-R84 CarbonylContact C-O 3.53Å; R79-R84 WeakPolarHBondContact CA-O 3.36Å; R79-S85 PolarHBondContact NE-OG 3.35Å; R79-T139 HydrophobicContact CB-CG2 4.11Å; R79-V140 PolarHBondContact N-O 3.48Å; R79-F141 HydrophobicContact CB-CD1 4.13Å; R79-F141 HydrophobicContact CB-CE1 4.46Å; R79-F141 HydrophobicContact CG-CD1 4.43Å; R79-M142 PolarHBondContact O-N 2.91Å
80N93.6Very high90.7Very high10 Ų1064 Ų645%0.05334%0.337CS..  trans-80.5173.9177.574.36.2000112.9K82 G83 R84 E107 M142N80-K82 PolarHBondContact O-N 2.99Å; N80-K82 WeakPolarHBondContact OD1-CA 3.31Å; N80-K82 WeakPolarHBondContact OD1-CB 3.4Å; N80-K82 PolarHBondContact OD1-N 3.21Å; N80-G83 PolarHBondContact O-N 2.92Å; N80-G83 PolarHBondContact OD1-N 2.75Å; N80-G83 VanDerWaalsContact OD1-N 3.14Å; N80-R84 PolarHBondContact N-O 2.84Å; N80-R84 WeakPolarHBondContact OD1-CB 3.42Å; N80-R84 PolarHBondContact OD1-N 3.04Å; N80-R84 PolarHBondContact OD1-O 3.24Å; N80-E107 VanDerWaalsContact CB-OE2 3.28Å; N80-E107 WeakPolarHBondContact CB-OE2 3.49Å; N80-E107 PolarHBondContact ND2-OE2 2.94Å; N80-M142 HydrophobicContact CB-SD 4.2Å
81N89.1Confident92.1Very high91 Ų9165.9 Ų65.949%0.48733%0.334SS..THydrogen-bonded Turntrans-64.5-15.7177.871.6-30.5000114.1G83 L144N81-G83 VanDerWaalsContact C-N 3.31Å; N81-L144 HydrophobicContact CB-CD1 4.49Å; N81-L144 HydrophobicContact CB-CG 4.24Å; N81-L144 WeakPolarHBondContact ND2-CD1 3.22Å
82K90.8Very high93Very high178 Ų17864.3 Ų64.377%0.77433%0.326SS*.THydrogen-bonded Turntrans-88.11.4173.8-61.6174.9-177.9173.80112.4N80 R84N80-K82 PolarHBondContact O-N 2.99Å; N80-K82 WeakPolarHBondContact OD1-CA 3.31Å; N80-K82 WeakPolarHBondContact OD1-CB 3.4Å; N80-K82 PolarHBondContact OD1-N 3.21Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 2.92Å
83G91.4Very high93.3Very high48 Ų4858.9 Ų58.950%0.49530%0.304SS..SBendtrans79.23.3-17800000114.9N80 N81N80-G83 PolarHBondContact O-N 2.92Å; N80-G83 PolarHBondContact OD1-N 2.75Å; N80-G83 VanDerWaalsContact OD1-N 3.14Å; N81-G83 VanDerWaalsContact C-N 3.31Å
84R94.4Very high93.5Very high165 Ų16557.1 Ų57.162%0.62329%0.289SS*.  trans-80.6133.1175.6179.2179.8168.3-152.3-1.8109.6R79 N80 K82R79-R84 CarbonylContact C-O 3.53Å; R79-R84 WeakPolarHBondContact CA-O 3.36Å; N80-R84 PolarHBondContact N-O 2.84Å; N80-R84 WeakPolarHBondContact OD1-CB 3.42Å; N80-R84 PolarHBondContact OD1-N 3.04Å; N80-R84 PolarHBondContact OD1-O 3.24Å; K82-R84 VanDerWaalsContact C-N 3.28Å; K82-R84 PolarHBondContact O-N 2.92Å
85S95.6Very high93.6Very high48 Ų4859.1 Ų59.134%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-106129.2175.2-51.30000109.7V78 R79V78-S85 WeakPolarHBondContact O-CA 3.34Å; R79-S85 PolarHBondContact NE-OG 3.35Å
86S95.3Very high93.6Very high19 Ų1956.8 Ų56.813%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-118.9147.6176.4-65.60000109.5L77 V78 Y88L77-S86 WeakPolarHBondContact CA-O 3.48Å; V78-S86 PolarHBondContact N-O 3.48Å; V78-S86 PolarHBondContact O-N 2.99Å; S86-Y88 VanDerWaalsContact O-CD2 3.27Å; S86-Y88 WeakPolarHBondContact O-CD2 3.41Å; S86-Y88 WeakPolarHBondContact O-CE2 3.37Å
87T95.9Very high93.6Very high89 Ų8958.3 Ų58.355%0.54630%0.299SS..EExtended strand (participates in β ladder)trans-87.4134.6-179.6-51.70000110.7I76I76-T87 CarbonylContact O-C 3.52Å; I76-T87 WeakPolarHBondContact O-CA 3.48Å
88Y95Very high93.5Very high2 Ų260 Ų601%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-125.5124.5178.2-68.4-108.4000108.6S75 I76 V78 S86 L99 Q102 V103 L106S75-Y88 WeakPolarHBondContact CA-O 3.43Å; I76-Y88 PolarHBondContact N-O 3.13Å; I76-Y88 PolarHBondContact O-N 2.89Å; V78-Y88 HydrophobicContact CB-CD2 3.77Å; V78-Y88 HydrophobicContact CB-CE2 3.54Å; V78-Y88 HydrophobicContact CG2-CD2 3.48Å; V78-Y88 VanDerWaalsContact CG2-CD2 3.48Å; V78-Y88 HydrophobicContact CG2-CE2 3.72Å; V78-Y88 HydrophobicContact CG2-CG 4.01Å; S86-Y88 VanDerWaalsContact O-CD2 3.27Å; S86-Y88 WeakPolarHBondContact O-CD2 3.41Å; S86-Y88 WeakPolarHBondContact O-CE2 3.37Å; Y88-L99 HydrophobicContact CD1-CD1 4.08Å; Y88-L99 HydrophobicContact CG-CD1 4.3Å; Y88-Q102 HydrophobicContact CD1-CB 4.17Å; Y88-Q102 HydrophobicContact CD1-CG 3.67Å; Y88-Q102 HydrophobicContact CE1-CB 4.3Å; Y88-Q102 HydrophobicContact CE1-CG 3.9Å; Y88-V103 HydrophobicContact CD1-CG2 4.11Å; Y88-V103 HydrophobicContact CE1-CB 4.24Å; Y88-V103 HydrophobicContact CE1-CG2 3.56Å; Y88-V103 HydrophobicContact CE2-CG2 4.42Å; Y88-L106 HydrophobicContact CD1-CD1 4.4Å; Y88-L106 HydrophobicContact CE1-CD1 3.54Å
89E94.8Very high93.4Very high120 Ų12059.8 Ų59.856%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-81.2123.8167.4-168.4177.5106.200108.4P73 L74P73-E89 HydrophobicContact CB-CG 3.75Å; L74-E89 CarbonylContact O-C 3.54Å; L74-E89 WeakPolarHBondContact O-CA 3.26Å
90V93.4Very high93.3Very high1 Ų155.6 Ų55.61%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-136.4163.3-176.4-62.20000110.1L74 I76 L99 L129L74-V90 HydrophobicContact CB-CG2 4.31Å; L74-V90 HydrophobicContact CD2-CG2 3.89Å; L74-V90 HydrophobicContact CG-CG2 3.91Å; L74-V90 PolarHBondContact N-O 2.67Å; L74-V90 WeakPolarHBondContact O-CG2 3.33Å; L74-V90 PolarHBondContact O-N 3.31Å; I76-V90 HydrophobicContact CD1-CG1 3.95Å; I76-V90 HydrophobicContact CD1-CG2 3.92Å; I76-V90 HydrophobicContact CG1-CG1 4.15Å; I76-V90 HydrophobicContact CG1-CG2 3.92Å; I76-V90 HydrophobicContact CG2-CG2 4Å; V90-L99 HydrophobicContact CG1-CD1 3.81Å; V90-L129 HydrophobicContact CB-CD1 3.67Å; V90-L129 HydrophobicContact CG1-CD1 4Å; V90-L129 HydrophobicContact CG2-CD1 3.94Å
91R92.4Very high93.4Very high103 Ų10361.1 Ų61.139%0.38931%0.314SS..  trans-113.5144.9166.7-59.7-176.1177.9105.27.2109.5D71 T93 Q94D71-R91 WeakPolarHBondContact OD1-CD 3.33Å; D71-R91 IonicContact OD1-NE 2.94Å; R91-T93 WeakPolarHBondContact CB-OG1 3.43Å; R91-T93 PolarHBondContact O-N 3.29Å; R91-T93 VanDerWaalsContact O-N 3.13Å; R91-Q94 HydrophobicContact CB-CG 4.09Å; R91-Q94 WeakPolarHBondContact O-CB 3.24Å; R91-Q94 PolarHBondContact O-N 3.28Å
92L89.9Confident93.6Very high36 Ų3660 Ų6019%0.18831%0.306CS..THydrogen-bonded Turntrans-61.9-22.6177.9-65-177.4000112.8F33 L74 L129 G130 L134F33-L92 HydrophobicContact CD2-CB 4.19Å; F33-L92 HydrophobicContact CD2-CD1 4.19Å; F33-L92 HydrophobicContact CE2-CB 3.48Å; F33-L92 VanDerWaalsContact CE2-CB 3.48Å; F33-L92 HydrophobicContact CE2-CD1 4.18Å; F33-L92 HydrophobicContact CE2-CG 4.5Å; F33-L92 HydrophobicContact CZ-CB 3.74Å; F33-L92 WeakPolarHBondContact CZ-O 3.47Å; L74-L92 HydrophobicContact CD2-CD2 3.41Å; L74-L92 VanDerWaalsContact CD2-CD2 3.41Å; L74-L92 HydrophobicContact CD2-CG 4.18Å; L92-L129 PolarHBondContact O-N 3.37Å; L92-G130 PolarHBondContact O-N 3.17Å; L92-L134 HydrophobicContact CD2-CB 4.26Å
93T88.1Confident93.7Very high42 Ų4251.5 Ų51.526%0.25827%0.269SS..THydrogen-bonded Turntrans-76.6-19.4174.852.40000113.7F33 Q34 D71 R91F33-T93 HydrophobicContact CZ-CG2 4.02Å; Q34-T93 VanDerWaalsContact NE2-CG2 3.28Å; D71-T93 VanDerWaalsContact OD2-CG2 3.24Å; D71-T93 WeakPolarHBondContact OD2-CG2 3.45Å; D71-T93 PolarHBondContact OD2-OG1 2.84Å; R91-T93 WeakPolarHBondContact CB-OG1 3.43Å; R91-T93 PolarHBondContact O-N 3.29Å; R91-T93 VanDerWaalsContact O-N 3.13Å
94Q91.9Very high93.8Very high34 Ų3450.3 Ų50.316%0.15925%0.253CS..SBendtrans-72.3148.9177.3-72.7169.6-6.300110.8R91 H98 P128 L129R91-Q94 HydrophobicContact CB-CG 4.09Å; R91-Q94 WeakPolarHBondContact O-CB 3.24Å; R91-Q94 PolarHBondContact O-N 3.28Å; Q94-H98 HydrophobicContact CB-CB 4.38Å; Q94-H98 PolarHBondContact OE1-ND1 2.97Å; Q94-P128 CarbonylContact O-C 3.53Å; Q94-P128 VanDerWaalsContact O-CA 3.23Å; Q94-P128 WeakPolarHBondContact O-CA 3.45Å; Q94-L129 HydrophobicContact CB-CD1 4.37Å; Q94-L129 WeakPolarHBondContact O-CG 3.13Å; Q94-L129 PolarHBondContact O-N 2.79Å
95T93.6Very high93.7Very high57 Ų5745.6 Ų45.635%0.3526%0.255SS..BIsolated β-bridgetrans-76.5156.8175.558.20000111.9A97 H98 L99 L127T95-A97 PolarHBondContact O-N 2.78Å; T95-H98 WeakPolarHBondContact O-CB 3.45Å; T95-H98 PolarHBondContact O-N 2.98Å; T95-H98 VanDerWaalsContact O-N 3.09Å; T95-H98 PolarHBondContact OG1-N 2.85Å; T95-L99 PolarHBondContact O-N 3.36Å; T95-L127 WeakPolarHBondContact CA-O 3.4Å
96V95.2Very high93.5Very high0 Ų048.8 Ų48.80%027%0.268CS..Hα-helixtrans-59.1-35.7171.3172.30000111.1H98 L99 K100 L116 L123 E124 L127 L129 Y132V96-H98 VanDerWaalsContact C-N 3.27Å; V96-H98 PolarHBondContact O-N 3.45Å; V96-L99 PolarHBondContact O-N 2.85Å; V96-K100 HydrophobicContact CG1-CD 4.35Å; V96-K100 HydrophobicContact CG1-CG 4.44Å; V96-K100 PolarHBondContact O-N 3.26Å; V96-L116 HydrophobicContact CG1-CD1 4.47Å; V96-L123 HydrophobicContact CB-CB 4.36Å; V96-L123 HydrophobicContact CG1-CB 3.59Å; V96-L123 HydrophobicContact CG2-CB 3.8Å; V96-L123 HydrophobicContact CG2-CD1 4.4Å; V96-E124 VanDerWaalsContact CB-O 3.26Å; V96-E124 WeakPolarHBondContact CB-O 3.43Å; V96-E124 WeakPolarHBondContact CG2-O 3.4Å; V96-L127 WeakPolarHBondContact CG2-O 3.4Å; V96-L127 PolarHBondContact N-O 2.95Å; V96-L129 HydrophobicContact CG2-CD2 4Å; V96-Y132 HydrophobicContact CG2-CD2 4.34Å; V96-Y132 HydrophobicContact CG2-CE2 3.73Å
97A95.3Very high93.2Very high33 Ų3350 Ų5027%0.27327%0.272SS..Hα-helixtrans-56.3-41.2173.700000112.4T95 K100 Q101 D125T95-A97 PolarHBondContact O-N 2.78Å; A97-K100 PolarHBondContact O-N 3.27Å; A97-Q101 WeakPolarHBondContact O-CG 3.22Å; A97-Q101 PolarHBondContact O-N 3.15Å; A97-D125 HydrophobicContact CB-CB 4.19Å; A97-D125 WeakPolarHBondContact CB-O 3.4Å; A97-D125 PolarHBondContact N-O 3.23Å; A97-D125 VanDerWaalsContact N-O 3.1Å
98H94.8Very high92.9Very high76 Ų7649.1 Ų49.135%0.35228%0.28SS..Hα-helixtrans-64.1-44.4177.1-173.5-86.4000111.7Q94 T95 V96 K100 Q101 Q102Q94-H98 HydrophobicContact CB-CB 4.38Å; Q94-H98 PolarHBondContact OE1-ND1 2.97Å; T95-H98 WeakPolarHBondContact O-CB 3.45Å; T95-H98 PolarHBondContact O-N 2.98Å; T95-H98 VanDerWaalsContact O-N 3.09Å; T95-H98 PolarHBondContact OG1-N 2.85Å; V96-H98 VanDerWaalsContact C-N 3.27Å; V96-H98 PolarHBondContact O-N 3.45Å; H98-K100 VanDerWaalsContact C-N 3.35Å; H98-K100 PolarHBondContact O-N 3.29Å; H98-Q101 PolarHBondContact O-N 2.9Å; H98-Q102 PolarHBondContact O-N 3.36Å
99L95Very high92.7Very high0 Ų050.9 Ų50.90%029%0.291CS..Hα-helixtrans-61.3-42.6174175.457.5000111.7I76 V78 Y88 V90 T95 V96 Q101 Q102 V103 L116 L129I76-L99 HydrophobicContact CD1-CD1 4.14Å; I76-L99 HydrophobicContact CD1-CD2 3.71Å; V78-L99 HydrophobicContact CG2-CD1 4.34Å; Y88-L99 HydrophobicContact CD1-CD1 4.08Å; Y88-L99 HydrophobicContact CG-CD1 4.3Å; V90-L99 HydrophobicContact CG1-CD1 3.81Å; T95-L99 PolarHBondContact O-N 3.36Å; V96-L99 PolarHBondContact O-N 2.85Å; L99-Q101 VanDerWaalsContact C-N 3.33Å; L99-Q101 PolarHBondContact O-N 2.81Å; L99-Q102 WeakPolarHBondContact O-CB 3.38Å; L99-Q102 PolarHBondContact O-N 3.06Å; L99-Q102 VanDerWaalsContact O-N 3.17Å; L99-V103 HydrophobicContact CD1-CG2 4.07Å; L99-V103 HydrophobicContact CG-CG2 4.39Å; L99-V103 WeakPolarHBondContact O-CG2 3.36Å; L99-V103 PolarHBondContact O-N 2.79Å; L99-L116 HydrophobicContact CD2-CD1 3.79Å; L99-L116 HydrophobicContact CG-CD1 3.84Å; L99-L129 HydrophobicContact CB-CD1 4.35Å; L99-L129 HydrophobicContact CB-CD2 4.25Å; L99-L129 HydrophobicContact CD2-CD1 4.38Å; L99-L129 HydrophobicContact CD2-CD2 3.66Å
100K94.5Very high92.5Very high15 Ų1550.8 Ų50.87%0.06529%0.291CS..Hα-helixtrans-61.2-39.9176.4-75.9177.271.9-1660112.3V96 A97 H98 Q102 V103 S104 D111 F114 L116 D125V96-K100 HydrophobicContact CG1-CD 4.35Å; V96-K100 HydrophobicContact CG1-CG 4.44Å; V96-K100 PolarHBondContact O-N 3.26Å; A97-K100 PolarHBondContact O-N 3.27Å; H98-K100 VanDerWaalsContact C-N 3.35Å; H98-K100 PolarHBondContact O-N 3.29Å; K100-Q102 VanDerWaalsContact C-N 3.31Å; K100-Q102 PolarHBondContact O-N 2.74Å; K100-V103 PolarHBondContact O-N 3.43Å; K100-S104 WeakPolarHBondContact O-CB 3.48Å; K100-S104 PolarHBondContact O-N 2.81Å; K100-D111 HydrophobicContact CB-CB 4.39Å; K100-D111 WeakPolarHBondContact CE-O 3.47Å; K100-D111 PolarHBondContact NZ-O 3.06Å; K100-F114 HydrophobicContact CB-CE2 4.16Å; K100-F114 HydrophobicContact CB-CZ 4.06Å; K100-F114 WeakPolarHBondContact CE-O 3.41Å; K100-F114 HydrophobicContact CG-CE2 3.85Å; K100-F114 HydrophobicContact CG-CZ 4.25Å; K100-F114 WeakPolarHBondContact O-CZ 3.37Å; K100-L116 HydrophobicContact CG-CD1 3.67Å; K100-L116 HydrophobicContact CG-CG 3.98Å; K100-D125 WeakPolarHBondContact CD-OD1 3.44Å; K100-D125 IonicContact NZ-OD1 3.76Å; K100-D125 PolarHBondContact NZ-OD1 3.01Å; K100-D125 IonicContact NZ-OD2 3.59Å
101Q94.6Very high92.4Very high127 Ų12754.2 Ų54.259%0.59331%0.309SS*.Hα-helixtrans-60.6-42.1174.7-73.9179.7-13.600111.7A97 H98 L99 S104 G105A97-Q101 WeakPolarHBondContact O-CG 3.22Å; A97-Q101 PolarHBondContact O-N 3.15Å; H98-Q101 PolarHBondContact O-N 2.9Å; L99-Q101 VanDerWaalsContact C-N 3.33Å; L99-Q101 PolarHBondContact O-N 2.81Å; Q101-S104 WeakPolarHBondContact O-CB 3.46Å; Q101-S104 PolarHBondContact O-N 3.38Å; Q101-G105 PolarHBondContact O-N 3.11Å
102Q94.1Very high92.3Very high66 Ų6652 Ų5231%0.30831%0.305SS..Hα-helixtrans-64.1-43.1176.6-165168.6-54.800112Y88 H98 L99 K100 G105 L106Y88-Q102 HydrophobicContact CD1-CB 4.17Å; Y88-Q102 HydrophobicContact CD1-CG 3.67Å; Y88-Q102 HydrophobicContact CE1-CB 4.3Å; Y88-Q102 HydrophobicContact CE1-CG 3.9Å; H98-Q102 PolarHBondContact O-N 3.36Å; L99-Q102 WeakPolarHBondContact O-CB 3.38Å; L99-Q102 PolarHBondContact O-N 3.06Å; L99-Q102 VanDerWaalsContact O-N 3.17Å; K100-Q102 VanDerWaalsContact C-N 3.31Å; K100-Q102 PolarHBondContact O-N 2.74Å; Q102-G105 PolarHBondContact O-N 2.95Å; Q102-L106 PolarHBondContact O-N 3.5Å
103V93.5Very high92.4Very high0 Ų052.2 Ų52.20%031%0.306CS..Hα-helixtrans-65.7-41.4176175.60000111V78 Y88 L99 K100 G105 L106 E107 F114 M142V78-V103 HydrophobicContact CB-CG2 4.35Å; V78-V103 HydrophobicContact CG1-CG1 4.35Å; V78-V103 HydrophobicContact CG1-CG2 4.02Å; V78-V103 HydrophobicContact CG2-CG2 3.99Å; Y88-V103 HydrophobicContact CD1-CG2 4.11Å; Y88-V103 HydrophobicContact CE1-CB 4.24Å; Y88-V103 HydrophobicContact CE1-CG2 3.56Å; Y88-V103 HydrophobicContact CE2-CG2 4.42Å; L99-V103 HydrophobicContact CD1-CG2 4.07Å; L99-V103 HydrophobicContact CG-CG2 4.39Å; L99-V103 WeakPolarHBondContact O-CG2 3.36Å; L99-V103 PolarHBondContact O-N 2.79Å; K100-V103 PolarHBondContact O-N 3.43Å; V103-G105 PolarHBondContact O-N 3.44Å; V103-L106 PolarHBondContact O-N 3.14Å; V103-E107 HydrophobicContact CG1-CG 4.03Å; V103-E107 WeakPolarHBondContact O-CB 3.39Å; V103-E107 WeakPolarHBondContact O-CG 3.34Å; V103-E107 PolarHBondContact O-N 3.29Å; V103-F114 HydrophobicContact CB-CE2 4.21Å; V103-F114 HydrophobicContact CB-CZ 4.02Å; V103-F114 HydrophobicContact CG1-CE2 3.91Å; V103-F114 HydrophobicContact CG1-CZ 3.89Å; V103-M142 HydrophobicContact CG1-CE 4.49Å; V103-M142 HydrophobicContact CG1-SD 4.02Å
104S93.3Very high92.7Very high24 Ų2450.5 Ų50.517%0.16830%0.295CS..Hα-helixtrans-59.2-45.3177.7177.70000111.6K100 Q101 L106 G108 V109K100-S104 WeakPolarHBondContact O-CB 3.48Å; K100-S104 PolarHBondContact O-N 2.81Å; Q101-S104 WeakPolarHBondContact O-CB 3.46Å; Q101-S104 PolarHBondContact O-N 3.38Å; S104-L106 PolarHBondContact O-N 3.23Å; S104-G108 WeakPolarHBondContact O-CA 3.42Å; S104-G108 PolarHBondContact O-N 3.44Å; S104-V109 VanDerWaalsContact CA-O 3.29Å; S104-V109 WeakPolarHBondContact CA-O 3.39Å; S104-V109 WeakPolarHBondContact CB-O 3.44Å; S104-V109 PolarHBondContact O-N 3.37Å; S104-V109 PolarHBondContact OG-O 3.35Å
105G92.2Very high92.8Very high65 Ų6554 Ų5467%0.6731%0.307SS*.Hα-helixtrans-64-37.2177.600000113.7Q101 Q102 V103Q101-G105 PolarHBondContact O-N 3.11Å; Q102-G105 PolarHBondContact O-N 2.95Å; V103-G105 PolarHBondContact O-N 3.44Å
106L90.1Very high92.9Very high115 Ų11551.4 Ų51.460%0.60229%0.291SS*.Hα-helixtrans-81.3-38.6179.9-80.1173.1000113.7Y88 Q102 V103 S104Y88-L106 HydrophobicContact CD1-CD1 4.4Å; Y88-L106 HydrophobicContact CE1-CD1 3.54Å; Q102-L106 PolarHBondContact O-N 3.5Å; V103-L106 PolarHBondContact O-N 3.14Å; S104-L106 PolarHBondContact O-N 3.23Å
107E90.2Very high93Very high46 Ų4652.1 Ų52.122%0.21530%0.295CS..Hα-helixtrans-86.4-16.4-179.2-65.2-67.1126.800112.6N80 V103 V109 M142N80-E107 VanDerWaalsContact CB-OE2 3.28Å; N80-E107 WeakPolarHBondContact CB-OE2 3.49Å; N80-E107 PolarHBondContact ND2-OE2 2.94Å; V103-E107 HydrophobicContact CG1-CG 4.03Å; V103-E107 WeakPolarHBondContact O-CB 3.39Å; V103-E107 WeakPolarHBondContact O-CG 3.34Å; V103-E107 PolarHBondContact O-N 3.29Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 HydrophobicContact CB-CG2 4.33Å; E107-M142 HydrophobicContact CB-CE 4.29Å; E107-M142 HydrophobicContact CB-SD 4.49Å; E107-M142 HydrophobicContact CG-CE 4.45Å; E107-M142 HydrophobicContact CG-SD 4.02Å
108G89.8Confident93Very high70 Ų7051.4 Ų51.472%0.72229%0.286SS*.THydrogen-bonded Turntrans70.925.3-177.900000113.6S104S104-G108 WeakPolarHBondContact O-CA 3.42Å; S104-G108 PolarHBondContact O-N 3.44Å
109V89.7Confident92.9Very high39 Ų3955.2 Ų55.224%0.23630%0.304CS..  trans-115131.8-179-177.80000108.7S104 E107 L113 F114 M142 L144S104-V109 VanDerWaalsContact CA-O 3.29Å; S104-V109 WeakPolarHBondContact CA-O 3.39Å; S104-V109 WeakPolarHBondContact CB-O 3.44Å; S104-V109 PolarHBondContact O-N 3.37Å; S104-V109 PolarHBondContact OG-O 3.35Å; E107-V109 VanDerWaalsContact C-N 3.31Å; E107-V109 HydrophobicContact CB-CG2 4.33Å; V109-L113 HydrophobicContact CG1-CB 3.81Å; V109-L113 HydrophobicContact CG1-CD1 4.37Å; V109-F114 HydrophobicContact CB-CD1 4.36Å; V109-F114 HydrophobicContact CG1-CD1 3.99Å; V109-M142 HydrophobicContact CB-CE 4.01Å; V109-M142 HydrophobicContact CG1-CE 4.24Å; V109-M142 HydrophobicContact CG2-CE 4.16Å; V109-L144 HydrophobicContact CG1-CD2 4.24Å
110Q90.8Very high92.7Very high118 Ų11858.7 Ų58.755%0.55134%0.34SS*.  trans-58.9142.3177.5-59-174.9-84.200111.2D112 L113 F114Q110-D112 WeakPolarHBondContact CB-OD1 3.34Å; Q110-D112 PolarHBondContact O-N 3.35Å; Q110-L113 HydrophobicContact CB-CD1 3.92Å; Q110-L113 HydrophobicContact CB-CG 4.06Å; Q110-L113 HydrophobicContact CG-CD1 4.27Å; Q110-L113 WeakPolarHBondContact O-CB 3.46Å; Q110-L113 PolarHBondContact O-N 3.08Å; Q110-F114 VanDerWaalsContact O-CD1 3.26Å; Q110-F114 WeakPolarHBondContact O-CD1 3.36Å
111D91.3Very high92.6Very high73 Ų7364.7 Ų64.739%0.3937%0.366SS..G310 helixtrans-64.6-19.7-174.962.8-83.3000114.4K100 L113 F114K100-D111 HydrophobicContact CB-CB 4.39Å; K100-D111 WeakPolarHBondContact CE-O 3.47Å; K100-D111 PolarHBondContact NZ-O 3.06Å; D111-L113 VanDerWaalsContact C-N 3.34Å; D111-F114 HydrophobicContact CB-CE1 4.36Å; D111-F114 VanDerWaalsContact O-O 3.13Å
112D90.4Very high92.6Very high56 Ų5662.3 Ų62.330%0.29936%0.362SS..G310 helixtrans-79.6-18.5174.277.9-86.6000113.2Q110 F114 R147Q110-D112 WeakPolarHBondContact CB-OD1 3.34Å; Q110-D112 PolarHBondContact O-N 3.35Å; D112-F114 VanDerWaalsContact C-N 3.35Å; D112-R147 IonicContact OD2-CZ 3.76Å; D112-R147 IonicContact OD2-NH2 2.63Å; D112-R147 PolarHBondContact OD2-NH2 3Å
113L92Very high92.7Very high41 Ų4159.8 Ų59.822%0.21535%0.35CS..G310 helixtrans-88.80.3-177.4-63177.4000113.2V109 Q110 D111 R145 R147V109-L113 HydrophobicContact CG1-CB 3.81Å; V109-L113 HydrophobicContact CG1-CD1 4.37Å; Q110-L113 HydrophobicContact CB-CD1 3.92Å; Q110-L113 HydrophobicContact CB-CG 4.06Å; Q110-L113 HydrophobicContact CG-CD1 4.27Å; Q110-L113 WeakPolarHBondContact O-CB 3.46Å; Q110-L113 PolarHBondContact O-N 3.08Å; D111-L113 VanDerWaalsContact C-N 3.34Å; L113-R145 WeakPolarHBondContact O-CB 3.29Å; L113-R145 PolarHBondContact O-N 3.17Å; L113-R147 VanDerWaalsContact CD2-NE 3.26Å
114F93.9Very high92.7Very high5 Ų565.5 Ų65.52%0.02238%0.377CS..EExtended strand (participates in β ladder)trans-148164.8174.972.5-89.7000112.3K100 V103 V109 Q110 D111 D112 L116 M142 N143 L144K100-F114 HydrophobicContact CB-CE2 4.16Å; K100-F114 HydrophobicContact CB-CZ 4.06Å; K100-F114 WeakPolarHBondContact CE-O 3.41Å; K100-F114 HydrophobicContact CG-CE2 3.85Å; K100-F114 HydrophobicContact CG-CZ 4.25Å; K100-F114 WeakPolarHBondContact O-CZ 3.37Å; V103-F114 HydrophobicContact CB-CE2 4.21Å; V103-F114 HydrophobicContact CB-CZ 4.02Å; V103-F114 HydrophobicContact CG1-CE2 3.91Å; V103-F114 HydrophobicContact CG1-CZ 3.89Å; V109-F114 HydrophobicContact CB-CD1 4.36Å; V109-F114 HydrophobicContact CG1-CD1 3.99Å; Q110-F114 VanDerWaalsContact O-CD1 3.26Å; Q110-F114 WeakPolarHBondContact O-CD1 3.36Å; D111-F114 HydrophobicContact CB-CE1 4.36Å; D111-F114 VanDerWaalsContact O-O 3.13Å; D112-F114 VanDerWaalsContact C-N 3.35Å; F114-L116 HydrophobicContact CD2-CD2 4.13Å; F114-L116 HydrophobicContact CE2-CD2 3.94Å; F114-L116 HydrophobicContact CE2-CG 4.26Å; F114-M142 HydrophobicContact CB-CE 3.74Å; F114-M142 HydrophobicContact CB-CG 4.07Å; F114-M142 HydrophobicContact CD1-CE 3.58Å; F114-M142 HydrophobicContact CD2-CE 3.95Å; F114-M142 HydrophobicContact CD2-CG 3.65Å; F114-M142 HydrophobicContact CE1-CE 4.07Å; F114-M142 HydrophobicContact CE2-CE 4.41Å; F114-M142 HydrophobicContact CE2-CG 4.3Å; F114-M142 HydrophobicContact CG-CE 3.49Å; F114-M142 VanDerWaalsContact CG-CE 3.49Å; F114-M142 HydrophobicContact CG-CG 4Å; F114-M142 HydrophobicContact CZ-CE 4.47Å; F114-N143 CarbonylContact C-O 3.53Å; F114-N143 WeakPolarHBondContact CA-O 3.18Å; F114-N143 VanDerWaalsContact CB-O 3.26Å; F114-N143 WeakPolarHBondContact CB-O 3.46Å; F114-L144 HydrophobicContact CB-CD2 4.11Å
115W94.5Very high92.7Very high109 Ų10967.8 Ų67.841%0.41339%0.387SS..EExtended strand (participates in β ladder)trans-138.7155.9174.161.4-72.8000109.7T117 P122 N143W115-T117 HydrophobicContact CD2-CG2 4.47Å; W115-T117 HydrophobicContact CE3-CG2 3.5Å; W115-T117 HydrophobicContact CH2-CG2 3.34Å; W115-T117 HydrophobicContact CZ2-CG2 4.31Å; W115-T117 HydrophobicContact CZ3-CG2 2.89Å; W115-P122 HydrophobicContact CE3-CB 3.9Å; W115-P122 HydrophobicContact CZ3-CB 3.72Å; W115-N143 VanDerWaalsContact CD1-O 3.28Å; W115-N143 HydrophobicContact CD2-CB 4.06Å; W115-N143 VanDerWaalsContact CE2-CB 3.44Å; W115-N143 HydrophobicContact CG-CB 4.25Å; W115-N143 HydrophobicContact CZ2-CB 3.8Å; W115-N143 PolarHBondContact N-O 2.84Å; W115-N143 VanDerWaalsContact NE1-CB 3.3Å; W115-N143 PolarHBondContact O-N 3.4Å
116L95.9Very high92.6Very high1 Ų173.5 Ų73.51%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-104.4144.6-176.1-61.8179.1000110.3V78 V96 L99 K100 F114 L123 V140 F141 M142V78-L116 HydrophobicContact CG1-CD2 4.36Å; V96-L116 HydrophobicContact CG1-CD1 4.47Å; L99-L116 HydrophobicContact CD2-CD1 3.79Å; L99-L116 HydrophobicContact CG-CD1 3.84Å; K100-L116 HydrophobicContact CG-CD1 3.67Å; K100-L116 HydrophobicContact CG-CG 3.98Å; F114-L116 HydrophobicContact CD2-CD2 4.13Å; F114-L116 HydrophobicContact CE2-CD2 3.94Å; F114-L116 HydrophobicContact CE2-CG 4.26Å; L116-L123 HydrophobicContact CB-CB 4.14Å; L116-L123 HydrophobicContact CB-CD1 3.78Å; L116-L123 HydrophobicContact CB-CG 4.05Å; L116-L123 HydrophobicContact CD1-CD1 4.46Å; L116-L123 PolarHBondContact O-N 3.34Å; L116-V140 HydrophobicContact CB-CG1 3.8Å; L116-V140 HydrophobicContact CD1-CG1 4.34Å; L116-V140 HydrophobicContact CD2-CG1 4.14Å; L116-V140 HydrophobicContact CG-CG1 4.31Å; L116-F141 CarbonylContact C-O 3.57Å; L116-F141 WeakPolarHBondContact CA-O 3.08Å; L116-M142 HydrophobicContact CD2-CB 4.03Å; L116-M142 HydrophobicContact CD2-CG 4.44Å
117T96.2Very high92.7Very high15 Ų1571 Ų719%0.09238%0.383CS..EExtended strand (participates in β ladder)trans-128.2146.417248.50000112.7W115 K121 V140 F141 N143W115-T117 HydrophobicContact CD2-CG2 4.47Å; W115-T117 HydrophobicContact CE3-CG2 3.5Å; W115-T117 HydrophobicContact CH2-CG2 3.34Å; W115-T117 HydrophobicContact CZ2-CG2 4.31Å; W115-T117 HydrophobicContact CZ3-CG2 2.89Å; T117-K121 VanDerWaalsContact CA-O 3.26Å; T117-K121 WeakPolarHBondContact CA-O 3.35Å; T117-V140 CarbonylContact O-C 3.53Å; T117-V140 WeakPolarHBondContact O-CA 3.4Å; T117-V140 WeakPolarHBondContact O-CG1 3.42Å; T117-F141 PolarHBondContact N-O 3.08Å; T117-F141 PolarHBondContact O-N 2.95Å; T117-F141 WeakPolarHBondContact OG1-CB 3.48Å; T117-F141 PolarHBondContact OG1-O 3.38Å; T117-N143 PolarHBondContact OG1-ND2 3.21Å
118F96.2Very high92.7Very high19 Ų1969.1 Ų69.18%0.08338%0.375CS..EExtended strand (participates in β ladder)trans-136.4131.5170.3-178.9-113.6000109.5G120 K121 L123 Y132 L134 T139 V140F118-G120 PolarHBondContact O-N 3.29Å; F118-K121 PolarHBondContact N-O 3.37Å; F118-K121 PolarHBondContact O-N 3.4Å; F118-L123 HydrophobicContact CB-CD2 3.94Å; F118-Y132 WeakPolarHBondContact CE1-O 3.43Å; F118-L134 HydrophobicContact CB-CD2 4.29Å; F118-L134 HydrophobicContact CD1-CD2 3.73Å; F118-L134 HydrophobicContact CD2-CD2 3.68Å; F118-L134 HydrophobicContact CE1-CD2 3.92Å; F118-L134 HydrophobicContact CE2-CD2 3.89Å; F118-L134 HydrophobicContact CG-CD2 3.61Å; F118-L134 HydrophobicContact CZ-CD2 4Å; F118-T139 WeakPolarHBondContact CD2-O 3.47Å; F118-V140 HydrophobicContact CD2-CG2 4.36Å
119E93.5Very high92.8Very high155 Ų15565.8 Ų65.872%0.72434%0.341SS*.THydrogen-bonded Turntrans48.337.1-177.8-62.4-170.9122.100114K121E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 2.58Å
120G90.2Very high92.7Very high74 Ų7464.3 Ų64.376%0.76333%0.333SS*.THydrogen-bonded Turntrans77.91-178.800000115.3F118F118-G120 PolarHBondContact O-N 3.29Å
121K93.1Very high92.6Very high141 Ų14162.9 Ų62.961%0.61333%0.327SS*.EExtended strand (participates in β ladder)trans-99.9134.7177-62.8178.9-178.2175.20111.3T117 F118 E119T117-K121 VanDerWaalsContact CA-O 3.26Å; T117-K121 WeakPolarHBondContact CA-O 3.35Å; F118-K121 PolarHBondContact N-O 3.37Å; F118-K121 PolarHBondContact O-N 3.4Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 2.58Å
122P94.4Very high92.5Very high77 Ų7761.1 Ų61.150%0.532%0.315SS..EExtended strand (participates in β ladder)trans-63.7139.8169.926.1-31.8000110.4W115W115-P122 HydrophobicContact CE3-CB 3.9Å; W115-P122 HydrophobicContact CZ3-CB 3.72Å
123L94.8Very high92.4Very high12 Ų1260.6 Ų60.66%0.06332%0.323CS..PPolyproline II helixtrans-88.3132169.9-54-169.3000109.5V96 L116 F118 Y132 V140V96-L123 HydrophobicContact CB-CB 4.36Å; V96-L123 HydrophobicContact CG1-CB 3.59Å; V96-L123 HydrophobicContact CG2-CB 3.8Å; V96-L123 HydrophobicContact CG2-CD1 4.4Å; L116-L123 HydrophobicContact CB-CB 4.14Å; L116-L123 HydrophobicContact CB-CD1 3.78Å; L116-L123 HydrophobicContact CB-CG 4.05Å; L116-L123 HydrophobicContact CD1-CD1 4.46Å; L116-L123 PolarHBondContact O-N 3.34Å; F118-L123 HydrophobicContact CB-CD2 3.94Å; L123-Y132 HydrophobicContact CB-CE2 4.38Å; L123-Y132 HydrophobicContact CD2-CD1 3.25Å; L123-Y132 HydrophobicContact CD2-CD2 3.7Å; L123-Y132 HydrophobicContact CD2-CE1 3.46Å; L123-Y132 VanDerWaalsContact CD2-CE1 3.46Å; L123-Y132 HydrophobicContact CD2-CE2 3.88Å; L123-Y132 HydrophobicContact CD2-CG 3.37Å; L123-V140 HydrophobicContact CD1-CG1 3.94Å
124E94.4Very high92.3Very high120 Ų12059.1 Ų59.156%0.56132%0.315SS*.PPolyproline II helixtrans-97.1128-177.8-63179.17400109.9V96 Q126 L127 Y132V96-E124 VanDerWaalsContact CB-O 3.26Å; V96-E124 WeakPolarHBondContact CB-O 3.43Å; V96-E124 WeakPolarHBondContact CG2-O 3.4Å; E124-Q126 PolarHBondContact O-N 2.84Å; E124-L127 HydrophobicContact CB-CB 4.44Å; E124-L127 HydrophobicContact CB-CD1 4.08Å; E124-L127 HydrophobicContact CB-CG 4.11Å; E124-L127 HydrophobicContact CG-CD1 4.42Å; E124-L127 PolarHBondContact O-N 2.9Å; E124-L127 WeakPolarHBondContact OE2-CD1 3.38Å; E124-Y132 WeakPolarHBondContact CB-OH 3.44Å; E124-Y132 PolarHBondContact N-OH 3.19Å
125D92.9Very high92.1Very high73 Ų7365.7 Ų65.739%0.3934%0.344SS..THydrogen-bonded Turntrans-53.8-33.2-171.4-64.9-62.4000114.1A97 K100A97-D125 HydrophobicContact CB-CB 4.19Å; A97-D125 WeakPolarHBondContact CB-O 3.4Å; A97-D125 PolarHBondContact N-O 3.23Å; A97-D125 VanDerWaalsContact N-O 3.1Å; K100-D125 WeakPolarHBondContact CD-OD1 3.44Å; K100-D125 IonicContact NZ-OD1 3.76Å; K100-D125 PolarHBondContact NZ-OD1 3.01Å; K100-D125 IonicContact NZ-OD2 3.59Å
126Q90.4Very high92Very high184 Ų18465.4 Ų65.486%0.8636%0.356SS*.THydrogen-bonded Turntrans-84.9-14.2-175.9-57.2-174.124.900113.6E124E124-Q126 PolarHBondContact O-N 2.84Å
127L90.9Very high91.8Very high63 Ų6371 Ų7133%0.3339%0.386SS..SBendtrans-90.7146-177.8-65.9-176.5000111.1T95 V96 E124 Y132T95-L127 WeakPolarHBondContact CA-O 3.4Å; V96-L127 WeakPolarHBondContact CG2-O 3.4Å; V96-L127 PolarHBondContact N-O 2.95Å; E124-L127 HydrophobicContact CB-CB 4.44Å; E124-L127 HydrophobicContact CB-CD1 4.08Å; E124-L127 HydrophobicContact CB-CG 4.11Å; E124-L127 HydrophobicContact CG-CD1 4.42Å; E124-L127 PolarHBondContact O-N 2.9Å; E124-L127 WeakPolarHBondContact OE2-CD1 3.38Å; L127-Y132 HydrophobicContact CB-CE2 4.03Å; L127-Y132 WeakPolarHBondContact CD1-OH 3.27Å
128P91.4Very high91.7Very high7 Ų771.1 Ų71.15%0.04539%0.387CS..BIsolated β-bridgetrans-75.4151.3174.231.5-32000111.1F33 Q94 G130 E131F33-P128 HydrophobicContact CE1-CG 4.47Å; Q94-P128 CarbonylContact O-C 3.53Å; Q94-P128 VanDerWaalsContact O-CA 3.23Å; Q94-P128 WeakPolarHBondContact O-CA 3.45Å; P128-G130 PolarHBondContact O-N 3Å; P128-G130 VanDerWaalsContact O-N 3.15Å; P128-E131 HydrophobicContact CG-CG 3.79Å; P128-E131 PolarHBondContact O-N 2.94Å; P128-E131 VanDerWaalsContact O-N 3.13Å
129L91.8Very high91.7Very high0 Ų072.1 Ų72.10%039%0.394CS..G310 helixtrans-58.2-29.6-177.4-70.1176.1000113.2V90 L92 Q94 V96 L99 E131 Y132 L134V90-L129 HydrophobicContact CB-CD1 3.67Å; V90-L129 HydrophobicContact CG1-CD1 4Å; V90-L129 HydrophobicContact CG2-CD1 3.94Å; L92-L129 PolarHBondContact O-N 3.37Å; Q94-L129 HydrophobicContact CB-CD1 4.37Å; Q94-L129 WeakPolarHBondContact O-CG 3.13Å; Q94-L129 PolarHBondContact O-N 2.79Å; V96-L129 HydrophobicContact CG2-CD2 4Å; L99-L129 HydrophobicContact CB-CD1 4.35Å; L99-L129 HydrophobicContact CB-CD2 4.25Å; L99-L129 HydrophobicContact CD2-CD1 4.38Å; L99-L129 HydrophobicContact CD2-CD2 3.66Å; L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.26Å; L129-Y132 PolarHBondContact O-N 2.76Å; L129-L134 HydrophobicContact CB-CD1 3.94Å; L129-L134 HydrophobicContact CD2-CD1 3.83Å; L129-L134 HydrophobicContact CG-CD1 4.32Å
130G88.6Confident91.9Very high8 Ų864.7 Ų64.78%0.08236%0.36CS..G310 helixtrans-62.3-27.617700000115.3L92 P128 Y132 G133L92-G130 PolarHBondContact O-N 3.17Å; P128-G130 PolarHBondContact O-N 3Å; P128-G130 VanDerWaalsContact O-N 3.15Å; G130-Y132 PolarHBondContact O-N 2.93Å; G130-G133 PolarHBondContact O-N 3.03Å; G130-G133 VanDerWaalsContact O-N 3.17Å
131E87.9Confident92.1Very high88 Ų8865.2 Ų65.241%0.41134%0.341SS..G310 helixtrans-68.6-23.1179.3-66.1-66119.500112.1P128 L129 G133P128-E131 HydrophobicContact CG-CG 3.79Å; P128-E131 PolarHBondContact O-N 2.94Å; P128-E131 VanDerWaalsContact O-N 3.13Å; L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.26Å; E131-G133 VanDerWaalsContact C-N 3.33Å
132Y89.9Confident92.3Very high35 Ų3558.8 Ų58.814%0.13731%0.313CS..G310 helixtrans-87.6-1.6178-61.3-79.2000113.4V96 F118 L123 E124 L127 L129 G130 L134V96-Y132 HydrophobicContact CG2-CD2 4.34Å; V96-Y132 HydrophobicContact CG2-CE2 3.73Å; F118-Y132 WeakPolarHBondContact CE1-O 3.43Å; L123-Y132 HydrophobicContact CB-CE2 4.38Å; L123-Y132 HydrophobicContact CD2-CD1 3.25Å; L123-Y132 HydrophobicContact CD2-CD2 3.7Å; L123-Y132 HydrophobicContact CD2-CE1 3.46Å; L123-Y132 VanDerWaalsContact CD2-CE1 3.46Å; L123-Y132 HydrophobicContact CD2-CE2 3.88Å; L123-Y132 HydrophobicContact CD2-CG 3.37Å; E124-Y132 WeakPolarHBondContact CB-OH 3.44Å; E124-Y132 PolarHBondContact N-OH 3.19Å; L127-Y132 HydrophobicContact CB-CE2 4.03Å; L127-Y132 WeakPolarHBondContact CD1-OH 3.27Å; L129-Y132 PolarHBondContact O-N 2.76Å; G130-Y132 PolarHBondContact O-N 2.93Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.17Å
133G87.6Confident92.2Very high46 Ų4657.6 Ų57.647%0.47430%0.303SS..THydrogen-bonded Turntrans6632.4179.100000113.7G130 E131G130-G133 PolarHBondContact O-N 3.03Å; G130-G133 VanDerWaalsContact O-N 3.17Å; E131-G133 VanDerWaalsContact C-N 3.33Å
134L90.4Very high92.1Very high10 Ų1060.4 Ų60.45%0.05232%0.317CS..  trans-59.4139.7176.5-63.9-179.7000111L74 I76 L92 F118 L129 Y132 V140L74-L134 HydrophobicContact CD2-CB 4.19Å; I76-L134 HydrophobicContact CD1-CD1 4.28Å; I76-L134 HydrophobicContact CG2-CD1 4.49Å; L92-L134 HydrophobicContact CD2-CB 4.26Å; F118-L134 HydrophobicContact CB-CD2 4.29Å; F118-L134 HydrophobicContact CD1-CD2 3.73Å; F118-L134 HydrophobicContact CD2-CD2 3.68Å; F118-L134 HydrophobicContact CE1-CD2 3.92Å; F118-L134 HydrophobicContact CE2-CD2 3.89Å; F118-L134 HydrophobicContact CG-CD2 3.61Å; F118-L134 HydrophobicContact CZ-CD2 4Å; L129-L134 HydrophobicContact CB-CD1 3.94Å; L129-L134 HydrophobicContact CD2-CD1 3.83Å; L129-L134 HydrophobicContact CG-CD1 4.32Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.17Å; L134-V140 HydrophobicContact CD2-CG2 3.93Å
135K89.4Confident91.9Very high142 Ų14262.8 Ų62.862%0.61732%0.321SS*.  trans-121.4165179.6-65.6-178.4-175.4175.80110.3L74 L137 S138L74-K135 WeakPolarHBondContact CD1-O 3.4Å; K135-L137 PolarHBondContact O-N 3.32Å; K135-S138 PolarHBondContact N-OG 3.34Å; K135-S138 WeakPolarHBondContact O-CB 3.39Å; K135-S138 PolarHBondContact O-N 3.07Å; K135-S138 PolarHBondContact O-OG 2.81Å
136P91.2Very high91.3Very high103 Ų10367.2 Ų67.267%0.66934%0.344SS*.THydrogen-bonded Turntrans-51.3128.8170.6-27.336000110.8L74 S138L74-P136 HydrophobicContact CD1-CB 4.12Å; L74-P136 HydrophobicContact CD1-CG 3.89Å; P136-S138 PolarHBondContact O-N 3.46Å
137L92.4Very high90.5Very high120 Ų12066.3 Ų66.363%0.62833%0.333SS*.THydrogen-bonded Turntrans65.715.8-178.5-49172.1000114.8S75 L77 K135 T139S75-L137 PolarHBondContact O-N 2.96Å; L77-L137 HydrophobicContact CD1-CB 4.47Å; K135-L137 PolarHBondContact O-N 3.32Å; L137-T139 PolarHBondContact O-N 2.76Å
138S94.6Very high89Confident17 Ų1767 Ų6712%0.11936%0.355CS..  trans-57.1138.3167.7-81.70000110.7L77 K135 P136L77-S138 PolarHBondContact N-O 3.13Å; K135-S138 PolarHBondContact N-OG 3.34Å; K135-S138 WeakPolarHBondContact O-CB 3.39Å; K135-S138 PolarHBondContact O-N 3.07Å; K135-S138 PolarHBondContact O-OG 2.81Å; P136-S138 PolarHBondContact O-N 3.46Å
139T95.9Very high87.3Confident39 Ų3970 Ų7024%0.23939%0.387CS..EExtended strand (participates in β ladder)trans-99.3113.6178.4-56.40000111L77 R79 F118 L137 F141L77-T139 CarbonylContact O-C 3.58Å; L77-T139 WeakPolarHBondContact O-CA 3.26Å; R79-T139 HydrophobicContact CB-CG2 4.11Å; F118-T139 WeakPolarHBondContact CD2-O 3.47Å; L137-T139 PolarHBondContact O-N 2.76Å; T139-F141 HydrophobicContact CG2-CE1 4.43Å; T139-F141 HydrophobicContact CG2-CE2 4.09Å; T139-F141 HydrophobicContact CG2-CZ 4.04Å
140V96.8Very high85.6Confident0 Ų074 Ų740%043%0.429CS..EExtended strand (participates in β ladder)trans-93.9138.6169.5178.80000108.3I76 L77 V78 R79 L116 T117 F118 L123 L134I76-V140 HydrophobicContact CD1-CG2 4.22Å; L77-V140 PolarHBondContact O-N 3.34Å; V78-V140 CarbonylContact C-O 3.59Å; V78-V140 VanDerWaalsContact CA-O 3.31Å; V78-V140 WeakPolarHBondContact CA-O 3.35Å; V78-V140 HydrophobicContact CG2-CB 4.38Å; R79-V140 PolarHBondContact N-O 3.48Å; L116-V140 HydrophobicContact CB-CG1 3.8Å; L116-V140 HydrophobicContact CD1-CG1 4.34Å; L116-V140 HydrophobicContact CD2-CG1 4.14Å; L116-V140 HydrophobicContact CG-CG1 4.31Å; T117-V140 CarbonylContact O-C 3.53Å; T117-V140 WeakPolarHBondContact O-CA 3.4Å; T117-V140 WeakPolarHBondContact O-CG1 3.42Å; F118-V140 HydrophobicContact CD2-CG2 4.36Å; L123-V140 HydrophobicContact CD1-CG1 3.94Å; L134-V140 HydrophobicContact CD2-CG2 3.93Å
141F96.3Very high83.8Confident84 Ų8479.2 Ų79.237%0.36846%0.459SS..EExtended strand (participates in β ladder)trans-103.9132.3179.1-62-99.2000110.3R79 L116 T117 T139 N143R79-F141 HydrophobicContact CB-CD1 4.13Å; R79-F141 HydrophobicContact CB-CE1 4.46Å; R79-F141 HydrophobicContact CG-CD1 4.43Å; L116-F141 CarbonylContact C-O 3.57Å; L116-F141 WeakPolarHBondContact CA-O 3.08Å; T117-F141 PolarHBondContact N-O 3.08Å; T117-F141 PolarHBondContact O-N 2.95Å; T117-F141 WeakPolarHBondContact OG1-CB 3.48Å; T117-F141 PolarHBondContact OG1-O 3.38Å; T139-F141 HydrophobicContact CG2-CE1 4.43Å; T139-F141 HydrophobicContact CG2-CE2 4.09Å; T139-F141 HydrophobicContact CG2-CZ 4.04Å; F141-N143 PolarHBondContact O-ND2 3.42Å
142M95.4Very high82.2Confident6 Ų684 Ų843%0.0348%0.482CS..EExtended strand (participates in β ladder)trans-92.3123.7172.1177.3-160.3-176.400109.4V78 R79 N80 V103 E107 V109 F114 L116 L144V78-M142 HydrophobicContact CG1-CB 4.22Å; R79-M142 PolarHBondContact O-N 2.91Å; N80-M142 HydrophobicContact CB-SD 4.2Å; V103-M142 HydrophobicContact CG1-CE 4.49Å; V103-M142 HydrophobicContact CG1-SD 4.02Å; E107-M142 HydrophobicContact CB-CE 4.29Å; E107-M142 HydrophobicContact CB-SD 4.49Å; E107-M142 HydrophobicContact CG-CE 4.45Å; E107-M142 HydrophobicContact CG-SD 4.02Å; V109-M142 HydrophobicContact CB-CE 4.01Å; V109-M142 HydrophobicContact CG1-CE 4.24Å; V109-M142 HydrophobicContact CG2-CE 4.16Å; F114-M142 HydrophobicContact CB-CE 3.74Å; F114-M142 HydrophobicContact CB-CG 4.07Å; F114-M142 HydrophobicContact CD1-CE 3.58Å; F114-M142 HydrophobicContact CD2-CE 3.95Å; F114-M142 HydrophobicContact CD2-CG 3.65Å; F114-M142 HydrophobicContact CE1-CE 4.07Å; F114-M142 HydrophobicContact CE2-CE 4.41Å; F114-M142 HydrophobicContact CE2-CG 4.3Å; F114-M142 HydrophobicContact CG-CE 3.49Å; F114-M142 VanDerWaalsContact CG-CE 3.49Å; F114-M142 HydrophobicContact CG-CG 4Å; F114-M142 HydrophobicContact CZ-CE 4.47Å; L116-M142 HydrophobicContact CD2-CB 4.03Å; L116-M142 HydrophobicContact CD2-CG 4.44Å; M142-L144 HydrophobicContact CE-CD2 3.92Å
143N93.7Very high80.9Confident52 Ų5288.3 Ų88.328%0.27851%0.514SS..EExtended strand (participates in β ladder)trans-115.7126.7-179.3-58.6-83.4000109F114 W115 T117 F141F114-N143 CarbonylContact C-O 3.53Å; F114-N143 WeakPolarHBondContact CA-O 3.18Å; F114-N143 VanDerWaalsContact CB-O 3.26Å; F114-N143 WeakPolarHBondContact CB-O 3.46Å; W115-N143 VanDerWaalsContact CD1-O 3.28Å; W115-N143 HydrophobicContact CD2-CB 4.06Å; W115-N143 VanDerWaalsContact CE2-CB 3.44Å; W115-N143 HydrophobicContact CG-CB 4.25Å; W115-N143 HydrophobicContact CZ2-CB 3.8Å; W115-N143 PolarHBondContact N-O 2.84Å; W115-N143 VanDerWaalsContact NE1-CB 3.3Å; W115-N143 PolarHBondContact O-N 3.4Å; T117-N143 PolarHBondContact OG1-ND2 3.21Å; F141-N143 PolarHBondContact O-ND2 3.42Å
144L92.6Very high79.5Confident71 Ų7190 Ų9037%0.37253%0.531SS..EExtended strand (participates in β ladder)trans-73.7142.3176.2-64.9-171.7000110.9N81 V109 F114 M142 L146N81-L144 HydrophobicContact CB-CD1 4.49Å; N81-L144 HydrophobicContact CB-CG 4.24Å; N81-L144 WeakPolarHBondContact ND2-CD1 3.22Å; V109-L144 HydrophobicContact CG1-CD2 4.24Å; F114-L144 HydrophobicContact CB-CD2 4.11Å; M142-L144 HydrophobicContact CE-CD2 3.92Å; L144-L146 PolarHBondContact O-N 3.19Å
145R89.4Confident77.6Confident170 Ų17093.3 Ų93.364%0.64257%0.568SS**  trans-81115.6169.7-160.3169.5-167.3165.63.8108.1L113 R147L113-R145 WeakPolarHBondContact O-CB 3.29Å; L113-R145 PolarHBondContact O-N 3.17Å; R145-R147 PolarHBondContact O-N 3.4Å
146L81.4Confident76.1Confident166 Ų16698.3 Ų98.387%0.86958%0.583SS**  trans-69.4113173.7-61.3177.2000108.3L144L144-L146 PolarHBondContact O-N 3.19Å
147R73.1Confident74.3Confident165 Ų165102.9 Ų102.962%0.62362%0.617SS**  trans-89.1115.3161.4-67.6-171.6179.4178.22106.7D112 L113 R145 G149D112-R147 IonicContact OD2-CZ 3.76Å; D112-R147 IonicContact OD2-NH2 2.63Å; D112-R147 PolarHBondContact OD2-NH2 3Å; L113-R147 VanDerWaalsContact CD2-NE 3.26Å; R145-R147 PolarHBondContact O-N 3.4Å; R147-G149 PolarHBondContact O-N 3.43Å
148G59.3Low73.4Confident77 Ų77102.1 Ų102.179%0.79462%0.617SS**  trans-56127.1169.500000108.8G150G148-G150 PolarHBondContact O-N 3.33Å; G148-G150 VanDerWaalsContact O-N 3.11Å
149G56.2Low72.3Confident71 Ų71106.5 Ų106.573%0.73264%0.643SS**  trans-58.5114-175.200000111.5R147 T151R147-G149 PolarHBondContact O-N 3.43Å; G149-T151 PolarHBondContact O-N 3.21Å
150G55.4Low71Confident84 Ų84110.3 Ų110.387%0.86667%0.665SS**  trans-7469.8160.100000109.2G148G148-G150 PolarHBondContact O-N 3.33Å; G148-G150 VanDerWaalsContact O-N 3.11Å
151T51.3Low69.5Low117 Ų117116.8 Ų116.872%0.71870%0.704SS**  trans-115.688.9162.3-41.80000105.4G149 P153G149-T151 PolarHBondContact O-N 3.21Å; T151-P153 VanDerWaalsContact O-CD 3.25Å; T151-P153 WeakPolarHBondContact O-CD 3.38Å
152E53.3Low67.8Low190 Ų190118.8 Ų118.889%0.88873%0.725SS**  trans-76.4113.6157.6-67.7-172101.200107
153P62.9Low65.9Low125 Ų125126.3 Ų126.381%0.81277%0.772SS**  trans-94.3101.7167.328.4-12000107.7T151T151-P153 VanDerWaalsContact O-CD 3.25Å; T151-P153 WeakPolarHBondContact O-CD 3.38Å
154G58.9Low64Low82 Ų82131.6 Ų131.685%0.84581%0.807SS**  trans143.2108.2161.200000116.1
155G50Low61.8Low79 Ų79136.3 Ų136.381%0.81484%0.84SS**  trans-171.359166.200000111.6S157G155-S157 PolarHBondContact O-N 3.26Å
156R58.4Low59.5Low247 Ų247133.5 Ų133.593%0.93286%0.857SS**  trans-57.7127.9161.2-83.8174.9159.4174.7-6.2108.6
157S53.5Low57.5Low199 Ų199130.5 Ų130.5100%1.39286%0.856SS**  trans-1630137.2-74.10000108.1G155G155-S157 PolarHBondContact O-N 3.26Å

Retrieved 157 of 157 residues in 391.1 ms (Link to these results)

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