A0A061HUM1_CRIGR Loading...

Collectrin isoform X1

AlphaFold DB , UniProt , Accession A0A061HUM1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cltrn, Length 222 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low46.2Very low200 Ų200122.7 Ų122.799%0.98563%0.629SS**  0-30.20-70.5-56.9138.500114.2L4M1-L4 HydrophobicContact SD-CD1 4.48Å
2L49.8Very low46.6Very low144 Ų144118.8 Ų118.875%0.75461%0.609SS**  trans-70.1-30.6177.2-150.775.7000114.4L4 L5L2-L4 PolarHBondContact O-N 2.88Å; L2-L5 PolarHBondContact O-N 2.87Å
3W43.3Very low47Very low199 Ų199116.5 Ų116.575%0.75459%0.594SS**Hα-helixtrans-69.6-31.3-172.3-134.818.4000114.2L5 L6 F7W3-L5 VanDerWaalsContact C-N 3.3Å; W3-L5 PolarHBondContact O-N 3.22Å; W3-L6 PolarHBondContact O-N 3.13Å; W3-F7 HydrophobicContact CD2-CE2 4.4Å; W3-F7 HydrophobicContact CG-CE2 4.38Å; W3-F7 VanDerWaalsContact O-CD2 3.23Å; W3-F7 WeakPolarHBondContact O-CD2 3.22Å
4L47.4Very low47.5Very low119 Ų119113 Ų11362%0.62359%0.591SS**Hα-helixtrans-67.1-28.1179.9-80.7160.6000113.2M1 L2M1-L4 HydrophobicContact SD-CD1 4.48Å; L2-L4 PolarHBondContact O-N 2.88Å
5L50.5Low48.4Very low115 Ų115115.5 Ų115.560%0.60260%0.599SS**Hα-helixtrans-71.9-34.3178.5-72.5165.1000112.2L2 W3 L8 V9L2-L5 PolarHBondContact O-N 2.87Å; W3-L5 VanDerWaalsContact C-N 3.3Å; W3-L5 PolarHBondContact O-N 3.22Å; L5-L8 PolarHBondContact O-N 2.89Å; L5-V9 PolarHBondContact O-N 2.69Å
6L47.9Very low49.7Very low112 Ų112110.6 Ų110.659%0.58657%0.574SS**Hα-helixtrans-66-40.3179.4-77.1159.4000112.1W3 L8 T10W3-L6 PolarHBondContact O-N 3.13Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.44Å; L6-T10 PolarHBondContact O-N 3.36Å; L6-T10 PolarHBondContact O-OG1 2.84Å
7F36.7Very low51Low125 Ų125104.7 Ų104.755%0.54854%0.544SS..Hα-helixtrans-67.2-31.2176.2-69.6-70.3000113.2W3 T10 A11W3-F7 HydrophobicContact CD2-CE2 4.4Å; W3-F7 HydrophobicContact CG-CE2 4.38Å; W3-F7 VanDerWaalsContact O-CD2 3.23Å; W3-F7 WeakPolarHBondContact O-CD2 3.22Å; F7-T10 WeakPolarHBondContact CA-OG1 3.29Å; F7-T10 PolarHBondContact O-OG1 2.91Å; F7-A11 PolarHBondContact O-N 3.37Å; F7-A11 VanDerWaalsContact O-N 3.15Å
8L41.3Very low52.5Low112 Ų112104.3 Ų104.359%0.58654%0.539SS*.Hα-helixtrans-68.2-41.8179.4-136.378.3000112L5 L6 T10 A11 I12L5-L8 PolarHBondContact O-N 2.89Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.44Å; L8-T10 PolarHBondContact O-N 3.43Å; L8-A11 PolarHBondContact O-N 2.8Å; L8-I12 WeakPolarHBondContact O-CG1 3.37Å; L8-I12 PolarHBondContact O-N 3.44Å
9V48Very low53.8Low82 Ų82102.2 Ų102.250%0.49753%0.532SS..Hα-helixtrans-62.8-42.7177.61780000110.8L5 A11 I12 H13L5-V9 PolarHBondContact O-N 2.69Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 2.91Å; V9-I12 PolarHBondContact O-N 3.48Å; V9-H13 PolarHBondContact O-N 3.38Å; V9-H13 PolarHBondContact O-ND1 2.93Å
10T49.6Very low54.8Low88 Ų88103.1 Ų103.154%0.5454%0.538SS..Hα-helixtrans-65.4-32.8177.248.70000113.3L6 F7 L8 A14L6-T10 PolarHBondContact O-N 3.36Å; L6-T10 PolarHBondContact O-OG1 2.84Å; F7-T10 WeakPolarHBondContact CA-OG1 3.29Å; F7-T10 PolarHBondContact O-OG1 2.91Å; L8-T10 PolarHBondContact O-N 3.43Å; T10-A14 WeakPolarHBondContact O-CB 3.36Å; T10-A14 PolarHBondContact O-N 3.25Å
11A46Very low56.1Low54 Ų5498.4 Ų98.445%0.44651%0.514SS..Hα-helixtrans-69.6-43.1178.800000112.3F7 L8 V9 H13 A14 E15F7-A11 PolarHBondContact O-N 3.37Å; F7-A11 VanDerWaalsContact O-N 3.15Å; L8-A11 PolarHBondContact O-N 2.8Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 2.91Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.37Å; A11-A14 PolarHBondContact O-N 2.9Å; A11-A14 VanDerWaalsContact O-N 3.08Å; A11-E15 PolarHBondContact O-N 2.97Å; A11-E15 VanDerWaalsContact O-N 3.09Å
12I50.7Low57.7Low75 Ų7596.2 Ų96.239%0.38550%0.501SS..Hα-helixtrans-64.4-37.3179.6-62.6162.6000111.2L8 V9 A14 L16L8-I12 WeakPolarHBondContact O-CG1 3.37Å; L8-I12 PolarHBondContact O-N 3.44Å; V9-I12 PolarHBondContact O-N 3.48Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-L16 PolarHBondContact O-N 3.28Å
13H52.5Low59.4Low89 Ų8991 Ų9141%0.41247%0.474SS..Hα-helixtrans-66.4-33.8173.7-75.171.2000112.5V9 A11 C17V9-H13 PolarHBondContact O-N 3.38Å; V9-H13 PolarHBondContact O-ND1 2.93Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.37Å; H13-C17 WeakPolarHBondContact O-CB 3.26Å
14A54.4Low61.7Low68 Ų6881.5 Ų81.556%0.56244%0.438SS*.Hα-helixtrans-75.8-31.2-179.400000113.5T10 A11 I12T10-A14 WeakPolarHBondContact O-CB 3.36Å; T10-A14 PolarHBondContact O-N 3.25Å; A11-A14 PolarHBondContact O-N 2.9Å; A11-A14 VanDerWaalsContact O-N 3.08Å; I12-A14 VanDerWaalsContact C-N 3.32Å
15E59.8Low63.8Low151 Ų15176 Ų7671%0.70641%0.409SS*.Hα-helixtrans-70.8-51.8176-93.9-167.9146.400112.7A11 C17 H18A11-E15 PolarHBondContact O-N 2.97Å; A11-E15 VanDerWaalsContact O-N 3.09Å; E15-C17 PolarHBondContact O-N 3.47Å; E15-H18 PolarHBondContact O-ND1 3.38Å
16L69Low65.9Low37 Ų3773.2 Ų73.219%0.19439%0.392CS..Hα-helixtrans-70.1-17.6-173.2-9871.2000114.2I12 T88 T95I12-L16 PolarHBondContact O-N 3.28Å; L16-T88 HydrophobicContact CD2-CG2 3.73Å; L16-T95 HydrophobicContact CD2-CG2 4.08Å; L16-T95 HydrophobicContact CG-CG2 4.11Å
17C72.7Confident68.1Low10 Ų1067.9 Ų67.97%0.06836%0.364CS..  trans-132.863.8-164.4-163.40000112H13 E15 L73 C75 V86H13-C17 WeakPolarHBondContact O-CB 3.26Å; E15-C17 PolarHBondContact O-N 3.47Å; C17-L73 HydrophobicContact CB-CB 4.35Å; C17-L73 HydrophobicContact CB-CD1 4.36Å; C17-C75 HydrophobicContact CB-CB 4.16Å; C17-C75 WeakPolarHBondContact CB-SG 3.42Å; C17-C75 WeakPolarHBondContact O-CB 3.43Å; C17-C75 PolarHBondContact O-SG 2.92Å; C17-C75 WeakPolarHBondContact SG-CB 3.28Å; C17-C75 CovalentContact SG-SG 2.02Å; C17-C75 PolarHBondContact SG-SG 3.14Å; C17-V86 HydrophobicContact CB-CG2 4.39Å
18H77.9Confident70.8Confident97 Ų9767.1 Ų67.145%0.44936%0.358SS..  trans-100.8159.9170.657.5-86.5000111.4E15 D20 A21E15-H18 PolarHBondContact O-ND1 3.38Å; H18-D20 PolarHBondContact O-N 3.48Å; H18-A21 WeakPolarHBondContact CE1-CB 3.3Å; H18-A21 WeakPolarHBondContact NE2-CA 3.35Å; H18-A21 WeakPolarHBondContact NE2-CB 3.48Å; H18-A21 VanDerWaalsContact O-CB 3.28Å; H18-A21 WeakPolarHBondContact O-CB 3.34Å; H18-A21 PolarHBondContact O-N 2.93Å
19P76.4Confident73.2Confident64 Ų6462.1 Ų62.142%0.41633%0.332SS..THydrogen-bonded Turntrans-55.7137.5172.8-23.634.9000111A21 N76P19-A21 PolarHBondContact O-N 3.33Å; P19-A21 VanDerWaalsContact O-N 3.16Å; P19-N76 HydrophobicContact CG-CB 4.41Å
20D75.2Confident75.3Confident121 Ų12160.3 Ų60.365%0.64732%0.323SS*.THydrogen-bonded Turntrans61.115.8179.6-61.6-80.5000115.8H18 W84H18-D20 PolarHBondContact O-N 3.48Å; D20-W84 HydrophobicContact CB-CH2 4.21Å; D20-W84 HydrophobicContact CB-CZ2 4.32Å; D20-W84 VanDerWaalsContact CG-CZ2 3.41Å; D20-W84 WeakPolarHBondContact OD1-CH2 3.36Å; D20-W84 VanDerWaalsContact OD1-CZ2 3.3Å; D20-W84 WeakPolarHBondContact OD1-CZ2 3.1Å; D20-W84 WeakPolarHBondContact OD2-CZ2 3.47Å
21A81.4Confident77.4Confident4 Ų456.7 Ų56.73%0.03330%0.3CS..  trans-57.1159.317600000114.1H18 P19 N23 A24H18-A21 WeakPolarHBondContact CE1-CB 3.3Å; H18-A21 WeakPolarHBondContact NE2-CA 3.35Å; H18-A21 WeakPolarHBondContact NE2-CB 3.48Å; H18-A21 VanDerWaalsContact O-CB 3.28Å; H18-A21 WeakPolarHBondContact O-CB 3.34Å; H18-A21 PolarHBondContact O-N 2.93Å; P19-A21 PolarHBondContact O-N 3.33Å; P19-A21 VanDerWaalsContact O-N 3.16Å; A21-N23 PolarHBondContact O-N 2.88Å; A21-A24 HydrophobicContact CB-CB 3.93Å; A21-A24 VanDerWaalsContact O-CB 3.29Å; A21-A24 WeakPolarHBondContact O-CB 3.48Å; A21-A24 PolarHBondContact O-N 3.38Å
22E80.4Confident79.6Confident154 Ų15464.4 Ų64.472%0.7232%0.317SS*.THydrogen-bonded Turntrans-59.9130.2174.7-160.3-176.3159.600110.6A24E22-A24 PolarHBondContact O-N 3.32Å
23N87.3Confident81.5Confident34 Ų3466.3 Ų66.318%0.18233%0.333CS..THydrogen-bonded Turntrans60.213.3-172.2-50.7-57.6000116A21 F25 T95 L96 A98A21-N23 PolarHBondContact O-N 2.88Å; N23-F25 WeakPolarHBondContact O-CD2 3.37Å; N23-F25 WeakPolarHBondContact O-CE2 3.17Å; N23-T95 PolarHBondContact ND2-OG1 3.28Å; N23-L96 WeakPolarHBondContact CB-O 3.33Å; N23-L96 VanDerWaalsContact CG-O 3.25Å; N23-A98 HydrophobicContact CB-CB 4.48Å; N23-A98 VanDerWaalsContact OD1-CB 3.32Å; N23-A98 WeakPolarHBondContact OD1-CB 3.32Å; N23-A98 PolarHBondContact OD1-N 3.49Å
24A90.5Very high83.4Confident0 Ų064 Ų640%033%0.329CS..  trans-81142.9171.100000112.9A21 E22 W84 V86 K127A21-A24 HydrophobicContact CB-CB 3.93Å; A21-A24 VanDerWaalsContact O-CB 3.29Å; A21-A24 WeakPolarHBondContact O-CB 3.48Å; A21-A24 PolarHBondContact O-N 3.38Å; E22-A24 PolarHBondContact O-N 3.32Å; A24-W84 HydrophobicContact CB-CE3 3.81Å; A24-W84 HydrophobicContact CB-CZ3 4.23Å; A24-V86 HydrophobicContact CB-CG2 3.69Å; A24-K127 PolarHBondContact O-NZ 2.78Å
25F92.1Very high85.1Confident3 Ų363 Ų631%0.01331%0.314CS..EExtended strand (participates in β ladder)trans-119.7125.5-178.2-68.3-90.4000110.8N23 W84 F85 A98 V101 Q102 K127 I128N23-F25 WeakPolarHBondContact O-CD2 3.37Å; N23-F25 WeakPolarHBondContact O-CE2 3.17Å; F25-W84 VanDerWaalsContact C-CE3 3.47Å; F25-W84 CarbonylContact O-C 3.58Å; F25-W84 WeakPolarHBondContact O-CA 3.31Å; F25-F85 HydrophobicContact CB-CD1 3.87Å; F25-F85 HydrophobicContact CB-CE1 3.37Å; F25-F85 HydrophobicContact CB-CE2 4.4Å; F25-F85 HydrophobicContact CB-CZ 3.67Å; F25-F85 HydrophobicContact CD2-CE2 4.45Å; F25-F85 HydrophobicContact CD2-CZ 4.29Å; F25-F85 HydrophobicContact CG-CE1 4.27Å; F25-F85 HydrophobicContact CG-CZ 4.09Å; F25-F85 PolarHBondContact N-O 2.93Å; F25-F85 WeakPolarHBondContact O-CD1 3.28Å; F25-F85 PolarHBondContact O-N 2.95Å; F25-A98 HydrophobicContact CE2-CB 4.34Å; F25-A98 HydrophobicContact CZ-CB 3.77Å; F25-A98 WeakPolarHBondContact CZ-O 3.38Å; F25-V101 HydrophobicContact CD2-CG1 3.98Å; F25-V101 HydrophobicContact CE2-CB 3.71Å; F25-V101 HydrophobicContact CE2-CG1 3.65Å; F25-V101 HydrophobicContact CE2-CG2 4.36Å; F25-V101 HydrophobicContact CZ-CB 4.06Å; F25-V101 HydrophobicContact CZ-CG1 4.21Å; F25-Q102 HydrophobicContact CE1-CB 4.42Å; F25-Q102 HydrophobicContact CZ-CB 4.5Å; F25-K127 HydrophobicContact CD1-CB 3.88Å; F25-K127 HydrophobicContact CD1-CD 4.39Å; F25-K127 HydrophobicContact CE1-CB 3.94Å; F25-I128 HydrophobicContact CD1-CD1 3.89Å; F25-I128 HydrophobicContact CD1-CG1 3.82Å; F25-I128 HydrophobicContact CE1-CD1 4.07Å; F25-I128 HydrophobicContact CE1-CG1 3.89Å
26K93.4Very high86.7Confident57 Ų5757.8 Ų57.825%0.24830%0.301CS..EExtended strand (participates in β ladder)trans-87.4128174.5-169.5164.8-170.4165.10110.5W84 L126K26-W84 HydrophobicContact CB-CD2 3.92Å; K26-W84 HydrophobicContact CB-CE3 3.78Å; K26-W84 HydrophobicContact CB-CH2 3.78Å; K26-W84 HydrophobicContact CB-CZ2 3.94Å; K26-W84 HydrophobicContact CB-CZ3 3.71Å; K26-W84 HydrophobicContact CD-CH2 4.27Å; K26-W84 HydrophobicContact CD-CZ2 3.7Å; K26-W84 HydrophobicContact CG-CD2 4.33Å; K26-W84 HydrophobicContact CG-CZ2 4.25Å; K26-L126 HydrophobicContact CB-CB 4.48Å; K26-L126 HydrophobicContact CB-CD1 3.98Å; K26-L126 HydrophobicContact CB-CG 4.26Å; K26-L126 HydrophobicContact CD-CD1 3.8Å; K26-L126 HydrophobicContact CG-CD1 4.05Å; K26-L126 PolarHBondContact O-N 2.98Å
27V94.3Very high87.8Confident0 Ų064.6 Ų64.60%034%0.337CS..EExtended strand (participates in β ladder)trans-109.1143.5175-170.30000109L29 F50 S82 F83 F85 L123 E124 F125V27-L29 HydrophobicContact CB-CD1 4.43Å; V27-L29 HydrophobicContact CG1-CD1 3.61Å; V27-L29 HydrophobicContact CG1-CG 4.32Å; V27-F50 HydrophobicContact CG2-CZ 4.03Å; V27-S82 WeakPolarHBondContact O-CA 3.34Å; V27-S82 WeakPolarHBondContact O-CB 3.47Å; V27-F83 HydrophobicContact CB-CD2 4.31Å; V27-F83 HydrophobicContact CB-CE2 3.94Å; V27-F83 HydrophobicContact CB-CZ 4.14Å; V27-F83 HydrophobicContact CG1-CZ 4.27Å; V27-F83 HydrophobicContact CG2-CD2 4.44Å; V27-F83 HydrophobicContact CG2-CE2 3.92Å; V27-F83 HydrophobicContact CG2-CZ 4.45Å; V27-F83 PolarHBondContact N-O 2.81Å; V27-F83 PolarHBondContact O-N 3.39Å; V27-F85 HydrophobicContact CG2-CD1 3.47Å; V27-F85 VanDerWaalsContact CG2-CD1 3.47Å; V27-F85 HydrophobicContact CG2-CE1 3.48Å; V27-F85 VanDerWaalsContact CG2-CE1 3.48Å; V27-L123 HydrophobicContact CG1-CD1 3.63Å; V27-E124 CarbonylContact C-O 3.55Å; V27-E124 VanDerWaalsContact CA-O 3.32Å; V27-E124 WeakPolarHBondContact CA-O 3.33Å; V27-F125 HydrophobicContact CG2-CD1 3.84Å; V27-F125 HydrophobicContact CG2-CE1 3.89Å; V27-F125 HydrophobicContact CG2-CG 4.5Å
28R93.3Very high88.8Confident109 Ų10973 Ų7341%0.41137%0.373SS..EExtended strand (participates in β ladder)trans-128.6129.2170.6-60.3171.3171.7172.4-2.4108.6E124R28-E124 HydrophobicContact CB-CB 4.29Å; R28-E124 WeakPolarHBondContact CD-OE2 3.37Å; R28-E124 PolarHBondContact N-O 2.94Å; R28-E124 IonicContact NH1-OE2 3.64Å; R28-E124 PolarHBondContact NH1-OE2 3.01Å; R28-E124 PolarHBondContact O-N 3.33Å
29L93.1Very high89.5Confident8 Ų869.8 Ų69.84%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-114.5126.1177.6-64.895.6000110.6V27 I31 W42 V81 F83 L118 T122 L123V27-L29 HydrophobicContact CB-CD1 4.43Å; V27-L29 HydrophobicContact CG1-CD1 3.61Å; V27-L29 HydrophobicContact CG1-CG 4.32Å; L29-I31 HydrophobicContact CB-CD1 4.47Å; L29-I31 HydrophobicContact CB-CG1 4.03Å; L29-W42 HydrophobicContact CD2-CE3 3.91Å; L29-W42 HydrophobicContact CD2-CH2 3.75Å; L29-W42 HydrophobicContact CD2-CZ3 3.38Å; L29-V81 HydrophobicContact CB-CB 4.1Å; L29-V81 HydrophobicContact CB-CG1 3.8Å; L29-V81 HydrophobicContact CD1-CG1 3.83Å; L29-V81 HydrophobicContact CD2-CG1 4.49Å; L29-V81 HydrophobicContact CG-CG1 4.24Å; L29-V81 PolarHBondContact N-O 2.89Å; L29-F83 HydrophobicContact CD1-CD1 4.22Å; L29-F83 HydrophobicContact CD1-CE1 3.47Å; L29-F83 VanDerWaalsContact CD1-CE1 3.47Å; L29-F83 HydrophobicContact CD1-CZ 4Å; L29-L118 HydrophobicContact CD2-CD1 3.75Å; L29-L118 HydrophobicContact CG-CD1 4.41Å; L29-T122 CarbonylContact C-O 3.28Å; L29-T122 WeakPolarHBondContact CA-O 3.35Å; L29-L123 HydrophobicContact CD1-CD1 4.19Å; L29-L123 HydrophobicContact CD2-CD1 3.72Å; L29-L123 HydrophobicContact CG-CD1 3.59Å
30S92.3Very high90.3Very high44 Ų4469.3 Ų69.331%0.30835%0.353SS..  trans-108.352.3179.4-62.10000110.6R32 T33 A34 T122S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 2.92Å; S30-T33 WeakPolarHBondContact O-CA 3.37Å; S30-T33 WeakPolarHBondContact O-CB 3.36Å; S30-T33 PolarHBondContact O-N 3.35Å; S30-A34 PolarHBondContact O-N 3.08Å; S30-A34 VanDerWaalsContact O-N 3.09Å; S30-T122 PolarHBondContact N-O 2.9Å
31I92.1Very high91.1Very high11 Ų1169 Ų696%0.05636%0.355CS..Hα-helixtrans-55-44.9-171.1-51.3173.9000112L29 T33 A34 L35 A39 Y40 W42 V81L29-I31 HydrophobicContact CB-CD1 4.47Å; L29-I31 HydrophobicContact CB-CG1 4.03Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 3.4Å; I31-A34 PolarHBondContact O-N 3.34Å; I31-L35 HydrophobicContact CG2-CD1 4.03Å; I31-L35 PolarHBondContact O-N 2.97Å; I31-A39 HydrophobicContact CG2-CB 4.02Å; I31-Y40 HydrophobicContact CD1-CD2 4.47Å; I31-Y40 HydrophobicContact CD1-CE2 3.88Å; I31-Y40 HydrophobicContact CG2-CD1 3.93Å; I31-Y40 HydrophobicContact CG2-CE1 3.71Å; I31-Y40 HydrophobicContact CG2-CE2 4.39Å; I31-Y40 HydrophobicContact CG2-CG 4.33Å; I31-W42 HydrophobicContact CD1-CB 4.16Å; I31-W42 HydrophobicContact CD1-CE3 3.86Å; I31-V81 HydrophobicContact CD1-CG1 4.35Å; I31-V81 HydrophobicContact CD1-CG2 4.28Å
32R92.1Very high91.7Very high216 Ų21670.3 Ų70.382%0.81536%0.36SS*.Hα-helixtrans-64.2-30.4176.2-73.1-172.4176-163.6-2.4113.6S30 G36 A39S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 2.92Å; R32-G36 WeakPolarHBondContact O-CA 3.34Å; R32-G36 PolarHBondContact O-N 2.94Å; R32-A39 HydrophobicContact CG-CB 3.95Å
33T91.6Very high92.2Very high115 Ų11566.3 Ų66.371%0.70634%0.343SS*.Hα-helixtrans-74.1-35.4177.1-49.10000111.3S30 I31S30-T33 WeakPolarHBondContact O-CA 3.37Å; S30-T33 WeakPolarHBondContact O-CB 3.36Å; S30-T33 PolarHBondContact O-N 3.35Å; I31-T33 VanDerWaalsContact C-N 3.29Å; I31-T33 PolarHBondContact O-N 3.4Å
34A91.1Very high92.5Very high40 Ų4069.7 Ų69.733%0.33137%0.365SS..Hα-helixtrans-75.1-46.7177.100000113S30 I31 L118 T122S30-A34 PolarHBondContact O-N 3.08Å; S30-A34 VanDerWaalsContact O-N 3.09Å; I31-A34 PolarHBondContact O-N 3.34Å; A34-L118 HydrophobicContact CB-CD2 3.48Å; A34-L118 VanDerWaalsContact CB-CD2 3.48Å; A34-T122 HydrophobicContact CB-CG2 4.01Å
35L92.1Very high92.7Very high48 Ų4875.1 Ų75.125%0.25139%0.394SS..Hα-helixtrans-110.3-8.6-165-61176.9000114.7I31 D37 K38 A39 Y40 F117I31-L35 HydrophobicContact CG2-CD1 4.03Å; I31-L35 PolarHBondContact O-N 2.97Å; L35-D37 PolarHBondContact O-N 3.46Å; L35-K38 PolarHBondContact O-N 3.33Å; L35-A39 HydrophobicContact CB-CB 4.25Å; L35-Y40 HydrophobicContact CD1-CD1 3.52Å; L35-Y40 HydrophobicContact CD1-CE1 3.52Å; L35-F117 HydrophobicContact CD2-CB 4.1Å
36G92Very high92.7Very high42 Ų4277 Ų7743%0.43340%0.403SS..G310 helixtrans54.4-124.4-178.700000112.2R32 K38 A39R32-G36 WeakPolarHBondContact O-CA 3.34Å; R32-G36 PolarHBondContact O-N 2.94Å; G36-K38 PolarHBondContact O-N 3.34Å; G36-A39 VanDerWaalsContact O-CB 3.27Å; G36-A39 WeakPolarHBondContact O-CB 3.36Å; G36-A39 PolarHBondContact O-N 3.42Å
37D93.4Very high92.7Very high179 Ų17975.8 Ų75.896%0.95740%0.399SS*.G310 helixtrans-68.8-12.8179.8-54.8-43.9000114L35L35-D37 PolarHBondContact O-N 3.46Å
38K92.2Very high92.8Very high186 Ų18682.6 Ų82.681%0.80943%0.425SS*.G310 helixtrans-95.511.5175.6-60.9-179.1-178.9176.70113L35 G36 Y40L35-K38 PolarHBondContact O-N 3.33Å; G36-K38 PolarHBondContact O-N 3.34Å; K38-Y40 PolarHBondContact O-N 2.91Å
39A93.3Very high92.9Very high30 Ų3080.4 Ų80.425%0.24842%0.421CS..PPolyproline II helixtrans-63.6120.7178.600000111.7I31 R32 L35 G36I31-A39 HydrophobicContact CG2-CB 4.02Å; R32-A39 HydrophobicContact CG-CB 3.95Å; L35-A39 HydrophobicContact CB-CB 4.25Å; G36-A39 VanDerWaalsContact O-CB 3.27Å; G36-A39 WeakPolarHBondContact O-CB 3.36Å; G36-A39 PolarHBondContact O-N 3.42Å
40Y92.8Very high93Very high54 Ų5480 Ų8021%0.21242%0.419CS..PPolyproline II helixtrans-71.2162.5171.560-88.5000111.2I31 L35 K38 W42 E46 F116I31-Y40 HydrophobicContact CD1-CD2 4.47Å; I31-Y40 HydrophobicContact CD1-CE2 3.88Å; I31-Y40 HydrophobicContact CG2-CD1 3.93Å; I31-Y40 HydrophobicContact CG2-CE1 3.71Å; I31-Y40 HydrophobicContact CG2-CE2 4.39Å; I31-Y40 HydrophobicContact CG2-CG 4.33Å; L35-Y40 HydrophobicContact CD1-CD1 3.52Å; L35-Y40 HydrophobicContact CD1-CE1 3.52Å; K38-Y40 PolarHBondContact O-N 2.91Å; Y40-W42 HydrophobicContact CE2-CE3 4.08Å; Y40-W42 HydrophobicContact CE2-CZ3 4.45Å; Y40-E46 HydrophobicContact CD2-CG 3.83Å; Y40-E46 VanDerWaalsContact CE2-CD 3.49Å; Y40-E46 HydrophobicContact CE2-CG 3.81Å; Y40-E46 WeakPolarHBondContact CE2-OE2 3.34Å; Y40-F116 WeakPolarHBondContact CE1-O 3.45Å; Y40-F116 PolarHBondContact OH-O 3.5Å
41V92.8Very high93.1Very high114 Ų11481.1 Ų81.169%0.69142%0.417SS*.PPolyproline II helixtrans-86.2134.4174.7179.30000108.2D43V41-D43 PolarHBondContact O-N 3.42Å
42W92.9Very high93.3Very high32 Ų3281.9 Ų81.912%0.12143%0.425CS..  trans-79108.3171.5-169.8-88.7000109.6L29 I31 Y40 E46 E47 F50 V81 F83 F116L29-W42 HydrophobicContact CD2-CE3 3.91Å; L29-W42 HydrophobicContact CD2-CH2 3.75Å; L29-W42 HydrophobicContact CD2-CZ3 3.38Å; I31-W42 HydrophobicContact CD1-CB 4.16Å; I31-W42 HydrophobicContact CD1-CE3 3.86Å; Y40-W42 HydrophobicContact CE2-CE3 4.08Å; Y40-W42 HydrophobicContact CE2-CZ3 4.45Å; W42-E46 HydrophobicContact CD2-CB 4Å; W42-E46 HydrophobicContact CE3-CB 3.82Å; W42-E46 HydrophobicContact CE3-CG 4.46Å; W42-E46 HydrophobicContact CH2-CB 4.41Å; W42-E46 HydrophobicContact CZ3-CB 4.02Å; W42-E47 HydrophobicContact CZ2-CG 4.39Å; W42-F50 HydrophobicContact CH2-CB 3.93Å; W42-F50 HydrophobicContact CH2-CD2 4.26Å; W42-F50 HydrophobicContact CH2-CG 4.33Å; W42-F50 HydrophobicContact CZ2-CB 4.09Å; W42-F50 HydrophobicContact CZ2-CG 4.48Å; W42-V81 HydrophobicContact CB-CB 4.46Å; W42-V81 HydrophobicContact CB-CG1 3.78Å; W42-V81 HydrophobicContact CB-CG2 3.72Å; W42-V81 HydrophobicContact CD2-CG1 3.51Å; W42-V81 HydrophobicContact CE3-CG1 4.03Å; W42-V81 HydrophobicContact CG-CB 4.48Å; W42-V81 HydrophobicContact CG-CG1 3.38Å; W42-V81 HydrophobicContact CG-CG2 4.23Å; W42-F83 AromaticContact CE2-CE1 3.9Å; W42-F83 HydrophobicContact CH2-CE1 4.27Å; W42-F83 HydrophobicContact CH2-CZ 4.48Å; W42-F83 AromaticContact CZ2-CE1 3.5Å; W42-F83 HydrophobicContact CZ2-CE1 3.5Å; W42-F83 VanDerWaalsContact CZ2-CE1 3.5Å; W42-F83 AromaticContact CZ2-CZ 3.92Å; W42-F83 HydrophobicContact CZ2-CZ 3.92Å; W42-F116 HydrophobicContact CH2-CE1 4.01Å; W42-F116 HydrophobicContact CH2-CZ 4.36Å; W42-F116 HydrophobicContact CZ3-CD1 4.04Å; W42-F116 AromaticContact CZ3-CE1 3.91Å; W42-F116 HydrophobicContact CZ3-CE1 3.91Å
43D92.2Very high93.5Very high71 Ų7172.6 Ų72.638%0.3839%0.39SS..  trans-124.5-167.1-176.866.617.3000112V41 D45 E46 E47V41-D43 PolarHBondContact O-N 3.42Å; D43-D45 PolarHBondContact O-N 3.43Å; D43-D45 WeakPolarHBondContact OD1-CA 3.27Å; D43-D45 WeakPolarHBondContact OD1-CB 3.33Å; D43-D45 PolarHBondContact OD1-N 3.29Å; D43-E46 PolarHBondContact OD1-N 3.09Å; D43-E47 WeakPolarHBondContact O-CG 3.33Å; D43-E47 PolarHBondContact O-N 3.1Å
44T92.6Very high93.6Very high104 Ų10467.1 Ų67.164%0.63836%0.357SS*.Hα-helixtrans-66.2-25.9179.648.40000113.7Y48T44-Y48 WeakPolarHBondContact O-CB 3.33Å; T44-Y48 PolarHBondContact O-N 3.35Å
45D94.1Very high93.8Very high115 Ų11565.3 Ų65.362%0.61534%0.342SS*.Hα-helixtrans-83.2-39-176.1-64.2-1.2000109.2D43 Y48 L49D43-D45 PolarHBondContact O-N 3.43Å; D43-D45 WeakPolarHBondContact OD1-CA 3.27Å; D43-D45 WeakPolarHBondContact OD1-CB 3.33Å; D43-D45 PolarHBondContact OD1-N 3.29Å; D45-Y48 PolarHBondContact O-N 2.93Å; D45-L49 WeakPolarHBondContact O-CB 3.44Å; D45-L49 PolarHBondContact O-N 2.99Å
46E93.7Very high93.9Very high41 Ų4165.8 Ų65.819%0.19234%0.342CS..Hα-helixtrans-63.7-40.5167.6-68.1-62.6152.100112.3Y40 W42 D43 Y48 L49 F50 F116Y40-E46 HydrophobicContact CD2-CG 3.83Å; Y40-E46 VanDerWaalsContact CE2-CD 3.49Å; Y40-E46 HydrophobicContact CE2-CG 3.81Å; Y40-E46 WeakPolarHBondContact CE2-OE2 3.34Å; W42-E46 HydrophobicContact CD2-CB 4Å; W42-E46 HydrophobicContact CE3-CB 3.82Å; W42-E46 HydrophobicContact CE3-CG 4.46Å; W42-E46 HydrophobicContact CH2-CB 4.41Å; W42-E46 HydrophobicContact CZ3-CB 4.02Å; D43-E46 PolarHBondContact OD1-N 3.09Å; E46-Y48 VanDerWaalsContact C-N 3.34Å; E46-Y48 PolarHBondContact O-N 3.2Å; E46-L49 PolarHBondContact O-N 3.45Å; E46-F50 WeakPolarHBondContact O-CB 3.47Å; E46-F50 PolarHBondContact O-N 3.32Å; E46-F116 WeakPolarHBondContact OE2-CD1 3.33Å; E46-F116 VanDerWaalsContact OE2-CE1 3.25Å; E46-F116 WeakPolarHBondContact OE2-CE1 3.17Å
47E93.5Very high94Very high33 Ų3363.8 Ų63.815%0.15432%0.322CS..Hα-helixtrans-61-41.5170.9-82.3-165.8-152.500112.6W42 D43 F50 R51 L74W42-E47 HydrophobicContact CZ2-CG 4.39Å; D43-E47 WeakPolarHBondContact O-CG 3.33Å; D43-E47 PolarHBondContact O-N 3.1Å; E47-F50 PolarHBondContact O-N 3Å; E47-R51 VanDerWaalsContact O-CG 3.28Å; E47-R51 WeakPolarHBondContact O-CG 3.27Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE2-CZ 2.94Å; E47-R51 IonicContact OE2-NH2 3.39Å; E47-R51 PolarHBondContact OE2-NH2 2.87Å; E47-L74 HydrophobicContact CB-CD2 4.16Å; E47-L74 HydrophobicContact CG-CD2 3.9Å
48Y95.1Very high94Very high143 Ų14355.3 Ų55.356%0.56128%0.276SS*.Hα-helixtrans-66.3-43.7177.4179.3-93.3000111.2T44 D45 E46 F50 R51 A52 I69T44-Y48 WeakPolarHBondContact O-CB 3.33Å; T44-Y48 PolarHBondContact O-N 3.35Å; D45-Y48 PolarHBondContact O-N 2.93Å; E46-Y48 VanDerWaalsContact C-N 3.34Å; E46-Y48 PolarHBondContact O-N 3.2Å; Y48-F50 VanDerWaalsContact C-N 3.29Å; Y48-F50 PolarHBondContact O-N 3.27Å; Y48-R51 PolarHBondContact O-N 3.24Å; Y48-A52 WeakPolarHBondContact O-CB 3.44Å; Y48-A52 PolarHBondContact O-N 2.99Å; Y48-I69 HydrophobicContact CD2-CG2 4.36Å; Y48-I69 HydrophobicContact CE1-CD1 4.4Å; Y48-I69 HydrophobicContact CE2-CD1 4.1Å; Y48-I69 HydrophobicContact CE2-CG2 4.09Å; Y48-I69 WeakPolarHBondContact OH-CD1 3.45Å
49L95.7Very high94Very high62 Ų6252 Ų5233%0.32526%0.259SS..Hα-helixtrans-58.5-41.1173.2-179.359.1000111.2D45 E46 A52 M53 F116D45-L49 WeakPolarHBondContact O-CB 3.44Å; D45-L49 PolarHBondContact O-N 2.99Å; E46-L49 PolarHBondContact O-N 3.45Å; L49-A52 PolarHBondContact O-N 3.27Å; L49-M53 HydrophobicContact CD1-CG 4.31Å; L49-M53 WeakPolarHBondContact O-CB 3.44Å; L49-M53 WeakPolarHBondContact O-CG 3.36Å; L49-M53 PolarHBondContact O-N 3.04Å; L49-F116 HydrophobicContact CB-CE1 4.28Å; L49-F116 HydrophobicContact CB-CZ 4.29Å; L49-F116 HydrophobicContact CD2-CD1 4.36Å; L49-F116 HydrophobicContact CD2-CE1 3.76Å; L49-F116 HydrophobicContact CD2-CZ 4.17Å; L49-F116 HydrophobicContact CG-CE1 3.91Å; L49-F116 HydrophobicContact CG-CZ 3.85Å
50F95.6Very high93.7Very high0 Ų056.6 Ų56.60%027%0.273CS..Hα-helixtrans-63.6-47.7176.6-177.4-88.7000111.8V27 W42 E46 E47 Y48 A52 M53 V54 L74 F83 F85 F116 F125V27-F50 HydrophobicContact CG2-CZ 4.03Å; W42-F50 HydrophobicContact CH2-CB 3.93Å; W42-F50 HydrophobicContact CH2-CD2 4.26Å; W42-F50 HydrophobicContact CH2-CG 4.33Å; W42-F50 HydrophobicContact CZ2-CB 4.09Å; W42-F50 HydrophobicContact CZ2-CG 4.48Å; E46-F50 WeakPolarHBondContact O-CB 3.47Å; E46-F50 PolarHBondContact O-N 3.32Å; E47-F50 PolarHBondContact O-N 3Å; Y48-F50 VanDerWaalsContact C-N 3.29Å; Y48-F50 PolarHBondContact O-N 3.27Å; F50-A52 VanDerWaalsContact C-N 3.28Å; F50-A52 PolarHBondContact O-N 3.19Å; F50-M53 PolarHBondContact O-N 3.15Å; F50-V54 HydrophobicContact CD1-CG2 4.04Å; F50-V54 HydrophobicContact CE1-CG2 3.5Å; F50-V54 HydrophobicContact CE2-CG2 4.37Å; F50-V54 HydrophobicContact CZ-CG2 3.69Å; F50-V54 WeakPolarHBondContact O-CG2 3.48Å; F50-V54 PolarHBondContact O-N 3.47Å; F50-L74 HydrophobicContact CD1-CD1 4.11Å; F50-L74 HydrophobicContact CD1-CD2 4.13Å; F50-L74 HydrophobicContact CD1-CG 4.43Å; F50-L74 HydrophobicContact CE1-CD1 4.41Å; F50-F83 AromaticContact CD1-CE2 3.88Å; F50-F83 HydrophobicContact CD1-CE2 3.88Å; F50-F83 AromaticContact CD1-CZ 3.84Å; F50-F83 HydrophobicContact CD1-CZ 3.84Å; F50-F83 HydrophobicContact CD2-CZ 4.02Å; F50-F83 AromaticContact CE1-CE2 3.49Å; F50-F83 HydrophobicContact CE1-CE2 3.49Å; F50-F83 VanDerWaalsContact CE1-CE2 3.49Å; F50-F83 AromaticContact CE1-CZ 3.8Å; F50-F83 HydrophobicContact CE1-CZ 3.8Å; F50-F83 HydrophobicContact CE2-CE2 4.33Å; F50-F83 AromaticContact CE2-CZ 3.96Å; F50-F83 HydrophobicContact CE2-CZ 3.96Å; F50-F83 HydrophobicContact CG-CE2 4.46Å; F50-F83 AromaticContact CG-CZ 3.96Å; F50-F83 HydrophobicContact CG-CZ 3.96Å; F50-F83 AromaticContact CZ-CE2 3.75Å; F50-F83 HydrophobicContact CZ-CE2 3.75Å; F50-F83 AromaticContact CZ-CZ 3.86Å; F50-F83 HydrophobicContact CZ-CZ 3.86Å; F50-F85 HydrophobicContact CE1-CB 4.35Å; F50-F85 HydrophobicContact CE1-CD1 4.19Å; F50-F85 HydrophobicContact CE1-CG 4.16Å; F50-F85 HydrophobicContact CZ-CD1 4.13Å; F50-F85 HydrophobicContact CZ-CE1 4.3Å; F50-F116 HydrophobicContact CB-CE2 4.49Å; F50-F116 HydrophobicContact CB-CZ 3.83Å; F50-F116 HydrophobicContact CD2-CE2 4.07Å; F50-F116 HydrophobicContact CD2-CZ 4.2Å; F50-F125 HydrophobicContact CE2-CZ 4.21Å; F50-F125 HydrophobicContact CZ-CE1 4.23Å; F50-F125 HydrophobicContact CZ-CZ 4.37Å
51R95.3Very high93.5Very high68 Ų6855 Ų5526%0.25727%0.269SS..Hα-helixtrans-58-42.3174.8-66.5167.7-156.3-137.28.4111.3E47 Y48 V54 A55 I69 V72 L74E47-R51 VanDerWaalsContact O-CG 3.28Å; E47-R51 WeakPolarHBondContact O-CG 3.27Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE2-CZ 2.94Å; E47-R51 IonicContact OE2-NH2 3.39Å; E47-R51 PolarHBondContact OE2-NH2 2.87Å; Y48-R51 PolarHBondContact O-N 3.24Å; R51-V54 PolarHBondContact O-N 3.38Å; R51-A55 VanDerWaalsContact O-CB 3.31Å; R51-A55 WeakPolarHBondContact O-CB 3.43Å; R51-A55 PolarHBondContact O-N 3.31Å; R51-I69 HydrophobicContact CB-CG2 3.51Å; R51-V72 HydrophobicContact CB-CB 4.17Å; R51-V72 HydrophobicContact CB-CG1 4.32Å; R51-V72 HydrophobicContact CG-CB 4.29Å; R51-V72 HydrophobicContact CG-CG1 4.17Å; R51-L74 HydrophobicContact CG-CD1 3.41Å; R51-L74 VanDerWaalsContact CG-CD1 3.41Å; R51-L74 HydrophobicContact CG-CD2 4.44Å
52A95.8Very high93.2Very high27 Ų2754.2 Ų54.222%0.22327%0.266CS..Hα-helixtrans-63.4-41.8176.600000112.6Y48 L49 F50 A55 F56 I69Y48-A52 WeakPolarHBondContact O-CB 3.44Å; Y48-A52 PolarHBondContact O-N 2.99Å; L49-A52 PolarHBondContact O-N 3.27Å; F50-A52 VanDerWaalsContact C-N 3.28Å; F50-A52 PolarHBondContact O-N 3.19Å; A52-A55 PolarHBondContact O-N 2.92Å; A52-F56 VanDerWaalsContact O-CB 3.23Å; A52-F56 WeakPolarHBondContact O-CB 3.25Å; A52-F56 PolarHBondContact O-N 2.92Å; A52-I69 HydrophobicContact CB-CD1 3.91Å; A52-I69 HydrophobicContact CB-CG1 4.4Å
53M95.4Very high92.8Very high20 Ų2059.9 Ų59.910%0.09930%0.299CS..Hα-helixtrans-69.6-36.6177.9-73.7-56.2-66.800113L49 F50 S57 R111 I112 A115 F116L49-M53 HydrophobicContact CD1-CG 4.31Å; L49-M53 WeakPolarHBondContact O-CB 3.44Å; L49-M53 WeakPolarHBondContact O-CG 3.36Å; L49-M53 PolarHBondContact O-N 3.04Å; F50-M53 PolarHBondContact O-N 3.15Å; M53-S57 WeakPolarHBondContact O-CB 3.44Å; M53-S57 PolarHBondContact O-N 2.85Å; M53-S57 PolarHBondContact O-OG 3.5Å; M53-R111 HydrophobicContact CE-CG 4.03Å; M53-R111 WeakPolarHBondContact CE-O 3.45Å; M53-I112 HydrophobicContact CE-CG1 4.15Å; M53-A115 HydrophobicContact CE-CB 4.04Å; M53-A115 HydrophobicContact CG-CB 4.32Å; M53-A115 HydrophobicContact SD-CB 4.27Å; M53-F116 HydrophobicContact CG-CE2 4.41Å
54V94.9Very high92.5Very high0 Ų058 Ų580%029%0.286CS..Hα-helixtrans-66.2-49.7171.3172.70000110.4F50 R51 F56 S57 M58 V72 F85 V87 I105F50-V54 HydrophobicContact CD1-CG2 4.04Å; F50-V54 HydrophobicContact CE1-CG2 3.5Å; F50-V54 HydrophobicContact CE2-CG2 4.37Å; F50-V54 HydrophobicContact CZ-CG2 3.69Å; F50-V54 WeakPolarHBondContact O-CG2 3.48Å; F50-V54 PolarHBondContact O-N 3.47Å; R51-V54 PolarHBondContact O-N 3.38Å; V54-F56 VanDerWaalsContact C-N 3.35Å; V54-F56 PolarHBondContact O-N 3.28Å; V54-S57 WeakPolarHBondContact O-CB 3.46Å; V54-S57 PolarHBondContact O-N 2.94Å; V54-M58 HydrophobicContact CG1-CG 4.48Å; V54-M58 WeakPolarHBondContact O-CG 3.45Å; V54-M58 PolarHBondContact O-N 3.31Å; V54-V72 HydrophobicContact CB-CG1 3.94Å; V54-V72 HydrophobicContact CB-CG2 4.13Å; V54-V72 HydrophobicContact CG1-CB 4.45Å; V54-V72 HydrophobicContact CG1-CG1 3.76Å; V54-V72 HydrophobicContact CG1-CG2 3.76Å; V54-V72 HydrophobicContact CG2-CG1 4.47Å; V54-F85 HydrophobicContact CG1-CD2 4.2Å; V54-F85 HydrophobicContact CG1-CE2 3.98Å; V54-F85 HydrophobicContact CG2-CD2 4.5Å; V54-F85 HydrophobicContact CG2-CE2 4.32Å; V54-V87 HydrophobicContact CG1-CG2 3.81Å; V54-I105 HydrophobicContact CB-CD1 4.46Å; V54-I105 HydrophobicContact CG1-CD1 4.32Å; V54-I105 HydrophobicContact CG2-CD1 4.04Å
55A94.5Very high92.1Very high2 Ų260.1 Ų60.12%0.01729%0.289CS..Hα-helixtrans-59.5-43.5178.100000111.9R51 A52 S57 M58 R59 I69 V72R51-A55 VanDerWaalsContact O-CB 3.31Å; R51-A55 WeakPolarHBondContact O-CB 3.43Å; R51-A55 PolarHBondContact O-N 3.31Å; A52-A55 PolarHBondContact O-N 2.92Å; A55-S57 VanDerWaalsContact C-N 3.31Å; A55-S57 PolarHBondContact O-N 3.26Å; A55-M58 PolarHBondContact O-N 3.37Å; A55-R59 WeakPolarHBondContact O-CG 3.41Å; A55-R59 PolarHBondContact O-N 2.91Å; A55-I69 HydrophobicContact CB-CG1 4.35Å; A55-V72 HydrophobicContact CB-CG2 4.04Å
56F94.3Very high91.7Very high59 Ų5959 Ų5926%0.25929%0.287SS..Hα-helixtrans-56.3-44172.4172-90.4000112.2A52 V54 R59 R111A52-F56 VanDerWaalsContact O-CB 3.23Å; A52-F56 WeakPolarHBondContact O-CB 3.25Å; A52-F56 PolarHBondContact O-N 2.92Å; V54-F56 VanDerWaalsContact C-N 3.35Å; V54-F56 PolarHBondContact O-N 3.28Å; F56-R59 PolarHBondContact O-N 3.38Å; F56-R111 VanDerWaalsContact CZ-CZ 3.41Å
57S93.4Very high91.4Very high0 Ų057.1 Ų57.10%028%0.278CS..Hα-helixtrans-65.7-39.6179-57.50000111.5M53 V54 A55 K60 N108M53-S57 WeakPolarHBondContact O-CB 3.44Å; M53-S57 PolarHBondContact O-N 2.85Å; M53-S57 PolarHBondContact O-OG 3.5Å; V54-S57 WeakPolarHBondContact O-CB 3.46Å; V54-S57 PolarHBondContact O-N 2.94Å; A55-S57 VanDerWaalsContact C-N 3.31Å; A55-S57 PolarHBondContact O-N 3.26Å; S57-K60 WeakPolarHBondContact O-CB 3.36Å; S57-K60 PolarHBondContact O-N 3.09Å; S57-N108 VanDerWaalsContact OG-CB 3.32Å; S57-N108 WeakPolarHBondContact OG-CB 3.3Å
58M93.2Very high91.3Very high0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-66-37.7175.3-66.8-56.7-46.100112.6V54 A55 K60 V61 R64 T67 V87 L96 V101 A104V54-M58 HydrophobicContact CG1-CG 4.48Å; V54-M58 WeakPolarHBondContact O-CG 3.45Å; V54-M58 PolarHBondContact O-N 3.31Å; A55-M58 PolarHBondContact O-N 3.37Å; M58-K60 PolarHBondContact O-N 3.05Å; M58-V61 HydrophobicContact CE-CG2 4.14Å; M58-V61 VanDerWaalsContact O-CB 3.31Å; M58-V61 WeakPolarHBondContact O-CB 3.02Å; M58-V61 WeakPolarHBondContact O-CG2 3.17Å; M58-V61 PolarHBondContact O-N 3.29Å; M58-R64 HydrophobicContact CE-CG 4.48Å; M58-R64 VanDerWaalsContact O-CB 3.3Å; M58-R64 WeakPolarHBondContact O-CB 3.38Å; M58-T67 HydrophobicContact CB-CG2 3.85Å; M58-T67 HydrophobicContact CG-CG2 4.43Å; M58-V87 HydrophobicContact CG-CG1 4.11Å; M58-V87 HydrophobicContact CG-CG2 4.36Å; M58-L96 HydrophobicContact CE-CD1 3.55Å; M58-V101 HydrophobicContact CE-CG2 4.35Å; M58-V101 HydrophobicContact SD-CB 4.33Å; M58-V101 HydrophobicContact SD-CG1 4.34Å; M58-V101 HydrophobicContact SD-CG2 4.11Å; M58-A104 HydrophobicContact CE-CB 4.34Å; M58-A104 HydrophobicContact SD-CB 3.53Å; M58-A104 VanDerWaalsContact SD-CB 3.53Å
59R92.3Very high91.1Very high117 Ų11756.2 Ų56.244%0.44228%0.28SS..THydrogen-bonded Turntrans-62.8-12.3174.3-69.7-172.2-175.1-155-8.1114.5A55 F56 E65 T67A55-R59 WeakPolarHBondContact O-CG 3.41Å; A55-R59 PolarHBondContact O-N 2.91Å; F56-R59 PolarHBondContact O-N 3.38Å; R59-E65 WeakPolarHBondContact CD-O 3.28Å; R59-E65 WeakPolarHBondContact CG-O 3.47Å; R59-E65 PolarHBondContact NE-O 2.85Å; R59-T67 PolarHBondContact NE-O 3.28Å; R59-T67 PolarHBondContact NH2-O 2.99Å
60K88.5Confident90.8Very high126 Ų12656.6 Ų56.655%0.54829%0.287SS..THydrogen-bonded Turntrans-85.9-10.1171.6-64.6-60.6-172.8-178.90113.5S57 M58S57-K60 WeakPolarHBondContact O-CB 3.36Å; S57-K60 PolarHBondContact O-N 3.09Å; M58-K60 PolarHBondContact O-N 3.05Å
61V88.6Confident90.6Very high20 Ų2058.3 Ų58.312%0.12130%0.295CS..SBendtrans-80.4136.3173.7-174.60000109.3M58 N63 R64 A104M58-V61 HydrophobicContact CE-CG2 4.14Å; M58-V61 VanDerWaalsContact O-CB 3.31Å; M58-V61 WeakPolarHBondContact O-CB 3.02Å; M58-V61 WeakPolarHBondContact O-CG2 3.17Å; M58-V61 PolarHBondContact O-N 3.29Å; V61-N63 PolarHBondContact O-N 3.13Å; V61-R64 HydrophobicContact CB-CB 4.07Å; V61-R64 HydrophobicContact CB-CG 3.94Å; V61-R64 HydrophobicContact CG1-CG 3.99Å; V61-R64 PolarHBondContact O-N 3.46Å; V61-A104 HydrophobicContact CG2-CB 3.43Å; V61-A104 VanDerWaalsContact CG2-CB 3.43Å
62P86.2Confident90.5Very high98 Ų9855 Ų5564%0.63628%0.283SS*.THydrogen-bonded Turntrans-52.3139.8173-26.535000112.1R64P62-R64 PolarHBondContact O-N 3.31Å
63N84.4Confident90.2Very high151 Ų15154.5 Ų54.581%0.80728%0.277SS*.THydrogen-bonded Turntrans6513-178.2-44.8-56.6000115.9V61V61-N63 PolarHBondContact O-N 3.13Å
64R85.4Confident90Very high32 Ų3254.5 Ų54.512%0.12128%0.277CS..  trans-120.318.4-179.9-58.2-61-176.7-166.30.9114.2M58 V61 P62 T66 T67 D89 L96 E100M58-R64 HydrophobicContact CE-CG 4.48Å; M58-R64 VanDerWaalsContact O-CB 3.3Å; M58-R64 WeakPolarHBondContact O-CB 3.38Å; V61-R64 HydrophobicContact CB-CB 4.07Å; V61-R64 HydrophobicContact CB-CG 3.94Å; V61-R64 HydrophobicContact CG1-CG 3.99Å; V61-R64 PolarHBondContact O-N 3.46Å; P62-R64 PolarHBondContact O-N 3.31Å; R64-T66 PolarHBondContact O-N 2.79Å; R64-T66 VanDerWaalsContact O-N 3.13Å; R64-T67 WeakPolarHBondContact O-CB 3.47Å; R64-T67 PolarHBondContact O-N 2.99Å; R64-T67 VanDerWaalsContact O-N 3.09Å; R64-T67 PolarHBondContact O-OG1 2.92Å; R64-D89 IonicContact CZ-OD2 3.28Å; R64-D89 VanDerWaalsContact NH1-CG 3.33Å; R64-D89 IonicContact NH1-OD1 3.67Å; R64-D89 IonicContact NH1-OD2 2.84Å; R64-D89 PolarHBondContact NH1-OD2 3.36Å; R64-D89 IonicContact NH2-OD2 2.71Å; R64-L96 VanDerWaalsContact CZ-CD2 3.44Å; R64-E100 IonicContact CZ-OE2 3.45Å; R64-E100 VanDerWaalsContact CZ-OE2 3.28Å; R64-E100 IonicContact NE-OE2 3.23Å; R64-E100 PolarHBondContact NE-OE2 2.99Å; R64-E100 IonicContact NH2-OE1 3.86Å; R64-E100 PolarHBondContact NH2-OE1 2.88Å; R64-E100 IonicContact NH2-OE2 2.81Å; R64-E100 PolarHBondContact NH2-OE2 3.39Å
65E84.1Confident89.8Confident148 Ų14855.7 Ų55.769%0.69229%0.285SS*.THydrogen-bonded Turntrans-59-27-176.2-61.9175.2-177.900114R59R59-E65 WeakPolarHBondContact CD-O 3.28Å; R59-E65 WeakPolarHBondContact CG-O 3.47Å; R59-E65 PolarHBondContact NE-O 2.85Å
66T85.7Confident89.5Confident93 Ų9360.2 Ų60.257%0.57131%0.309SS*.THydrogen-bonded Turntrans-87.64.5-179.953.90000114.1R64 E68R64-T66 PolarHBondContact O-N 2.79Å; R64-T66 VanDerWaalsContact O-N 3.13Å; T66-E68 PolarHBondContact O-N 2.8Å
67T87.4Confident89.2Confident0 Ų060.2 Ų60.20%031%0.314CS..  trans-65.2105.1178.8-58.30000111.4M58 R59 R64 H71 V87M58-T67 HydrophobicContact CB-CG2 3.85Å; M58-T67 HydrophobicContact CG-CG2 4.43Å; R59-T67 PolarHBondContact NE-O 3.28Å; R59-T67 PolarHBondContact NH2-O 2.99Å; R64-T67 WeakPolarHBondContact O-CB 3.47Å; R64-T67 PolarHBondContact O-N 2.99Å; R64-T67 VanDerWaalsContact O-N 3.09Å; R64-T67 PolarHBondContact O-OG1 2.92Å; T67-H71 HydrophobicContact CG2-CB 4.38Å; T67-V87 HydrophobicContact CG2-CG1 4.27Å
68E91.3Very high88.9Confident107 Ų10762.7 Ų62.750%0.533%0.328SS..  trans-81.3167.6170.9-59.7-169.1164.400114.2T66 S70 H71T66-E68 PolarHBondContact O-N 2.8Å; E68-S70 VanDerWaalsContact C-N 3.26Å; E68-S70 WeakPolarHBondContact CB-OG 3.49Å; E68-S70 PolarHBondContact O-N 2.84Å; E68-H71 PolarHBondContact N-ND1 3.37Å; E68-H71 VanDerWaalsContact N-ND1 3.16Å; E68-H71 PolarHBondContact O-N 3.11Å
69I91.8Very high88.4Confident50 Ų5072.2 Ų72.226%0.25637%0.373SS..G310 helixtrans-63.9-33.2179.4-54.4-179.8000111.2Y48 R51 A52 A55 H71 V72Y48-I69 HydrophobicContact CD2-CG2 4.36Å; Y48-I69 HydrophobicContact CE1-CD1 4.4Å; Y48-I69 HydrophobicContact CE2-CD1 4.1Å; Y48-I69 HydrophobicContact CE2-CG2 4.09Å; Y48-I69 WeakPolarHBondContact OH-CD1 3.45Å; R51-I69 HydrophobicContact CB-CG2 3.51Å; A52-I69 HydrophobicContact CB-CD1 3.91Å; A52-I69 HydrophobicContact CB-CG1 4.4Å; A55-I69 HydrophobicContact CB-CG1 4.35Å; I69-H71 PolarHBondContact O-N 3.4Å; I69-V72 PolarHBondContact O-N 3.5Å; I69-V72 VanDerWaalsContact O-N 3.08Å
70S89.5Confident87.6Confident70 Ų7077.7 Ų77.749%0.4939%0.394SS..G310 helixtrans-57.9-28.5174.645.60000113.8E68 V72E68-S70 VanDerWaalsContact C-N 3.26Å; E68-S70 WeakPolarHBondContact CB-OG 3.49Å; E68-S70 PolarHBondContact O-N 2.84Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 3.2Å
71H90.5Very high87.3Confident36 Ų3672.8 Ų72.817%0.16737%0.374CS..G310 helixtrans-82.5-1.2178.2-52.8127.2000113.4T67 E68 I69 V87 T88T67-H71 HydrophobicContact CG2-CB 4.38Å; E68-H71 PolarHBondContact N-ND1 3.37Å; E68-H71 VanDerWaalsContact N-ND1 3.16Å; E68-H71 PolarHBondContact O-N 3.11Å; I69-H71 PolarHBondContact O-N 3.4Å; H71-V87 CarbonylContact O-C 3.6Å; H71-V87 WeakPolarHBondContact O-CA 3.28Å; H71-T88 WeakPolarHBondContact CA-OG1 3.37Å; H71-T88 WeakPolarHBondContact CB-OG1 3.32Å; H71-T88 PolarHBondContact O-N 3.27Å; H71-T88 PolarHBondContact O-OG1 3.48Å
72V92.4Very high87.5Confident0 Ų073 Ų730%038%0.376CS..EExtended strand (participates in β ladder)trans-104.1105.8174.6-173.50000109.1R51 V54 A55 I69 S70 L74R51-V72 HydrophobicContact CB-CB 4.17Å; R51-V72 HydrophobicContact CB-CG1 4.32Å; R51-V72 HydrophobicContact CG-CB 4.29Å; R51-V72 HydrophobicContact CG-CG1 4.17Å; V54-V72 HydrophobicContact CB-CG1 3.94Å; V54-V72 HydrophobicContact CB-CG2 4.13Å; V54-V72 HydrophobicContact CG1-CB 4.45Å; V54-V72 HydrophobicContact CG1-CG1 3.76Å; V54-V72 HydrophobicContact CG1-CG2 3.76Å; V54-V72 HydrophobicContact CG2-CG1 4.47Å; A55-V72 HydrophobicContact CB-CG2 4.04Å; I69-V72 PolarHBondContact O-N 3.5Å; I69-V72 VanDerWaalsContact O-N 3.08Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 3.2Å; V72-L74 HydrophobicContact CG1-CD1 4.02Å
73L91.1Very high87.8Confident16 Ų1668.3 Ų68.38%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-96.7131.7-178.4-54.3-172.9000109.8C17 F85 V86 T88C17-L73 HydrophobicContact CB-CB 4.35Å; C17-L73 HydrophobicContact CB-CD1 4.36Å; L73-F85 CarbonylContact O-C 3.54Å; L73-F85 WeakPolarHBondContact O-CA 3.34Å; L73-F85 WeakPolarHBondContact O-CB 3.38Å; L73-V86 PolarHBondContact N-O 3.45Å; L73-V86 PolarHBondContact O-N 3.03Å; L73-T88 HydrophobicContact CD1-CG2 4.09Å; L73-T88 HydrophobicContact CG-CG2 4.42Å
74L91.6Very high88.2Confident20 Ų2061.6 Ų61.611%0.10531%0.309CS..EExtended strand (participates in β ladder)trans-111.1134.5173.4-8561.9000109.2E47 F50 R51 V72 F83 W84 F85E47-L74 HydrophobicContact CB-CD2 4.16Å; E47-L74 HydrophobicContact CG-CD2 3.9Å; F50-L74 HydrophobicContact CD1-CD1 4.11Å; F50-L74 HydrophobicContact CD1-CD2 4.13Å; F50-L74 HydrophobicContact CD1-CG 4.43Å; F50-L74 HydrophobicContact CE1-CD1 4.41Å; R51-L74 HydrophobicContact CG-CD1 3.41Å; R51-L74 VanDerWaalsContact CG-CD1 3.41Å; R51-L74 HydrophobicContact CG-CD2 4.44Å; V72-L74 HydrophobicContact CG1-CD1 4.02Å; L74-F83 HydrophobicContact CD2-CD2 4.21Å; L74-F83 HydrophobicContact CD2-CE2 4.02Å; L74-F83 HydrophobicContact CD2-CZ 4.24Å; L74-F83 HydrophobicContact CG-CD2 3.99Å; L74-F83 HydrophobicContact CG-CE2 4.02Å; L74-W84 CarbonylContact C-O 3.59Å; L74-W84 WeakPolarHBondContact CA-O 3.36Å; L74-F85 HydrophobicContact CD1-CB 4.2Å; L74-F85 HydrophobicContact CG-CB 4.47Å
75C89.2Confident88.6Confident25 Ų2560 Ų6017%0.16930%0.304CS..EExtended strand (participates in β ladder)trans-141.4148.4-172.3-63.30000112.3C17 V77 W84C17-C75 HydrophobicContact CB-CB 4.16Å; C17-C75 WeakPolarHBondContact CB-SG 3.42Å; C17-C75 WeakPolarHBondContact O-CB 3.43Å; C17-C75 PolarHBondContact O-SG 2.92Å; C17-C75 WeakPolarHBondContact SG-CB 3.28Å; C17-C75 CovalentContact SG-SG 2.02Å; C17-C75 PolarHBondContact SG-SG 3.14Å; C75-V77 PolarHBondContact O-N 3.3Å; C75-W84 PolarHBondContact N-O 3.05Å; C75-W84 PolarHBondContact O-N 3.05Å
76N89.2Confident89Confident96 Ų9653 Ų5351%0.51327%0.271SS..  trans51.953.3-179.4-168.713.6000112.3P19 T78P19-N76 HydrophobicContact CG-CB 4.41Å; N76-T78 PolarHBondContact O-N 2.94Å
77V87.6Confident89.3Confident60 Ų6048.7 Ų48.736%0.36425%0.245SC..  trans-71.4119.1176.1-173.50000109.2C75 F83C75-V77 PolarHBondContact O-N 3.3Å; V77-F83 HydrophobicContact CB-CB 4.29Å; V77-F83 HydrophobicContact CG2-CB 3.83Å; V77-F83 HydrophobicContact CG2-CG 4.48Å
78T87.7Confident89.4Confident51 Ų5149.6 Ų49.631%0.31325%0.25SC..  trans-102.5154.9-177.560.30000111.8N76 R80 V81 S82N76-T78 PolarHBondContact O-N 2.94Å; T78-R80 PolarHBondContact O-N 3.46Å; T78-R80 VanDerWaalsContact O-N 3.13Å; T78-V81 WeakPolarHBondContact O-CA 3.41Å; T78-V81 PolarHBondContact O-N 2.93Å; T78-S82 PolarHBondContact N-O 3.07Å; T78-S82 PolarHBondContact OG1-N 3.36Å; T78-S82 VanDerWaalsContact OG1-N 3.07Å; T78-S82 PolarHBondContact OG1-O 2.8Å; T78-S82 PolarHBondContact OG1-OG 3.01Å
79Q81.1Confident89.1Confident201 Ų20145.3 Ų45.394%0.93923%0.23SC*.THydrogen-bonded Turntrans-61.3-21.9178.6-164.7-177.218.800114.1V81Q79-V81 PolarHBondContact O-N 2.78Å
80R75.5Confident88.5Confident231 Ų23145 Ų4587%0.87223%0.232SC*.THydrogen-bonded Turntrans-84.415.5171.3-69.1-169.9178.5-168.20.2113.2T78 S82T78-R80 PolarHBondContact O-N 3.46Å; T78-R80 VanDerWaalsContact O-N 3.13Å; R80-S82 PolarHBondContact O-N 3.14Å
81V83.7Confident87.9Confident23 Ų2346.4 Ų46.414%0.13924%0.242CC..SBendtrans5155.8-178-1560000112.2L29 I31 W42 T78 Q79L29-V81 HydrophobicContact CB-CB 4.1Å; L29-V81 HydrophobicContact CB-CG1 3.8Å; L29-V81 HydrophobicContact CD1-CG1 3.83Å; L29-V81 HydrophobicContact CD2-CG1 4.49Å; L29-V81 HydrophobicContact CG-CG1 4.24Å; L29-V81 PolarHBondContact N-O 2.89Å; I31-V81 HydrophobicContact CD1-CG1 4.35Å; I31-V81 HydrophobicContact CD1-CG2 4.28Å; W42-V81 HydrophobicContact CB-CB 4.46Å; W42-V81 HydrophobicContact CB-CG1 3.78Å; W42-V81 HydrophobicContact CB-CG2 3.72Å; W42-V81 HydrophobicContact CD2-CG1 3.51Å; W42-V81 HydrophobicContact CE3-CG1 4.03Å; W42-V81 HydrophobicContact CG-CB 4.48Å; W42-V81 HydrophobicContact CG-CG1 3.38Å; W42-V81 HydrophobicContact CG-CG2 4.23Å; T78-V81 WeakPolarHBondContact O-CA 3.41Å; T78-V81 PolarHBondContact O-N 2.93Å; Q79-V81 PolarHBondContact O-N 2.78Å
82S91.3Very high87Confident24 Ų2450.8 Ų50.817%0.16826%0.26CS..EExtended strand (participates in β ladder)trans-120.2138.3161780000109.8V27 T78 R80V27-S82 WeakPolarHBondContact O-CA 3.34Å; V27-S82 WeakPolarHBondContact O-CB 3.47Å; T78-S82 PolarHBondContact N-O 3.07Å; T78-S82 PolarHBondContact OG1-N 3.36Å; T78-S82 VanDerWaalsContact OG1-N 3.07Å; T78-S82 PolarHBondContact OG1-O 2.8Å; T78-S82 PolarHBondContact OG1-OG 3.01Å; R80-S82 PolarHBondContact O-N 3.14Å
83F93.4Very high86.1Confident1 Ų157.4 Ų57.40%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-149.8165.8179.556.7-100.2000110.6V27 L29 W42 F50 L74 V77V27-F83 HydrophobicContact CB-CD2 4.31Å; V27-F83 HydrophobicContact CB-CE2 3.94Å; V27-F83 HydrophobicContact CB-CZ 4.14Å; V27-F83 HydrophobicContact CG1-CZ 4.27Å; V27-F83 HydrophobicContact CG2-CD2 4.44Å; V27-F83 HydrophobicContact CG2-CE2 3.92Å; V27-F83 HydrophobicContact CG2-CZ 4.45Å; V27-F83 PolarHBondContact N-O 2.81Å; V27-F83 PolarHBondContact O-N 3.39Å; L29-F83 HydrophobicContact CD1-CD1 4.22Å; L29-F83 HydrophobicContact CD1-CE1 3.47Å; L29-F83 VanDerWaalsContact CD1-CE1 3.47Å; L29-F83 HydrophobicContact CD1-CZ 4Å; W42-F83 AromaticContact CE2-CE1 3.9Å; W42-F83 HydrophobicContact CH2-CE1 4.27Å; W42-F83 HydrophobicContact CH2-CZ 4.48Å; W42-F83 AromaticContact CZ2-CE1 3.5Å; W42-F83 HydrophobicContact CZ2-CE1 3.5Å; W42-F83 VanDerWaalsContact CZ2-CE1 3.5Å; W42-F83 AromaticContact CZ2-CZ 3.92Å; W42-F83 HydrophobicContact CZ2-CZ 3.92Å; F50-F83 AromaticContact CD1-CE2 3.88Å; F50-F83 HydrophobicContact CD1-CE2 3.88Å; F50-F83 AromaticContact CD1-CZ 3.84Å; F50-F83 HydrophobicContact CD1-CZ 3.84Å; F50-F83 HydrophobicContact CD2-CZ 4.02Å; F50-F83 AromaticContact CE1-CE2 3.49Å; F50-F83 HydrophobicContact CE1-CE2 3.49Å; F50-F83 VanDerWaalsContact CE1-CE2 3.49Å; F50-F83 AromaticContact CE1-CZ 3.8Å; F50-F83 HydrophobicContact CE1-CZ 3.8Å; F50-F83 HydrophobicContact CE2-CE2 4.33Å; F50-F83 AromaticContact CE2-CZ 3.96Å; F50-F83 HydrophobicContact CE2-CZ 3.96Å; F50-F83 HydrophobicContact CG-CE2 4.46Å; F50-F83 AromaticContact CG-CZ 3.96Å; F50-F83 HydrophobicContact CG-CZ 3.96Å; F50-F83 AromaticContact CZ-CE2 3.75Å; F50-F83 HydrophobicContact CZ-CE2 3.75Å; F50-F83 AromaticContact CZ-CZ 3.86Å; F50-F83 HydrophobicContact CZ-CZ 3.86Å; L74-F83 HydrophobicContact CD2-CD2 4.21Å; L74-F83 HydrophobicContact CD2-CE2 4.02Å; L74-F83 HydrophobicContact CD2-CZ 4.24Å; L74-F83 HydrophobicContact CG-CD2 3.99Å; L74-F83 HydrophobicContact CG-CE2 4.02Å; V77-F83 HydrophobicContact CB-CB 4.29Å; V77-F83 HydrophobicContact CG2-CB 3.83Å; V77-F83 HydrophobicContact CG2-CG 4.48Å
84W93Very high85.7Confident9 Ų960.1 Ų60.13%0.03431%0.308CS..EExtended strand (participates in β ladder)trans-100144.3167.7-68.690.8000109.3D20 A24 F25 K26 L74 C75D20-W84 HydrophobicContact CB-CH2 4.21Å; D20-W84 HydrophobicContact CB-CZ2 4.32Å; D20-W84 VanDerWaalsContact CG-CZ2 3.41Å; D20-W84 WeakPolarHBondContact OD1-CH2 3.36Å; D20-W84 VanDerWaalsContact OD1-CZ2 3.3Å; D20-W84 WeakPolarHBondContact OD1-CZ2 3.1Å; D20-W84 WeakPolarHBondContact OD2-CZ2 3.47Å; A24-W84 HydrophobicContact CB-CE3 3.81Å; A24-W84 HydrophobicContact CB-CZ3 4.23Å; F25-W84 VanDerWaalsContact C-CE3 3.47Å; F25-W84 CarbonylContact O-C 3.58Å; F25-W84 WeakPolarHBondContact O-CA 3.31Å; K26-W84 HydrophobicContact CB-CD2 3.92Å; K26-W84 HydrophobicContact CB-CE3 3.78Å; K26-W84 HydrophobicContact CB-CH2 3.78Å; K26-W84 HydrophobicContact CB-CZ2 3.94Å; K26-W84 HydrophobicContact CB-CZ3 3.71Å; K26-W84 HydrophobicContact CD-CH2 4.27Å; K26-W84 HydrophobicContact CD-CZ2 3.7Å; K26-W84 HydrophobicContact CG-CD2 4.33Å; K26-W84 HydrophobicContact CG-CZ2 4.25Å; L74-W84 CarbonylContact C-O 3.59Å; L74-W84 WeakPolarHBondContact CA-O 3.36Å; C75-W84 PolarHBondContact N-O 3.05Å; C75-W84 PolarHBondContact O-N 3.05Å
85F93.7Very high85.5Confident0 Ų060.5 Ų60.50%031%0.311CS..EExtended strand (participates in β ladder)trans-128153164.378.6-80.7000112.1F25 V27 F50 V54 L73 L74 V87 V101 I105 F125F25-F85 HydrophobicContact CB-CD1 3.87Å; F25-F85 HydrophobicContact CB-CE1 3.37Å; F25-F85 HydrophobicContact CB-CE2 4.4Å; F25-F85 HydrophobicContact CB-CZ 3.67Å; F25-F85 HydrophobicContact CD2-CE2 4.45Å; F25-F85 HydrophobicContact CD2-CZ 4.29Å; F25-F85 HydrophobicContact CG-CE1 4.27Å; F25-F85 HydrophobicContact CG-CZ 4.09Å; F25-F85 PolarHBondContact N-O 2.93Å; F25-F85 WeakPolarHBondContact O-CD1 3.28Å; F25-F85 PolarHBondContact O-N 2.95Å; V27-F85 HydrophobicContact CG2-CD1 3.47Å; V27-F85 VanDerWaalsContact CG2-CD1 3.47Å; V27-F85 HydrophobicContact CG2-CE1 3.48Å; V27-F85 VanDerWaalsContact CG2-CE1 3.48Å; F50-F85 HydrophobicContact CE1-CB 4.35Å; F50-F85 HydrophobicContact CE1-CD1 4.19Å; F50-F85 HydrophobicContact CE1-CG 4.16Å; F50-F85 HydrophobicContact CZ-CD1 4.13Å; F50-F85 HydrophobicContact CZ-CE1 4.3Å; V54-F85 HydrophobicContact CG1-CD2 4.2Å; V54-F85 HydrophobicContact CG1-CE2 3.98Å; V54-F85 HydrophobicContact CG2-CD2 4.5Å; V54-F85 HydrophobicContact CG2-CE2 4.32Å; L73-F85 CarbonylContact O-C 3.54Å; L73-F85 WeakPolarHBondContact O-CA 3.34Å; L73-F85 WeakPolarHBondContact O-CB 3.38Å; L74-F85 HydrophobicContact CD1-CB 4.2Å; L74-F85 HydrophobicContact CG-CB 4.47Å; F85-V87 HydrophobicContact CD2-CG2 4.24Å; F85-V87 HydrophobicContact CE2-CG2 4.21Å; F85-V101 HydrophobicContact CE2-CG1 4Å; F85-V101 HydrophobicContact CZ-CG1 4.38Å; F85-I105 HydrophobicContact CZ-CG1 4.44Å; F85-F125 AromaticContact CE1-CD1 3.76Å; F85-F125 HydrophobicContact CE1-CD1 3.76Å; F85-F125 AromaticContact CE1-CE1 3.65Å; F85-F125 HydrophobicContact CE1-CE1 3.65Å; F85-F125 HydrophobicContact CZ-CD1 4.13Å; F85-F125 AromaticContact CZ-CE1 3.9Å; F85-F125 HydrophobicContact CZ-CE1 3.9Å
86V92.7Very high85.4Confident0 Ų059.4 Ų59.40%030%0.303CS..EExtended strand (participates in β ladder)trans-133.7143177.3178.80000107.5C17 A24 L73 T95C17-V86 HydrophobicContact CB-CG2 4.39Å; A24-V86 HydrophobicContact CB-CG2 3.69Å; L73-V86 PolarHBondContact N-O 3.45Å; L73-V86 PolarHBondContact O-N 3.03Å; V86-T95 HydrophobicContact CG1-CG2 3.42Å; V86-T95 VanDerWaalsContact CG1-CG2 3.42Å
87V91.9Very high85.5Confident3 Ų357.4 Ų57.42%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-110.9129.9170.8-169.90000108.6V54 M58 T67 H71 F85 T95 L96 V101V54-V87 HydrophobicContact CG1-CG2 3.81Å; M58-V87 HydrophobicContact CG-CG1 4.11Å; M58-V87 HydrophobicContact CG-CG2 4.36Å; T67-V87 HydrophobicContact CG2-CG1 4.27Å; H71-V87 CarbonylContact O-C 3.6Å; H71-V87 WeakPolarHBondContact O-CA 3.28Å; F85-V87 HydrophobicContact CD2-CG2 4.24Å; F85-V87 HydrophobicContact CE2-CG2 4.21Å; V87-T95 WeakPolarHBondContact O-CA 3.44Å; V87-L96 HydrophobicContact CB-CD1 4.11Å; V87-L96 HydrophobicContact CB-CG 4.42Å; V87-L96 HydrophobicContact CG1-CD1 3.55Å; V87-L96 HydrophobicContact CG1-CG 4.21Å; V87-L96 PolarHBondContact O-N 2.97Å; V87-V101 HydrophobicContact CB-CG2 4.23Å; V87-V101 HydrophobicContact CG2-CG1 4.16Å; V87-V101 HydrophobicContact CG2-CG2 4.23Å
88T89.4Confident85.6Confident18 Ų1856.2 Ų56.211%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-98.7156.9177.367.50000111.6L16 H71 L73 H94L16-T88 HydrophobicContact CD2-CG2 3.73Å; H71-T88 WeakPolarHBondContact CA-OG1 3.37Å; H71-T88 WeakPolarHBondContact CB-OG1 3.32Å; H71-T88 PolarHBondContact O-N 3.27Å; H71-T88 PolarHBondContact O-OG1 3.48Å; L73-T88 HydrophobicContact CD1-CG2 4.09Å; L73-T88 HydrophobicContact CG-CG2 4.42Å; T88-H94 WeakPolarHBondContact CA-O 3.41Å
89D85.3Confident85.7Confident17 Ų1757.1 Ų57.19%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-75.6131.2172.6-163-48.1000110.2R64 S91 K92 H94 L96R64-D89 IonicContact CZ-OD2 3.28Å; R64-D89 VanDerWaalsContact NH1-CG 3.33Å; R64-D89 IonicContact NH1-OD1 3.67Å; R64-D89 IonicContact NH1-OD2 2.84Å; R64-D89 PolarHBondContact NH1-OD2 3.36Å; R64-D89 IonicContact NH2-OD2 2.71Å; D89-S91 PolarHBondContact O-N 3.4Å; D89-S91 VanDerWaalsContact OD1-CB 3.32Å; D89-S91 WeakPolarHBondContact OD1-CB 3.31Å; D89-S91 PolarHBondContact OD1-N 2.83Å; D89-S91 PolarHBondContact OD1-OG 3Å; D89-K92 HydrophobicContact CB-CB 4.27Å; D89-K92 WeakPolarHBondContact CB-O 3.43Å; D89-K92 PolarHBondContact O-N 2.96Å; D89-H94 PolarHBondContact N-O 2.88Å; D89-H94 IonicContact OD2-CE1 3.37Å; D89-H94 PolarHBondContact OD2-CE1 2.88Å; D89-H94 IonicContact OD2-NE2 2.86Å; D89-L96 HydrophobicContact CB-CD2 3.72Å
90P77.9Confident86.2Confident44 Ų4450.2 Ų50.229%0.28627%0.272SS..THydrogen-bonded Turntrans-61.3-20173.524.1-34.6000113.6
91S77.2Confident87Confident100 Ų10039.2 Ų39.270%0.69923%0.231SC*.THydrogen-bonded Turntrans-99.6-15.5-174.7-44.20000113.6D89D89-S91 PolarHBondContact O-N 3.4Å; D89-S91 VanDerWaalsContact OD1-CB 3.32Å; D89-S91 WeakPolarHBondContact OD1-CB 3.31Å; D89-S91 PolarHBondContact OD1-N 2.83Å; D89-S91 PolarHBondContact OD1-OG 3Å
92K72.9Confident87.4Confident128 Ų12841.6 Ų41.656%0.55724%0.24SC*.EExtended strand (participates in β ladder)trans-152.4139.6-169.4-66.6174178.3174.90110.1D89 H94D89-K92 HydrophobicContact CB-CB 4.27Å; D89-K92 WeakPolarHBondContact CB-O 3.43Å; D89-K92 PolarHBondContact O-N 2.96Å; K92-H94 VanDerWaalsContact CB-CD2 3.41Å; K92-H94 WeakPolarHBondContact CB-CD2 3.42Å; K92-H94 WeakPolarHBondContact CD-NE2 3.23Å; K92-H94 PolarHBondContact O-N 2.8Å
93N72.8Confident87.4Confident138 Ų13843.4 Ų43.474%0.73825%0.253SS*.EExtended strand (participates in β ladder)trans-74.946.9178.5-62.6-16.1000113.3
94H83Confident87.3Confident74 Ų7443.5 Ų43.534%0.34325%0.254SS..EExtended strand (participates in β ladder)trans-122.3159.4174.367.561.7000111.3T88 D89 K92T88-H94 WeakPolarHBondContact CA-O 3.41Å; D89-H94 PolarHBondContact N-O 2.88Å; D89-H94 IonicContact OD2-CE1 3.37Å; D89-H94 PolarHBondContact OD2-CE1 2.88Å; D89-H94 IonicContact OD2-NE2 2.86Å; K92-H94 VanDerWaalsContact CB-CD2 3.41Å; K92-H94 WeakPolarHBondContact CB-CD2 3.42Å; K92-H94 WeakPolarHBondContact CD-NE2 3.23Å; K92-H94 PolarHBondContact O-N 2.8Å
95T86.6Confident87.4Confident28 Ų2843.1 Ų43.117%0.17225%0.253CS..EExtended strand (participates in β ladder)trans-69.9150.3172.462.60000110.7L16 N23 V86 V87L16-T95 HydrophobicContact CD2-CG2 4.08Å; L16-T95 HydrophobicContact CG-CG2 4.11Å; N23-T95 PolarHBondContact ND2-OG1 3.28Å; V86-T95 HydrophobicContact CG1-CG2 3.42Å; V86-T95 VanDerWaalsContact CG1-CG2 3.42Å; V87-T95 WeakPolarHBondContact O-CA 3.44Å
96L88.4Confident87.3Confident1 Ų149.8 Ų49.81%0.00528%0.278CS..PPolyproline II helixtrans-76.5149173.2-66.9-173.4000111N23 M58 R64 V87 D89 A98 V101N23-L96 WeakPolarHBondContact CB-O 3.33Å; N23-L96 VanDerWaalsContact CG-O 3.25Å; M58-L96 HydrophobicContact CE-CD1 3.55Å; R64-L96 VanDerWaalsContact CZ-CD2 3.44Å; V87-L96 HydrophobicContact CB-CD1 4.11Å; V87-L96 HydrophobicContact CB-CG 4.42Å; V87-L96 HydrophobicContact CG1-CD1 3.55Å; V87-L96 HydrophobicContact CG1-CG 4.21Å; V87-L96 PolarHBondContact O-N 2.97Å; D89-L96 HydrophobicContact CB-CD2 3.72Å; L96-A98 PolarHBondContact O-N 3.4Å; L96-V101 HydrophobicContact CB-CG2 3.9Å
97P90.4Very high87.1Confident55 Ų5557.1 Ų57.136%0.35731%0.314SS..PPolyproline II helixtrans-57.7134.7178-24.534.8000112.1A99 E100 V101P97-A99 PolarHBondContact O-N 2.88Å; P97-A99 VanDerWaalsContact O-N 3.08Å; P97-E100 HydrophobicContact CB-CG 4.41Å; P97-E100 PolarHBondContact O-N 3.31Å; P97-V101 PolarHBondContact O-N 2.69Å
98A89.9Confident87.2Confident35 Ų3558 Ų5829%0.28932%0.318SS..Hα-helixtrans-53.8-34.4-178.500000113.6N23 F25 L96 V101 Q102N23-A98 HydrophobicContact CB-CB 4.48Å; N23-A98 VanDerWaalsContact OD1-CB 3.32Å; N23-A98 WeakPolarHBondContact OD1-CB 3.32Å; N23-A98 PolarHBondContact OD1-N 3.49Å; F25-A98 HydrophobicContact CE2-CB 4.34Å; F25-A98 HydrophobicContact CZ-CB 3.77Å; F25-A98 WeakPolarHBondContact CZ-O 3.38Å; L96-A98 PolarHBondContact O-N 3.4Å; A98-V101 PolarHBondContact O-N 2.88Å; A98-Q102 WeakPolarHBondContact O-CB 3.3Å; A98-Q102 PolarHBondContact O-N 3.38Å
99A89.9Confident87.2Confident69 Ų6957.3 Ų57.357%0.5731%0.314SS*.Hα-helixtrans-66.1-38.2177.900000113.4P97 S103P97-A99 PolarHBondContact O-N 2.88Å; P97-A99 VanDerWaalsContact O-N 3.08Å; A99-S103 WeakPolarHBondContact O-CB 3.38Å; A99-S103 PolarHBondContact O-N 3.18Å; A99-S103 PolarHBondContact O-OG 2.77Å
100E90.9Very high87.5Confident56 Ų5662.1 Ų62.126%0.26234%0.339SS..Hα-helixtrans-63.8-50.3174.7-70.7-179.3-144.500109.8R64 P97 Q102 S103 A104R64-E100 IonicContact CZ-OE2 3.45Å; R64-E100 VanDerWaalsContact CZ-OE2 3.28Å; R64-E100 IonicContact NE-OE2 3.23Å; R64-E100 PolarHBondContact NE-OE2 2.99Å; R64-E100 IonicContact NH2-OE1 3.86Å; R64-E100 PolarHBondContact NH2-OE1 2.88Å; R64-E100 IonicContact NH2-OE2 2.81Å; R64-E100 PolarHBondContact NH2-OE2 3.39Å; P97-E100 HydrophobicContact CB-CG 4.41Å; P97-E100 PolarHBondContact O-N 3.31Å; E100-Q102 PolarHBondContact O-N 3.04Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 3.19Å; E100-A104 WeakPolarHBondContact O-CB 3.37Å; E100-A104 PolarHBondContact O-N 2.87Å
101V92.2Very high88.2Confident1 Ų166.9 Ų66.91%0.00635%0.352CS..Hα-helixtrans-64.7-43.5-179.5-176.70000111.5F25 M58 F85 V87 L96 P97 A98 S103 A104 I105F25-V101 HydrophobicContact CD2-CG1 3.98Å; F25-V101 HydrophobicContact CE2-CB 3.71Å; F25-V101 HydrophobicContact CE2-CG1 3.65Å; F25-V101 HydrophobicContact CE2-CG2 4.36Å; F25-V101 HydrophobicContact CZ-CB 4.06Å; F25-V101 HydrophobicContact CZ-CG1 4.21Å; M58-V101 HydrophobicContact CE-CG2 4.35Å; M58-V101 HydrophobicContact SD-CB 4.33Å; M58-V101 HydrophobicContact SD-CG1 4.34Å; M58-V101 HydrophobicContact SD-CG2 4.11Å; F85-V101 HydrophobicContact CE2-CG1 4Å; F85-V101 HydrophobicContact CZ-CG1 4.38Å; V87-V101 HydrophobicContact CB-CG2 4.23Å; V87-V101 HydrophobicContact CG2-CG1 4.16Å; V87-V101 HydrophobicContact CG2-CG2 4.23Å; L96-V101 HydrophobicContact CB-CG2 3.9Å; P97-V101 PolarHBondContact O-N 2.69Å; A98-V101 PolarHBondContact O-N 2.88Å; V101-S103 PolarHBondContact O-N 3.39Å; V101-A104 PolarHBondContact O-N 2.78Å; V101-I105 HydrophobicContact CG1-CG1 4.31Å; V101-I105 WeakPolarHBondContact O-CB 3.03Å; V101-I105 VanDerWaalsContact O-CG1 3.31Å; V101-I105 WeakPolarHBondContact O-CG1 3.37Å; V101-I105 PolarHBondContact O-N 2.94Å
102Q92.5Very high89Confident72 Ų7262.1 Ų62.134%0.33632%0.319SS..Hα-helixtrans-60.6-44178-176.2-173.546.400111.6F25 A98 E100 R106 K127 I128F25-Q102 HydrophobicContact CE1-CB 4.42Å; F25-Q102 HydrophobicContact CZ-CB 4.5Å; A98-Q102 WeakPolarHBondContact O-CB 3.3Å; A98-Q102 PolarHBondContact O-N 3.38Å; E100-Q102 PolarHBondContact O-N 3.04Å; Q102-R106 WeakPolarHBondContact O-CB 3.41Å; Q102-R106 PolarHBondContact O-N 3.11Å; Q102-K127 PolarHBondContact NE2-O 3.22Å; Q102-I128 HydrophobicContact CB-CG1 4.47Å; Q102-I128 HydrophobicContact CG-CB 4.32Å; Q102-I128 HydrophobicContact CG-CG1 4.06Å; Q102-I128 HydrophobicContact CG-CG2 3.99Å
103S90.9Very high90Very high63 Ų6356.4 Ų56.444%0.44129%0.294SS..Hα-helixtrans-69.5-40.6178.161.10000112.5A99 E100 V101 R106 M107A99-S103 WeakPolarHBondContact O-CB 3.38Å; A99-S103 PolarHBondContact O-N 3.18Å; A99-S103 PolarHBondContact O-OG 2.77Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 3.19Å; V101-S103 PolarHBondContact O-N 3.39Å; S103-R106 PolarHBondContact O-N 3.46Å; S103-M107 WeakPolarHBondContact O-CB 3.4Å; S103-M107 PolarHBondContact O-N 3.47Å
104A92.4Very high91Very high3 Ų353.1 Ų53.13%0.02528%0.282CS..Hα-helixtrans-58.1-50.1176.200000112.7M58 V61 E100 V101 N108M58-A104 HydrophobicContact CE-CB 4.34Å; M58-A104 HydrophobicContact SD-CB 3.53Å; M58-A104 VanDerWaalsContact SD-CB 3.53Å; V61-A104 HydrophobicContact CG2-CB 3.43Å; V61-A104 VanDerWaalsContact CG2-CB 3.43Å; E100-A104 WeakPolarHBondContact O-CB 3.37Å; E100-A104 PolarHBondContact O-N 2.87Å; V101-A104 PolarHBondContact O-N 2.78Å; A104-N108 PolarHBondContact O-N 2.87Å; A104-N108 PolarHBondContact O-ND2 2.69Å
105I93.8Very high91.5Very high0 Ų051.4 Ų51.40%028%0.28CS..Hα-helixtrans-67.7-42178.3-63.9-64.4000110.5V54 F85 V101 M107 N108 R109 I112 F125 I128V54-I105 HydrophobicContact CB-CD1 4.46Å; V54-I105 HydrophobicContact CG1-CD1 4.32Å; V54-I105 HydrophobicContact CG2-CD1 4.04Å; F85-I105 HydrophobicContact CZ-CG1 4.44Å; V101-I105 HydrophobicContact CG1-CG1 4.31Å; V101-I105 WeakPolarHBondContact O-CB 3.03Å; V101-I105 VanDerWaalsContact O-CG1 3.31Å; V101-I105 WeakPolarHBondContact O-CG1 3.37Å; V101-I105 PolarHBondContact O-N 2.94Å; I105-M107 PolarHBondContact O-N 3.25Å; I105-N108 CarbonylContact O-C 3.59Å; I105-N108 PolarHBondContact O-N 2.84Å; I105-R109 VanDerWaalsContact O-CA 3.3Å; I105-R109 WeakPolarHBondContact O-CA 2.93Å; I105-R109 WeakPolarHBondContact O-CB 3.38Å; I105-R109 PolarHBondContact O-N 3.24Å; I105-I112 HydrophobicContact CD1-CD1 3.83Å; I105-I112 HydrophobicContact CG2-CD1 4.1Å; I105-F125 HydrophobicContact CG2-CD1 4.1Å; I105-F125 HydrophobicContact CG2-CE1 3.79Å; I105-F125 HydrophobicContact CG2-CE2 4.25Å; I105-F125 HydrophobicContact CG2-CG 4.49Å; I105-F125 HydrophobicContact CG2-CZ 3.86Å; I105-I128 HydrophobicContact CB-CD1 3.82Å; I105-I128 HydrophobicContact CG1-CD1 4.21Å; I105-I128 HydrophobicContact CG2-CD1 3.71Å
106R91.5Very high91.9Very high141 Ų14150.1 Ų50.153%0.53227%0.272SS..Hα-helixtrans-60.6-42.6177-176.6177.4176.6164.91.3112.2Q102 S103 N108 R109 I128 T131Q102-R106 WeakPolarHBondContact O-CB 3.41Å; Q102-R106 PolarHBondContact O-N 3.11Å; S103-R106 PolarHBondContact O-N 3.46Å; R106-N108 VanDerWaalsContact C-N 3.32Å; R106-N108 PolarHBondContact O-N 2.88Å; R106-R109 PolarHBondContact O-N 3Å; R106-I128 HydrophobicContact CB-CG2 4.36Å; R106-T131 HydrophobicContact CG-CG2 3.83Å
107M90.4Very high92.2Very high154 Ų15457.6 Ų57.676%0.75931%0.305SS*.Hα-helixtrans-66-34.4179.6-173176.8-173.700112.6S103 I105S103-M107 WeakPolarHBondContact O-CB 3.4Å; S103-M107 PolarHBondContact O-N 3.47Å; I105-M107 PolarHBondContact O-N 3.25Å
108N91.9Very high92.3Very high20 Ų2055.1 Ų55.111%0.10729%0.289CS..Hα-helixtrans-101.14.3-177.7-66.1-81.6000113.5S57 A104 I105 R106 N110 R111 I112S57-N108 VanDerWaalsContact OG-CB 3.32Å; S57-N108 WeakPolarHBondContact OG-CB 3.3Å; A104-N108 PolarHBondContact O-N 2.87Å; A104-N108 PolarHBondContact O-ND2 2.69Å; I105-N108 CarbonylContact O-C 3.59Å; I105-N108 PolarHBondContact O-N 2.84Å; R106-N108 VanDerWaalsContact C-N 3.32Å; R106-N108 PolarHBondContact O-N 2.88Å; N108-N110 PolarHBondContact O-N 2.9Å; N108-R111 WeakPolarHBondContact O-CA 3.14Å; N108-R111 WeakPolarHBondContact O-CB 3.06Å; N108-R111 PolarHBondContact O-N 3.46Å; N108-I112 HydrophobicContact CB-CD1 4.48Å; N108-I112 PolarHBondContact O-N 3.19Å
109R91.1Very high92.4Very high4 Ų458.2 Ų58.22%0.01530%0.3CS..Hα-helixtrans-52.5-49.9-169-171.562.6170.2-82.8-5.8112.8I105 R106 R111 I112 N113 D120 L123 F125 T131I105-R109 VanDerWaalsContact O-CA 3.3Å; I105-R109 WeakPolarHBondContact O-CA 2.93Å; I105-R109 WeakPolarHBondContact O-CB 3.38Å; I105-R109 PolarHBondContact O-N 3.24Å; R106-R109 PolarHBondContact O-N 3Å; R109-R111 PolarHBondContact O-N 2.93Å; R109-I112 PolarHBondContact O-N 3.37Å; R109-I112 VanDerWaalsContact O-N 3.11Å; R109-N113 PolarHBondContact NE-OD1 3.4Å; R109-N113 VanDerWaalsContact O-CB 3.28Å; R109-N113 WeakPolarHBondContact O-CB 3.19Å; R109-N113 PolarHBondContact O-N 2.89Å; R109-N113 PolarHBondContact O-OD1 2.84Å; R109-D120 WeakPolarHBondContact CG-OD1 3.36Å; R109-D120 IonicContact CZ-OD1 3.82Å; R109-D120 VanDerWaalsContact CZ-OD1 3.23Å; R109-D120 IonicContact NE-OD1 3.45Å; R109-D120 PolarHBondContact NE-OD1 2.89Å; R109-D120 IonicContact NH2-OD1 3.93Å; R109-D120 PolarHBondContact NH2-OD1 3.45Å; R109-L123 PolarHBondContact NH2-O 3.45Å; R109-F125 VanDerWaalsContact CZ-CD2 3.43Å; R109-T131 HydrophobicContact CB-CG2 3.81Å; R109-T131 HydrophobicContact CG-CG2 4.08Å; R109-T131 WeakPolarHBondContact CG-OG1 3.23Å
110N91.3Very high92.3Very high118 Ų11855.2 Ų55.263%0.63128%0.275SS*.Hα-helixtrans-54.5-37.3176.1-17750.5000113.3N108 S114N108-N110 PolarHBondContact O-N 2.9Å; N110-S114 VanDerWaalsContact O-CB 3.28Å; N110-S114 WeakPolarHBondContact O-CB 3.38Å; N110-S114 PolarHBondContact O-N 3.05Å; N110-S114 PolarHBondContact O-OG 3.03Å
111R92.5Very high92.1Very high145 Ų14558.2 Ų58.255%0.54729%0.289SS..Hα-helixtrans-77.9-33.8-179.8-171.2-178.6165.4144.3-3.3112.2M53 F56 N108 R109 A115M53-R111 HydrophobicContact CE-CG 4.03Å; M53-R111 WeakPolarHBondContact CE-O 3.45Å; F56-R111 VanDerWaalsContact CZ-CZ 3.41Å; N108-R111 WeakPolarHBondContact O-CA 3.14Å; N108-R111 WeakPolarHBondContact O-CB 3.06Å; N108-R111 PolarHBondContact O-N 3.46Å; R109-R111 PolarHBondContact O-N 2.93Å; R111-A115 WeakPolarHBondContact O-CB 3.4Å; R111-A115 PolarHBondContact O-N 2.86Å; R111-A115 VanDerWaalsContact O-N 3.14Å
112I94.4Very high92.1Very high0 Ų058.8 Ų58.80%029%0.292CS..Hα-helixtrans-64.6-54.5171.8-58168.6000109.1M53 I105 N108 R109 S114 A115 F116 L123M53-I112 HydrophobicContact CE-CG1 4.15Å; I105-I112 HydrophobicContact CD1-CD1 3.83Å; I105-I112 HydrophobicContact CG2-CD1 4.1Å; N108-I112 HydrophobicContact CB-CD1 4.48Å; N108-I112 PolarHBondContact O-N 3.19Å; R109-I112 PolarHBondContact O-N 3.37Å; R109-I112 VanDerWaalsContact O-N 3.11Å; I112-S114 VanDerWaalsContact C-N 3.34Å; I112-S114 PolarHBondContact O-N 2.71Å; I112-A115 WeakPolarHBondContact O-CB 3.31Å; I112-A115 PolarHBondContact O-N 3.49Å; I112-F116 HydrophobicContact CG2-CD2 4.17Å; I112-F116 HydrophobicContact CG2-CE2 4.12Å; I112-F116 VanDerWaalsContact O-CD2 3.31Å; I112-F116 WeakPolarHBondContact O-CD2 3.49Å; I112-F116 PolarHBondContact O-N 3.26Å; I112-L123 HydrophobicContact CG2-CD2 3.81Å
113N93.4Very high92.1Very high8 Ų855.4 Ų55.44%0.04328%0.276CS..Hα-helixtrans-46.9-54.2173.5-75.617.5000112R109 A115 F116 F117 L118 D120R109-N113 PolarHBondContact NE-OD1 3.4Å; R109-N113 VanDerWaalsContact O-CB 3.28Å; R109-N113 WeakPolarHBondContact O-CB 3.19Å; R109-N113 PolarHBondContact O-N 2.89Å; R109-N113 PolarHBondContact O-OD1 2.84Å; N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 3.31Å; N113-F116 PolarHBondContact O-N 3.45Å; N113-F117 PolarHBondContact O-N 3.45Å; N113-F117 VanDerWaalsContact O-N 3.11Å; N113-L118 CarbonylContact C-O 3.54Å; N113-L118 VanDerWaalsContact C-O 3.28Å; N113-L118 WeakPolarHBondContact CA-O 3.42Å; N113-L118 WeakPolarHBondContact CB-O 3.4Å; N113-L118 PolarHBondContact O-N 2.02Å; N113-D120 PolarHBondContact ND2-N 2.96Å; N113-D120 PolarHBondContact ND2-OD1 3.08Å
114S92.8Very high92.1Very high69 Ų6955.8 Ų55.848%0.48327%0.271SS..Hα-helixtrans-60.5-33.3178.9-60.30000113.9N110 I112 F116N110-S114 VanDerWaalsContact O-CB 3.28Å; N110-S114 WeakPolarHBondContact O-CB 3.38Å; N110-S114 PolarHBondContact O-N 3.05Å; N110-S114 PolarHBondContact O-OG 3.03Å; I112-S114 VanDerWaalsContact C-N 3.34Å; I112-S114 PolarHBondContact O-N 2.71Å; S114-F116 VanDerWaalsContact C-N 3.31Å; S114-F116 PolarHBondContact O-N 3.45Å
115A95.1Very high92Very high37 Ų3755.9 Ų55.931%0.30627%0.271SS..Hα-helixtrans-70.3-28.5-179.700000112.9M53 R111 I112 N113M53-A115 HydrophobicContact CE-CB 4.04Å; M53-A115 HydrophobicContact CG-CB 4.32Å; M53-A115 HydrophobicContact SD-CB 4.27Å; R111-A115 WeakPolarHBondContact O-CB 3.4Å; R111-A115 PolarHBondContact O-N 2.86Å; R111-A115 VanDerWaalsContact O-N 3.14Å; I112-A115 WeakPolarHBondContact O-CB 3.31Å; I112-A115 PolarHBondContact O-N 3.49Å; N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 3.31Å
116F94.6Very high91.7Very high1 Ų159.9 Ų59.90%0.00429%0.292CS..Hα-helixtrans-100.4-1178.9-68.5-68.1000113.6Y40 W42 E46 L49 F50 M53 I112 N113 S114 L118 L123Y40-F116 WeakPolarHBondContact CE1-O 3.45Å; Y40-F116 PolarHBondContact OH-O 3.5Å; W42-F116 HydrophobicContact CH2-CE1 4.01Å; W42-F116 HydrophobicContact CH2-CZ 4.36Å; W42-F116 HydrophobicContact CZ3-CD1 4.04Å; W42-F116 AromaticContact CZ3-CE1 3.91Å; W42-F116 HydrophobicContact CZ3-CE1 3.91Å; E46-F116 WeakPolarHBondContact OE2-CD1 3.33Å; E46-F116 VanDerWaalsContact OE2-CE1 3.25Å; E46-F116 WeakPolarHBondContact OE2-CE1 3.17Å; L49-F116 HydrophobicContact CB-CE1 4.28Å; L49-F116 HydrophobicContact CB-CZ 4.29Å; L49-F116 HydrophobicContact CD2-CD1 4.36Å; L49-F116 HydrophobicContact CD2-CE1 3.76Å; L49-F116 HydrophobicContact CD2-CZ 4.17Å; L49-F116 HydrophobicContact CG-CE1 3.91Å; L49-F116 HydrophobicContact CG-CZ 3.85Å; F50-F116 HydrophobicContact CB-CE2 4.49Å; F50-F116 HydrophobicContact CB-CZ 3.83Å; F50-F116 HydrophobicContact CD2-CE2 4.07Å; F50-F116 HydrophobicContact CD2-CZ 4.2Å; M53-F116 HydrophobicContact CG-CE2 4.41Å; I112-F116 HydrophobicContact CG2-CD2 4.17Å; I112-F116 HydrophobicContact CG2-CE2 4.12Å; I112-F116 VanDerWaalsContact O-CD2 3.31Å; I112-F116 WeakPolarHBondContact O-CD2 3.49Å; I112-F116 PolarHBondContact O-N 3.26Å; N113-F116 PolarHBondContact O-N 3.45Å; S114-F116 VanDerWaalsContact C-N 3.31Å; S114-F116 PolarHBondContact O-N 3.45Å; F116-L118 VanDerWaalsContact C-N 3.25Å; F116-L118 HydrophobicContact CB-CB 4.36Å; F116-L118 HydrophobicContact CB-CD1 3.95Å; F116-L118 HydrophobicContact CB-CG 3.9Å; F116-L118 PolarHBondContact O-N 3.23Å; F116-L123 HydrophobicContact CD2-CD2 4.49Å
117F93.9Very high91.3Very high158 Ų15857.8 Ų57.869%0.69329%0.287SS*.THydrogen-bonded Turntrans54.640.1-169.6-53.2-84.8000112.9L35 N113L35-F117 HydrophobicContact CD2-CB 4.1Å; N113-F117 PolarHBondContact O-N 3.45Å; N113-F117 VanDerWaalsContact O-N 3.11Å
118L93.2Very high91Very high3 Ų350.8 Ų50.82%0.01625%0.252CS..  trans-122.8143.2-179.3-62.3-178.8000111.2L29 A34 N113 F116 T122 L123L29-L118 HydrophobicContact CD2-CD1 3.75Å; L29-L118 HydrophobicContact CG-CD1 4.41Å; A34-L118 HydrophobicContact CB-CD2 3.48Å; A34-L118 VanDerWaalsContact CB-CD2 3.48Å; N113-L118 CarbonylContact C-O 3.54Å; N113-L118 VanDerWaalsContact C-O 3.28Å; N113-L118 WeakPolarHBondContact CA-O 3.42Å; N113-L118 WeakPolarHBondContact CB-O 3.4Å; N113-L118 PolarHBondContact O-N 2.02Å; F116-L118 VanDerWaalsContact C-N 3.25Å; F116-L118 HydrophobicContact CB-CB 4.36Å; F116-L118 HydrophobicContact CB-CD1 3.95Å; F116-L118 HydrophobicContact CB-CG 3.9Å; F116-L118 PolarHBondContact O-N 3.23Å; L118-T122 WeakPolarHBondContact CB-OG1 3.36Å; L118-L123 HydrophobicContact CB-CB 3.97Å; L118-L123 HydrophobicContact CD1-CB 4.07Å
119D90.8Very high90.3Very high100 Ų10052.8 Ų52.854%0.53527%0.267SS..  trans-91.9168.1172.4-64.5-49.9000112.6H121 T122 L123 L132D119-H121 PolarHBondContact O-N 3Å; D119-T122 PolarHBondContact N-OG1 3.42Å; D119-T122 CarbonylContact O-C 3.6Å; D119-T122 WeakPolarHBondContact O-CA 3.41Å; D119-T122 PolarHBondContact O-N 3.22Å; D119-T122 PolarHBondContact O-OG1 3.48Å; D119-L123 PolarHBondContact O-N 2.96Å; D119-L132 HydrophobicContact CB-CD1 4.47Å
120D88.6Confident89.6Confident6 Ų656 Ų563%0.03229%0.289CS..THydrogen-bonded Turntrans-56.9-24.3179.6-86.5-14.6000114.6R109 N113 T131 L132R109-D120 WeakPolarHBondContact CG-OD1 3.36Å; R109-D120 IonicContact CZ-OD1 3.82Å; R109-D120 VanDerWaalsContact CZ-OD1 3.23Å; R109-D120 IonicContact NE-OD1 3.45Å; R109-D120 PolarHBondContact NE-OD1 2.89Å; R109-D120 IonicContact NH2-OD1 3.93Å; R109-D120 PolarHBondContact NH2-OD1 3.45Å; N113-D120 PolarHBondContact ND2-N 2.96Å; N113-D120 PolarHBondContact ND2-OD1 3.08Å; D120-T131 WeakPolarHBondContact OD2-CA 3.46Å; D120-T131 PolarHBondContact OD2-N 2.93Å; D120-T131 PolarHBondContact OD2-OG1 2.78Å; D120-L132 HydrophobicContact CB-CB 4.44Å; D120-L132 HydrophobicContact CB-CD1 3.91Å; D120-L132 HydrophobicContact CB-CG 3.9Å; D120-L132 PolarHBondContact OD2-N 3.28Å
121H87.3Confident88.7Confident119 Ų11953 Ų5355%0.55128%0.276SS*.THydrogen-bonded Turntrans-79.9-19174.5-60.1-62.2000113.4D119D119-H121 PolarHBondContact O-N 3Å
122T91.2Very high87.5Confident14 Ų1449.7 Ų49.79%0.08627%0.268CS..THydrogen-bonded Turntrans-110.6-21.1-176.963.60000112.7L29 S30 A34 L118 D119L29-T122 CarbonylContact C-O 3.28Å; L29-T122 WeakPolarHBondContact CA-O 3.35Å; S30-T122 PolarHBondContact N-O 2.9Å; A34-T122 HydrophobicContact CB-CG2 4.01Å; L118-T122 WeakPolarHBondContact CB-OG1 3.36Å; D119-T122 PolarHBondContact N-OG1 3.42Å; D119-T122 CarbonylContact O-C 3.6Å; D119-T122 WeakPolarHBondContact O-CA 3.41Å; D119-T122 PolarHBondContact O-N 3.22Å; D119-T122 PolarHBondContact O-OG1 3.48Å
123L92.7Very high86Confident0 Ų053.5 Ų53.50%030%0.3CS..EExtended strand (participates in β ladder)trans-113.685.3166.4-179.660.3000108.8V27 L29 R109 I112 F116 L118 D119 F125V27-L123 HydrophobicContact CG1-CD1 3.63Å; L29-L123 HydrophobicContact CD1-CD1 4.19Å; L29-L123 HydrophobicContact CD2-CD1 3.72Å; L29-L123 HydrophobicContact CG-CD1 3.59Å; R109-L123 PolarHBondContact NH2-O 3.45Å; I112-L123 HydrophobicContact CG2-CD2 3.81Å; F116-L123 HydrophobicContact CD2-CD2 4.49Å; L118-L123 HydrophobicContact CB-CB 3.97Å; L118-L123 HydrophobicContact CD1-CB 4.07Å; D119-L123 PolarHBondContact O-N 2.96Å; L123-F125 HydrophobicContact CD1-CE2 4.19Å; L123-F125 HydrophobicContact CD2-CE2 3.98Å; L123-F125 HydrophobicContact CG-CD2 4.35Å; L123-F125 HydrophobicContact CG-CE2 3.72Å
124E91.1Very high84.6Confident71 Ų7158.5 Ų58.533%0.33233%0.333SS..EExtended strand (participates in β ladder)trans-89135.9-179.1-59.9-174.1152.700111.5V27 R28V27-E124 CarbonylContact C-O 3.55Å; V27-E124 VanDerWaalsContact CA-O 3.32Å; V27-E124 WeakPolarHBondContact CA-O 3.33Å; R28-E124 HydrophobicContact CB-CB 4.29Å; R28-E124 WeakPolarHBondContact CD-OE2 3.37Å; R28-E124 PolarHBondContact N-O 2.94Å; R28-E124 IonicContact NH1-OE2 3.64Å; R28-E124 PolarHBondContact NH1-OE2 3.01Å; R28-E124 PolarHBondContact O-N 3.33Å
125F91.4Very high83.6Confident5 Ų559.7 Ų59.72%0.02234%0.339CS..EExtended strand (participates in β ladder)trans-117.6106.5170.5-71.3-106.5000107.9V27 F50 F85 I105 R109 L123 K127 I128V27-F125 HydrophobicContact CG2-CD1 3.84Å; V27-F125 HydrophobicContact CG2-CE1 3.89Å; V27-F125 HydrophobicContact CG2-CG 4.5Å; F50-F125 HydrophobicContact CE2-CZ 4.21Å; F50-F125 HydrophobicContact CZ-CE1 4.23Å; F50-F125 HydrophobicContact CZ-CZ 4.37Å; F85-F125 AromaticContact CE1-CD1 3.76Å; F85-F125 HydrophobicContact CE1-CD1 3.76Å; F85-F125 AromaticContact CE1-CE1 3.65Å; F85-F125 HydrophobicContact CE1-CE1 3.65Å; F85-F125 HydrophobicContact CZ-CD1 4.13Å; F85-F125 AromaticContact CZ-CE1 3.9Å; F85-F125 HydrophobicContact CZ-CE1 3.9Å; I105-F125 HydrophobicContact CG2-CD1 4.1Å; I105-F125 HydrophobicContact CG2-CE1 3.79Å; I105-F125 HydrophobicContact CG2-CE2 4.25Å; I105-F125 HydrophobicContact CG2-CG 4.49Å; I105-F125 HydrophobicContact CG2-CZ 3.86Å; R109-F125 VanDerWaalsContact CZ-CD2 3.43Å; L123-F125 HydrophobicContact CD1-CE2 4.19Å; L123-F125 HydrophobicContact CD2-CE2 3.98Å; L123-F125 HydrophobicContact CG-CD2 4.35Å; L123-F125 HydrophobicContact CG-CE2 3.72Å; F125-K127 PolarHBondContact O-N 3.37Å; F125-I128 HydrophobicContact CB-CB 3.74Å; F125-I128 HydrophobicContact CB-CD1 4.01Å; F125-I128 HydrophobicContact CB-CG1 3.89Å; F125-I128 HydrophobicContact CD1-CD1 3.82Å; F125-I128 HydrophobicContact CG-CD1 4.18Å; F125-I128 PolarHBondContact O-N 2.97Å
126L85.9Confident82.4Confident85 Ų8564.1 Ų64.145%0.44537%0.365SS..THydrogen-bonded Turntrans-61-26.5-164-68.5-172.7000115.7K26K26-L126 HydrophobicContact CB-CB 4.48Å; K26-L126 HydrophobicContact CB-CD1 3.98Å; K26-L126 HydrophobicContact CB-CG 4.26Å; K26-L126 HydrophobicContact CD-CD1 3.8Å; K26-L126 HydrophobicContact CG-CD1 4.05Å; K26-L126 PolarHBondContact O-N 2.98Å
127K84.4Confident81.2Confident96 Ų9671.5 Ų71.542%0.41740%0.404SS..THydrogen-bonded Turntrans-100.84.7177.7-61.2176.8-178.6170.70112.8A24 F25 Q102 F125A24-K127 PolarHBondContact O-NZ 2.78Å; F25-K127 HydrophobicContact CD1-CB 3.88Å; F25-K127 HydrophobicContact CD1-CD 4.39Å; F25-K127 HydrophobicContact CE1-CB 3.94Å; Q102-K127 PolarHBondContact NE2-O 3.22Å; F125-K127 PolarHBondContact O-N 3.37Å
128I83.3Confident80.2Confident7 Ų767.2 Ų67.24%0.03640%0.398CS..SBendtrans-126111-174.6-45.3-175.7000109F25 Q102 I105 R106 F125F25-I128 HydrophobicContact CD1-CD1 3.89Å; F25-I128 HydrophobicContact CD1-CG1 3.82Å; F25-I128 HydrophobicContact CE1-CD1 4.07Å; F25-I128 HydrophobicContact CE1-CG1 3.89Å; Q102-I128 HydrophobicContact CB-CG1 4.47Å; Q102-I128 HydrophobicContact CG-CB 4.32Å; Q102-I128 HydrophobicContact CG-CG1 4.06Å; Q102-I128 HydrophobicContact CG-CG2 3.99Å; I105-I128 HydrophobicContact CB-CD1 3.82Å; I105-I128 HydrophobicContact CG1-CD1 4.21Å; I105-I128 HydrophobicContact CG2-CD1 3.71Å; R106-I128 HydrophobicContact CB-CG2 4.36Å; F125-I128 HydrophobicContact CB-CB 3.74Å; F125-I128 HydrophobicContact CB-CD1 4.01Å; F125-I128 HydrophobicContact CB-CG1 3.89Å; F125-I128 HydrophobicContact CD1-CD1 3.82Å; F125-I128 HydrophobicContact CG-CD1 4.18Å; F125-I128 PolarHBondContact O-N 2.97Å
129P78.5Confident79.5Confident63 Ų6373.1 Ų73.141%0.40944%0.439SS..  trans-59.5152.2-17726.1-34.7000111.7
130S74.8Confident79.1Confident70 Ų7071.9 Ų71.949%0.4944%0.436SS..  trans-61.1150.2173.951.30000111.4
131T74Confident79.1Confident57 Ų5775.4 Ų75.435%0.3546%0.459SS..  trans-99.8-22.9175.852.70000113.2R106 R109 D120 A133R106-T131 HydrophobicContact CG-CG2 3.83Å; R109-T131 HydrophobicContact CB-CG2 3.81Å; R109-T131 HydrophobicContact CG-CG2 4.08Å; R109-T131 WeakPolarHBondContact CG-OG1 3.23Å; D120-T131 WeakPolarHBondContact OD2-CA 3.46Å; D120-T131 PolarHBondContact OD2-N 2.93Å; D120-T131 PolarHBondContact OD2-OG1 2.78Å; T131-A133 PolarHBondContact O-N 3.49Å
132L65.7Low79.2Confident74 Ų7474.4 Ų74.439%0.38746%0.461SS..SBendtrans-58.8133.9167.9-66.6-176.3000110.4D119 D120D119-L132 HydrophobicContact CB-CD1 4.47Å; D120-L132 HydrophobicContact CB-CB 4.44Å; D120-L132 HydrophobicContact CB-CD1 3.91Å; D120-L132 HydrophobicContact CB-CG 3.9Å; D120-L132 PolarHBondContact OD2-N 3.28Å
133A62.8Low79.2Confident81 Ų8182.9 Ų82.967%0.66949%0.491SS*.PPolyproline II helixtrans-60.2151.6164.900000109.4T131T131-A133 PolarHBondContact O-N 3.49Å
134P64.1Low79.2Confident112 Ų11287.6 Ų87.673%0.72752%0.516SS*.PPolyproline II helixtrans-50.6144.6167.1-2333.4000109.9
135P71.4Confident79.2Confident94 Ų9488.9 Ų88.961%0.6152%0.523SS*.PPolyproline II helixtrans-48.9131.8171.7-26.634.9000109.4D137P135-D137 PolarHBondContact O-N 3.35Å
136P70.4Confident79.4Confident131 Ų13192 Ų9285%0.85154%0.543SS*.  trans-62.9114.2-176.624.5-32.9000109.1A138P136-A138 PolarHBondContact O-N 2.95Å
137D70.3Confident79.8Confident155 Ų15593.2 Ų93.283%0.82955%0.545SS*.  trans-55.2138.6173.1-72-47000109.3P135 S139P135-D137 PolarHBondContact O-N 3.35Å; D137-S139 PolarHBondContact O-N 3.06Å; D137-S139 VanDerWaalsContact O-N 3.14Å
138A72.6Confident80.3Confident68 Ų6890.4 Ų90.456%0.56254%0.543SS*.  trans-58.1123.1176.600000109.2P136 V140P136-A138 PolarHBondContact O-N 2.95Å; A138-V140 CarbonylContact O-C 3.55Å; A138-V140 PolarHBondContact O-N 3.39Å
139S78.1Confident81Confident127 Ų12794 Ų9489%0.88857%0.565SS**SBendtrans-57.9-17.8-174.955.70000114.1D137D137-S139 PolarHBondContact O-N 3.06Å; D137-S139 VanDerWaalsContact O-N 3.14Å
140V82.8Confident81.9Confident75 Ų7595.7 Ų95.746%0.45557%0.57SS.*SBendtrans-130.6135.7164-73.20000110A138 V142 I145A138-V140 CarbonylContact O-C 3.55Å; A138-V140 PolarHBondContact O-N 3.39Å; V140-V142 PolarHBondContact O-N 3.22Å; V140-I145 HydrophobicContact CG2-CD1 3.96Å; V140-I145 HydrophobicContact CG2-CG1 4.28Å
141P88.6Confident82.9Confident80 Ų8098.1 Ų98.152%0.51957%0.572SS.*  trans-57.2126.1171.7-25.633.1000111.7W143 I144P141-W143 PolarHBondContact O-N 3.35Å; P141-I144 HydrophobicContact CB-CD1 4.28Å; P141-I144 HydrophobicContact CB-CG1 4.26Å; P141-I144 HydrophobicContact CG-CD1 4.09Å; P141-I144 WeakPolarHBondContact O-CB 3.43Å; P141-I144 PolarHBondContact O-N 2.97Å
142V89.3Confident84Confident98 Ų9899.1 Ų99.159%0.59458%0.58SS**Hα-helixtrans-52.5-35.6-176.3179.60000112.4V140 I144 I145 V146V140-V142 PolarHBondContact O-N 3.22Å; V142-I144 VanDerWaalsContact C-N 3.28Å; V142-I144 PolarHBondContact O-N 2.92Å; V142-I145 WeakPolarHBondContact O-CB 3.49Å; V142-I145 PolarHBondContact O-N 3.23Å; V142-I145 VanDerWaalsContact O-N 3.15Å; V142-V146 PolarHBondContact O-N 2.91Å
143W91.5Very high85.5Confident192 Ų192100.9 Ų100.973%0.72759%0.589SS**Hα-helixtrans-62.3-29.7178.5-173.773.2000113.8P141 V146 F147P141-W143 PolarHBondContact O-N 3.35Å; W143-V146 PolarHBondContact O-N 2.94Å; W143-F147 WeakPolarHBondContact O-CB 3.41Å; W143-F147 PolarHBondContact O-N 3.45Å
144I92.1Very high87.1Confident99 Ų99100.3 Ų100.351%0.50858%0.577SS.*Hα-helixtrans-67.7-38176-63.3-178.7000110.6P141 V142 F147 G148P141-I144 HydrophobicContact CB-CD1 4.28Å; P141-I144 HydrophobicContact CB-CG1 4.26Å; P141-I144 HydrophobicContact CG-CD1 4.09Å; P141-I144 WeakPolarHBondContact O-CB 3.43Å; P141-I144 PolarHBondContact O-N 2.97Å; V142-I144 VanDerWaalsContact C-N 3.28Å; V142-I144 PolarHBondContact O-N 2.92Å; I144-F147 PolarHBondContact O-N 3.37Å; I144-G148 PolarHBondContact O-N 3.33Å
145I91.4Very high88.7Confident97 Ų9798.3 Ų98.350%0.49756%0.562SS.*Hα-helixtrans-63.3-47.7175.2-55.4174.9000109.6V140 V142 F147 G148 V149V140-I145 HydrophobicContact CG2-CD1 3.96Å; V140-I145 HydrophobicContact CG2-CG1 4.28Å; V142-I145 WeakPolarHBondContact O-CB 3.49Å; V142-I145 PolarHBondContact O-N 3.23Å; V142-I145 VanDerWaalsContact O-N 3.15Å; I145-F147 PolarHBondContact O-N 3.46Å; I145-G148 PolarHBondContact O-N 3.15Å; I145-V149 WeakPolarHBondContact O-CG2 3.43Å; I145-V149 PolarHBondContact O-N 2.82Å; I145-V149 VanDerWaalsContact O-N 3.09Å
146V94.8Very high89.9Confident71 Ų7197.5 Ų97.543%0.4356%0.555SS.*Hα-helixtrans-60.8-46.1178.1176.90000111.3V142 W143 G148 V149 I150V142-V146 PolarHBondContact O-N 2.91Å; W143-V146 PolarHBondContact O-N 2.94Å; V146-G148 PolarHBondContact O-N 3.37Å; V146-V149 PolarHBondContact O-N 3.39Å; V146-I150 HydrophobicContact CG1-CD1 3.79Å; V146-I150 WeakPolarHBondContact O-CG1 3.39Å; V146-I150 PolarHBondContact O-N 3.46Å; V146-I150 VanDerWaalsContact O-N 3.1Å
147F95.6Very high91.1Very high111 Ų11193.4 Ų93.449%0.48753%0.533SS..Hα-helixtrans-59.8-45.8176.4178.5-96.4000112W143 I144 I145 V149 I150 F151W143-F147 WeakPolarHBondContact O-CB 3.41Å; W143-F147 PolarHBondContact O-N 3.45Å; I144-F147 PolarHBondContact O-N 3.37Å; I145-F147 PolarHBondContact O-N 3.46Å; F147-V149 PolarHBondContact O-N 3.42Å; F147-I150 PolarHBondContact O-N 3.44Å; F147-F151 HydrophobicContact CE1-CB 4.48Å; F147-F151 HydrophobicContact CZ-CD2 4.33Å; F147-F151 VanDerWaalsContact O-CB 3.27Å; F147-F151 WeakPolarHBondContact O-CB 3.28Å; F147-F151 PolarHBondContact O-N 3.43Å
148G95.3Very high92.3Very high37 Ų3790.6 Ų90.638%0.38152%0.517SS..Hα-helixtrans-60.4-42.6179.100000113.3I144 I145 V146 C152I144-G148 PolarHBondContact O-N 3.33Å; I145-G148 PolarHBondContact O-N 3.15Å; V146-G148 PolarHBondContact O-N 3.37Å; G148-C152 WeakPolarHBondContact O-CB 3.44Å; G148-C152 PolarHBondContact O-N 3.48Å
149V96.8Very high93.4Very high83 Ų8389.4 Ų89.450%0.50351%0.507SS..Hα-helixtrans-64.4-48.4176.5173.30000111.2I145 V146 F147 F151 C152 I153I145-V149 WeakPolarHBondContact O-CG2 3.43Å; I145-V149 PolarHBondContact O-N 2.82Å; I145-V149 VanDerWaalsContact O-N 3.09Å; V146-V149 PolarHBondContact O-N 3.39Å; F147-V149 PolarHBondContact O-N 3.42Å; V149-F151 PolarHBondContact O-N 3.21Å; V149-C152 PolarHBondContact O-N 3.09Å; V149-I153 HydrophobicContact CG1-CD1 3.95Å; V149-I153 WeakPolarHBondContact O-CG1 3.42Å; V149-I153 PolarHBondContact O-N 3.41Å; V149-I153 VanDerWaalsContact O-N 3.08Å
150I97.2Very high94.1Very high97 Ų9788.5 Ų88.550%0.49749%0.492SS..Hα-helixtrans-61.8-45.8179.3-66.2168.8000110.6V146 F147 C152 I153 V154V146-I150 HydrophobicContact CG1-CD1 3.79Å; V146-I150 WeakPolarHBondContact O-CG1 3.39Å; V146-I150 PolarHBondContact O-N 3.46Å; V146-I150 VanDerWaalsContact O-N 3.1Å; F147-I150 PolarHBondContact O-N 3.44Å; I150-C152 VanDerWaalsContact C-N 3.34Å; I150-C152 PolarHBondContact O-N 3.22Å; I150-I153 PolarHBondContact O-N 3.49Å; I150-V154 HydrophobicContact CG2-CG2 4.44Å; I150-V154 WeakPolarHBondContact O-CG2 3.39Å; I150-V154 PolarHBondContact O-N 3.26Å
151F96.8Very high94.6Very high122 Ų12291 Ų9154%0.53550%0.502SS..Hα-helixtrans-60.8-42.3178.8-172.3-97.8000111.8F147 V149 V154 V155F147-F151 HydrophobicContact CE1-CB 4.48Å; F147-F151 HydrophobicContact CZ-CD2 4.33Å; F147-F151 VanDerWaalsContact O-CB 3.27Å; F147-F151 WeakPolarHBondContact O-CB 3.28Å; F147-F151 PolarHBondContact O-N 3.43Å; V149-F151 PolarHBondContact O-N 3.21Å; F151-V154 PolarHBondContact O-N 3.33Å; F151-V155 HydrophobicContact CD1-CG2 4.04Å; F151-V155 HydrophobicContact CE1-CG2 3.69Å; F151-V155 HydrophobicContact CZ-CG2 3.95Å; F151-V155 WeakPolarHBondContact O-CG2 3.4Å; F151-V155 PolarHBondContact O-N 3.49Å
152C96.4Very high94.9Very high77 Ų7791 Ų9152%0.5250%0.5SS..Hα-helixtrans-62-44.9176.9-165.10000112.1G148 V149 I150 V154 V155 V156G148-C152 WeakPolarHBondContact O-CB 3.44Å; G148-C152 PolarHBondContact O-N 3.48Å; V149-C152 PolarHBondContact O-N 3.09Å; I150-C152 VanDerWaalsContact C-N 3.34Å; I150-C152 PolarHBondContact O-N 3.22Å; C152-V154 PolarHBondContact O-N 2.99Å; C152-V155 PolarHBondContact O-N 3.08Å; C152-V156 WeakPolarHBondContact O-CG2 3.29Å; C152-V156 PolarHBondContact O-N 3.16Å
153I97.5Very high94.9Very high111 Ų11190.6 Ų90.657%0.56949%0.494SS*.Hα-helixtrans-60.4-44.9176.1-66.6165.4000111V149 I150 V156 A157V149-I153 HydrophobicContact CG1-CD1 3.95Å; V149-I153 WeakPolarHBondContact O-CG1 3.42Å; V149-I153 PolarHBondContact O-N 3.41Å; V149-I153 VanDerWaalsContact O-N 3.08Å; I150-I153 PolarHBondContact O-N 3.49Å; I153-V156 PolarHBondContact O-N 3.27Å; I153-A157 WeakPolarHBondContact O-CB 3.35Å; I153-A157 PolarHBondContact O-N 3.19Å
154V97.2Very high94.7Very high70 Ų7084.6 Ų84.642%0.42448%0.482SS..Hα-helixtrans-63.1-44.5178.5170.50000111.4I150 F151 C152 A157 I158I150-V154 HydrophobicContact CG2-CG2 4.44Å; I150-V154 WeakPolarHBondContact O-CG2 3.39Å; I150-V154 PolarHBondContact O-N 3.26Å; F151-V154 PolarHBondContact O-N 3.33Å; C152-V154 PolarHBondContact O-N 2.99Å; V154-A157 PolarHBondContact O-N 2.99Å; V154-I158 HydrophobicContact CG1-CD1 3.7Å; V154-I158 HydrophobicContact CG1-CG1 4.44Å; V154-I158 VanDerWaalsContact O-CG1 3.28Å; V154-I158 WeakPolarHBondContact O-CG1 3.18Å; V154-I158 PolarHBondContact O-N 3.23Å
155V96.5Very high94.5Very high69 Ų6981.7 Ų81.742%0.41848%0.476SS..Hα-helixtrans-62.7-43.9177.31700000111.5F151 C152 I158 A159F151-V155 HydrophobicContact CD1-CG2 4.04Å; F151-V155 HydrophobicContact CE1-CG2 3.69Å; F151-V155 HydrophobicContact CZ-CG2 3.95Å; F151-V155 WeakPolarHBondContact O-CG2 3.4Å; F151-V155 PolarHBondContact O-N 3.49Å; C152-V155 PolarHBondContact O-N 3.08Å; V155-I158 PolarHBondContact O-N 3.35Å; V155-A159 WeakPolarHBondContact O-CB 3.47Å; V155-A159 PolarHBondContact O-N 2.81Å
156V97Very high94.3Very high77 Ų7782.3 Ų82.347%0.46748%0.48SS..Hα-helixtrans-63.2-43.5176.4171.40000111.2C152 I153 A159 L160C152-V156 WeakPolarHBondContact O-CG2 3.29Å; C152-V156 PolarHBondContact O-N 3.16Å; I153-V156 PolarHBondContact O-N 3.27Å; V156-A159 PolarHBondContact O-N 2.81Å; V156-L160 HydrophobicContact CG1-CD1 3.99Å; V156-L160 HydrophobicContact CG1-CG 4.39Å; V156-L160 WeakPolarHBondContact O-CB 3.1Å; V156-L160 WeakPolarHBondContact O-CG 3.49Å; V156-L160 PolarHBondContact O-N 2.91Å
157A95.8Very high93.6Very high46 Ų4687.3 Ų87.338%0.3849%0.491SS..Hα-helixtrans-61.3-46.3176.900000112I153 V154 L160 L161I153-A157 WeakPolarHBondContact O-CB 3.35Å; I153-A157 PolarHBondContact O-N 3.19Å; V154-A157 PolarHBondContact O-N 2.99Å; A157-L160 PolarHBondContact O-N 2.85Å; A157-L161 VanDerWaalsContact O-CG 3.3Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 3.49Å
158I95.9Very high92.9Very high95 Ų9588 Ų8849%0.48750%0.495SS..Hα-helixtrans-61.5-45.4176.4-68.1166.5000110.8V154 V155 L160 L161 V162V154-I158 HydrophobicContact CG1-CD1 3.7Å; V154-I158 HydrophobicContact CG1-CG1 4.44Å; V154-I158 VanDerWaalsContact O-CG1 3.28Å; V154-I158 WeakPolarHBondContact O-CG1 3.18Å; V154-I158 PolarHBondContact O-N 3.23Å; V155-I158 PolarHBondContact O-N 3.35Å; I158-L160 PolarHBondContact O-N 3.16Å; I158-L161 PolarHBondContact O-N 3.46Å; I158-V162 HydrophobicContact CG2-CG2 4.42Å; I158-V162 WeakPolarHBondContact O-CG2 3.19Å; I158-V162 PolarHBondContact O-N 2.94Å
159A94.6Very high92.1Very high44 Ų4494.9 Ų94.936%0.36451%0.51SS..Hα-helixtrans-60.5-45.9178.100000111.8V155 V156 L161 V162 L163V155-A159 WeakPolarHBondContact O-CB 3.47Å; V155-A159 PolarHBondContact O-N 2.81Å; V156-A159 PolarHBondContact O-N 2.81Å; A159-L161 PolarHBondContact O-N 3.28Å; A159-V162 PolarHBondContact O-N 3.03Å; A159-L163 WeakPolarHBondContact O-CB 3.32Å; A159-L163 WeakPolarHBondContact O-CD1 3.45Å; A159-L163 PolarHBondContact O-N 3.46Å
160L94.1Very high91Very high107 Ų107100 Ų10056%0.5652%0.52SS*.Hα-helixtrans-62.8-39.4176.8-71.5174.7000112.5V156 A157 I158 S164V156-L160 HydrophobicContact CG1-CD1 3.99Å; V156-L160 HydrophobicContact CG1-CG 4.39Å; V156-L160 WeakPolarHBondContact O-CB 3.1Å; V156-L160 WeakPolarHBondContact O-CG 3.49Å; V156-L160 PolarHBondContact O-N 2.91Å; A157-L160 PolarHBondContact O-N 2.85Å; I158-L160 PolarHBondContact O-N 3.16Å; L160-S164 VanDerWaalsContact O-CB 3.22Å; L160-S164 WeakPolarHBondContact O-CB 3.3Å; L160-S164 PolarHBondContact O-N 2.82Å; L160-S164 PolarHBondContact O-OG 3.38Å
161L93.2Very high89.7Confident128 Ų128105.2 Ų105.267%0.6753%0.534SS*.Hα-helixtrans-64-45.8174.8-72.7170000111.7A157 I158 A159 S164 G165A157-L161 VanDerWaalsContact O-CG 3.3Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 3.49Å; I158-L161 PolarHBondContact O-N 3.46Å; A159-L161 PolarHBondContact O-N 3.28Å; L161-S164 PolarHBondContact O-N 3.03Å; L161-G165 PolarHBondContact O-N 3.18Å
162V93.3Very high88.2Confident80 Ų80105 Ų10549%0.48554%0.538SS..Hα-helixtrans-63.9-47.5177.91720000111.3I158 A159 S164 G165 I166I158-V162 HydrophobicContact CG2-CG2 4.42Å; I158-V162 WeakPolarHBondContact O-CG2 3.19Å; I158-V162 PolarHBondContact O-N 2.94Å; A159-V162 PolarHBondContact O-N 3.03Å; V162-S164 VanDerWaalsContact C-N 3.29Å; V162-S164 PolarHBondContact O-N 3.13Å; V162-G165 PolarHBondContact O-N 3.48Å; V162-I166 HydrophobicContact CG1-CD1 3.82Å; V162-I166 WeakPolarHBondContact O-CG1 3.49Å; V162-I166 PolarHBondContact O-N 3.09Å
163L90.6Very high86.5Confident89 Ų89107.4 Ų107.447%0.46655%0.546SS..Hα-helixtrans-60.7-39.4176.2-92.676.6000111.7A159 R167A159-L163 WeakPolarHBondContact O-CB 3.32Å; A159-L163 WeakPolarHBondContact O-CD1 3.45Å; A159-L163 PolarHBondContact O-N 3.46Å; L163-R167 WeakPolarHBondContact O-CB 3.32Å; L163-R167 VanDerWaalsContact O-CG 3.26Å; L163-R167 WeakPolarHBondContact O-CG 3.41Å; L163-R167 PolarHBondContact O-N 3Å
164S87.2Confident84.6Confident66 Ų66109.9 Ų109.946%0.46255%0.552SS.*Hα-helixtrans-66.8-45.5177.8-60.40000111.6L160 L161 V162 I166 R167 Q168L160-S164 VanDerWaalsContact O-CB 3.22Å; L160-S164 WeakPolarHBondContact O-CB 3.3Å; L160-S164 PolarHBondContact O-N 2.82Å; L160-S164 PolarHBondContact O-OG 3.38Å; L161-S164 PolarHBondContact O-N 3.03Å; V162-S164 VanDerWaalsContact C-N 3.29Å; V162-S164 PolarHBondContact O-N 3.13Å; S164-I166 PolarHBondContact O-N 2.91Å; S164-R167 PolarHBondContact O-N 3.07Å; S164-Q168 VanDerWaalsContact O-CB 3.29Å; S164-Q168 WeakPolarHBondContact O-CB 3.48Å; S164-Q168 PolarHBondContact O-N 2.94Å
165G87.8Confident82.2Confident39 Ų39109 Ų10940%0.40256%0.557SS.*Hα-helixtrans-60.3-41.8175.700000113L161 V162 R169L161-G165 PolarHBondContact O-N 3.18Å; V162-G165 PolarHBondContact O-N 3.48Å; G165-R169 WeakPolarHBondContact O-CB 3.31Å; G165-R169 PolarHBondContact O-N 3.18Å
166I86.6Confident79.9Confident110 Ų110112.2 Ų112.256%0.56458%0.579SS**Hα-helixtrans-66.2-45.3175.2-65.6167.5000110.9V162 S164 Q168 R169 R170V162-I166 HydrophobicContact CG1-CD1 3.82Å; V162-I166 WeakPolarHBondContact O-CG1 3.49Å; V162-I166 PolarHBondContact O-N 3.09Å; S164-I166 PolarHBondContact O-N 2.91Å; I166-Q168 PolarHBondContact O-N 3.03Å; I166-R169 PolarHBondContact O-N 3.29Å; I166-R170 WeakPolarHBondContact O-CB 3.44Å; I166-R170 PolarHBondContact O-N 2.77Å
167R81.2Confident77.6Confident175 Ų175116.6 Ų116.666%0.6660%0.599SS**Hα-helixtrans-61.9-41.7176.9-77176.2179.3-1641111.9L163 S164 R170 R171L163-R167 WeakPolarHBondContact O-CB 3.32Å; L163-R167 VanDerWaalsContact O-CG 3.26Å; L163-R167 WeakPolarHBondContact O-CG 3.41Å; L163-R167 PolarHBondContact O-N 3Å; S164-R167 PolarHBondContact O-N 3.07Å; R167-R170 PolarHBondContact O-N 3.41Å; R167-R171 PolarHBondContact O-N 2.71Å
168Q81.1Confident74.7Confident125 Ų125117.4 Ų117.458%0.58461%0.612SS**Hα-helixtrans-67.5-45.5178.1-171.3171.84.800111.2S164 I166 R170 R171 N172S164-Q168 VanDerWaalsContact O-CB 3.29Å; S164-Q168 WeakPolarHBondContact O-CB 3.48Å; S164-Q168 PolarHBondContact O-N 2.94Å; I166-Q168 PolarHBondContact O-N 3.03Å; Q168-R170 VanDerWaalsContact C-N 3.29Å; Q168-R170 PolarHBondContact O-N 2.9Å; Q168-R171 CarbonylContact O-C 3.58Å; Q168-R171 PolarHBondContact O-N 3.43Å; Q168-R171 VanDerWaalsContact O-N 3.13Å; Q168-N172 PolarHBondContact O-N 2.84Å; Q168-N172 PolarHBondContact O-OD1 3.37Å
169R76.9Confident72.5Confident183 Ų183119.9 Ų119.969%0.69163%0.631SS**Hα-helixtrans-60.9-37.8173.3-167.6175.5-175.1-1761.5112.1G165 I166 N172 N173G165-R169 WeakPolarHBondContact O-CB 3.31Å; G165-R169 PolarHBondContact O-N 3.18Å; I166-R169 PolarHBondContact O-N 3.29Å; R169-N172 PolarHBondContact O-N 2.86Å; R169-N173 WeakPolarHBondContact O-CB 3.16Å; R169-N173 PolarHBondContact O-N 3.01Å; R169-N173 PolarHBondContact O-OD1 3.45Å
170R73.8Confident70Confident191 Ų191125.8 Ų125.872%0.72165%0.651SS**Hα-helixtrans-69-33.4174.8-165.6179.2-172.8-164.52.7112.9I166 R167 Q168 K174I166-R170 WeakPolarHBondContact O-CB 3.44Å; I166-R170 PolarHBondContact O-N 2.77Å; R167-R170 PolarHBondContact O-N 3.41Å; Q168-R170 VanDerWaalsContact C-N 3.29Å; Q168-R170 PolarHBondContact O-N 2.9Å; R170-K174 PolarHBondContact O-N 3.08Å
171R71.4Confident67.1Low206 Ų206128.3 Ų128.378%0.77767%0.666SS**Hα-helixtrans-72.8-32.3171.6-78.7-178.278.1160.13.4112.6R167 Q168R167-R171 PolarHBondContact O-N 2.71Å; Q168-R171 CarbonylContact O-C 3.58Å; Q168-R171 PolarHBondContact O-N 3.43Å; Q168-R171 VanDerWaalsContact O-N 3.13Å
172N64.9Low65Low116 Ų116126 Ų12662%0.6266%0.664SS**Hα-helixtrans-81.9-29.6178.5-68.917.1000112.8Q168 R169 K174Q168-N172 PolarHBondContact O-N 2.84Å; Q168-N172 PolarHBondContact O-OD1 3.37Å; R169-N172 PolarHBondContact O-N 2.86Å; N172-K174 VanDerWaalsContact C-N 3.32Å
173N60Low62.7Low129 Ų129131.2 Ų131.269%0.6968%0.684SS**Hα-helixtrans-75.7-18.4174.4-7920.7000113.3R169R169-N173 WeakPolarHBondContact O-CB 3.16Å; R169-N173 PolarHBondContact O-N 3.01Å; R169-N173 PolarHBondContact O-OD1 3.45Å
174K58.5Low60.3Low163 Ų163134.2 Ų134.271%0.70970%0.7SS**SBendtrans-88.298.7159-75.4-173.1168.9-163.50106.4R170 N172R170-K174 PolarHBondContact O-N 3.08Å; N172-K174 VanDerWaalsContact C-N 3.32Å
175G46.4Very low58Low50 Ų50140.7 Ų140.752%0.51572%0.72SS.*  trans-53.9160.8-177.800000112.8L177G175-L177 PolarHBondContact O-N 2.84Å
176P48.7Very low55.3Low137 Ų137143.8 Ų143.889%0.8973%0.734SS**  trans-61.5102.9179.627.2-34000109.8
177L47.2Very low52.9Low170 Ų170146 Ų14689%0.8974%0.742SS**PPolyproline II helixtrans-66145.5154.3-84.3159.1000107.6G175G175-L177 PolarHBondContact O-N 2.84Å
178G35.6Very low50.7Low63 Ų63144.8 Ų144.865%0.64975%0.749SS**PPolyproline II helixtrans-49.9151.8-161.300000115.9
179V49.9Very low48.3Very low146 Ų146145.1 Ų145.189%0.88575%0.753SS**SBendtrans-64.3147.6142.4178.20000106.7
180E40.8Very low46.6Very low169 Ų169144 Ų14479%0.7976%0.76SS**  trans75.3116.6-160.5-51.8176.4163.300110.5
181D34.6Very low44.6Very low160 Ų160140.5 Ų140.586%0.85676%0.759SS**  cis-113.2147.220.4-61.7-56.4000115
182A47.7Very low43Very low78 Ų78137.6 Ų137.665%0.64576%0.758SS**  trans-78.3172.6155.600000109.6
183E45.7Very low41.5Very low191 Ų191139.6 Ų139.689%0.89376%0.763SS**  trans68.775.5164.3-53173.4-129.100116.3
184D41.2Very low40.4Very low152 Ų152140.5 Ų140.581%0.81377%0.768SS**  174.5103.5108.3-17626.5000112.1
185K37.2Very low39.1Very low201 Ų201136.6 Ų136.687%0.87477%0.774SS**  -161.588.7125.1-166.3146.9-168.3162.40109
186C32.8Very low38.7Very low104 Ų104142.1 Ų142.170%0.70379%0.79SS**  trans-62.8163178.4-1560000112.3
187E35.7Very low38.7Very low157 Ų157140.6 Ų140.673%0.73478%0.78SS**  trans-52.2138.8171-56.8168.3146.300112
188N34.2Very low38Very low150 Ų150138.4 Ų138.480%0.80278%0.778SS**  trans-162.9108.7141.6-99.5-29.8000106.2
189I31.3Very low38.3Very low132 Ų132141.8 Ų141.868%0.67778%0.781SS**  56114.257.8-59-175.6000111.9
190I40.6Very low38Very low160 Ų160140.4 Ų140.482%0.82178%0.775SS**  trans-53.4119.1175.9-60.1151.2000111.9
191T32.8Very low38.1Very low116 Ų116139.3 Ų139.371%0.71277%0.774SS**  trans-166.5115.5147.7210000108.7
192I36.4Very low38.3Very low146 Ų146138.6 Ų138.675%0.74977%0.77SS**  72.610192.9-64178.1000114.6
193E34.9Very low37.7Very low158 Ų158139.8 Ų139.874%0.73877%0.769SS**  trans62.4128.4131.5-158.7176.7154.500124.1
194N35.6Very low37.5Very low147 Ų147140.4 Ų140.479%0.78677%0.769SS**  trans47.1119152-64.2-27.8000122.7
195G32.7Very low37.1Very low81 Ų81137.1 Ų137.184%0.83577%0.771SS**  trans172.8115.2158.800000114.8
196I36.6Very low37.1Very low167 Ų167131.2 Ų131.286%0.85677%0.768SS**  trans-111.8158.7170.4-63.2167.8000106.4
197P49.1Very low37.5Very low104 Ų104134 Ų13468%0.67578%0.775SS**  cis-126.9-176.7-2.323.90.6000114.3
198C33.8Very low37.8Very low124 Ų124133.7 Ų133.784%0.83878%0.776SS**  177.3124.5112.6-930000112.9
199D41.1Very low38.2Very low135 Ų135133.3 Ų133.372%0.72277%0.774SS**  trans-82.6153.5160.5-142-37.8000108.1L201D199-L201 PolarHBondContact OD1-N 3.3Å
200P43.9Very low38.9Very low117 Ų117134.5 Ų134.576%0.7678%0.782SS**  -149122.295.134.9-16.1000116.3
201L43.1Very low38.6Very low146 Ų146130 Ų13076%0.76478%0.775SS**  52.5138.7116.8-81.5169.7000122.4D199D199-L201 PolarHBondContact OD1-N 3.3Å
202D37.5Very low39.1Very low144 Ų144134.3 Ų134.377%0.7778%0.784SS**  trans79135.5150.6-120.24.5000117.4
203T36.8Very low39.2Very low103 Ų103134.5 Ų134.563%0.63279%0.786SS**  cis-152156.225310000112.7
204K40.3Very low39.7Very low204 Ų204133.4 Ų133.489%0.88779%0.79SS**  trans62.5132.8160.5-67.5170.4175176.10118.2
205G33.2Very low39.8Very low84 Ų84134 Ų13487%0.86679%0.788SS**  cis125.2111.1-0.600000113
206G37.6Very low40.1Very low77 Ų77137.1 Ų137.179%0.79479%0.786SS**  trans165.7103.1171.700000115.8
207L40.2Very low40.6Very low163 Ų163136.2 Ų136.285%0.85378%0.778SS**  trans-69.4172.2149.9-70.770.8000107.7
208I42.5Very low40.3Very low149 Ų149141 Ų14176%0.76478%0.783SS**  cis-170.3171.637.7-0.5171.2000106.5
209N42.8Very low40.8Very low143 Ų143142.8 Ų142.877%0.76578%0.783SS**  cis-157.5-174.8-3.2-151.326.5000109.7
210D46Very low40.7Very low156 Ų156142.3 Ų142.383%0.83479%0.785SS**  trans-64.8156.7169-73.4-56.4000116
211G34.7Very low40.8Very low66 Ų66142.4 Ų142.468%0.6879%0.786SS**  trans175.286.9164.300000116.5
212F42.9Very low40.5Very low206 Ų206147.4 Ų147.490%0.90481%0.812SS**  167.7114.8115.8-105-86.2000112.2
213L37.4Very low40.7Very low150 Ų150147.6 Ų147.679%0.78581%0.814SS**  trans-87.9138.7159.9-97.4160.7000109.1E215L213-E215 HydrophobicContact CD2-CG 4.41Å
214T45.2Very low40.9Very low135 Ų135149.9 Ų149.983%0.82882%0.824SS**  trans-152.6120.6150.929.70000107.4
215E39.2Very low40.9Very low159 Ų159146.9 Ų146.974%0.74382%0.82SS**  trans-91.1177.8177.9-58.2-154.8128.900112.4L213L213-E215 HydrophobicContact CD2-CG 4.41Å
216D37.5Very low41.4Very low147 Ų147150.6 Ų150.679%0.78682%0.817SS**  trans66.5133163.9-62.6-33.2000117.4
217E47Very low41.6Very low148 Ų148155.2 Ų155.269%0.69282%0.819SS**  -16115150.7-95.1-156.7139.100114.5
218R44.6Very low41.7Very low206 Ų206154.7 Ų154.778%0.77782%0.817SS**  trans76.1105.1137.3-69.3168.5102.7137.67124
219L42.6Very low41.7Very low161 Ų161155.1 Ų155.184%0.84382%0.82SS**  trans-19135.8136.2-65.1156.1000119.1
220T38.9Very low41.6Very low125 Ų125156 Ų15677%0.76783%0.825SS**  trans-3.4147.314353.30000119.8
221P47.2Very low41.2Very low118 Ų118156 Ų15677%0.76682%0.824SS**  -146.3167.692.940.5-25.9000117.4
222L37.3Very low41.8Very low251 Ų251164.2 Ų164.2100%1.31484%0.837SS**  trans77.60171.6-61.1174.3000117.4

Retrieved 222 of 222 residues in 42.8 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).