A0A1S3Q8B4_SALSA Loading...

ADP-ribosylation factor-like 8 isoform X2

AlphaFold DB , UniProt , Accession A0A1S3Q8B4, Species SALSA (Salmo salar, Atlantic salmon), Gene arl8, Length 179 aa.

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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
1M43.2Very low46.7Very low205 Ų205126.4 Ų126.4100%1.0165%0.648SS**  0-31.60-69.7-63.4-92.200114
2G48.5Very low47Very low58 Ų58127.3 Ų127.360%0.59864%0.644SS**Hα-helixtrans-76.8-31.5-172.900000118.3A6G2-A6 WeakPolarHBondContact O-CB 3.37Å; G2-A6 PolarHBondContact O-N 3.39Å
3L44.1Very low47.1Very low154 Ų154120 Ų12081%0.80661%0.611SS**Hα-helixtrans-78.7-32.6-175.7-80.4156.3000114K7L3-K7 WeakPolarHBondContact O-CB 3.26Å; L3-K7 PolarHBondContact O-N 2.86Å
4I51.7Low47.6Very low128 Ų128119.6 Ų119.666%0.65661%0.612SS**Hα-helixtrans-73.8-39.2174.9-62.9171000109.4K7 L8I4-K7 PolarHBondContact O-N 2.96Å; I4-L8 HydrophobicContact CG2-CD1 3.62Å; I4-L8 WeakPolarHBondContact O-CB 3.46Å; I4-L8 WeakPolarHBondContact O-CD1 3.08Å; I4-L8 PolarHBondContact O-N 2.86Å
5F48.2Very low49.3Very low142 Ų142118.2 Ų118.262%0.62360%0.601SS**Hα-helixtrans-63.2-43.3172.6-124.3-92.2000111.7K7 L8 W9F5-K7 PolarHBondContact O-N 3.15Å; F5-L8 PolarHBondContact O-N 3.36Å; F5-W9 WeakPolarHBondContact O-CB 3.36Å; F5-W9 PolarHBondContact O-N 2.94Å
6A48.9Very low51.6Low57 Ų57118.6 Ų118.647%0.47160%0.6SS.*Hα-helixtrans-66.7-34.5176.900000113.3G2 S10G2-A6 WeakPolarHBondContact O-CB 3.37Å; G2-A6 PolarHBondContact O-N 3.39Å; A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 3.26Å
7K42.1Very low54.1Low164 Ų164112.4 Ų112.471%0.71357%0.569SS**Hα-helixtrans-73.6-40.8173.9-96.1-174.6171.9-177.50113.2L3 I4 F5 W9 F11L3-K7 WeakPolarHBondContact O-CB 3.26Å; L3-K7 PolarHBondContact O-N 2.86Å; I4-K7 PolarHBondContact O-N 2.96Å; F5-K7 PolarHBondContact O-N 3.15Å; K7-W9 VanDerWaalsContact C-N 3.32Å; K7-F11 VanDerWaalsContact O-CB 3.28Å; K7-F11 WeakPolarHBondContact O-CB 3.43Å; K7-F11 PolarHBondContact O-N 3.48Å
8L49.9Very low56.5Low98 Ų98108.7 Ų108.751%0.51355%0.548SS..Hα-helixtrans-62.6-44.7170.5-97.4112.1000109.7I4 F5 S10 F11 F12I4-L8 HydrophobicContact CG2-CD1 3.62Å; I4-L8 WeakPolarHBondContact O-CB 3.46Å; I4-L8 WeakPolarHBondContact O-CD1 3.08Å; I4-L8 PolarHBondContact O-N 2.86Å; F5-L8 PolarHBondContact O-N 3.36Å; L8-S10 PolarHBondContact O-N 2.8Å; L8-F11 CarbonylContact O-C 3.58Å; L8-F11 WeakPolarHBondContact O-CB 3.44Å; L8-F11 PolarHBondContact O-N 2.77Å; L8-F11 VanDerWaalsContact O-N 3.15Å; L8-F12 HydrophobicContact CD2-CE2 4.31Å; L8-F12 VanDerWaalsContact O-CD2 3.26Å; L8-F12 WeakPolarHBondContact O-CD2 3.5Å; L8-F12 PolarHBondContact O-N 3.47Å
9W48Very low58.7Low169 Ų169103 Ų10364%0.6452%0.519SS*.Hα-helixtrans-63.2-41.7177.5-161.6-93.6000112.3F5 K7 F11 F12 C13F5-W9 WeakPolarHBondContact O-CB 3.36Å; F5-W9 PolarHBondContact O-N 2.94Å; K7-W9 VanDerWaalsContact C-N 3.32Å; W9-F11 VanDerWaalsContact C-N 3.3Å; W9-F11 PolarHBondContact O-N 3.5Å; W9-F12 CarbonylContact O-C 3.55Å; W9-F12 PolarHBondContact O-N 3.28Å; W9-C13 PolarHBondContact NE1-SG 3.05Å; W9-C13 VanDerWaalsContact NE1-SG 3.36Å; W9-C13 VanDerWaalsContact O-CB 3.23Å; W9-C13 WeakPolarHBondContact O-CB 3.46Å; W9-C13 PolarHBondContact O-N 2.77Å; W9-C13 PolarHBondContact O-SG 3.2Å
10S43.4Very low60.6Low58 Ų5897.9 Ų97.941%0.40649%0.493SS..Hα-helixtrans-71.4-24.8174.797.50000112.9A6 L8 N14A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 3.26Å; L8-S10 PolarHBondContact O-N 2.8Å; S10-N14 WeakPolarHBondContact O-CB 3.49Å; S10-N14 PolarHBondContact O-N 3.35Å
11F46.1Very low62.5Low157 Ų15793.2 Ų93.269%0.68947%0.47SS*.Hα-helixtrans-74.7-31170.8-160.9-94.9000111.7K7 L8 W9K7-F11 VanDerWaalsContact O-CB 3.28Å; K7-F11 WeakPolarHBondContact O-CB 3.43Å; K7-F11 PolarHBondContact O-N 3.48Å; L8-F11 CarbonylContact O-C 3.58Å; L8-F11 WeakPolarHBondContact O-CB 3.44Å; L8-F11 PolarHBondContact O-N 2.77Å; L8-F11 VanDerWaalsContact O-N 3.15Å; W9-F11 VanDerWaalsContact C-N 3.3Å; W9-F11 PolarHBondContact O-N 3.5Å
12F49.6Very low65.1Low137 Ų13783.4 Ų83.460%0.60142%0.422SS*.Hα-helixtrans-80.2-24.2171.6-89-83.6000113.4L8 W9L8-F12 HydrophobicContact CD2-CE2 4.31Å; L8-F12 VanDerWaalsContact O-CD2 3.26Å; L8-F12 WeakPolarHBondContact O-CD2 3.5Å; L8-F12 PolarHBondContact O-N 3.47Å; W9-F12 CarbonylContact O-C 3.55Å; W9-F12 PolarHBondContact O-N 3.28Å
13C48Very low67.4Low33 Ų3380.7 Ų80.722%0.22339%0.394CS..Hα-helixtrans-96.4-9-176.2-71.60000115.3W9W9-C13 PolarHBondContact NE1-SG 3.05Å; W9-C13 VanDerWaalsContact NE1-SG 3.36Å; W9-C13 VanDerWaalsContact O-CB 3.23Å; W9-C13 WeakPolarHBondContact O-CB 3.46Å; W9-C13 PolarHBondContact O-N 2.77Å; W9-C13 PolarHBondContact O-SG 3.2Å
14N54.3Low70Confident115 Ų11573.8 Ų73.862%0.61536%0.357SS*.  trans-114.725.2-176.8-75.39.8000113.9S10 E16S10-N14 WeakPolarHBondContact O-CB 3.49Å; S10-N14 PolarHBondContact O-N 3.35Å; N14-E16 PolarHBondContact O-N 3.21Å
15Q72.9Confident72Confident98 Ų9869.8 Ų69.846%0.45834%0.338SS..  trans-80.7115.3167.7-79-169.4-15.100109.5H17Q15-H17 PolarHBondContact O-CD2 3.3Å
16E87.1Confident74.3Confident125 Ų12568.4 Ų68.458%0.58434%0.337SS*.EExtended strand (participates in β ladder)trans-69.5126.2168.2-67172.2-165.900109.2N14 H61N14-E16 PolarHBondContact O-N 3.21Å; E16-H61 HydrophobicContact CG-CB 4.29Å
17H93.9Very high76.6Confident13 Ų1365.8 Ų65.86%0.0632%0.315CS..EExtended strand (participates in β ladder)trans-95.5117176.3-63.1-82.2000109.5Q15 V19 T60 H61 F62 L63 E85 F86Q15-H17 PolarHBondContact O-CD2 3.3Å; H17-V19 PolarHBondContact O-N 3.45Å; H17-T60 VanDerWaalsContact CD2-CG2 3.44Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.23Å; H17-H61 PolarHBondContact N-O 3.14Å; H17-F62 HydrophobicContact CB-CD1 3.74Å; H17-F62 HydrophobicContact CB-CE1 4.03Å; H17-F62 WeakPolarHBondContact O-CA 3.28Å; H17-L63 PolarHBondContact O-N 3.31Å; H17-E85 IonicContact CE1-OE2 3.64Å; H17-E85 IonicContact CG-OE2 3.23Å; H17-E85 IonicContact ND1-OE1 3.96Å; H17-E85 IonicContact ND1-OE2 2.77Å; H17-E85 PolarHBondContact ND1-OE2 3.23Å; H17-F86 HydrophobicContact CB-CD2 4.25Å; H17-F86 HydrophobicContact CB-CE2 4.11Å
18K96.4Very high79.2Confident46 Ų4658.6 Ų58.620%0.229%0.287CS..EExtended strand (participates in β ladder)trans-73127.1175.4-178.3175.1173.2-1780110.7Y80 S82 N83 E85 F86K18-Y80 WeakPolarHBondContact CE-O 3.22Å; K18-Y80 PolarHBondContact NZ-O 3.01Å; K18-S82 PolarHBondContact NZ-O 2.86Å; K18-N83 WeakPolarHBondContact CB-O 3.36Å; K18-E85 PolarHBondContact O-N 3.29Å; K18-F86 PolarHBondContact O-N 2.94Å
19V98.2Very high81.4Confident0 Ų054.5 Ų54.50%027%0.265CS..EExtended strand (participates in β ladder)trans-123.7136.6178.3-1720000109.5H17 F62 L63 M64 W65 F86 I88 M172H17-V19 PolarHBondContact O-N 3.45Å; V19-F62 HydrophobicContact CG2-CB 3.97Å; V19-F62 HydrophobicContact CG2-CD1 3.6Å; V19-F62 HydrophobicContact CG2-CG 4.2Å; V19-L63 PolarHBondContact N-O 2.98Å; V19-M64 HydrophobicContact CB-CB 4.49Å; V19-M64 HydrophobicContact CB-CG 4.01Å; V19-M64 HydrophobicContact CG1-CG 4.42Å; V19-M64 HydrophobicContact CG2-CG 4.27Å; V19-M64 WeakPolarHBondContact O-CA 3.4Å; V19-W65 PolarHBondContact O-N 2.65Å; V19-F86 VanDerWaalsContact CA-O 3.32Å; V19-F86 WeakPolarHBondContact CA-O 3.15Å; V19-F86 HydrophobicContact CB-CB 4.42Å; V19-F86 HydrophobicContact CG1-CB 4.06Å; V19-F86 HydrophobicContact CG2-CB 4.07Å; V19-F86 HydrophobicContact CG2-CD2 4.37Å; V19-I88 HydrophobicContact CG1-CD1 3.76Å; V19-I88 HydrophobicContact CG1-CG1 3.75Å; V19-M172 HydrophobicContact CG1-CE 3.99Å; V19-M172 HydrophobicContact CG2-CE 3.8Å
20I98.4Very high83.7Confident0 Ų047.3 Ų47.30%024%0.24CC..EExtended strand (participates in β ladder)trans-107.4133.616667.4-177.5000109.8V22 W65 I67 Y81 T84 F86 I87 I88 M109 L115I20-V22 HydrophobicContact CB-CG1 4.49Å; I20-V22 HydrophobicContact CD1-CG1 4.28Å; I20-V22 HydrophobicContact CG1-CG1 4.27Å; I20-W65 HydrophobicContact CG2-CB 4.41Å; I20-I67 HydrophobicContact CB-CD1 4.04Å; I20-I67 HydrophobicContact CG2-CD1 4.26Å; I20-Y81 HydrophobicContact CD1-CD1 3.74Å; I20-Y81 HydrophobicContact CD1-CE1 3.94Å; I20-T84 HydrophobicContact CB-CG2 4.41Å; I20-T84 HydrophobicContact CD1-CG2 4.1Å; I20-T84 HydrophobicContact CG1-CG2 3.88Å; I20-T84 HydrophobicContact CG2-CG2 4Å; I20-F86 PolarHBondContact N-O 2.82Å; I20-I87 HydrophobicContact CD1-CG1 4.12Å; I20-I87 HydrophobicContact CG1-CB 4.37Å; I20-I87 HydrophobicContact CG1-CG1 4.11Å; I20-I87 HydrophobicContact CG1-CG2 4.23Å; I20-I88 PolarHBondContact O-N 3.08Å; I20-M109 HydrophobicContact CD1-CE 3.83Å; I20-L115 HydrophobicContact CD1-CD2 4.33Å
21I98.5Very high86.2Confident0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-104.9115.4172.4-47.6-179.6000107.6K29 L33 M64 W65 I67 I88 V90I21-K29 HydrophobicContact CG2-CB 3.8Å; I21-K29 HydrophobicContact CG2-CD 4.28Å; I21-K29 HydrophobicContact CG2-CG 3.99Å; I21-L33 HydrophobicContact CD1-CB 4.25Å; I21-L33 HydrophobicContact CD1-CD1 4.01Å; I21-M64 HydrophobicContact CD1-CB 4.12Å; I21-M64 HydrophobicContact CD1-SD 4.04Å; I21-M64 HydrophobicContact CG1-CB 4.48Å; I21-W65 PolarHBondContact N-O 2.91Å; I21-I67 PolarHBondContact O-N 2.89Å; I21-I67 VanDerWaalsContact O-N 3.14Å; I21-I88 WeakPolarHBondContact CA-O 3.2Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.31Å; I21-I88 HydrophobicContact CG2-CB 4.33Å; I21-I88 HydrophobicContact CG2-CG2 4.2Å; I21-V90 HydrophobicContact CG2-CG2 3.81Å
22V98.2Very high88.6Confident0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-131.1167.7-174.8-65.80000110.7I20 I67 W77 I87 I88 L89 V90 M109I20-V22 HydrophobicContact CB-CG1 4.49Å; I20-V22 HydrophobicContact CD1-CG1 4.28Å; I20-V22 HydrophobicContact CG1-CG1 4.27Å; V22-I67 HydrophobicContact CG1-CD1 3.95Å; V22-W77 HydrophobicContact CB-CD2 4.45Å; V22-W77 HydrophobicContact CB-CE3 4.21Å; V22-W77 HydrophobicContact CB-CH2 4.1Å; V22-W77 HydrophobicContact CB-CZ2 4.33Å; V22-W77 HydrophobicContact CB-CZ3 4.02Å; V22-W77 HydrophobicContact CG1-CD2 4.16Å; V22-W77 HydrophobicContact CG1-CE3 4.19Å; V22-I87 HydrophobicContact CG2-CG2 3.88Å; V22-I88 PolarHBondContact N-O 2.95Å; V22-L89 HydrophobicContact CG2-CD1 4.2Å; V22-L89 WeakPolarHBondContact O-CA 3.12Å; V22-V90 PolarHBondContact O-N 3.23Å; V22-M109 HydrophobicContact CB-SD 4.29Å; V22-M109 HydrophobicContact CG1-CE 4.35Å; V22-M109 HydrophobicContact CG1-SD 4.33Å; V22-M109 HydrophobicContact CG2-CE 3.75Å; V22-M109 HydrophobicContact CG2-SD 3.81Å
23G97.9Very high90.8Very high1 Ų131.3 Ų31.31%0.0116%0.164CC..  trans137.4164-172.900000110.8K29 G69G23-K29 WeakPolarHBondContact O-CE 3.47Å; G23-K29 PolarHBondContact O-NZ 3.24Å; G23-G69 WeakPolarHBondContact O-CA 3.46Å
24L97.6Very high92.9Very high8 Ų832.3 Ų32.34%0.04216%0.164CC..  trans-62.2161.5-175.7-50.1-175.4000111.8A27 K29 R98 I101 S102L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.46Å; L24-A27 PolarHBondContact O-N 3.4Å; L24-K29 PolarHBondContact O-NZ 3.04Å; L24-R98 HydrophobicContact CD1-CB 3.58Å; L24-R98 WeakPolarHBondContact CD1-O 3.31Å; L24-I101 HydrophobicContact CD1-CB 4.21Å; L24-I101 HydrophobicContact CD1-CG2 4.46Å; L24-I101 HydrophobicContact CD2-CB 4.35Å; L24-I101 HydrophobicContact CD2-CG2 3.79Å; L24-S102 WeakPolarHBondContact CD1-OG 3.38Å; L24-S102 WeakPolarHBondContact CG-OG 3.28Å
25D95Very high94.7Very high45 Ų4527.4 Ų27.424%0.24114%0.137CC..THydrogen-bonded Turntrans-51.9145.9166.654.5-78.8000110.8A27 G69 Q70 R74 R98D25-A27 PolarHBondContact O-N 3.35Å; D25-A27 VanDerWaalsContact O-N 3.11Å; D25-G69 PolarHBondContact N-O 2.77Å; D25-G69 VanDerWaalsContact N-O 3.12Å; D25-Q70 HydrophobicContact CB-CG 4.17Å; D25-R74 IonicContact OD1-NH2 2.95Å; D25-R74 PolarHBondContact OD1-NH2 2.99Å; D25-R74 VanDerWaalsContact OD1-NH2 3.11Å; D25-R98 PolarHBondContact O-NH2 2.85Å; D25-R98 IonicContact OD1-NH1 3.99Å; D25-R98 PolarHBondContact OD1-NH1 2.86Å; D25-R98 IonicContact OD2-CZ 3.33Å; D25-R98 IonicContact OD2-NH1 3.79Å; D25-R98 PolarHBondContact OD2-NH1 3.13Å; D25-R98 IonicContact OD2-NH2 3.43Å
26N94.9Very high95.5Very high113 Ų11324.5 Ų24.560%0.60412%0.123SC*.THydrogen-bonded Turntrans64.13.8-176.5-162.437.3000116.5G28 K126N26-G28 PolarHBondContact O-N 3.12Å; N26-K126 WeakPolarHBondContact O-CE 3.37Å; N26-K126 PolarHBondContact O-NZ 3.22Å
27A97.6Very high95.5Very high2 Ų222 Ų222%0.01711%0.113CC..SBendtrans-67-18.4177.500000114.5L24 D25 V90 N125L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.46Å; L24-A27 PolarHBondContact O-N 3.4Å; D25-A27 PolarHBondContact O-N 3.35Å; D25-A27 VanDerWaalsContact O-N 3.11Å; A27-V90 HydrophobicContact CB-CB 4.32Å; A27-V90 HydrophobicContact CB-CG1 4.07Å; A27-V90 WeakPolarHBondContact CB-O 3.49Å; A27-V90 VanDerWaalsContact O-CG1 3.28Å; A27-V90 WeakPolarHBondContact O-CG1 3.49Å; A27-N125 PolarHBondContact O-ND2 2.79Å
28G97.1Very high95.1Very high13 Ų1325.8 Ų25.813%0.13413%0.132CC..SBendtrans99.121.317900000115.4N26 T31 I32N26-G28 PolarHBondContact O-N 3.12Å; G28-T31 PolarHBondContact O-N 3.37Å; G28-I32 WeakPolarHBondContact O-CG1 3.19Å; G28-I32 PolarHBondContact O-N 2.94Å
29K97.3Very high94.2Very high11 Ų1129.9 Ų29.95%0.04816%0.156CC..Hα-helixtrans-55.7-55.2-180-60.2-176.1-62-68.50113.3I21 G23 L24 T31 I32 L33 D66 I67 V90I21-K29 HydrophobicContact CG2-CB 3.8Å; I21-K29 HydrophobicContact CG2-CD 4.28Å; I21-K29 HydrophobicContact CG2-CG 3.99Å; G23-K29 WeakPolarHBondContact O-CE 3.47Å; G23-K29 PolarHBondContact O-NZ 3.24Å; L24-K29 PolarHBondContact O-NZ 3.04Å; K29-T31 VanDerWaalsContact C-N 3.31Å; K29-T31 PolarHBondContact O-N 3.45Å; K29-I32 WeakPolarHBondContact O-CB 3.44Å; K29-I32 PolarHBondContact O-N 2.83Å; K29-L33 PolarHBondContact O-N 3.12Å; K29-D66 WeakPolarHBondContact CB-OD1 3.4Å; K29-I67 WeakPolarHBondContact CE-O 3.19Å; K29-V90 HydrophobicContact CB-CG2 4.43Å; K29-V90 HydrophobicContact CG-CB 3.83Å; K29-V90 HydrophobicContact CG-CG2 3.82Å
30T95.1Very high92.9Very high18 Ų1836.4 Ų36.411%0.1119%0.187CC..Hα-helixtrans-64.6-37-179.8-39.50000111.7L33 Y34 T44 T47 D66T30-L33 PolarHBondContact O-N 2.97Å; T30-Y34 HydrophobicContact CG2-CD2 3.84Å; T30-Y34 HydrophobicContact CG2-CE2 3.6Å; T30-Y34 VanDerWaalsContact O-CD2 3.28Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 2.83Å; T30-T44 HydrophobicContact CG2-CG2 3.7Å; T30-T47 PolarHBondContact OG1-OG1 3.32Å; T30-D66 WeakPolarHBondContact CB-OD2 3.38Å; T30-D66 PolarHBondContact OG1-OD2 2.95Å
31T95.9Very high91.4Very high17 Ų1739.6 Ų39.610%0.10421%0.206CC..Hα-helixtrans-62-43.6174-45.50000111.4G28 K29 Y34 Q35 A159 L160G28-T31 PolarHBondContact O-N 3.37Å; K29-T31 VanDerWaalsContact C-N 3.31Å; K29-T31 PolarHBondContact O-N 3.45Å; T31-Y34 PolarHBondContact O-N 3.13Å; T31-Q35 VanDerWaalsContact O-CB 3.26Å; T31-Q35 WeakPolarHBondContact O-CB 3.39Å; T31-Q35 PolarHBondContact O-N 3.29Å; T31-A159 HydrophobicContact CG2-CB 3.78Å; T31-L160 HydrophobicContact CG2-CD2 4.07Å
32I96.6Very high90.2Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-61.6-44.6174.9-71.8174.1000111G28 K29 Y34 Q35 F36 V90 F123 A159 L165G28-I32 WeakPolarHBondContact O-CG1 3.19Å; G28-I32 PolarHBondContact O-N 2.94Å; K29-I32 WeakPolarHBondContact O-CB 3.44Å; K29-I32 PolarHBondContact O-N 2.83Å; I32-Y34 PolarHBondContact O-N 2.95Å; I32-Q35 PolarHBondContact O-N 2.77Å; I32-F36 HydrophobicContact CG2-CD2 3.95Å; I32-F36 HydrophobicContact CG2-CE2 3.35Å; I32-F36 HydrophobicContact CG2-CZ 3.71Å; I32-F36 WeakPolarHBondContact O-CD2 3.4Å; I32-F36 WeakPolarHBondContact O-CG 3.43Å; I32-F36 PolarHBondContact O-N 3.32Å; I32-V90 HydrophobicContact CD1-CG1 3.72Å; I32-V90 HydrophobicContact CD1-CG2 3.91Å; I32-F123 HydrophobicContact CD1-CB 4.17Å; I32-F123 HydrophobicContact CD1-CD2 4Å; I32-F123 HydrophobicContact CD1-CG 4.22Å; I32-F123 HydrophobicContact CG2-CD2 4.46Å; I32-F123 HydrophobicContact CG2-CE2 4.29Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.57Å; I32-L165 HydrophobicContact CD1-CD2 4.12Å; I32-L165 HydrophobicContact CG1-CD1 4.44Å; I32-L165 HydrophobicContact CG1-CD2 3.97Å; I32-L165 HydrophobicContact CG2-CD1 4.42Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å
33L94.9Very high89.2Confident0 Ų050.4 Ų50.40%026%0.259CS..Hα-helixtrans-58.5-48.3178.2-176.563.5000111.7I21 K29 T30 F36 L37 E53 I55 M64 D66I21-L33 HydrophobicContact CD1-CB 4.25Å; I21-L33 HydrophobicContact CD1-CD1 4.01Å; K29-L33 PolarHBondContact O-N 3.12Å; T30-L33 PolarHBondContact O-N 2.97Å; L33-F36 WeakPolarHBondContact O-CB 3.08Å; L33-F36 PolarHBondContact O-N 3.44Å; L33-L37 PolarHBondContact O-N 3.36Å; L33-L37 VanDerWaalsContact O-N 3.13Å; L33-E53 HydrophobicContact CD1-CB 4.09Å; L33-E53 HydrophobicContact CD1-CG 4.43Å; L33-E53 HydrophobicContact CD2-CB 4.31Å; L33-E53 HydrophobicContact CD2-CG 3.83Å; L33-E53 HydrophobicContact CG-CB 4.37Å; L33-E53 HydrophobicContact CG-CG 4.17Å; L33-I55 HydrophobicContact CD1-CD1 4.37Å; L33-I55 HydrophobicContact CD1-CG1 4.27Å; L33-M64 HydrophobicContact CD1-CB 3.78Å; L33-M64 HydrophobicContact CD1-CG 4.45Å; L33-M64 HydrophobicContact CD1-SD 4.05Å; L33-D66 HydrophobicContact CD2-CB 3.78Å
34Y92.3Very high88.3Confident53 Ų5352.9 Ų52.921%0.20827%0.274CS..Hα-helixtrans-69.7-32.5177.6-77.1-60.3000113T30 T31 I32 F36 L37 M38 V42 T44T30-Y34 HydrophobicContact CG2-CD2 3.84Å; T30-Y34 HydrophobicContact CG2-CE2 3.6Å; T30-Y34 VanDerWaalsContact O-CD2 3.28Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 2.83Å; T31-Y34 PolarHBondContact O-N 3.13Å; I32-Y34 PolarHBondContact O-N 2.95Å; Y34-F36 VanDerWaalsContact C-N 3.26Å; Y34-F36 PolarHBondContact O-N 2.75Å; Y34-L37 HydrophobicContact CD1-CD2 4.25Å; Y34-L37 HydrophobicContact CE1-CD2 4.37Å; Y34-L37 PolarHBondContact O-N 3.19Å; Y34-L37 VanDerWaalsContact O-N 3.14Å; Y34-M38 HydrophobicContact CD1-CE 3.92Å; Y34-M38 HydrophobicContact CD1-SD 4.18Å; Y34-M38 HydrophobicContact CE1-CE 4.07Å; Y34-M38 PolarHBondContact O-N 3.47Å; Y34-V42 HydrophobicContact CD1-CG2 4.43Å; Y34-V42 HydrophobicContact CD2-CB 4.22Å; Y34-V42 HydrophobicContact CD2-CG1 4.37Å; Y34-V42 HydrophobicContact CG-CB 4.16Å; Y34-V42 HydrophobicContact CG-CG2 4.08Å; Y34-T44 HydrophobicContact CD2-CG2 3.86Å; Y34-T44 HydrophobicContact CE2-CG2 4.11Å
35Q93.6Very high87.4Confident13 Ų1357.4 Ų57.46%0.06131%0.307CS..Hα-helixtrans-62.1-37173.6-167.864.630.900110.9T31 I32 N39 E40 A159 L165T31-Q35 VanDerWaalsContact O-CB 3.26Å; T31-Q35 WeakPolarHBondContact O-CB 3.39Å; T31-Q35 PolarHBondContact O-N 3.29Å; I32-Q35 PolarHBondContact O-N 2.77Å; Q35-N39 VanDerWaalsContact O-CA 3.32Å; Q35-N39 WeakPolarHBondContact O-CA 3.23Å; Q35-N39 PolarHBondContact O-N 2.99Å; Q35-N39 VanDerWaalsContact O-N 3.13Å; Q35-E40 PolarHBondContact OE1-O 2.89Å; Q35-A159 PolarHBondContact OE1-O 2.98Å; Q35-L165 HydrophobicContact CB-CD1 3.86Å; Q35-L165 HydrophobicContact CG-CD1 3.58Å
36F89.7Confident86.7Confident37 Ų3759.8 Ų59.816%0.16232%0.324CS..Hα-helixtrans-67.6-38.7172.2-66.1-39.5000113.4I32 L33 Y34 I55 M64 F123 L165 L169I32-F36 HydrophobicContact CG2-CD2 3.95Å; I32-F36 HydrophobicContact CG2-CE2 3.35Å; I32-F36 HydrophobicContact CG2-CZ 3.71Å; I32-F36 WeakPolarHBondContact O-CD2 3.4Å; I32-F36 WeakPolarHBondContact O-CG 3.43Å; I32-F36 PolarHBondContact O-N 3.32Å; L33-F36 WeakPolarHBondContact O-CB 3.08Å; L33-F36 PolarHBondContact O-N 3.44Å; Y34-F36 VanDerWaalsContact C-N 3.26Å; Y34-F36 PolarHBondContact O-N 2.75Å; F36-I55 HydrophobicContact CB-CD1 3.83Å; F36-I55 HydrophobicContact CB-CG1 4.1Å; F36-I55 HydrophobicContact CB-CG2 3.92Å; F36-I55 HydrophobicContact CG-CG2 4.49Å; F36-M64 HydrophobicContact CD2-CE 4.27Å; F36-M64 HydrophobicContact CD2-SD 4.01Å; F36-M64 HydrophobicContact CE2-CE 4.34Å; F36-M64 HydrophobicContact CE2-SD 4.29Å; F36-F123 HydrophobicContact CZ-CE2 4.02Å; F36-F123 HydrophobicContact CZ-CZ 4.12Å; F36-L165 HydrophobicContact CD1-CB 4.48Å; F36-L165 HydrophobicContact CE1-CB 3.63Å; F36-L165 HydrophobicContact CE1-CD1 4.22Å; F36-L165 HydrophobicContact CE1-CG 4.43Å; F36-L165 HydrophobicContact CZ-CB 4.23Å; F36-L169 HydrophobicContact CD1-CD1 3.38Å; F36-L169 HydrophobicContact CD1-CG 4.21Å; F36-L169 HydrophobicContact CE1-CD1 3.12Å; F36-L169 HydrophobicContact CE1-CD2 4.05Å; F36-L169 HydrophobicContact CE1-CG 3.48Å; F36-L169 VanDerWaalsContact CE1-CG 3.48Å; F36-L169 HydrophobicContact CE2-CD1 4.4Å; F36-L169 HydrophobicContact CE2-CD2 4.03Å; F36-L169 HydrophobicContact CE2-CG 4.36Å; F36-L169 HydrophobicContact CG-CD1 4.12Å; F36-L169 HydrophobicContact CZ-CD1 3.72Å; F36-L169 HydrophobicContact CZ-CD2 3.72Å; F36-L169 HydrophobicContact CZ-CG 3.58Å
37L87Confident86Confident71 Ų7155.7 Ų55.737%0.37230%0.303SS..Hα-helixtrans-77.2-43.1-174.2-176.463.1000113L33 Y34 E53 I55L33-L37 PolarHBondContact O-N 3.36Å; L33-L37 VanDerWaalsContact O-N 3.13Å; Y34-L37 HydrophobicContact CD1-CD2 4.25Å; Y34-L37 HydrophobicContact CE1-CD2 4.37Å; Y34-L37 PolarHBondContact O-N 3.19Å; Y34-L37 VanDerWaalsContact O-N 3.14Å; L37-E53 HydrophobicContact CD2-CG 4.43Å; L37-I55 HydrophobicContact CB-CD1 3.98Å; L37-I55 HydrophobicContact CD1-CD1 4.22Å
38M84.5Confident85.2Confident94 Ų9462.6 Ų62.646%0.46334%0.338SS..Hα-helixtrans-115.1-13.1-166.3-58.6-177.4177.400113Y34 E40 V42Y34-M38 HydrophobicContact CD1-CE 3.92Å; Y34-M38 HydrophobicContact CD1-SD 4.18Å; Y34-M38 HydrophobicContact CE1-CE 4.07Å; Y34-M38 PolarHBondContact O-N 3.47Å; M38-E40 HydrophobicContact CB-CB 4.28Å; M38-E40 PolarHBondContact O-N 2.86Å; M38-E40 VanDerWaalsContact O-N 3.14Å; M38-V42 HydrophobicContact SD-CG2 3.96Å
39N78.4Confident84.8Confident132 Ų13263.5 Ų63.571%0.70635%0.348SS*.SBendtrans52.826.4-168.8-161.849.5000113Q35Q35-N39 VanDerWaalsContact O-CA 3.32Å; Q35-N39 WeakPolarHBondContact O-CA 3.23Å; Q35-N39 PolarHBondContact O-N 2.99Å; Q35-N39 VanDerWaalsContact O-N 3.13Å
40E69.7Low84.4Confident137 Ų13765 Ų6564%0.6436%0.36SS*.SBendtrans-134150.9-179-72.2-172.6175.100110.2Q35 M38 V42Q35-E40 PolarHBondContact OE1-O 2.89Å; M38-E40 HydrophobicContact CB-CB 4.28Å; M38-E40 PolarHBondContact O-N 2.86Å; M38-E40 VanDerWaalsContact O-N 3.14Å; E40-V42 PolarHBondContact O-N 2.82Å
41V67.9Low84.1Confident66 Ų6666.6 Ų66.640%0.437%0.368SS..  trans-79.6114.9177.5-175.90000109.9L160V41-L160 HydrophobicContact CG1-CD2 3.58Å; V41-L160 HydrophobicContact CG2-CB 4.39Å; V41-L160 WeakPolarHBondContact CG2-O 3.46Å
42V73.3Confident84Confident47 Ų4768 Ų6829%0.28538%0.376SS..  trans-99.5125170.1-175.90000108.9Y34 M38 E40 T44Y34-V42 HydrophobicContact CD1-CG2 4.43Å; Y34-V42 HydrophobicContact CD2-CB 4.22Å; Y34-V42 HydrophobicContact CD2-CG1 4.37Å; Y34-V42 HydrophobicContact CG-CB 4.16Å; Y34-V42 HydrophobicContact CG-CG2 4.08Å; M38-V42 HydrophobicContact SD-CG2 3.96Å; E40-V42 PolarHBondContact O-N 2.82Å; V42-T44 HydrophobicContact CB-CG2 4.5Å; V42-T44 HydrophobicContact CG1-CG2 4.24Å; V42-T44 PolarHBondContact O-N 2.8Å
43H76Confident83.8Confident181 Ų18170.5 Ų70.584%0.83839%0.388SS*.  trans-70.1121.5167.7-75.2-66.4000109.4
44T79.6Confident83.7Confident53 Ų5375 Ų7533%0.32541%0.409SS..  trans-118.4142-174.157.10000111.5T30 Y34 V42T30-T44 HydrophobicContact CG2-CG2 3.7Å; Y34-T44 HydrophobicContact CD2-CG2 3.86Å; Y34-T44 HydrophobicContact CE2-CG2 4.11Å; V42-T44 HydrophobicContact CB-CG2 4.5Å; V42-T44 HydrophobicContact CG1-CG2 4.24Å; V42-T44 PolarHBondContact O-N 2.8Å
45S80.1Confident83.6Confident103 Ų10372.8 Ų72.872%0.7240%0.4SS*.PPolyproline II helixtrans-84.3161.6164-66.10000110.6T47S45-T47 PolarHBondContact O-N 2.87Å
46P78.8Confident83.4Confident95 Ų9575.9 Ų75.962%0.61742%0.42SS*.PPolyproline II helixtrans-54.2127.1175-26.335.1000112.6
47T80.4Confident83.2Confident26 Ų2675.2 Ų75.216%0.1642%0.419CS..PPolyproline II helixtrans-63.4133.9177.2-47.80000111.4T30 S45 D66 Q70T30-T47 PolarHBondContact OG1-OG1 3.32Å; S45-T47 PolarHBondContact O-N 2.87Å; T47-D66 PolarHBondContact OG1-OD2 2.69Å; T47-D66 VanDerWaalsContact OG1-OD2 3.14Å; T47-Q70 PolarHBondContact O-NE2 3.17Å
48I81.4Confident83.1Confident147 Ų14778.9 Ų78.975%0.75443%0.432SS*.SBendtrans-103.4120.4169.5-58.5176.5000107.3S50I48-S50 PolarHBondContact O-N 3.27Å
49G88Confident83Confident32 Ų3280 Ų8033%0.3344%0.44SS..SBendtrans76.7-119.6-176.400000112.4G68G49-G68 PolarHBondContact O-N 2.98Å
50S89.3Confident83.4Confident44 Ų4474.9 Ų74.931%0.30841%0.414SS..EExtended strand (participates in β ladder)trans-144.3148.5-179.659.20000113.3I48 D66 Y80I48-S50 PolarHBondContact O-N 3.27Å; S50-D66 CarbonylContact C-O 3.54Å; S50-D66 WeakPolarHBondContact CA-O 3.4Å; S50-Y80 WeakPolarHBondContact CB-OH 3.42Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.27Å; S50-Y80 PolarHBondContact OG-OH 2.88Å
51N89.5Confident84.4Confident50 Ų5070.6 Ų70.627%0.26739%0.394SS..EExtended strand (participates in β ladder)trans-112.4151.9164.8-168.950000110.4E53 W65 D66N51-E53 WeakPolarHBondContact ND2-CG 3.08Å; N51-E53 PolarHBondContact ND2-OE1 3.21Å; N51-W65 CarbonylContact O-C 3.51Å; N51-W65 WeakPolarHBondContact O-CA 3.49Å; N51-D66 PolarHBondContact N-O 2.83Å; N51-D66 PolarHBondContact O-N 2.87Å
52V92.3Very high85.7Confident47 Ų4767.5 Ų67.529%0.28538%0.375SS..EExtended strand (participates in β ladder)trans-130.4127.3177.3-169.90000109.8L63 M64 W65V52-L63 HydrophobicContact CG1-CD1 3.53Å; V52-L63 HydrophobicContact CG1-CD2 4.48Å; V52-L63 HydrophobicContact CG1-CG 3.81Å; V52-M64 WeakPolarHBondContact CA-O 3.43Å; V52-W65 HydrophobicContact CB-CD2 4.47Å; V52-W65 HydrophobicContact CG1-CD2 4.27Å; V52-W65 HydrophobicContact CG1-CZ2 4.32Å; V52-W65 HydrophobicContact CG2-CD2 3.4Å; V52-W65 HydrophobicContact CG2-CE3 3.16Å; V52-W65 HydrophobicContact CG2-CG 4.12Å; V52-W65 HydrophobicContact CG2-CH2 3.66Å; V52-W65 HydrophobicContact CG2-CZ2 3.86Å; V52-W65 HydrophobicContact CG2-CZ3 3.3Å
53E93.2Very high86.8Confident53 Ų5367.7 Ų67.725%0.24837%0.374CS..EExtended strand (participates in β ladder)trans-133.5150.9174-57.4-66.6168.400110.4L33 L37 N51 M64L33-E53 HydrophobicContact CD1-CB 4.09Å; L33-E53 HydrophobicContact CD1-CG 4.43Å; L33-E53 HydrophobicContact CD2-CB 4.31Å; L33-E53 HydrophobicContact CD2-CG 3.83Å; L33-E53 HydrophobicContact CG-CB 4.37Å; L33-E53 HydrophobicContact CG-CG 4.17Å; L37-E53 HydrophobicContact CD2-CG 4.43Å; N51-E53 WeakPolarHBondContact ND2-CG 3.08Å; N51-E53 PolarHBondContact ND2-OE1 3.21Å; E53-M64 PolarHBondContact N-O 3.46Å; E53-M64 VanDerWaalsContact N-O 3.1Å; E53-M64 PolarHBondContact O-N 3.25Å
54E92.4Very high87.7Confident93 Ų9359 Ų5944%0.43533%0.334SS..EExtended strand (participates in β ladder)trans-94.1122.6171.6-173.9-176.2-177.900109.8V56 H61 F62E54-V56 HydrophobicContact CG-CG2 4.44Å; E54-H61 IonicContact OE1-CE1 3.82Å; E54-H61 IonicContact OE1-CG 2.69Å; E54-H61 IonicContact OE1-ND1 3.62Å; E54-H61 PolarHBondContact OE1-ND1 3.09Å; E54-F62 WeakPolarHBondContact CA-O 3.49Å
55I90.8Very high88.6Confident7 Ų759.7 Ų59.74%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-113.9121.1175.9-54.6-57.8000108.9L33 F36 L37 V57 F62 M64L33-I55 HydrophobicContact CD1-CD1 4.37Å; L33-I55 HydrophobicContact CD1-CG1 4.27Å; F36-I55 HydrophobicContact CB-CD1 3.83Å; F36-I55 HydrophobicContact CB-CG1 4.1Å; F36-I55 HydrophobicContact CB-CG2 3.92Å; F36-I55 HydrophobicContact CG-CG2 4.49Å; L37-I55 HydrophobicContact CB-CD1 3.98Å; L37-I55 HydrophobicContact CD1-CD1 4.22Å; I55-V57 HydrophobicContact CG2-CG2 4.06Å; I55-F62 PolarHBondContact N-O 3.34Å; I55-F62 PolarHBondContact O-N 3.13Å; I55-M64 HydrophobicContact CB-CE 3.92Å; I55-M64 HydrophobicContact CB-SD 4.25Å; I55-M64 HydrophobicContact CG1-CE 4.04Å; I55-M64 HydrophobicContact CG1-CG 4.12Å; I55-M64 HydrophobicContact CG1-SD 3.69Å; I55-M64 HydrophobicContact CG2-CE 4.22Å
56V88.8Confident89.3Confident78 Ų7854.8 Ų54.847%0.47330%0.296SS..EExtended strand (participates in β ladder)trans-101.3116178.1-174.20000109.6E54E54-V56 HydrophobicContact CG-CG2 4.44Å
57V86.5Confident90Very high24 Ų2450.4 Ų50.415%0.14527%0.267CS..EExtended strand (participates in β ladder)trans-114.4112.4175.7-172.50000108.2I55 N59 T60 F62 L169I55-V57 HydrophobicContact CG2-CG2 4.06Å; V57-N59 PolarHBondContact O-N 3.46Å; V57-N59 VanDerWaalsContact O-N 3.12Å; V57-T60 PolarHBondContact N-O 3.31Å; V57-T60 PolarHBondContact O-N 3.45Å; V57-F62 HydrophobicContact CB-CD2 4.45Å; V57-F62 HydrophobicContact CB-CE2 4.07Å; V57-F62 HydrophobicContact CG2-CD2 3.98Å; V57-F62 HydrophobicContact CG2-CE2 3.95Å; V57-L169 HydrophobicContact CG1-CB 4.5Å; V57-L169 HydrophobicContact CG2-CB 4.38Å; V57-L169 HydrophobicContact CG2-CD1 3.72Å; V57-L169 HydrophobicContact CG2-CD2 4.41Å; V57-L169 HydrophobicContact CG2-CG 4.41Å
58K83.3Confident90.6Very high147 Ų14749.2 Ų49.264%0.63926%0.26SS*.THydrogen-bonded Turntrans57.8-111.8-170-57.9170.7-178167.70109.4E170K58-E170 IonicContact NZ-OE1 4Å
59N84.1Confident91.1Very high118 Ų11842.3 Ų42.363%0.63123%0.226SC*.THydrogen-bonded Turntrans-114.720.5176.5-61.9-20.7000111.7V57V57-N59 PolarHBondContact O-N 3.46Å; V57-N59 VanDerWaalsContact O-N 3.12Å
60T86.4Confident91.3Very high25 Ų2543.6 Ų43.615%0.15322%0.223CC..EExtended strand (participates in β ladder)trans-109.3124.7-179.6-56.20000109.2H17 V57 F62 A176H17-T60 VanDerWaalsContact CD2-CG2 3.44Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.23Å; V57-T60 PolarHBondContact N-O 3.31Å; V57-T60 PolarHBondContact O-N 3.45Å; T60-F62 HydrophobicContact CG2-CD2 4.31Å; T60-F62 HydrophobicContact CG2-CE1 4.03Å; T60-F62 HydrophobicContact CG2-CE2 3.68Å; T60-F62 HydrophobicContact CG2-CZ 3.52Å; T60-A176 HydrophobicContact CG2-CB 4.06Å
61H91.3Very high91.4Very high47 Ų4749 Ų4922%0.21824%0.243CC..EExtended strand (participates in β ladder)trans-96.9121.6-178.3-67.5-108.2000109.4E16 H17 E54E16-H61 HydrophobicContact CG-CB 4.29Å; H17-H61 PolarHBondContact N-O 3.14Å; E54-H61 IonicContact OE1-CE1 3.82Å; E54-H61 IonicContact OE1-CG 2.69Å; E54-H61 IonicContact OE1-ND1 3.62Å; E54-H61 PolarHBondContact OE1-ND1 3.09Å
62F94.1Very high91.5Very high0 Ų050.9 Ų50.90%026%0.261CS..EExtended strand (participates in β ladder)trans-112119.8175.9-64.8-76.2000109.9H17 V19 E54 I55 V57 T60 M64 F86 M172H17-F62 HydrophobicContact CB-CD1 3.74Å; H17-F62 HydrophobicContact CB-CE1 4.03Å; H17-F62 WeakPolarHBondContact O-CA 3.28Å; V19-F62 HydrophobicContact CG2-CB 3.97Å; V19-F62 HydrophobicContact CG2-CD1 3.6Å; V19-F62 HydrophobicContact CG2-CG 4.2Å; E54-F62 WeakPolarHBondContact CA-O 3.49Å; I55-F62 PolarHBondContact N-O 3.34Å; I55-F62 PolarHBondContact O-N 3.13Å; V57-F62 HydrophobicContact CB-CD2 4.45Å; V57-F62 HydrophobicContact CB-CE2 4.07Å; V57-F62 HydrophobicContact CG2-CD2 3.98Å; V57-F62 HydrophobicContact CG2-CE2 3.95Å; T60-F62 HydrophobicContact CG2-CD2 4.31Å; T60-F62 HydrophobicContact CG2-CE1 4.03Å; T60-F62 HydrophobicContact CG2-CE2 3.68Å; T60-F62 HydrophobicContact CG2-CZ 3.52Å; F62-M64 HydrophobicContact CB-CE 3.68Å; F62-M64 HydrophobicContact CB-CG 4.09Å; F62-M64 HydrophobicContact CD2-CE 4.4Å; F62-M64 HydrophobicContact CG-CE 4.11Å; F62-M64 PolarHBondContact O-N 3.05Å; F62-F86 HydrophobicContact CE1-CD2 4.16Å; F62-F86 HydrophobicContact CE1-CE2 4.03Å; F62-M172 HydrophobicContact CD1-CE 3.97Å; F62-M172 HydrophobicContact CE1-CB 4.31Å; F62-M172 HydrophobicContact CE1-CE 3.82Å; F62-M172 HydrophobicContact CZ-CB 4.11Å; F62-M172 HydrophobicContact CZ-CE 4.43Å
63L95.8Very high91.3Very high51 Ų5150.4 Ų50.427%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-92100.9171.5-170.466.9000108.6H17 V19 V52H17-L63 PolarHBondContact O-N 3.31Å; V19-L63 PolarHBondContact N-O 2.98Å; V52-L63 HydrophobicContact CG1-CD1 3.53Å; V52-L63 HydrophobicContact CG1-CD2 4.48Å; V52-L63 HydrophobicContact CG1-CG 3.81Å
64M96.7Very high91.3Very high0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-99.2120.2-169.9-60-164.217800111.9V19 I21 L33 F36 V52 E53 I55 F62 L169V19-M64 HydrophobicContact CB-CB 4.49Å; V19-M64 HydrophobicContact CB-CG 4.01Å; V19-M64 HydrophobicContact CG1-CG 4.42Å; V19-M64 HydrophobicContact CG2-CG 4.27Å; V19-M64 WeakPolarHBondContact O-CA 3.4Å; I21-M64 HydrophobicContact CD1-CB 4.12Å; I21-M64 HydrophobicContact CD1-SD 4.04Å; I21-M64 HydrophobicContact CG1-CB 4.48Å; L33-M64 HydrophobicContact CD1-CB 3.78Å; L33-M64 HydrophobicContact CD1-CG 4.45Å; L33-M64 HydrophobicContact CD1-SD 4.05Å; F36-M64 HydrophobicContact CD2-CE 4.27Å; F36-M64 HydrophobicContact CD2-SD 4.01Å; F36-M64 HydrophobicContact CE2-CE 4.34Å; F36-M64 HydrophobicContact CE2-SD 4.29Å; V52-M64 WeakPolarHBondContact CA-O 3.43Å; E53-M64 PolarHBondContact N-O 3.46Å; E53-M64 VanDerWaalsContact N-O 3.1Å; E53-M64 PolarHBondContact O-N 3.25Å; I55-M64 HydrophobicContact CB-CE 3.92Å; I55-M64 HydrophobicContact CB-SD 4.25Å; I55-M64 HydrophobicContact CG1-CE 4.04Å; I55-M64 HydrophobicContact CG1-CG 4.12Å; I55-M64 HydrophobicContact CG1-SD 3.69Å; I55-M64 HydrophobicContact CG2-CE 4.22Å; F62-M64 HydrophobicContact CB-CE 3.68Å; F62-M64 HydrophobicContact CB-CG 4.09Å; F62-M64 HydrophobicContact CD2-CE 4.4Å; F62-M64 HydrophobicContact CG-CE 4.11Å; F62-M64 PolarHBondContact O-N 3.05Å; M64-L169 HydrophobicContact CE-CD2 3.84Å
65W96.8Very high91.2Very high67 Ų6748.6 Ų48.625%0.25426%0.257SS..EExtended strand (participates in β ladder)trans-97.1104.8175.2-64.373.1000109.8V19 I20 I21 N51 V52 I67 Y80V19-W65 PolarHBondContact O-N 2.65Å; I20-W65 HydrophobicContact CG2-CB 4.41Å; I21-W65 PolarHBondContact N-O 2.91Å; N51-W65 CarbonylContact O-C 3.51Å; N51-W65 WeakPolarHBondContact O-CA 3.49Å; V52-W65 HydrophobicContact CB-CD2 4.47Å; V52-W65 HydrophobicContact CG1-CD2 4.27Å; V52-W65 HydrophobicContact CG1-CZ2 4.32Å; V52-W65 HydrophobicContact CG2-CD2 3.4Å; V52-W65 HydrophobicContact CG2-CE3 3.16Å; V52-W65 HydrophobicContact CG2-CG 4.12Å; V52-W65 HydrophobicContact CG2-CH2 3.66Å; V52-W65 HydrophobicContact CG2-CZ2 3.86Å; V52-W65 HydrophobicContact CG2-CZ3 3.3Å; W65-I67 HydrophobicContact CB-CG1 4.48Å; W65-Y80 HydrophobicContact CD2-CD1 4.04Å; W65-Y80 HydrophobicContact CD2-CE1 4.42Å; W65-Y80 AromaticContact CE3-CD1 3.46Å; W65-Y80 HydrophobicContact CE3-CD1 3.46Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.46Å; W65-Y80 AromaticContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CE3-CE1 3.42Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CZ3-CD1 4.02Å; W65-Y80 AromaticContact CZ3-CE1 3.73Å; W65-Y80 HydrophobicContact CZ3-CE1 3.73Å
66D95.1Very high91.3Very high0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-81116.4169.7174.240.7000109.8K29 T30 L33 T47 S50 N51K29-D66 WeakPolarHBondContact CB-OD1 3.4Å; T30-D66 WeakPolarHBondContact CB-OD2 3.38Å; T30-D66 PolarHBondContact OG1-OD2 2.95Å; L33-D66 HydrophobicContact CD2-CB 3.78Å; T47-D66 PolarHBondContact OG1-OD2 2.69Å; T47-D66 VanDerWaalsContact OG1-OD2 3.14Å; S50-D66 CarbonylContact C-O 3.54Å; S50-D66 WeakPolarHBondContact CA-O 3.4Å; N51-D66 PolarHBondContact N-O 2.83Å; N51-D66 PolarHBondContact O-N 2.87Å
67I94.9Very high91.6Very high2 Ų246.7 Ų46.71%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-108.8137.5-172.4-53.1167.9000109.9I20 I21 V22 K29 W65 G69 W77 Y80I20-I67 HydrophobicContact CB-CD1 4.04Å; I20-I67 HydrophobicContact CG2-CD1 4.26Å; I21-I67 PolarHBondContact O-N 2.89Å; I21-I67 VanDerWaalsContact O-N 3.14Å; V22-I67 HydrophobicContact CG1-CD1 3.95Å; K29-I67 WeakPolarHBondContact CE-O 3.19Å; W65-I67 HydrophobicContact CB-CG1 4.48Å; I67-G69 PolarHBondContact O-N 3.14Å; I67-W77 HydrophobicContact CG2-CG 4.3Å; I67-Y80 HydrophobicContact CD1-CD1 4.37Å; I67-Y80 HydrophobicContact CD1-CD2 3.6Å; I67-Y80 HydrophobicContact CD1-CE2 4.32Å; I67-Y80 HydrophobicContact CD1-CG 3.62Å; I67-Y80 HydrophobicContact CG1-CD2 4.07Å; I67-Y80 HydrophobicContact CG1-CE2 4.32Å; I67-Y80 HydrophobicContact CG1-CG 4.19Å; I67-Y80 HydrophobicContact CG2-CD2 4.27Å; I67-Y80 HydrophobicContact CG2-CE2 4.06Å
68G91.9Very high92Very high1 Ų149 Ų491%0.0126%0.259CS..  trans-53.1128.8176.400000112.9G49 W77G49-G68 PolarHBondContact O-N 2.98Å; G68-W77 PolarHBondContact O-NE1 3.08Å
69G92.3Very high92.6Very high3 Ų346.7 Ų46.73%0.03126%0.257CS..  trans-96.9-0.6-175.600000115.8G23 D25 I67 R74G23-G69 WeakPolarHBondContact O-CA 3.46Å; D25-G69 PolarHBondContact N-O 2.77Å; D25-G69 VanDerWaalsContact N-O 3.12Å; I67-G69 PolarHBondContact O-N 3.14Å; G69-R74 PolarHBondContact O-NE 2.82Å; G69-R74 PolarHBondContact O-NH2 3.37Å
70Q92Very high93.3Very high59 Ų5942.8 Ų42.828%0.27623%0.234SC..SBendtrans-64.4145.6-179.9-58.1171.428.700109.6D25 T47 S72 L73 R74D25-Q70 HydrophobicContact CB-CG 4.17Å; T47-Q70 PolarHBondContact O-NE2 3.17Å; Q70-S72 VanDerWaalsContact C-N 3.27Å; Q70-S72 PolarHBondContact O-N 3.09Å; Q70-L73 HydrophobicContact CB-CD1 4.16Å; Q70-L73 HydrophobicContact CB-CG 4.25Å; Q70-L73 HydrophobicContact CG-CD1 4.37Å; Q70-L73 WeakPolarHBondContact O-CA 3.38Å; Q70-L73 WeakPolarHBondContact O-CB 3.36Å; Q70-L73 PolarHBondContact O-N 2.78Å; Q70-R74 WeakPolarHBondContact O-CG 3.37Å; Q70-R74 PolarHBondContact O-N 3.2Å
71E91.4Very high93.8Very high156 Ų15642 Ų4273%0.72923%0.228SC*.Hα-helixtrans-50-45.5-176.3-174.7177.317800113.3L73 R74E71-L73 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact O-N 3.15Å; E71-R74 PolarHBondContact O-N 3.06Å
72S90.5Very high94Very high91 Ų9142.4 Ų42.464%0.63624%0.236SC*.Hα-helixtrans-64.2-16.4178.356.20000114.8Q70Q70-S72 VanDerWaalsContact C-N 3.27Å; Q70-S72 PolarHBondContact O-N 3.09Å
73L89.4Confident94Very high36 Ų3648.7 Ų48.719%0.18827%0.27CS..Hα-helixtrans-102.7-15.5-178.4-59.4179.2000112.8Q70 E71 S75 S76Q70-L73 HydrophobicContact CB-CD1 4.16Å; Q70-L73 HydrophobicContact CB-CG 4.25Å; Q70-L73 HydrophobicContact CG-CD1 4.37Å; Q70-L73 WeakPolarHBondContact O-CA 3.38Å; Q70-L73 WeakPolarHBondContact O-CB 3.36Å; Q70-L73 PolarHBondContact O-N 2.78Å; E71-L73 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact O-N 3.15Å; L73-S75 PolarHBondContact O-N 3.32Å; L73-S76 PolarHBondContact O-N 3.01Å; L73-S76 VanDerWaalsContact O-N 3.11Å; L73-S76 PolarHBondContact O-OG 3.12Å
74R92.6Very high94.1Very high19 Ų1946.7 Ų46.77%0.07226%0.259CS..Hα-helixtrans-64.6-29.5-175.1-63.7178.6-162.1142.95.4113D25 G69 Q70 E71 S76 W77D25-R74 IonicContact OD1-NH2 2.95Å; D25-R74 PolarHBondContact OD1-NH2 2.99Å; D25-R74 VanDerWaalsContact OD1-NH2 3.11Å; G69-R74 PolarHBondContact O-NE 2.82Å; G69-R74 PolarHBondContact O-NH2 3.37Å; Q70-R74 WeakPolarHBondContact O-CG 3.37Å; Q70-R74 PolarHBondContact O-N 3.2Å; E71-R74 PolarHBondContact O-N 3.06Å; R74-S76 PolarHBondContact O-N 3.09Å; R74-W77 HydrophobicContact CB-CZ2 4.48Å; R74-W77 HydrophobicContact CG-CH2 4.33Å; R74-W77 HydrophobicContact CG-CZ2 3.81Å; R74-W77 WeakPolarHBondContact O-CB 3.34Å; R74-W77 PolarHBondContact O-N 3.15Å
75S90.9Very high94.1Very high90 Ų9048.1 Ų48.163%0.62927%0.266SS*.THydrogen-bonded Turntrans-65-19.6177590000113.9L73 N78L73-S75 PolarHBondContact O-N 3.32Å; S75-N78 PolarHBondContact O-OD1 3.48Å; S75-N78 VanDerWaalsContact O-OD1 3.14Å
76S91.8Very high94.2Very high42 Ų4245.2 Ų45.229%0.29426%0.255SS..THydrogen-bonded Turntrans-96.2-1.4-179.868.30000113.9L73 R74 N78 T79L73-S76 PolarHBondContact O-N 3.01Å; L73-S76 VanDerWaalsContact O-N 3.11Å; L73-S76 PolarHBondContact O-OG 3.12Å; R74-S76 PolarHBondContact O-N 3.09Å; S76-N78 PolarHBondContact O-N 3.39Å; S76-N78 VanDerWaalsContact O-N 3.16Å; S76-T79 WeakPolarHBondContact O-CB 3.36Å; S76-T79 WeakPolarHBondContact O-CG2 3.42Å; S76-T79 PolarHBondContact O-N 2.81Å; S76-T79 PolarHBondContact O-OG1 3.22Å
77W95.9Very high94.4Very high3 Ų345.3 Ų45.31%0.01126%0.256CS..G310 helixtrans-55.8-34.8178.4-72.35.2000112.3V22 I67 G68 R74 T79 Y80 Y81 E105 M109V22-W77 HydrophobicContact CB-CD2 4.45Å; V22-W77 HydrophobicContact CB-CE3 4.21Å; V22-W77 HydrophobicContact CB-CH2 4.1Å; V22-W77 HydrophobicContact CB-CZ2 4.33Å; V22-W77 HydrophobicContact CB-CZ3 4.02Å; V22-W77 HydrophobicContact CG1-CD2 4.16Å; V22-W77 HydrophobicContact CG1-CE3 4.19Å; I67-W77 HydrophobicContact CG2-CG 4.3Å; G68-W77 PolarHBondContact O-NE1 3.08Å; R74-W77 HydrophobicContact CB-CZ2 4.48Å; R74-W77 HydrophobicContact CG-CH2 4.33Å; R74-W77 HydrophobicContact CG-CZ2 3.81Å; R74-W77 WeakPolarHBondContact O-CB 3.34Å; R74-W77 PolarHBondContact O-N 3.15Å; W77-T79 PolarHBondContact O-N 2.86Å; W77-T79 VanDerWaalsContact O-N 3.16Å; W77-Y80 PolarHBondContact O-N 3.18Å; W77-Y81 VanDerWaalsContact C-CE1 3.42Å; W77-Y81 HydrophobicContact CB-CE1 4Å; W77-Y81 WeakPolarHBondContact CB-OH 3.33Å; W77-Y81 VanDerWaalsContact O-CD1 3.27Å; W77-Y81 WeakPolarHBondContact O-CD1 3.49Å; W77-Y81 WeakPolarHBondContact O-CE1 3.32Å; W77-E105 HydrophobicContact CH2-CB 4.46Å; W77-E105 HydrophobicContact CZ3-CB 3.88Å; W77-E105 HydrophobicContact CZ3-CG 4.37Å; W77-M109 HydrophobicContact CE3-CG 4.29Å; W77-M109 HydrophobicContact CE3-SD 3.53Å; W77-M109 VanDerWaalsContact CE3-SD 3.53Å; W77-M109 HydrophobicContact CZ3-SD 3.73Å
78N95.8Very high94.5Very high73 Ų7345.2 Ų45.239%0.3926%0.255SS..G310 helixtrans-61.7-22.6179.868.7-28.8000114.3S75 S76 Y80 Y81S75-N78 PolarHBondContact O-OD1 3.48Å; S75-N78 VanDerWaalsContact O-OD1 3.14Å; S76-N78 PolarHBondContact O-N 3.39Å; S76-N78 VanDerWaalsContact O-N 3.16Å; N78-Y80 PolarHBondContact O-N 3.36Å; N78-Y80 VanDerWaalsContact O-N 3.15Å; N78-Y81 VanDerWaalsContact CA-CE2 3.41Å; N78-Y81 VanDerWaalsContact CA-CZ 3.49Å; N78-Y81 HydrophobicContact CB-CD2 3.9Å; N78-Y81 HydrophobicContact CB-CE2 3.61Å; N78-Y81 PolarHBondContact O-N 2.84Å
79T96.1Very high94.9Very high97 Ų9745.4 Ų45.460%0.59526%0.256SS*.G310 helixtrans-65.5-17176.167.40000112.6S76 W77S76-T79 WeakPolarHBondContact O-CB 3.36Å; S76-T79 WeakPolarHBondContact O-CG2 3.42Å; S76-T79 PolarHBondContact O-N 2.81Å; S76-T79 PolarHBondContact O-OG1 3.22Å; W77-T79 PolarHBondContact O-N 2.86Å; W77-T79 VanDerWaalsContact O-N 3.16Å
80Y96.9Very high95.2Very high36 Ų3645.2 Ų45.214%0.14126%0.255CS..G310 helixtrans-99.9-8.1-179.4-58.5-86.9000113.9K18 S50 W65 I67 W77 N78 S82 T84K18-Y80 WeakPolarHBondContact CE-O 3.22Å; K18-Y80 PolarHBondContact NZ-O 3.01Å; S50-Y80 WeakPolarHBondContact CB-OH 3.42Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.27Å; S50-Y80 PolarHBondContact OG-OH 2.88Å; W65-Y80 HydrophobicContact CD2-CD1 4.04Å; W65-Y80 HydrophobicContact CD2-CE1 4.42Å; W65-Y80 AromaticContact CE3-CD1 3.46Å; W65-Y80 HydrophobicContact CE3-CD1 3.46Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.46Å; W65-Y80 AromaticContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CE3-CE1 3.42Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CZ3-CD1 4.02Å; W65-Y80 AromaticContact CZ3-CE1 3.73Å; W65-Y80 HydrophobicContact CZ3-CE1 3.73Å; I67-Y80 HydrophobicContact CD1-CD1 4.37Å; I67-Y80 HydrophobicContact CD1-CD2 3.6Å; I67-Y80 HydrophobicContact CD1-CE2 4.32Å; I67-Y80 HydrophobicContact CD1-CG 3.62Å; I67-Y80 HydrophobicContact CG1-CD2 4.07Å; I67-Y80 HydrophobicContact CG1-CE2 4.32Å; I67-Y80 HydrophobicContact CG1-CG 4.19Å; I67-Y80 HydrophobicContact CG2-CD2 4.27Å; I67-Y80 HydrophobicContact CG2-CE2 4.06Å; W77-Y80 PolarHBondContact O-N 3.18Å; N78-Y80 PolarHBondContact O-N 3.36Å; N78-Y80 VanDerWaalsContact O-N 3.15Å; Y80-S82 PolarHBondContact O-N 2.95Å; Y80-T84 PolarHBondContact O-OG1 2.84Å; Y80-T84 VanDerWaalsContact O-OG1 3.08Å
81Y97.6Very high95.5Very high9 Ų942.5 Ų42.54%0.03524%0.242CC..  trans-69.2-36.4-169-66.4-8.1000114.5I20 W77 N78 N83 T84 M109 H112 L115I20-Y81 HydrophobicContact CD1-CD1 3.74Å; I20-Y81 HydrophobicContact CD1-CE1 3.94Å; W77-Y81 VanDerWaalsContact C-CE1 3.42Å; W77-Y81 HydrophobicContact CB-CE1 4Å; W77-Y81 WeakPolarHBondContact CB-OH 3.33Å; W77-Y81 VanDerWaalsContact O-CD1 3.27Å; W77-Y81 WeakPolarHBondContact O-CD1 3.49Å; W77-Y81 WeakPolarHBondContact O-CE1 3.32Å; N78-Y81 VanDerWaalsContact CA-CE2 3.41Å; N78-Y81 VanDerWaalsContact CA-CZ 3.49Å; N78-Y81 HydrophobicContact CB-CD2 3.9Å; N78-Y81 HydrophobicContact CB-CE2 3.61Å; N78-Y81 PolarHBondContact O-N 2.84Å; Y81-N83 PolarHBondContact O-N 2.82Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 2.81Å; Y81-T84 PolarHBondContact O-OG1 3.02Å; Y81-M109 HydrophobicContact CE1-CE 4.22Å; Y81-M109 HydrophobicContact CE1-CG 4.25Å; Y81-M109 HydrophobicContact CE2-CG 4.49Å; Y81-M109 WeakPolarHBondContact OH-CG 3.49Å; Y81-H112 HydrophobicContact CD2-CB 3.82Å; Y81-H112 AromaticContact CD2-CD2 3.83Å; Y81-H112 AromaticContact CD2-CG 3.51Å; Y81-H112 AromaticContact CD2-ND1 3.65Å; Y81-H112 HydrophobicContact CE2-CB 3.94Å; Y81-H112 AromaticContact CE2-CD2 3.98Å; Y81-H112 AromaticContact CE2-CG 3.89Å; Y81-L115 HydrophobicContact CD1-CD1 3.7Å; Y81-L115 HydrophobicContact CD1-CD2 4.15Å; Y81-L115 HydrophobicContact CD1-CG 4.14Å; Y81-L115 HydrophobicContact CD2-CD1 3.73Å; Y81-L115 HydrophobicContact CD2-CG 3.97Å; Y81-L115 HydrophobicContact CE1-CD1 3.91Å; Y81-L115 HydrophobicContact CE2-CD1 3.94Å; Y81-L115 HydrophobicContact CG-CD1 3.64Å; Y81-L115 HydrophobicContact CG-CD2 4Å; Y81-L115 HydrophobicContact CG-CG 3.71Å
82S96Very high95.8Very high55 Ų5535.7 Ų35.739%0.38521%0.21SC..THydrogen-bonded Turntrans-51.2129.6-177.3-171.80000112.2K18 Y80 T84K18-S82 PolarHBondContact NZ-O 2.86Å; Y80-S82 PolarHBondContact O-N 2.95Å; S82-T84 PolarHBondContact O-N 2.82Å
83N93.9Very high96.2Very high133 Ų13331.3 Ų31.371%0.71118%0.18SC*.THydrogen-bonded Turntrans6116.6-177.4-53.9-49.8000115.8K18 Y81 E85K18-N83 WeakPolarHBondContact CB-O 3.36Å; Y81-N83 PolarHBondContact O-N 2.82Å; N83-E85 PolarHBondContact O-N 3.5Å
84T97.3Very high96.6Very high8 Ų832.3 Ų32.35%0.04919%0.188CC..  trans-72.3128.9175.7-61.80000110.6I20 Y80 Y81 S82 F86 I87 L115I20-T84 HydrophobicContact CB-CG2 4.41Å; I20-T84 HydrophobicContact CD1-CG2 4.1Å; I20-T84 HydrophobicContact CG1-CG2 3.88Å; I20-T84 HydrophobicContact CG2-CG2 4Å; Y80-T84 PolarHBondContact O-OG1 2.84Å; Y80-T84 VanDerWaalsContact O-OG1 3.08Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 2.81Å; Y81-T84 PolarHBondContact O-OG1 3.02Å; S82-T84 PolarHBondContact O-N 2.82Å; T84-F86 WeakPolarHBondContact CG2-O 3.14Å; T84-I87 HydrophobicContact CG2-CG1 4.27Å; T84-L115 HydrophobicContact CG2-CD2 3.96Å
85E97.3Very high96.9Very high31 Ų3133 Ų3315%0.14519%0.192CC..  trans-99.5-30.6177.8-58.3-163.9-172.700112.6H17 K18 N83 A118 A119 R179H17-E85 IonicContact CE1-OE2 3.64Å; H17-E85 IonicContact CG-OE2 3.23Å; H17-E85 IonicContact ND1-OE1 3.96Å; H17-E85 IonicContact ND1-OE2 2.77Å; H17-E85 PolarHBondContact ND1-OE2 3.23Å; K18-E85 PolarHBondContact O-N 3.29Å; N83-E85 PolarHBondContact O-N 3.5Å; E85-A118 CarbonylContact O-C 3.54Å; E85-A118 VanDerWaalsContact O-CA 3.23Å; E85-A118 WeakPolarHBondContact O-CA 3.42Å; E85-A119 PolarHBondContact O-N 3.14Å; E85-R179 IonicContact OE1-CZ 3.59Å; E85-R179 IonicContact OE1-NH1 2.77Å; E85-R179 PolarHBondContact OE1-NH1 3.35Å; E85-R179 IonicContact OE1-NH2 3.68Å; E85-R179 IonicContact OE2-CZ 3.2Å; E85-R179 IonicContact OE2-NE 3.99Å; E85-R179 IonicContact OE2-NH1 3.04Å; E85-R179 PolarHBondContact OE2-NH1 2.86Å; E85-R179 IonicContact OE2-NH2 3.27Å; E85-R179 PolarHBondContact OE2-NH2 3.18Å
86F98.3Very high97.2Very high6 Ų634.2 Ų34.23%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-133.3137.9-179.6-62-84.5000111.2H17 K18 V19 I20 F62 T84 A119 M172 R175 A176H17-F86 HydrophobicContact CB-CD2 4.25Å; H17-F86 HydrophobicContact CB-CE2 4.11Å; K18-F86 PolarHBondContact O-N 2.94Å; V19-F86 VanDerWaalsContact CA-O 3.32Å; V19-F86 WeakPolarHBondContact CA-O 3.15Å; V19-F86 HydrophobicContact CB-CB 4.42Å; V19-F86 HydrophobicContact CG1-CB 4.06Å; V19-F86 HydrophobicContact CG2-CB 4.07Å; V19-F86 HydrophobicContact CG2-CD2 4.37Å; I20-F86 PolarHBondContact N-O 2.82Å; F62-F86 HydrophobicContact CE1-CD2 4.16Å; F62-F86 HydrophobicContact CE1-CE2 4.03Å; T84-F86 WeakPolarHBondContact CG2-O 3.14Å; F86-A119 CarbonylContact C-O 3.58Å; F86-A119 WeakPolarHBondContact CA-O 3.49Å; F86-A119 HydrophobicContact CD1-CB 3.77Å; F86-A119 HydrophobicContact CE1-CB 3.86Å; F86-M172 HydrophobicContact CB-CE 3.57Å; F86-M172 HydrophobicContact CD1-CB 4.29Å; F86-M172 HydrophobicContact CD1-CE 4.03Å; F86-M172 HydrophobicContact CD1-CG 4.06Å; F86-M172 HydrophobicContact CD2-CE 4.09Å; F86-M172 HydrophobicContact CE1-CB 4.2Å; F86-M172 HydrophobicContact CE1-CG 4.39Å; F86-M172 HydrophobicContact CG-CE 3.63Å; F86-M172 WeakPolarHBondContact CZ-O 3.35Å; F86-R175 HydrophobicContact CE1-CB 3.79Å; F86-R175 HydrophobicContact CZ-CB 4.04Å; F86-A176 HydrophobicContact CE2-CB 4.32Å; F86-A176 HydrophobicContact CZ-CB 4.12Å
87I98.6Very high97.5Very high1 Ų140.6 Ų40.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-110.3123.5170.9-57164.1000106.4I20 V22 T84 M109 L110 L115 A118 A119 L120 L121I20-I87 HydrophobicContact CD1-CG1 4.12Å; I20-I87 HydrophobicContact CG1-CB 4.37Å; I20-I87 HydrophobicContact CG1-CG1 4.11Å; I20-I87 HydrophobicContact CG1-CG2 4.23Å; V22-I87 HydrophobicContact CG2-CG2 3.88Å; T84-I87 HydrophobicContact CG2-CG1 4.27Å; I87-M109 HydrophobicContact CD1-CE 4.13Å; I87-M109 HydrophobicContact CG1-CE 4.34Å; I87-M109 HydrophobicContact CG2-CE 3.55Å; I87-L110 HydrophobicContact CD1-CD2 4.04Å; I87-L115 HydrophobicContact CD1-CB 4.32Å; I87-L115 HydrophobicContact CD1-CD1 3.84Å; I87-L115 HydrophobicContact CD1-CD2 4.09Å; I87-L115 HydrophobicContact CD1-CG 4.3Å; I87-L115 HydrophobicContact CG1-CD2 4.27Å; I87-A118 HydrophobicContact CD1-CB 3.91Å; I87-A118 HydrophobicContact CG1-CB 4Å; I87-A119 PolarHBondContact N-O 3.29Å; I87-L120 HydrophobicContact CB-CD1 3.94Å; I87-L120 HydrophobicContact CG2-CD1 3.75Å; I87-L121 PolarHBondContact O-N 2.87Å
88I98.8Very high97.6Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-101107.6166-60.2-179.5000107.4V19 I20 I21 V22 V90 L121 F123 M172V19-I88 HydrophobicContact CG1-CD1 3.76Å; V19-I88 HydrophobicContact CG1-CG1 3.75Å; I20-I88 PolarHBondContact O-N 3.08Å; I21-I88 WeakPolarHBondContact CA-O 3.2Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.31Å; I21-I88 HydrophobicContact CG2-CB 4.33Å; I21-I88 HydrophobicContact CG2-CG2 4.2Å; V22-I88 PolarHBondContact N-O 2.95Å; I88-V90 HydrophobicContact CG2-CG2 3.98Å; I88-L121 CarbonylContact C-O 3.49Å; I88-L121 WeakPolarHBondContact CA-O 3.08Å; I88-L121 HydrophobicContact CG1-CB 4.38Å; I88-L121 HydrophobicContact CG1-CD2 4.31Å; I88-F123 HydrophobicContact CG2-CD2 3.57Å; I88-F123 HydrophobicContact CG2-CE2 4Å; I88-M172 HydrophobicContact CD1-CE 4.22Å; I88-M172 HydrophobicContact CD1-SD 3.78Å; I88-M172 HydrophobicContact CG1-CE 4.41Å; I88-M172 HydrophobicContact CG1-SD 3.92Å
89L98.8Very high97.7Very high5 Ų540 Ų403%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-90.9115.6169.2177.966.8000109.3V22 V91 L106 L120 L121 I122 F123 L142V22-L89 HydrophobicContact CG2-CD1 4.2Å; V22-L89 WeakPolarHBondContact O-CA 3.12Å; L89-V91 HydrophobicContact CD2-CG2 4.14Å; L89-V91 HydrophobicContact CG-CG2 4.08Å; L89-L106 HydrophobicContact CD2-CB 4.19Å; L89-L106 HydrophobicContact CD2-CD1 4.13Å; L89-L106 HydrophobicContact CD2-CD2 4.06Å; L89-L106 HydrophobicContact CD2-CG 4.35Å; L89-L120 HydrophobicContact CB-CD1 4.16Å; L89-L121 PolarHBondContact N-O 2.86Å; L89-I122 HydrophobicContact CB-CG1 4.43Å; L89-I122 HydrophobicContact CD2-CG1 4.45Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; L89-I122 CarbonylContact O-C 3.59Å; L89-I122 WeakPolarHBondContact O-CA 3.27Å; L89-F123 PolarHBondContact O-N 2.87Å; L89-L142 HydrophobicContact CD2-CD1 4.39Å
90V98.8Very high97.8Very high0 Ų038.2 Ų38.20%019%0.189CC..EExtended strand (participates in β ladder)trans-96.6121.8175.1-170.50000109.6I21 V22 A27 K29 I32 I88 N125I21-V90 HydrophobicContact CG2-CG2 3.81Å; V22-V90 PolarHBondContact O-N 3.23Å; A27-V90 HydrophobicContact CB-CB 4.32Å; A27-V90 HydrophobicContact CB-CG1 4.07Å; A27-V90 WeakPolarHBondContact CB-O 3.49Å; A27-V90 VanDerWaalsContact O-CG1 3.28Å; A27-V90 WeakPolarHBondContact O-CG1 3.49Å; K29-V90 HydrophobicContact CB-CG2 4.43Å; K29-V90 HydrophobicContact CG-CB 3.83Å; K29-V90 HydrophobicContact CG-CG2 3.82Å; I32-V90 HydrophobicContact CD1-CG1 3.72Å; I32-V90 HydrophobicContact CD1-CG2 3.91Å; I88-V90 HydrophobicContact CG2-CG2 3.98Å; V90-N125 HydrophobicContact CG1-CB 3.88Å
91V98.8Very high97.9Very high2 Ų238.8 Ų38.81%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-111.3128.5179.3178.50000109.1L89 S93 L99 I122 F123 N125 I138 L142L89-V91 HydrophobicContact CD2-CG2 4.14Å; L89-V91 HydrophobicContact CG-CG2 4.08Å; V91-S93 PolarHBondContact O-N 3.29Å; V91-L99 HydrophobicContact CG1-CD1 3.54Å; V91-I122 HydrophobicContact CG2-CG2 3.96Å; V91-F123 PolarHBondContact N-O 3.27Å; V91-N125 WeakPolarHBondContact O-CB 3.27Å; V91-N125 PolarHBondContact O-N 2.77Å; V91-I138 HydrophobicContact CG1-CD1 4.14Å; V91-I138 HydrophobicContact CG1-CG1 4.5Å; V91-I138 HydrophobicContact CG1-CG2 4.21Å; V91-L142 HydrophobicContact CG2-CD1 4.29Å
92D98.5Very high97.9Very high12 Ų1238.7 Ų38.76%0.06420%0.195CC..EExtended strand (participates in β ladder)trans-72.7110.2167.6-172.4-23.5000109.1T94 D95 K126D92-T94 PolarHBondContact O-N 2.75Å; D92-T94 WeakPolarHBondContact OD1-CB 3.47Å; D92-T94 PolarHBondContact OD1-N 2.95Å; D92-T94 PolarHBondContact OD1-OG1 3.23Å; D92-D95 HydrophobicContact CB-CB 3.84Å; D92-D95 PolarHBondContact O-N 3.23Å; D92-K126 WeakPolarHBondContact OD1-CD 3.44Å; D92-K126 IonicContact OD1-NZ 3.11Å; D92-K126 VanDerWaalsContact OD2-CE 3.3Å; D92-K126 WeakPolarHBondContact OD2-CE 3.46Å; D92-K126 IonicContact OD2-NZ 3.35Å; D92-K126 PolarHBondContact OD2-NZ 3.41Å
93S98.8Very high98Very high0 Ų038.9 Ų38.90%019%0.189CC..THydrogen-bonded Turntrans-69.6-13.8-177.2-53.70000113.2V91 A124 N125 Q127 C132 M133V91-S93 PolarHBondContact O-N 3.29Å; S93-A124 VanDerWaalsContact OG-C 3.26Å; S93-N125 WeakPolarHBondContact CB-O 3.36Å; S93-N125 PolarHBondContact N-O 3.12Å; S93-N125 PolarHBondContact OG-N 3.46Å; S93-N125 PolarHBondContact OG-O 2.92Å; S93-Q127 PolarHBondContact OG-NE2 3.01Å; S93-C132 CarbonylContact O-C 3.55Å; S93-C132 WeakPolarHBondContact O-CA 2.84Å; S93-M133 WeakPolarHBondContact CB-O 3.34Å; S93-M133 WeakPolarHBondContact O-CB 3.43Å; S93-M133 VanDerWaalsContact O-CE 3.25Å; S93-M133 WeakPolarHBondContact O-CE 3.42Å; S93-M133 PolarHBondContact O-N 2.99Å
94T98.3Very high98.2Very high57 Ų5738.4 Ų38.435%0.3518%0.183SC..THydrogen-bonded Turntrans-86.6-18176.569.10000112.5D92 R96 K126 M129 C132D92-T94 PolarHBondContact O-N 2.75Å; D92-T94 WeakPolarHBondContact OD1-CB 3.47Å; D92-T94 PolarHBondContact OD1-N 2.95Å; D92-T94 PolarHBondContact OD1-OG1 3.23Å; T94-R96 PolarHBondContact O-N 3.4Å; T94-K126 HydrophobicContact CG2-CB 4.38Å; T94-M129 HydrophobicContact CG2-CB 3.42Å; T94-M129 VanDerWaalsContact CG2-CB 3.42Å; T94-M129 HydrophobicContact CG2-CG 3.79Å; T94-C132 HydrophobicContact CG2-CB 4.13Å
95D97.8Very high98.2Very high32 Ų3239.4 Ų39.417%0.17119%0.187CC..  trans-96.872.2-170-160.3-29000112.1D92 E97 R98 L99D92-D95 HydrophobicContact CB-CB 3.84Å; D92-D95 PolarHBondContact O-N 3.23Å; D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 3.49Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.32Å; D95-R98 PolarHBondContact OD1-N 2.87Å; D95-R98 IonicContact OD1-NE 2.82Å; D95-R98 IonicContact OD2-CZ 2.67Å; D95-R98 IonicContact OD2-NE 3.83Å; D95-R98 PolarHBondContact OD2-NE 2.89Å; D95-R98 IonicContact OD2-NH2 3.95Å; D95-R98 PolarHBondContact OD2-NH2 3.26Å; D95-L99 PolarHBondContact O-N 3.14Å
96R97.9Very high98.3Very high116 Ų11638 Ų3844%0.43818%0.181SC..SBendtrans-62.6-34.6-179.3-62-170.7178.4-105-1.2112.2T94 D131 M133 E137T94-R96 PolarHBondContact O-N 3.4Å; R96-D131 PolarHBondContact NH2-O 2.89Å; R96-D131 VanDerWaalsContact NH2-O 3.15Å; R96-M133 HydrophobicContact CB-CE 4.38Å; R96-M133 HydrophobicContact CB-SD 4.39Å; R96-M133 HydrophobicContact CG-CE 3.82Å; R96-M133 HydrophobicContact CG-CG 3.86Å; R96-M133 HydrophobicContact CG-SD 3.71Å; R96-M133 VanDerWaalsContact NH1-CG 3.31Å; R96-E137 IonicContact CZ-OE1 3.76Å; R96-E137 IonicContact NH1-OE1 2.69Å; R96-E137 PolarHBondContact NH1-OE1 3.1Å; R96-E137 IonicContact NH2-OE1 3.08Å; R96-E137 PolarHBondContact NH2-OE1 3.27Å
97E97.4Very high98.3Very high176 Ų17641.2 Ų41.282%0.82219%0.193SC*.THydrogen-bonded Turntrans-68.6-41.7-175.6-64.2-174.9173.500111.9D95 L99D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 3.49Å; E97-L99 VanDerWaalsContact C-N 3.34Å
98R97.8Very high98.2Very high64 Ų6446.7 Ų46.724%0.24222%0.217CC..THydrogen-bonded Turntrans-89.54-178.9-59.2-167.9-67.2161.75113.9L24 D25 D95 V100 I101 S102L24-R98 HydrophobicContact CD1-CB 3.58Å; L24-R98 WeakPolarHBondContact CD1-O 3.31Å; D25-R98 PolarHBondContact O-NH2 2.85Å; D25-R98 IonicContact OD1-NH1 3.99Å; D25-R98 PolarHBondContact OD1-NH1 2.86Å; D25-R98 IonicContact OD2-CZ 3.33Å; D25-R98 IonicContact OD2-NH1 3.79Å; D25-R98 PolarHBondContact OD2-NH1 3.13Å; D25-R98 IonicContact OD2-NH2 3.43Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.32Å; D95-R98 PolarHBondContact OD1-N 2.87Å; D95-R98 IonicContact OD1-NE 2.82Å; D95-R98 IonicContact OD2-CZ 2.67Å; D95-R98 IonicContact OD2-NE 3.83Å; D95-R98 PolarHBondContact OD2-NE 2.89Å; D95-R98 IonicContact OD2-NH2 3.95Å; D95-R98 PolarHBondContact OD2-NH2 3.26Å; R98-V100 PolarHBondContact O-N 3.39Å; R98-I101 HydrophobicContact CB-CD1 4.14Å; R98-I101 HydrophobicContact CG-CD1 4.15Å; R98-I101 WeakPolarHBondContact O-CB 3.3Å; R98-I101 PolarHBondContact O-N 3.2Å; R98-S102 PolarHBondContact O-N 2.93Å
99L97.8Very high98.2Very high1 Ų146.8 Ų46.81%0.00522%0.217CC..Hα-helixtrans-63.2-28.8177-166.262.9000112.6V91 D95 E97 I101 S102 K103 M133 I138 Y141 L142V91-L99 HydrophobicContact CG1-CD1 3.54Å; D95-L99 PolarHBondContact O-N 3.14Å; E97-L99 VanDerWaalsContact C-N 3.34Å; L99-I101 VanDerWaalsContact C-N 3.32Å; L99-I101 PolarHBondContact O-N 3.13Å; L99-S102 PolarHBondContact O-N 3.17Å; L99-K103 PolarHBondContact O-N 3.15Å; L99-M133 HydrophobicContact CD2-CE 4.05Å; L99-M133 HydrophobicContact CD2-SD 3.59Å; L99-M133 VanDerWaalsContact CD2-SD 3.59Å; L99-I138 HydrophobicContact CD1-CG2 4.47Å; L99-Y141 HydrophobicContact CB-CD1 4.14Å; L99-Y141 HydrophobicContact CB-CE1 3.9Å; L99-Y141 HydrophobicContact CD2-CD1 3.37Å; L99-Y141 HydrophobicContact CD2-CD2 4.04Å; L99-Y141 HydrophobicContact CD2-CE1 3.98Å; L99-Y141 HydrophobicContact CD2-CG 3.41Å; L99-Y141 VanDerWaalsContact CD2-CG 3.41Å; L99-Y141 HydrophobicContact CG-CD1 3.46Å; L99-Y141 VanDerWaalsContact CG-CD1 3.46Å; L99-Y141 HydrophobicContact CG-CE1 3.73Å; L99-Y141 HydrophobicContact CG-CG 4.06Å; L99-L142 HydrophobicContact CD1-CD2 3.91Å; L99-L142 HydrophobicContact CD1-CG 4.35Å; L99-L142 HydrophobicContact CG-CD2 4.14Å
100V98.3Very high98.1Very high58 Ų5847.2 Ų47.235%0.35222%0.219SC..Hα-helixtrans-59.8-41.8172.1660000112R98 K103 E104R98-V100 PolarHBondContact O-N 3.39Å; V100-K103 WeakPolarHBondContact O-CB 3.48Å; V100-K103 PolarHBondContact O-N 2.89Å; V100-E104 WeakPolarHBondContact O-CG 3.42Å; V100-E104 PolarHBondContact O-N 3.26Å
101I98.2Very high98Very high48 Ų4851.3 Ų51.325%0.24625%0.253CS..Hα-helixtrans-67.5-42179.5-52.2176.4000109.7L24 R98 L99 K103 E104 E105L24-I101 HydrophobicContact CD1-CB 4.21Å; L24-I101 HydrophobicContact CD1-CG2 4.46Å; L24-I101 HydrophobicContact CD2-CB 4.35Å; L24-I101 HydrophobicContact CD2-CG2 3.79Å; R98-I101 HydrophobicContact CB-CD1 4.14Å; R98-I101 HydrophobicContact CG-CD1 4.15Å; R98-I101 WeakPolarHBondContact O-CB 3.3Å; R98-I101 PolarHBondContact O-N 3.2Å; L99-I101 VanDerWaalsContact C-N 3.32Å; L99-I101 PolarHBondContact O-N 3.13Å; I101-K103 VanDerWaalsContact C-N 3.26Å; I101-K103 PolarHBondContact O-N 3.13Å; I101-E104 PolarHBondContact O-N 3.13Å; I101-E105 PolarHBondContact O-N 2.83Å
102S98.1Very high98Very high7 Ų753.9 Ų53.95%0.04927%0.265CS..Hα-helixtrans-60.8-37.1175.7-63.60000111.8L24 R98 L99 L106L24-S102 WeakPolarHBondContact CD1-OG 3.38Å; L24-S102 WeakPolarHBondContact CG-OG 3.28Å; R98-S102 PolarHBondContact O-N 2.93Å; L99-S102 PolarHBondContact O-N 3.17Å; S102-L106 WeakPolarHBondContact O-CB 3.49Å; S102-L106 PolarHBondContact O-N 2.78Å
103K98.6Very high97.9Very high59 Ų5961 Ų6126%0.25730%0.298SS..Hα-helixtrans-64.5-51.6174.1-172.5177.5-176.6159.40111.3L99 V100 I101 E105 L106 Y107 Y141 L142 T143L99-K103 PolarHBondContact O-N 3.15Å; V100-K103 WeakPolarHBondContact O-CB 3.48Å; V100-K103 PolarHBondContact O-N 2.89Å; I101-K103 VanDerWaalsContact C-N 3.26Å; I101-K103 PolarHBondContact O-N 3.13Å; K103-E105 PolarHBondContact O-N 2.98Å; K103-L106 WeakPolarHBondContact O-CB 3.22Å; K103-L106 PolarHBondContact O-N 2.95Å; K103-Y107 HydrophobicContact CG-CD2 3.85Å; K103-Y107 HydrophobicContact CG-CE2 3.8Å; K103-Y107 VanDerWaalsContact O-CD2 3.28Å; K103-Y107 WeakPolarHBondContact O-CD2 3.28Å; K103-Y107 PolarHBondContact O-N 3.47Å; K103-Y141 PolarHBondContact NZ-O 3.24Å; K103-L142 HydrophobicContact CB-CD2 3.74Å; K103-L142 HydrophobicContact CG-CD2 4.34Å; K103-T143 VanDerWaalsContact CE-OG1 3.31Å; K103-T143 WeakPolarHBondContact CE-OG1 3.44Å; K103-T143 PolarHBondContact NZ-OG1 2.89Å; K103-T143 VanDerWaalsContact NZ-OG1 3.15Å
104E98.2Very high97.8Very high123 Ų12364.3 Ų64.358%0.57532%0.316SS*.Hα-helixtrans-57.6-48.2-179-72.4173.718000111.8V100 I101 L106 Y107 K108V100-E104 WeakPolarHBondContact O-CG 3.42Å; V100-E104 PolarHBondContact O-N 3.26Å; I101-E104 PolarHBondContact O-N 3.13Å; E104-L106 PolarHBondContact O-N 3.43Å; E104-Y107 PolarHBondContact O-N 2.96Å; E104-K108 VanDerWaalsContact O-CB 3.29Å; E104-K108 WeakPolarHBondContact O-CB 3.41Å; E104-K108 PolarHBondContact O-N 3.42Å
105E98.1Very high97.8Very high29 Ų2961.6 Ų61.614%0.13630%0.299CS..Hα-helixtrans-66.8-36.7178.3-66.4-63166.600112.3W77 I101 K103 K108 M109W77-E105 HydrophobicContact CH2-CB 4.46Å; W77-E105 HydrophobicContact CZ3-CB 3.88Å; W77-E105 HydrophobicContact CZ3-CG 4.37Å; I101-E105 PolarHBondContact O-N 2.83Å; K103-E105 PolarHBondContact O-N 2.98Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K108 IonicContact OE1-NZ 3.68Å; E105-K108 IonicContact OE2-NZ 3.68Å; E105-K108 PolarHBondContact OE2-NZ 3.27Å; E105-M109 WeakPolarHBondContact O-CB 3.34Å; E105-M109 VanDerWaalsContact O-CG 3.3Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.5Å
106L98.4Very high97.6Very high3 Ų369.3 Ų69.32%0.01633%0.326CS..Hα-helixtrans-58.4-52174.3171.661.1000111.6L89 S102 K103 E104 K108 M109 L110 L120 L142 L144 I147L89-L106 HydrophobicContact CD2-CB 4.19Å; L89-L106 HydrophobicContact CD2-CD1 4.13Å; L89-L106 HydrophobicContact CD2-CD2 4.06Å; L89-L106 HydrophobicContact CD2-CG 4.35Å; S102-L106 WeakPolarHBondContact O-CB 3.49Å; S102-L106 PolarHBondContact O-N 2.78Å; K103-L106 WeakPolarHBondContact O-CB 3.22Å; K103-L106 PolarHBondContact O-N 2.95Å; E104-L106 PolarHBondContact O-N 3.43Å; L106-K108 PolarHBondContact O-N 2.89Å; L106-M109 WeakPolarHBondContact O-CB 3.4Å; L106-M109 PolarHBondContact O-N 3.05Å; L106-L110 HydrophobicContact CD1-CD1 3.84Å; L106-L110 HydrophobicContact CD1-CD2 4.43Å; L106-L110 HydrophobicContact CD1-CG 3.94Å; L106-L110 HydrophobicContact CG-CD1 4.21Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.01Å; L106-L120 HydrophobicContact CD1-CD1 3.95Å; L106-L120 HydrophobicContact CD1-CD2 3.65Å; L106-L120 HydrophobicContact CD1-CG 4.47Å; L106-L120 HydrophobicContact CD2-CD2 4.45Å; L106-L142 HydrophobicContact CD2-CD1 4.5Å; L106-L144 HydrophobicContact CD2-CD2 3.85Å; L106-I147 HydrophobicContact CD2-CD1 4.36Å
107Y98.2Very high97.4Very high73 Ų7372.7 Ų72.729%0.28634%0.344SS..Hα-helixtrans-70.3-33.9-177.9-78.3-83000112.4K103 E104 M109 L110 A111 L142 T143 S146 I147K103-Y107 HydrophobicContact CG-CD2 3.85Å; K103-Y107 HydrophobicContact CG-CE2 3.8Å; K103-Y107 VanDerWaalsContact O-CD2 3.28Å; K103-Y107 WeakPolarHBondContact O-CD2 3.28Å; K103-Y107 PolarHBondContact O-N 3.47Å; E104-Y107 PolarHBondContact O-N 2.96Å; Y107-M109 VanDerWaalsContact C-N 3.32Å; Y107-L110 PolarHBondContact O-N 3.25Å; Y107-A111 WeakPolarHBondContact O-CB 3.18Å; Y107-A111 PolarHBondContact O-N 3.07Å; Y107-L142 VanDerWaalsContact CE2-O 3.3Å; Y107-L142 WeakPolarHBondContact CE2-O 3.39Å; Y107-L142 PolarHBondContact OH-O 3.03Å; Y107-T143 PolarHBondContact OH-O 2.99Å; Y107-T143 VanDerWaalsContact OH-O 3.09Å; Y107-T143 PolarHBondContact OH-OG1 3.46Å; Y107-S146 PolarHBondContact OH-OG 2.86Å; Y107-S146 VanDerWaalsContact OH-OG 3.12Å; Y107-I147 HydrophobicContact CE1-CG1 4.22Å
108K97.3Very high97.4Very high116 Ų11664.3 Ų64.350%0.50430%0.304SS..Hα-helixtrans-61.5-41.3171.8179.5-178.5165-158.80111.8E104 E105 L106E104-K108 VanDerWaalsContact O-CB 3.29Å; E104-K108 WeakPolarHBondContact O-CB 3.41Å; E104-K108 PolarHBondContact O-N 3.42Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K108 IonicContact OE1-NZ 3.68Å; E105-K108 IonicContact OE2-NZ 3.68Å; E105-K108 PolarHBondContact OE2-NZ 3.27Å; L106-K108 PolarHBondContact O-N 2.89Å
109M97.5Very high97.4Very high2 Ų261.7 Ų61.71%0.0130%0.296CS..Hα-helixtrans-63.1-53.1174.2-83.7-177.153.700112.3I20 V22 W77 Y81 I87 E105 L106 Y107 A111 H112 L115I20-M109 HydrophobicContact CD1-CE 3.83Å; V22-M109 HydrophobicContact CB-SD 4.29Å; V22-M109 HydrophobicContact CG1-CE 4.35Å; V22-M109 HydrophobicContact CG1-SD 4.33Å; V22-M109 HydrophobicContact CG2-CE 3.75Å; V22-M109 HydrophobicContact CG2-SD 3.81Å; W77-M109 HydrophobicContact CE3-CG 4.29Å; W77-M109 HydrophobicContact CE3-SD 3.53Å; W77-M109 VanDerWaalsContact CE3-SD 3.53Å; W77-M109 HydrophobicContact CZ3-SD 3.73Å; Y81-M109 HydrophobicContact CE1-CE 4.22Å; Y81-M109 HydrophobicContact CE1-CG 4.25Å; Y81-M109 HydrophobicContact CE2-CG 4.49Å; Y81-M109 WeakPolarHBondContact OH-CG 3.49Å; I87-M109 HydrophobicContact CD1-CE 4.13Å; I87-M109 HydrophobicContact CG1-CE 4.34Å; I87-M109 HydrophobicContact CG2-CE 3.55Å; E105-M109 WeakPolarHBondContact O-CB 3.34Å; E105-M109 VanDerWaalsContact O-CG 3.3Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.5Å; L106-M109 WeakPolarHBondContact O-CB 3.4Å; L106-M109 PolarHBondContact O-N 3.05Å; Y107-M109 VanDerWaalsContact C-N 3.32Å; M109-A111 PolarHBondContact O-N 3.21Å; M109-H112 VanDerWaalsContact O-CB 3.28Å; M109-H112 WeakPolarHBondContact O-CB 3.08Å; M109-H112 PolarHBondContact O-N 2.78Å; M109-L115 HydrophobicContact CB-CD1 4.12Å; M109-L115 HydrophobicContact CE-CD1 3.98Å; M109-L115 WeakPolarHBondContact O-CD1 3.46Å
110L97.6Very high97.5Very high13 Ų1361.6 Ų61.67%0.06830%0.296CS..Hα-helixtrans-64-25-176.7-64.3-178.5000112.8I87 L106 Y107 H112 L120 I147I87-L110 HydrophobicContact CD1-CD2 4.04Å; L106-L110 HydrophobicContact CD1-CD1 3.84Å; L106-L110 HydrophobicContact CD1-CD2 4.43Å; L106-L110 HydrophobicContact CD1-CG 3.94Å; L106-L110 HydrophobicContact CG-CD1 4.21Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.01Å; Y107-L110 PolarHBondContact O-N 3.25Å; L110-H112 PolarHBondContact O-N 2.97Å; L110-L120 HydrophobicContact CD1-CD2 4.3Å; L110-I147 HydrophobicContact CD1-CD1 3.68Å; L110-I147 HydrophobicContact CD1-CG1 4.03Å; L110-I147 HydrophobicContact CD1-CG2 4.09Å
111A97.2Very high97.5Very high87 Ų8758.9 Ų58.972%0.71928%0.279SS*.THydrogen-bonded Turntrans-72.1-13.6173.800000114.1Y107 M109Y107-A111 WeakPolarHBondContact O-CB 3.18Å; Y107-A111 PolarHBondContact O-N 3.07Å; M109-A111 PolarHBondContact O-N 3.21Å
112H98Very high97.5Very high56 Ų5656.6 Ų56.626%0.25927%0.268SS..SBendtrans-77.6133.6-177.7-162.3-78.3000111.8Y81 M109 L110 D114 L115Y81-H112 HydrophobicContact CD2-CB 3.82Å; Y81-H112 AromaticContact CD2-CD2 3.83Å; Y81-H112 AromaticContact CD2-CG 3.51Å; Y81-H112 AromaticContact CD2-ND1 3.65Å; Y81-H112 HydrophobicContact CE2-CB 3.94Å; Y81-H112 AromaticContact CE2-CD2 3.98Å; Y81-H112 AromaticContact CE2-CG 3.89Å; M109-H112 VanDerWaalsContact O-CB 3.28Å; M109-H112 WeakPolarHBondContact O-CB 3.08Å; M109-H112 PolarHBondContact O-N 2.78Å; L110-H112 PolarHBondContact O-N 2.97Å; H112-D114 VanDerWaalsContact C-N 3.32Å; H112-D114 IonicContact CE1-OD2 2.65Å; H112-D114 PolarHBondContact CE1-OD2 2.88Å; H112-D114 PolarHBondContact ND1-N 3.17Å; H112-D114 IonicContact ND1-OD2 3.69Å; H112-D114 PolarHBondContact O-N 2.78Å; H112-L115 PolarHBondContact O-N 3.33Å
113E96.6Very high97.6Very high162 Ų16256.3 Ų56.376%0.75727%0.265SS*.G310 helixtrans-59.3-39.2-172.662.4-176.9174.800113.8L115 R116E113-L115 PolarHBondContact O-N 3.2Å; E113-R116 WeakPolarHBondContact O-CB 3.48Å; E113-R116 PolarHBondContact O-N 2.64Å
114D97.2Very high97.6Very high69 Ų6953.5 Ų53.537%0.36925%0.253SS..G310 helixtrans-60.9-23.8177.4-73.7-29000114H112H112-D114 VanDerWaalsContact C-N 3.32Å; H112-D114 IonicContact CE1-OD2 2.65Å; H112-D114 PolarHBondContact CE1-OD2 2.88Å; H112-D114 PolarHBondContact ND1-N 3.17Å; H112-D114 IonicContact ND1-OD2 3.69Å; H112-D114 PolarHBondContact O-N 2.78Å
115L97.8Very high97.6Very high0 Ų047.8 Ų47.80%023%0.227CC..G310 helixtrans-96.6-5-177.6-67.6-178.8000113.3I20 Y81 T84 I87 M109 H112 E113 K117 A118 H150I20-L115 HydrophobicContact CD1-CD2 4.33Å; Y81-L115 HydrophobicContact CD1-CD1 3.7Å; Y81-L115 HydrophobicContact CD1-CD2 4.15Å; Y81-L115 HydrophobicContact CD1-CG 4.14Å; Y81-L115 HydrophobicContact CD2-CD1 3.73Å; Y81-L115 HydrophobicContact CD2-CG 3.97Å; Y81-L115 HydrophobicContact CE1-CD1 3.91Å; Y81-L115 HydrophobicContact CE2-CD1 3.94Å; Y81-L115 HydrophobicContact CG-CD1 3.64Å; Y81-L115 HydrophobicContact CG-CD2 4Å; Y81-L115 HydrophobicContact CG-CG 3.71Å; T84-L115 HydrophobicContact CG2-CD2 3.96Å; I87-L115 HydrophobicContact CD1-CB 4.32Å; I87-L115 HydrophobicContact CD1-CD1 3.84Å; I87-L115 HydrophobicContact CD1-CD2 4.09Å; I87-L115 HydrophobicContact CD1-CG 4.3Å; I87-L115 HydrophobicContact CG1-CD2 4.27Å; M109-L115 HydrophobicContact CB-CD1 4.12Å; M109-L115 HydrophobicContact CE-CD1 3.98Å; M109-L115 WeakPolarHBondContact O-CD1 3.46Å; H112-L115 PolarHBondContact O-N 3.33Å; E113-L115 PolarHBondContact O-N 3.2Å; L115-K117 PolarHBondContact O-N 2.94Å; L115-A118 HydrophobicContact CD2-CB 4.31Å; L115-A118 VanDerWaalsContact O-CB 3.27Å; L115-A118 WeakPolarHBondContact O-CB 3.28Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-H150 PolarHBondContact O-CE1 3.15Å
116R94.6Very high97.6Very high193 Ų19348.2 Ų48.273%0.72823%0.228SC*.THydrogen-bonded Turntrans-52.3-24.3-171.8-173.5175.6177.2-173.71.1115.5E113E113-R116 WeakPolarHBondContact O-CB 3.48Å; E113-R116 PolarHBondContact O-N 2.64Å
117K92.7Very high97.6Very high188 Ų18850.7 Ų50.782%0.81724%0.24SC*.THydrogen-bonded Turntrans-104.5-3.5179.1-62.9-177.1-177.9176.80114L115L115-K117 PolarHBondContact O-N 2.94Å
118A97.4Very high97.6Very high0 Ų051.3 Ų51.30%025%0.248CC..  trans-74.1140.9-175.800000111.1E85 I87 L115 H150E85-A118 CarbonylContact O-C 3.54Å; E85-A118 VanDerWaalsContact O-CA 3.23Å; E85-A118 WeakPolarHBondContact O-CA 3.42Å; I87-A118 HydrophobicContact CD1-CB 3.91Å; I87-A118 HydrophobicContact CG1-CB 4Å; L115-A118 HydrophobicContact CD2-CB 4.31Å; L115-A118 VanDerWaalsContact O-CB 3.27Å; L115-A118 WeakPolarHBondContact O-CB 3.28Å; L115-A118 PolarHBondContact O-N 3.4Å; A118-H150 PolarHBondContact O-ND1 2.87Å
119A98.3Very high97.6Very high8 Ų850.4 Ų50.47%0.06625%0.247CC..EExtended strand (participates in β ladder)trans-87.7144.3170.300000110.5E85 F86 I87 P151 W171E85-A119 PolarHBondContact O-N 3.14Å; F86-A119 CarbonylContact C-O 3.58Å; F86-A119 WeakPolarHBondContact CA-O 3.49Å; F86-A119 HydrophobicContact CD1-CB 3.77Å; F86-A119 HydrophobicContact CE1-CB 3.86Å; I87-A119 PolarHBondContact N-O 3.29Å; A119-P151 WeakPolarHBondContact CA-O 3.46Å; A119-P151 HydrophobicContact CB-CB 4.31Å; A119-W171 HydrophobicContact CB-CH2 3.95Å; A119-W171 HydrophobicContact CB-CZ3 4.42Å
120L98.7Very high97.5Very high0 Ų059.5 Ų59.50%029%0.286CS..EExtended strand (participates in β ladder)trans-109.7112.1-174.1176.369000111.5I87 L89 L106 L110 I122 I147 P151 W152 H153 W171I87-L120 HydrophobicContact CB-CD1 3.94Å; I87-L120 HydrophobicContact CG2-CD1 3.75Å; L89-L120 HydrophobicContact CB-CD1 4.16Å; L106-L120 HydrophobicContact CD1-CD1 3.95Å; L106-L120 HydrophobicContact CD1-CD2 3.65Å; L106-L120 HydrophobicContact CD1-CG 4.47Å; L106-L120 HydrophobicContact CD2-CD2 4.45Å; L110-L120 HydrophobicContact CD1-CD2 4.3Å; L120-I122 HydrophobicContact CD1-CG1 4.47Å; L120-I122 HydrophobicContact CD2-CD1 3.72Å; L120-I122 HydrophobicContact CD2-CG1 4.21Å; L120-I122 HydrophobicContact CG-CD1 3.65Å; L120-I122 HydrophobicContact CG-CG1 4.1Å; L120-I147 HydrophobicContact CD2-CD1 4.05Å; L120-P151 PolarHBondContact N-O 3.16Å; L120-W152 HydrophobicContact CB-CB 3.99Å; L120-W152 HydrophobicContact CD2-CB 4.29Å; L120-W152 HydrophobicContact CG-CB 4.41Å; L120-W152 CarbonylContact O-C 3.59Å; L120-W152 WeakPolarHBondContact O-CA 3.41Å; L120-W152 WeakPolarHBondContact O-CB 3.26Å; L120-H153 PolarHBondContact O-N 2.7Å; L120-W171 WeakPolarHBondContact O-CH2 3.44Å
121L98.8Very high97.3Very high1 Ų165.9 Ų65.91%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-96.5127.9165.717862000109.2I87 I88 L89 F123 H153 Q155 W171 M172I87-L121 PolarHBondContact O-N 2.87Å; I88-L121 CarbonylContact C-O 3.49Å; I88-L121 WeakPolarHBondContact CA-O 3.08Å; I88-L121 HydrophobicContact CG1-CB 4.38Å; I88-L121 HydrophobicContact CG1-CD2 4.31Å; L89-L121 PolarHBondContact N-O 2.86Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.35Å; L121-F123 HydrophobicContact CD2-CE2 3.65Å; L121-F123 HydrophobicContact CD2-CZ 3.7Å; L121-F123 HydrophobicContact CG-CE2 4.39Å; L121-H153 HydrophobicContact CD1-CB 4.22Å; L121-Q155 HydrophobicContact CD1-CB 4.41Å; L121-W171 HydrophobicContact CB-CE3 4.18Å; L121-W171 HydrophobicContact CB-CZ3 3.88Å; L121-W171 HydrophobicContact CD1-CE3 4.15Å; L121-M172 HydrophobicContact CB-CG 4.39Å; L121-M172 HydrophobicContact CB-SD 4.33Å; L121-M172 HydrophobicContact CD2-CG 3.97Å; L121-M172 HydrophobicContact CD2-SD 3.57Å; L121-M172 VanDerWaalsContact CD2-SD 3.57Å
122I98.9Very high97.3Very high0 Ų063 Ų630%029%0.294CS..EExtended strand (participates in β ladder)trans-107.4120172.4-5388.2000108.4L89 V91 L120 L144 W152 H153 I154 Q155L89-I122 HydrophobicContact CB-CG1 4.43Å; L89-I122 HydrophobicContact CD2-CG1 4.45Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; L89-I122 CarbonylContact O-C 3.59Å; L89-I122 WeakPolarHBondContact O-CA 3.27Å; V91-I122 HydrophobicContact CG2-CG2 3.96Å; L120-I122 HydrophobicContact CD1-CG1 4.47Å; L120-I122 HydrophobicContact CD2-CD1 3.72Å; L120-I122 HydrophobicContact CD2-CG1 4.21Å; L120-I122 HydrophobicContact CG-CD1 3.65Å; L120-I122 HydrophobicContact CG-CG1 4.1Å; I122-L144 HydrophobicContact CD1-CD1 3.78Å; I122-L144 HydrophobicContact CD1-CD2 4.27Å; I122-L144 HydrophobicContact CG1-CD1 4.19Å; I122-L144 HydrophobicContact CG1-CD2 4.48Å; I122-W152 HydrophobicContact CD1-CB 4.38Å; I122-W152 HydrophobicContact CD1-CE3 4.44Å; I122-H153 VanDerWaalsContact CD1-O 3.22Å; I122-H153 WeakPolarHBondContact CD1-O 3.2Å; I122-H153 PolarHBondContact N-O 3.05Å; I122-I154 HydrophobicContact CB-CB 4.18Å; I122-I154 HydrophobicContact CB-CD1 4.32Å; I122-I154 HydrophobicContact CB-CG1 3.97Å; I122-I154 HydrophobicContact CG2-CD1 4.03Å; I122-I154 HydrophobicContact CG2-CG1 4.09Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.42Å; I122-Q155 PolarHBondContact O-N 2.83Å
123F98.9Very high97.4Very high0 Ų060.6 Ų60.60%028%0.283CS..EExtended strand (participates in β ladder)trans-92.4111.6166.7-82.8-53.7000109.7I32 F36 I88 L89 V91 L121 N125 Q155 C157 L165I32-F123 HydrophobicContact CD1-CB 4.17Å; I32-F123 HydrophobicContact CD1-CD2 4Å; I32-F123 HydrophobicContact CD1-CG 4.22Å; I32-F123 HydrophobicContact CG2-CD2 4.46Å; I32-F123 HydrophobicContact CG2-CE2 4.29Å; F36-F123 HydrophobicContact CZ-CE2 4.02Å; F36-F123 HydrophobicContact CZ-CZ 4.12Å; I88-F123 HydrophobicContact CG2-CD2 3.57Å; I88-F123 HydrophobicContact CG2-CE2 4Å; L89-F123 PolarHBondContact O-N 2.87Å; V91-F123 PolarHBondContact N-O 3.27Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.35Å; L121-F123 HydrophobicContact CD2-CE2 3.65Å; L121-F123 HydrophobicContact CD2-CZ 3.7Å; L121-F123 HydrophobicContact CG-CE2 4.39Å; F123-N125 VanDerWaalsContact C-N 3.32Å; F123-N125 PolarHBondContact O-N 3.22Å; F123-N125 VanDerWaalsContact O-N 3.14Å; F123-Q155 WeakPolarHBondContact CA-O 3.21Å; F123-Q155 HydrophobicContact CD1-CB 3.97Å; F123-Q155 HydrophobicContact CD1-CG 4.18Å; F123-Q155 HydrophobicContact CE1-CB 4.01Å; F123-Q155 HydrophobicContact CE1-CG 3.9Å; F123-C157 HydrophobicContact CD1-CB 3.86Å; F123-C157 WeakPolarHBondContact CD1-SG 3.2Å; F123-C157 HydrophobicContact CE1-CB 4.28Å; F123-L165 HydrophobicContact CD1-CD2 4.09Å; F123-L165 HydrophobicContact CD2-CD2 4.5Å; F123-L165 HydrophobicContact CE1-CD2 3.79Å; F123-L165 HydrophobicContact CE2-CD2 4.23Å; F123-L165 HydrophobicContact CG-CD2 4.45Å; F123-L165 HydrophobicContact CZ-CD2 3.86Å
124A98.8Very high97.5Very high0 Ų055 Ų550%026%0.262CS..EExtended strand (participates in β ladder)trans-78.986.816500000107.5S93 Q127 A135 I138 I154 Q155 C157S93-A124 VanDerWaalsContact OG-C 3.26Å; A124-Q127 WeakPolarHBondContact O-CG 3.48Å; A124-A135 HydrophobicContact CB-CB 4.21Å; A124-I138 HydrophobicContact CB-CD1 3.54Å; A124-I154 HydrophobicContact CB-CD1 4.48Å; A124-I154 HydrophobicContact CB-CG1 4.45Å; A124-Q155 PolarHBondContact N-O 3.37Å; A124-C157 PolarHBondContact O-N 3.33Å
125N98.8Very high97.5Very high3 Ų352.4 Ų52.42%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-88.3163.5-170-169.931.7000112.3A27 V90 V91 S93 F123 C157 A159A27-N125 PolarHBondContact O-ND2 2.79Å; V90-N125 HydrophobicContact CG1-CB 3.88Å; V91-N125 WeakPolarHBondContact O-CB 3.27Å; V91-N125 PolarHBondContact O-N 2.77Å; S93-N125 WeakPolarHBondContact CB-O 3.36Å; S93-N125 PolarHBondContact N-O 3.12Å; S93-N125 PolarHBondContact OG-N 3.46Å; S93-N125 PolarHBondContact OG-O 2.92Å; F123-N125 VanDerWaalsContact C-N 3.32Å; F123-N125 PolarHBondContact O-N 3.22Å; F123-N125 VanDerWaalsContact O-N 3.14Å; N125-C157 CarbonylContact C-O 3.54Å; N125-C157 WeakPolarHBondContact CA-O 3.35Å; N125-C157 VanDerWaalsContact CA-SG 3.59Å; N125-A159 WeakPolarHBondContact OD1-CB 3.46Å; N125-A159 PolarHBondContact OD1-N 2.82Å
126K98.4Very high97.6Very high39 Ų3955.9 Ų55.917%0.1728%0.279CS..  trans67.436.7-177.6-45.9-167.6-169173.70113.9N26 D92 T94 D128 M129 C157N26-K126 WeakPolarHBondContact O-CE 3.37Å; N26-K126 PolarHBondContact O-NZ 3.22Å; D92-K126 WeakPolarHBondContact OD1-CD 3.44Å; D92-K126 IonicContact OD1-NZ 3.11Å; D92-K126 VanDerWaalsContact OD2-CE 3.3Å; D92-K126 WeakPolarHBondContact OD2-CE 3.46Å; D92-K126 IonicContact OD2-NZ 3.35Å; D92-K126 PolarHBondContact OD2-NZ 3.41Å; T94-K126 HydrophobicContact CG2-CB 4.38Å; K126-D128 VanDerWaalsContact C-OD1 3.28Å; K126-D128 VanDerWaalsContact CA-OD1 3.27Å; K126-D128 WeakPolarHBondContact CA-OD1 3.26Å; K126-D128 PolarHBondContact O-N 2.86Å; K126-M129 HydrophobicContact CB-CG 4.08Å; K126-M129 WeakPolarHBondContact O-CB 3.39Å; K126-M129 PolarHBondContact O-N 3.27Å; K126-C157 PolarHBondContact N-O 3.14Å
127Q98.5Very high97.8Very high55 Ų5550.6 Ų50.626%0.25726%0.263SS..THydrogen-bonded Turntrans-69.6-9.5177.5-65.2-76.4-72.700113.4S93 A124 M129 M133 S156 C157S93-Q127 PolarHBondContact OG-NE2 3.01Å; A124-Q127 WeakPolarHBondContact O-CG 3.48Å; Q127-M129 VanDerWaalsContact C-N 3.25Å; Q127-M133 PolarHBondContact NE2-O 3.18Å; Q127-S156 PolarHBondContact OE1-OG 3.23Å; Q127-C157 WeakPolarHBondContact CG-O 3.49Å; Q127-C157 PolarHBondContact N-O 3.39Å
128D97.4Very high98Very high85 Ų8541.7 Ų41.746%0.45522%0.224SC..THydrogen-bonded Turntrans-71.9-17.9170.956.8-65.7000113.3K126 C158K126-D128 VanDerWaalsContact C-OD1 3.28Å; K126-D128 VanDerWaalsContact CA-OD1 3.27Å; K126-D128 WeakPolarHBondContact CA-OD1 3.26Å; K126-D128 PolarHBondContact O-N 2.86Å; D128-C158 HydrophobicContact CB-CB 4.46Å; D128-C158 VanDerWaalsContact CG-SG 3.5Å; D128-C158 PolarHBondContact OD1-SG 3.29Å
129M97.6Very high98.1Very high98 Ų9842.8 Ų42.848%0.48323%0.232SC..SBendtrans-82.8142.1-176.9-63.2-66.9-72.700111.9T94 K126 Q127 C132T94-M129 HydrophobicContact CG2-CB 3.42Å; T94-M129 VanDerWaalsContact CG2-CB 3.42Å; T94-M129 HydrophobicContact CG2-CG 3.79Å; K126-M129 HydrophobicContact CB-CG 4.08Å; K126-M129 WeakPolarHBondContact O-CB 3.39Å; K126-M129 PolarHBondContact O-N 3.27Å; Q127-M129 VanDerWaalsContact C-N 3.25Å; M129-C132 WeakPolarHBondContact O-CB 3.34Å; M129-C132 PolarHBondContact O-SG 3.47Å
130K95.3Very high98.1Very high192 Ų19250.7 Ų50.784%0.83527%0.265SS*.THydrogen-bonded Turntrans-63147173-65.9-175.5-179.1-1790110.9C132K130-C132 PolarHBondContact O-N 3.25Å
131D93.9Very high98.1Very high147 Ų14755.7 Ų55.779%0.78628%0.284SS*.THydrogen-bonded Turntrans59.313.4177.3-52.7-47.2000115.5R96R96-D131 PolarHBondContact NH2-O 2.89Å; R96-D131 VanDerWaalsContact NH2-O 3.15Å
132C97.7Very high98.1Very high26 Ų2655.7 Ų55.718%0.17628%0.284CS..PPolyproline II helixtrans-61.6150.9173.2700000111.2S93 T94 M129 K130S93-C132 CarbonylContact O-C 3.55Å; S93-C132 WeakPolarHBondContact O-CA 2.84Å; T94-C132 HydrophobicContact CG2-CB 4.13Å; M129-C132 WeakPolarHBondContact O-CB 3.34Å; M129-C132 PolarHBondContact O-SG 3.47Å; K130-C132 PolarHBondContact O-N 3.25Å
133M98.7Very high98.1Very high6 Ų657.9 Ų57.93%0.0330%0.298CS..PPolyproline II helixtrans-67.9133.2171.9-69175.3-77.500110.2S93 R96 L99 Q127 E137 I138S93-M133 WeakPolarHBondContact CB-O 3.34Å; S93-M133 WeakPolarHBondContact O-CB 3.43Å; S93-M133 VanDerWaalsContact O-CE 3.25Å; S93-M133 WeakPolarHBondContact O-CE 3.42Å; S93-M133 PolarHBondContact O-N 2.99Å; R96-M133 HydrophobicContact CB-CE 4.38Å; R96-M133 HydrophobicContact CB-SD 4.39Å; R96-M133 HydrophobicContact CG-CE 3.82Å; R96-M133 HydrophobicContact CG-CG 3.86Å; R96-M133 HydrophobicContact CG-SD 3.71Å; R96-M133 VanDerWaalsContact NH1-CG 3.31Å; L99-M133 HydrophobicContact CD2-CE 4.05Å; L99-M133 HydrophobicContact CD2-SD 3.59Å; L99-M133 VanDerWaalsContact CD2-SD 3.59Å; Q127-M133 PolarHBondContact NE2-O 3.18Å; M133-E137 HydrophobicContact CB-CB 4.25Å; M133-I138 HydrophobicContact CB-CD1 3.96Å; M133-I138 HydrophobicContact CB-CG1 3.69Å; M133-I138 HydrophobicContact CE-CG1 4.38Å; M133-I138 HydrophobicContact SD-CG1 4.15Å
134S98.5Very high98Very high44 Ų4457.9 Ų57.931%0.30830%0.298SS..PPolyproline II helixtrans-63.9156.5165.962.10000111.3A136 E137 I138S134-A136 PolarHBondContact O-N 3.43Å; S134-A136 VanDerWaalsContact O-N 3.15Å; S134-E137 WeakPolarHBondContact CB-OE2 3.33Å; S134-E137 PolarHBondContact N-OE2 3.37Å; S134-E137 PolarHBondContact O-N 3.42Å; S134-E137 VanDerWaalsContact O-N 3.09Å; S134-E137 WeakPolarHBondContact OG-CG 3.29Å; S134-E137 PolarHBondContact OG-N 2.87Å; S134-E137 PolarHBondContact OG-OE2 2.85Å; S134-I138 PolarHBondContact O-N 3.14Å
135A98.4Very high98Very high16 Ų1661.9 Ų61.913%0.13233%0.326CS..Hα-helixtrans-54.2-32.9170.500000112.4A124 S139 I154 S156A124-A135 HydrophobicContact CB-CB 4.21Å; A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.15Å; A135-I154 HydrophobicContact CB-CD1 4.18Å; A135-I154 HydrophobicContact CB-CG1 4.06Å; A135-I154 WeakPolarHBondContact O-CD1 3.42Å; A135-S156 WeakPolarHBondContact CB-OG 3.3Å
136A98.6Very high97.9Very high73 Ų7365 Ų6560%0.60335%0.347SS*.Hα-helixtrans-67.4-42.7176.900000112.6S134 S139 K140S134-A136 PolarHBondContact O-N 3.43Å; S134-A136 VanDerWaalsContact O-N 3.15Å; A136-S139 PolarHBondContact O-N 3.21Å; A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 PolarHBondContact O-N 2.99Å
137E98.5Very high97.9Very high82 Ų8263.4 Ų63.438%0.38334%0.341SS..Hα-helixtrans-62.8-46.7174.6-75.8166.499.500111.4R96 M133 S134 K140 Y141R96-E137 IonicContact CZ-OE1 3.76Å; R96-E137 IonicContact NH1-OE1 2.69Å; R96-E137 PolarHBondContact NH1-OE1 3.1Å; R96-E137 IonicContact NH2-OE1 3.08Å; R96-E137 PolarHBondContact NH2-OE1 3.27Å; M133-E137 HydrophobicContact CB-CB 4.25Å; S134-E137 WeakPolarHBondContact CB-OE2 3.33Å; S134-E137 PolarHBondContact N-OE2 3.37Å; S134-E137 PolarHBondContact O-N 3.42Å; S134-E137 VanDerWaalsContact O-N 3.09Å; S134-E137 WeakPolarHBondContact OG-CG 3.29Å; S134-E137 PolarHBondContact OG-N 2.87Å; S134-E137 PolarHBondContact OG-OE2 2.85Å; E137-K140 PolarHBondContact O-N 3.36Å; E137-Y141 WeakPolarHBondContact O-CB 3.18Å; E137-Y141 PolarHBondContact O-N 2.98Å
138I98.8Very high97.8Very high0 Ų069 Ų690%037%0.365CS..Hα-helixtrans-60.9-47.4177.5-67.8165.3000110.1V91 L99 A124 M133 S134 K140 Y141 L142 I154V91-I138 HydrophobicContact CG1-CD1 4.14Å; V91-I138 HydrophobicContact CG1-CG1 4.5Å; V91-I138 HydrophobicContact CG1-CG2 4.21Å; L99-I138 HydrophobicContact CD1-CG2 4.47Å; A124-I138 HydrophobicContact CB-CD1 3.54Å; M133-I138 HydrophobicContact CB-CD1 3.96Å; M133-I138 HydrophobicContact CB-CG1 3.69Å; M133-I138 HydrophobicContact CE-CG1 4.38Å; M133-I138 HydrophobicContact SD-CG1 4.15Å; S134-I138 PolarHBondContact O-N 3.14Å; I138-K140 VanDerWaalsContact C-N 3.32Å; I138-K140 PolarHBondContact O-N 3.32Å; I138-Y141 PolarHBondContact O-N 3.47Å; I138-L142 HydrophobicContact CG2-CD1 3.63Å; I138-L142 HydrophobicContact CG2-CG 4.06Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 2.98Å; I138-I154 HydrophobicContact CB-CD1 4.07Å; I138-I154 HydrophobicContact CG2-CD1 3.8Å
139S98.7Very high97.7Very high24 Ų2470.3 Ų70.317%0.16837%0.372CS..Hα-helixtrans-57.1-45178.2-1780000112.2A135 A136 T143 L144A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.15Å; A136-S139 PolarHBondContact O-N 3.21Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 VanDerWaalsContact O-N 3.13Å; S139-L144 PolarHBondContact O-N 2.99Å
140K98.6Very high97.7Very high174 Ų17466 Ų6676%0.75735%0.35SS*.Hα-helixtrans-63.4-46.1176.9-175.9179.5178.8-177.80111.5A136 E137 I138 T143A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 PolarHBondContact O-N 2.99Å; E137-K140 PolarHBondContact O-N 3.36Å; I138-K140 VanDerWaalsContact C-N 3.32Å; I138-K140 PolarHBondContact O-N 3.32Å; K140-T143 PolarHBondContact O-N 3.22Å
141Y98.6Very high97.8Very high105 Ų10559.7 Ų59.741%0.41233%0.329SS..Hα-helixtrans-66.4-47.6-177.4-170.7-77.7000112.3L99 K103 E137 I138 T143L99-Y141 HydrophobicContact CB-CD1 4.14Å; L99-Y141 HydrophobicContact CB-CE1 3.9Å; L99-Y141 HydrophobicContact CD2-CD1 3.37Å; L99-Y141 HydrophobicContact CD2-CD2 4.04Å; L99-Y141 HydrophobicContact CD2-CE1 3.98Å; L99-Y141 HydrophobicContact CD2-CG 3.41Å; L99-Y141 VanDerWaalsContact CD2-CG 3.41Å; L99-Y141 HydrophobicContact CG-CD1 3.46Å; L99-Y141 VanDerWaalsContact CG-CD1 3.46Å; L99-Y141 HydrophobicContact CG-CE1 3.73Å; L99-Y141 HydrophobicContact CG-CG 4.06Å; K103-Y141 PolarHBondContact NZ-O 3.24Å; E137-Y141 WeakPolarHBondContact O-CB 3.18Å; E137-Y141 PolarHBondContact O-N 2.98Å; I138-Y141 PolarHBondContact O-N 3.47Å; Y141-T143 PolarHBondContact O-N 3.45Å; Y141-T143 VanDerWaalsContact O-N 3.13Å
142L98.6Very high98.1Very high0 Ų056.5 Ų56.50%031%0.306CS..THydrogen-bonded Turntrans-69.6-4175.3-61.8-175.7000112.8L89 V91 L99 K103 L106 Y107 I138 L144L89-L142 HydrophobicContact CD2-CD1 4.39Å; V91-L142 HydrophobicContact CG2-CD1 4.29Å; L99-L142 HydrophobicContact CD1-CD2 3.91Å; L99-L142 HydrophobicContact CD1-CG 4.35Å; L99-L142 HydrophobicContact CG-CD2 4.14Å; K103-L142 HydrophobicContact CB-CD2 3.74Å; K103-L142 HydrophobicContact CG-CD2 4.34Å; L106-L142 HydrophobicContact CD2-CD1 4.5Å; Y107-L142 VanDerWaalsContact CE2-O 3.3Å; Y107-L142 WeakPolarHBondContact CE2-O 3.39Å; Y107-L142 PolarHBondContact OH-O 3.03Å; I138-L142 HydrophobicContact CG2-CD1 3.63Å; I138-L142 HydrophobicContact CG2-CG 4.06Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 2.98Å; L142-L144 HydrophobicContact CB-CD2 3.7Å; L142-L144 HydrophobicContact CB-CG 3.98Å; L142-L144 HydrophobicContact CD1-CD2 4.25Å; L142-L144 PolarHBondContact O-N 3.04Å
143T98.3Very high98.1Very high47 Ų4757.8 Ų57.829%0.28831%0.309SS..THydrogen-bonded Turntrans52.838.6-178.650.20000112.6K103 Y107 S139 K140 Y141 S145 S146K103-T143 VanDerWaalsContact CE-OG1 3.31Å; K103-T143 WeakPolarHBondContact CE-OG1 3.44Å; K103-T143 PolarHBondContact NZ-OG1 2.89Å; K103-T143 VanDerWaalsContact NZ-OG1 3.15Å; Y107-T143 PolarHBondContact OH-O 2.99Å; Y107-T143 VanDerWaalsContact OH-O 3.09Å; Y107-T143 PolarHBondContact OH-OG1 3.46Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 VanDerWaalsContact O-N 3.13Å; K140-T143 PolarHBondContact O-N 3.22Å; Y141-T143 PolarHBondContact O-N 3.45Å; Y141-T143 VanDerWaalsContact O-N 3.13Å; T143-S145 PolarHBondContact O-N 3.17Å; T143-S146 PolarHBondContact O-N 3.25Å; T143-S146 PolarHBondContact O-OG 3.27Å
144L98.4Very high98.1Very high0 Ų058.7 Ų58.70%031%0.314CS..G310 helixtrans-56.1-29.7-173.2-59.8-176.5000113.2L106 I122 S139 L142 S146 I147 W152 I154L106-L144 HydrophobicContact CD2-CD2 3.85Å; I122-L144 HydrophobicContact CD1-CD1 3.78Å; I122-L144 HydrophobicContact CD1-CD2 4.27Å; I122-L144 HydrophobicContact CG1-CD1 4.19Å; I122-L144 HydrophobicContact CG1-CD2 4.48Å; S139-L144 PolarHBondContact O-N 2.99Å; L142-L144 HydrophobicContact CB-CD2 3.7Å; L142-L144 HydrophobicContact CB-CG 3.98Å; L142-L144 HydrophobicContact CD1-CD2 4.25Å; L142-L144 PolarHBondContact O-N 3.04Å; L144-S146 PolarHBondContact O-N 3.19Å; L144-S146 VanDerWaalsContact O-N 3.14Å; L144-I147 HydrophobicContact CD2-CD1 3.81Å; L144-I147 WeakPolarHBondContact O-CB 3.44Å; L144-I147 PolarHBondContact O-N 2.62Å; L144-W152 HydrophobicContact CB-CD2 4.21Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 3.9Å; L144-W152 HydrophobicContact CB-CZ2 3.91Å; L144-W152 HydrophobicContact CB-CZ3 4.01Å; L144-W152 HydrophobicContact CD1-CE3 4.03Å; L144-W152 HydrophobicContact CD1-CZ3 3.96Å; L144-W152 PolarHBondContact O-NE1 3.16Å; L144-I154 HydrophobicContact CD1-CB 4.2Å; L144-I154 HydrophobicContact CD1-CD1 4.07Å
145S97.8Very high98.1Very high83 Ų8358.3 Ų58.358%0.5831%0.307SS*.G310 helixtrans-58.8-21.7174.866.90000115.1T143 K148T143-S145 PolarHBondContact O-N 3.17Å; S145-K148 WeakPolarHBondContact O-CE 3.4Å; S145-K148 PolarHBondContact O-NZ 3.2Å
146S97.6Very high98.1Very high68 Ų6859.5 Ų59.548%0.47631%0.314SS..G310 helixtrans-82-13.2175.260.50000113.7Y107 T143 L144 K148Y107-S146 PolarHBondContact OH-OG 2.86Å; Y107-S146 VanDerWaalsContact OH-OG 3.12Å; T143-S146 PolarHBondContact O-N 3.25Å; T143-S146 PolarHBondContact O-OG 3.27Å; L144-S146 PolarHBondContact O-N 3.19Å; L144-S146 VanDerWaalsContact O-N 3.14Å; S146-K148 PolarHBondContact O-N 2.86Å
147I98Very high98.1Very high7 Ų756.1 Ų56.14%0.03629%0.287CS..  trans-76.1114.9174.4-55.9167.6000107.6L106 Y107 L110 L120 L144 H150L106-I147 HydrophobicContact CD2-CD1 4.36Å; Y107-I147 HydrophobicContact CE1-CG1 4.22Å; L110-I147 HydrophobicContact CD1-CD1 3.68Å; L110-I147 HydrophobicContact CD1-CG1 4.03Å; L110-I147 HydrophobicContact CD1-CG2 4.09Å; L120-I147 HydrophobicContact CD2-CD1 4.05Å; L144-I147 HydrophobicContact CD2-CD1 3.81Å; L144-I147 WeakPolarHBondContact O-CB 3.44Å; L144-I147 PolarHBondContact O-N 2.62Å; I147-H150 HydrophobicContact CG2-CB 3.86Å
148K96.5Very high98.1Very high173 Ų17352.4 Ų52.475%0.75227%0.27SS*.  trans-119.3-21.6-175-61.1-56.2-176.8-165.90113.5S145 S146S145-K148 WeakPolarHBondContact O-CE 3.4Å; S145-K148 PolarHBondContact O-NZ 3.2Å; S146-K148 PolarHBondContact O-N 2.86Å
149D95.8Very high98Very high112 Ų11252.6 Ų52.660%0.59927%0.271SS*.SBendtrans-90.1-16.2-176.946.6-11.1000113.3
150H97.4Very high97.9Very high7 Ų755.8 Ų55.83%0.03229%0.286CS..SBendtrans-119.6133.5174.9-60-99.9000111.6L115 A118 I147 W152L115-H150 PolarHBondContact O-CE1 3.15Å; A118-H150 PolarHBondContact O-ND1 2.87Å; I147-H150 HydrophobicContact CG2-CB 3.86Å; H150-W152 PolarHBondContact O-N 3.05Å
151P97.6Very high97.7Very high60 Ų6051.8 Ų51.839%0.3928%0.276SS..  trans-61.7133.8162.3-16.229.8000109.2A119 L120A119-P151 WeakPolarHBondContact CA-O 3.46Å; A119-P151 HydrophobicContact CB-CB 4.31Å; L120-P151 PolarHBondContact N-O 3.16Å
152W98.5Very high97.5Very high79 Ų7947.6 Ų47.630%0.29927%0.265SS..EExtended strand (participates in β ladder)trans-140.1158.3178.464.9-95.7000113.5L120 I122 L144 H150 I154L120-W152 HydrophobicContact CB-CB 3.99Å; L120-W152 HydrophobicContact CD2-CB 4.29Å; L120-W152 HydrophobicContact CG-CB 4.41Å; L120-W152 CarbonylContact O-C 3.59Å; L120-W152 WeakPolarHBondContact O-CA 3.41Å; L120-W152 WeakPolarHBondContact O-CB 3.26Å; I122-W152 HydrophobicContact CD1-CB 4.38Å; I122-W152 HydrophobicContact CD1-CE3 4.44Å; L144-W152 HydrophobicContact CB-CD2 4.21Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 3.9Å; L144-W152 HydrophobicContact CB-CZ2 3.91Å; L144-W152 HydrophobicContact CB-CZ3 4.01Å; L144-W152 HydrophobicContact CD1-CE3 4.03Å; L144-W152 HydrophobicContact CD1-CZ3 3.96Å; L144-W152 PolarHBondContact O-NE1 3.16Å; H150-W152 PolarHBondContact O-N 3.05Å; W152-I154 HydrophobicContact CZ3-CG2 4.15Å
153H98.6Very high97.4Very high54 Ų5454.4 Ų54.425%0.2530%0.296CS..EExtended strand (participates in β ladder)trans-145145.3171.3-179.961.1000109.9L120 L121 I122 Q155 W171L120-H153 PolarHBondContact O-N 2.7Å; L121-H153 HydrophobicContact CD1-CB 4.22Å; I122-H153 VanDerWaalsContact CD1-O 3.22Å; I122-H153 WeakPolarHBondContact CD1-O 3.2Å; I122-H153 PolarHBondContact N-O 3.05Å; H153-Q155 PolarHBondContact NE2-OE1 2.97Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.17Å; H153-W171 HydrophobicContact CB-CD2 3.45Å; H153-W171 VanDerWaalsContact CB-CD2 3.45Å; H153-W171 HydrophobicContact CB-CE3 3.97Å; H153-W171 HydrophobicContact CB-CG 3.74Å; H153-W171 HydrophobicContact CB-CH2 4.22Å; H153-W171 HydrophobicContact CB-CZ2 3.73Å; H153-W171 HydrophobicContact CB-CZ3 4.33Å; H153-W171 AromaticContact CG-CD1 3.9Å; H153-W171 AromaticContact CG-CG 3.93Å
154I98.8Very high97.4Very high25 Ų2552.3 Ų52.313%0.12828%0.284CS..EExtended strand (participates in β ladder)trans-117.4132.2171.9-173.6164.1000109.5I122 A124 A135 I138 L144 W152I122-I154 HydrophobicContact CB-CB 4.18Å; I122-I154 HydrophobicContact CB-CD1 4.32Å; I122-I154 HydrophobicContact CB-CG1 3.97Å; I122-I154 HydrophobicContact CG2-CD1 4.03Å; I122-I154 HydrophobicContact CG2-CG1 4.09Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.42Å; A124-I154 HydrophobicContact CB-CD1 4.48Å; A124-I154 HydrophobicContact CB-CG1 4.45Å; A135-I154 HydrophobicContact CB-CD1 4.18Å; A135-I154 HydrophobicContact CB-CG1 4.06Å; A135-I154 WeakPolarHBondContact O-CD1 3.42Å; I138-I154 HydrophobicContact CB-CD1 4.07Å; I138-I154 HydrophobicContact CG2-CD1 3.8Å; L144-I154 HydrophobicContact CD1-CB 4.2Å; L144-I154 HydrophobicContact CD1-CD1 4.07Å; W152-I154 HydrophobicContact CZ3-CG2 4.15Å
155Q98.8Very high97.3Very high36 Ų3652.5 Ų52.517%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-129.1120.5-175.1-175.855.957.900109.7L121 I122 F123 A124 H153 G164 Q167L121-Q155 HydrophobicContact CD1-CB 4.41Å; I122-Q155 PolarHBondContact O-N 2.83Å; F123-Q155 WeakPolarHBondContact CA-O 3.21Å; F123-Q155 HydrophobicContact CD1-CB 3.97Å; F123-Q155 HydrophobicContact CD1-CG 4.18Å; F123-Q155 HydrophobicContact CE1-CB 4.01Å; F123-Q155 HydrophobicContact CE1-CG 3.9Å; A124-Q155 PolarHBondContact N-O 3.37Å; H153-Q155 PolarHBondContact NE2-OE1 2.97Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.17Å; Q155-G164 WeakPolarHBondContact CG-O 2.95Å; Q155-Q167 HydrophobicContact CG-CB 4.41Å
156S98.7Very high97.1Very high40 Ų4052 Ų5228%0.2828%0.281SS..EExtended strand (participates in β ladder)trans-63.2133165-78.90000109.1Q127 A135 G164Q127-S156 PolarHBondContact OE1-OG 3.23Å; A135-S156 WeakPolarHBondContact CB-OG 3.3Å; S156-G164 WeakPolarHBondContact O-CA 3.14Å
157C98.6Very high97Very high3 Ų353.1 Ų53.12%0.0228%0.279CS..  trans-149.9165.1177.170.70000113.9F123 A124 N125 K126 Q127 E163 L165F123-C157 HydrophobicContact CD1-CB 3.86Å; F123-C157 WeakPolarHBondContact CD1-SG 3.2Å; F123-C157 HydrophobicContact CE1-CB 4.28Å; A124-C157 PolarHBondContact O-N 3.33Å; N125-C157 CarbonylContact C-O 3.54Å; N125-C157 WeakPolarHBondContact CA-O 3.35Å; N125-C157 VanDerWaalsContact CA-SG 3.59Å; K126-C157 PolarHBondContact N-O 3.14Å; Q127-C157 WeakPolarHBondContact CG-O 3.49Å; Q127-C157 PolarHBondContact N-O 3.39Å; C157-E163 CarbonylContact C-O 3.52Å; C157-E163 WeakPolarHBondContact CA-O 3.15Å; C157-E163 WeakPolarHBondContact CB-O 3.46Å; C157-L165 HydrophobicContact CB-CD2 3.64Å; C157-L165 HydrophobicContact CB-CG 4.37Å
158C98.1Very high97Very high4 Ų452.8 Ų52.83%0.02728%0.277CS..  trans-126.9112.3165.3175.60000109D128 L160 T161 G162 E163D128-C158 HydrophobicContact CB-CB 4.46Å; D128-C158 VanDerWaalsContact CG-SG 3.5Å; D128-C158 PolarHBondContact OD1-SG 3.29Å; C158-L160 PolarHBondContact O-N 2.63Å; C158-T161 WeakPolarHBondContact CB-OG1 3.2Å; C158-T161 PolarHBondContact O-N 3.14Å; C158-G162 WeakPolarHBondContact O-CA 3.28Å; C158-G162 PolarHBondContact O-N 2.95Å; C158-E163 PolarHBondContact N-O 3.42Å
159A96.9Very high96.9Very high4 Ų445.1 Ų45.13%0.03324%0.244CC..THydrogen-bonded Turntrans-61.7-25.1178.900000113.4T31 I32 Q35 N125T31-A159 HydrophobicContact CG2-CB 3.78Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.57Å; Q35-A159 PolarHBondContact OE1-O 2.98Å; N125-A159 WeakPolarHBondContact OD1-CB 3.46Å; N125-A159 PolarHBondContact OD1-N 2.82Å
160L94.9Very high96.8Very high90 Ų9044.2 Ų44.247%0.47124%0.236SC..THydrogen-bonded Turntrans-81.2-27.7-179.7-57.4178.1000113T31 V41 C158T31-L160 HydrophobicContact CG2-CD2 4.07Å; V41-L160 HydrophobicContact CG1-CD2 3.58Å; V41-L160 HydrophobicContact CG2-CB 4.39Å; V41-L160 WeakPolarHBondContact CG2-O 3.46Å; C158-L160 PolarHBondContact O-N 2.63Å
161T94.4Very high96.7Very high90 Ų9045.3 Ų45.355%0.55224%0.24SC*.THydrogen-bonded Turntrans-103.3-15.4178.5650000112.4C158 E163C158-T161 WeakPolarHBondContact CB-OG1 3.2Å; C158-T161 PolarHBondContact O-N 3.14Å; T161-E163 PolarHBondContact O-N 2.91Å; T161-E163 WeakPolarHBondContact OG1-CB 3.37Å; T161-E163 PolarHBondContact OG1-N 3.37Å
162G95.1Very high96.6Very high17 Ų1742.5 Ų42.518%0.17522%0.222CC..  trans77.6-2.4-170.700000113.9C158 G164 L165C158-G162 WeakPolarHBondContact O-CA 3.28Å; C158-G162 PolarHBondContact O-N 2.95Å; G162-G164 PolarHBondContact O-N 3.04Å; G162-L165 WeakPolarHBondContact O-CB 3.42Å; G162-L165 PolarHBondContact O-N 3.07Å
163E96.9Very high96.3Very high143 Ų14339.8 Ų39.867%0.66821%0.214SC*.THydrogen-bonded Turntrans-59.9134.4178.9-172.3178.4-179.700110.8C157 C158 T161 L165C157-E163 CarbonylContact C-O 3.52Å; C157-E163 WeakPolarHBondContact CA-O 3.15Å; C157-E163 WeakPolarHBondContact CB-O 3.46Å; C158-E163 PolarHBondContact N-O 3.42Å; T161-E163 PolarHBondContact O-N 2.91Å; T161-E163 WeakPolarHBondContact OG1-CB 3.37Å; T161-E163 PolarHBondContact OG1-N 3.37Å; E163-L165 PolarHBondContact O-N 3.27Å
164G97.4Very high96Very high3 Ų340.4 Ų40.43%0.03122%0.224CC..THydrogen-bonded Turntrans82.4-20179.700000114.8Q155 S156 G162 Q167 G168Q155-G164 WeakPolarHBondContact CG-O 2.95Å; S156-G164 WeakPolarHBondContact O-CA 3.14Å; G162-G164 PolarHBondContact O-N 3.04Å; G164-Q167 PolarHBondContact O-N 3.23Å; G164-Q167 PolarHBondContact O-OE1 2.69Å; G164-G168 PolarHBondContact O-N 3.38Å
165L96.4Very high95.6Very high4 Ų444 Ų442%0.02124%0.236CC..Hα-helixtrans-68.5-40.6-174.7-62.1-171.4000112.4I32 Q35 F36 F123 C157 G162 E163 Q167 G168 L169I32-L165 HydrophobicContact CD1-CD2 4.12Å; I32-L165 HydrophobicContact CG1-CD1 4.44Å; I32-L165 HydrophobicContact CG1-CD2 3.97Å; I32-L165 HydrophobicContact CG2-CD1 4.42Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å; Q35-L165 HydrophobicContact CB-CD1 3.86Å; Q35-L165 HydrophobicContact CG-CD1 3.58Å; F36-L165 HydrophobicContact CD1-CB 4.48Å; F36-L165 HydrophobicContact CE1-CB 3.63Å; F36-L165 HydrophobicContact CE1-CD1 4.22Å; F36-L165 HydrophobicContact CE1-CG 4.43Å; F36-L165 HydrophobicContact CZ-CB 4.23Å; F123-L165 HydrophobicContact CD1-CD2 4.09Å; F123-L165 HydrophobicContact CD2-CD2 4.5Å; F123-L165 HydrophobicContact CE1-CD2 3.79Å; F123-L165 HydrophobicContact CE2-CD2 4.23Å; F123-L165 HydrophobicContact CG-CD2 4.45Å; F123-L165 HydrophobicContact CZ-CD2 3.86Å; C157-L165 HydrophobicContact CB-CD2 3.64Å; C157-L165 HydrophobicContact CB-CG 4.37Å; G162-L165 WeakPolarHBondContact O-CB 3.42Å; G162-L165 PolarHBondContact O-N 3.07Å; E163-L165 PolarHBondContact O-N 3.27Å; L165-Q167 PolarHBondContact O-N 3.21Å; L165-G168 PolarHBondContact O-N 2.65Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-L169 VanDerWaalsContact O-N 3.09Å
166C93.7Very high94.9Very high72 Ų7242.7 Ų42.749%0.48623%0.232SC..Hα-helixtrans-60-44.7177.8-172.30000111.6G168 L169 E170C166-G168 VanDerWaalsContact C-N 3.29Å; C166-G168 PolarHBondContact O-N 3.2Å; C166-L169 PolarHBondContact O-N 3.3Å; C166-L169 VanDerWaalsContact O-N 3.14Å; C166-E170 WeakPolarHBondContact O-CG 3.41Å; C166-E170 PolarHBondContact O-N 3.23Å
167Q96.4Very high93.4Very high93 Ų9344 Ų4444%0.43525%0.252SS..Hα-helixtrans-61.8-37.6179.1-64.284.9-13.500111.9Q155 G164 L165 W171Q155-Q167 HydrophobicContact CG-CB 4.41Å; G164-Q167 PolarHBondContact O-N 3.23Å; G164-Q167 PolarHBondContact O-OE1 2.69Å; L165-Q167 PolarHBondContact O-N 3.21Å; Q167-W171 PolarHBondContact O-N 3.46Å; Q167-W171 VanDerWaalsContact O-N 3.12Å
168G97.1Very high91.4Very high0 Ų049.8 Ų49.80%028%0.282CS..Hα-helixtrans-64.1-44.917400000112.5G164 L165 C166 W171 M172G164-G168 PolarHBondContact O-N 3.38Å; L165-G168 PolarHBondContact O-N 2.65Å; C166-G168 VanDerWaalsContact C-N 3.29Å; C166-G168 PolarHBondContact O-N 3.2Å; G168-W171 WeakPolarHBondContact O-CB 3.33Å; G168-W171 PolarHBondContact O-N 2.67Å; G168-M172 PolarHBondContact O-N 3.11Å; G168-M172 VanDerWaalsContact O-N 3.13Å
169L93.9Very high89Confident12 Ų1258.3 Ų58.36%0.06331%0.313CS..Hα-helixtrans-66.1-40.1176.1-71.7179000112.7F36 V57 M64 L165 C166 W171 M172 T173F36-L169 HydrophobicContact CD1-CD1 3.38Å; F36-L169 HydrophobicContact CD1-CG 4.21Å; F36-L169 HydrophobicContact CE1-CD1 3.12Å; F36-L169 HydrophobicContact CE1-CD2 4.05Å; F36-L169 HydrophobicContact CE1-CG 3.48Å; F36-L169 VanDerWaalsContact CE1-CG 3.48Å; F36-L169 HydrophobicContact CE2-CD1 4.4Å; F36-L169 HydrophobicContact CE2-CD2 4.03Å; F36-L169 HydrophobicContact CE2-CG 4.36Å; F36-L169 HydrophobicContact CG-CD1 4.12Å; F36-L169 HydrophobicContact CZ-CD1 3.72Å; F36-L169 HydrophobicContact CZ-CD2 3.72Å; F36-L169 HydrophobicContact CZ-CG 3.58Å; V57-L169 HydrophobicContact CG1-CB 4.5Å; V57-L169 HydrophobicContact CG2-CB 4.38Å; V57-L169 HydrophobicContact CG2-CD1 3.72Å; V57-L169 HydrophobicContact CG2-CD2 4.41Å; V57-L169 HydrophobicContact CG2-CG 4.41Å; M64-L169 HydrophobicContact CE-CD2 3.84Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-L169 VanDerWaalsContact O-N 3.09Å; C166-L169 PolarHBondContact O-N 3.3Å; C166-L169 VanDerWaalsContact O-N 3.14Å; L169-W171 VanDerWaalsContact C-N 3.26Å; L169-W171 PolarHBondContact O-N 3.11Å; L169-M172 HydrophobicContact CD2-SD 4.27Å; L169-M172 WeakPolarHBondContact O-CA 3.48Å; L169-M172 WeakPolarHBondContact O-CB 3.46Å; L169-M172 PolarHBondContact O-N 3.28Å; L169-T173 PolarHBondContact O-N 2.9Å; L169-T173 PolarHBondContact O-OG1 2.88Å; L169-T173 VanDerWaalsContact O-OG1 3.13Å
170E93.5Very high88.6Confident92 Ų9261 Ų6143%0.4333%0.327SS..Hα-helixtrans-60-39.5176-74.4-175.6146.800111.6K58 C166 T173 S174K58-E170 IonicContact NZ-OE1 4Å; C166-E170 WeakPolarHBondContact O-CG 3.41Å; C166-E170 PolarHBondContact O-N 3.23Å; E170-T173 PolarHBondContact O-N 3.14Å; E170-S174 WeakPolarHBondContact O-CB 3.48Å; E170-S174 PolarHBondContact O-N 3.24Å
171W96.1Very high88.3Confident31 Ų3159.5 Ų59.512%0.11732%0.32CS..Hα-helixtrans-60.8-45.8171.6178.288.4000111.4A119 L120 L121 H153 Q167 G168 L169 S174 R175A119-W171 HydrophobicContact CB-CH2 3.95Å; A119-W171 HydrophobicContact CB-CZ3 4.42Å; L120-W171 WeakPolarHBondContact O-CH2 3.44Å; L121-W171 HydrophobicContact CB-CE3 4.18Å; L121-W171 HydrophobicContact CB-CZ3 3.88Å; L121-W171 HydrophobicContact CD1-CE3 4.15Å; H153-W171 HydrophobicContact CB-CD2 3.45Å; H153-W171 VanDerWaalsContact CB-CD2 3.45Å; H153-W171 HydrophobicContact CB-CE3 3.97Å; H153-W171 HydrophobicContact CB-CG 3.74Å; H153-W171 HydrophobicContact CB-CH2 4.22Å; H153-W171 HydrophobicContact CB-CZ2 3.73Å; H153-W171 HydrophobicContact CB-CZ3 4.33Å; H153-W171 AromaticContact CG-CD1 3.9Å; H153-W171 AromaticContact CG-CG 3.93Å; Q167-W171 PolarHBondContact O-N 3.46Å; Q167-W171 VanDerWaalsContact O-N 3.12Å; G168-W171 WeakPolarHBondContact O-CB 3.33Å; G168-W171 PolarHBondContact O-N 2.67Å; L169-W171 VanDerWaalsContact C-N 3.26Å; L169-W171 PolarHBondContact O-N 3.11Å; W171-S174 WeakPolarHBondContact O-CB 3.3Å; W171-S174 PolarHBondContact O-N 3.12Å; W171-S174 PolarHBondContact O-OG 2.77Å; W171-R175 HydrophobicContact CD2-CG 4.45Å; W171-R175 HydrophobicContact CZ2-CG 4.26Å; W171-R175 WeakPolarHBondContact O-CG 3.47Å; W171-R175 PolarHBondContact O-N 3.39Å
172M95.3Very high88Confident0 Ų057.8 Ų57.80%031%0.307CS..Hα-helixtrans-60.6-47.5176.5-69.9177.755.100112.1V19 F62 F86 I88 L121 G168 L169 S174 R175 A176V19-M172 HydrophobicContact CG1-CE 3.99Å; V19-M172 HydrophobicContact CG2-CE 3.8Å; F62-M172 HydrophobicContact CD1-CE 3.97Å; F62-M172 HydrophobicContact CE1-CB 4.31Å; F62-M172 HydrophobicContact CE1-CE 3.82Å; F62-M172 HydrophobicContact CZ-CB 4.11Å; F62-M172 HydrophobicContact CZ-CE 4.43Å; F86-M172 HydrophobicContact CB-CE 3.57Å; F86-M172 HydrophobicContact CD1-CB 4.29Å; F86-M172 HydrophobicContact CD1-CE 4.03Å; F86-M172 HydrophobicContact CD1-CG 4.06Å; F86-M172 HydrophobicContact CD2-CE 4.09Å; F86-M172 HydrophobicContact CE1-CB 4.2Å; F86-M172 HydrophobicContact CE1-CG 4.39Å; F86-M172 HydrophobicContact CG-CE 3.63Å; F86-M172 WeakPolarHBondContact CZ-O 3.35Å; I88-M172 HydrophobicContact CD1-CE 4.22Å; I88-M172 HydrophobicContact CD1-SD 3.78Å; I88-M172 HydrophobicContact CG1-CE 4.41Å; I88-M172 HydrophobicContact CG1-SD 3.92Å; L121-M172 HydrophobicContact CB-CG 4.39Å; L121-M172 HydrophobicContact CB-SD 4.33Å; L121-M172 HydrophobicContact CD2-CG 3.97Å; L121-M172 HydrophobicContact CD2-SD 3.57Å; L121-M172 VanDerWaalsContact CD2-SD 3.57Å; G168-M172 PolarHBondContact O-N 3.11Å; G168-M172 VanDerWaalsContact O-N 3.13Å; L169-M172 HydrophobicContact CD2-SD 4.27Å; L169-M172 WeakPolarHBondContact O-CA 3.48Å; L169-M172 WeakPolarHBondContact O-CB 3.46Å; L169-M172 PolarHBondContact O-N 3.28Å; M172-S174 VanDerWaalsContact C-N 3.26Å; M172-S174 PolarHBondContact O-N 3.11Å; M172-R175 WeakPolarHBondContact O-CB 3.49Å; M172-R175 PolarHBondContact O-N 2.87Å; M172-A176 PolarHBondContact O-N 2.83Å
173T92.6Very high87.6Confident23 Ų2360.2 Ų60.214%0.14131%0.314CS..Hα-helixtrans-58.4-39.1176.5-57.10000111.6L169 E170 R175 A176 G177L169-T173 PolarHBondContact O-N 2.9Å; L169-T173 PolarHBondContact O-OG1 2.88Å; L169-T173 VanDerWaalsContact O-OG1 3.13Å; E170-T173 PolarHBondContact O-N 3.14Å; T173-R175 PolarHBondContact O-N 3.27Å; T173-A176 PolarHBondContact O-N 3.25Å; T173-G177 PolarHBondContact O-N 3.15Å
174S92.1Very high87Confident66 Ų6655 Ų5546%0.46229%0.292SS..Hα-helixtrans-63.8-23.3176.681.70000113.6E170 W171 M172 L178E170-S174 WeakPolarHBondContact O-CB 3.48Å; E170-S174 PolarHBondContact O-N 3.24Å; W171-S174 WeakPolarHBondContact O-CB 3.3Å; W171-S174 PolarHBondContact O-N 3.12Å; W171-S174 PolarHBondContact O-OG 2.77Å; M172-S174 VanDerWaalsContact C-N 3.26Å; M172-S174 PolarHBondContact O-N 3.11Å; S174-L178 WeakPolarHBondContact O-CG 3.42Å
175R90.5Very high86.3Confident100 Ų10058.5 Ų58.538%0.37731%0.31SS..Hα-helixtrans-90.5-34176.3-61.3-56.5-178.3179.6-1112.6F86 W171 M172 T173 G177 L178F86-R175 HydrophobicContact CE1-CB 3.79Å; F86-R175 HydrophobicContact CZ-CB 4.04Å; W171-R175 HydrophobicContact CD2-CG 4.45Å; W171-R175 HydrophobicContact CZ2-CG 4.26Å; W171-R175 WeakPolarHBondContact O-CG 3.47Å; W171-R175 PolarHBondContact O-N 3.39Å; M172-R175 WeakPolarHBondContact O-CB 3.49Å; M172-R175 PolarHBondContact O-N 2.87Å; T173-R175 PolarHBondContact O-N 3.27Å; R175-G177 VanDerWaalsContact C-N 3.27Å; R175-G177 PolarHBondContact O-N 3.49Å; R175-L178 PolarHBondContact O-N 3.28Å
176A84.4Confident85.5Confident10 Ų1062.4 Ų62.48%0.08333%0.33CS..Hα-helixtrans-59-39175.800000111.8T60 F86 M172 T173 L178T60-A176 HydrophobicContact CG2-CB 4.06Å; F86-A176 HydrophobicContact CE2-CB 4.32Å; F86-A176 HydrophobicContact CZ-CB 4.12Å; M172-A176 PolarHBondContact O-N 2.83Å; T173-A176 PolarHBondContact O-N 3.25Å; A176-L178 VanDerWaalsContact C-N 3.31Å; A176-L178 PolarHBondContact O-N 2.82Å
177G66.5Low84.9Confident67 Ų6761.6 Ų61.669%0.69132%0.318SS*.THydrogen-bonded Turntrans-79.33.3179.400000116.6T173 R175 R179T173-G177 PolarHBondContact O-N 3.15Å; R175-G177 VanDerWaalsContact C-N 3.27Å; R175-G177 PolarHBondContact O-N 3.49Å; G177-R179 VanDerWaalsContact C-N 3.33Å
178L57.8Low84Confident124 Ų12459 Ų5965%0.64931%0.309SS*.THydrogen-bonded Turntrans-92.615.8179.1-69.2172.5000113.5S174 R175 A176S174-L178 WeakPolarHBondContact O-CG 3.42Å; R175-L178 PolarHBondContact O-N 3.28Å; A176-L178 VanDerWaalsContact C-N 3.31Å; A176-L178 PolarHBondContact O-N 2.82Å
179R47.9Very low82.8Confident183 Ų18364.4 Ų64.469%0.69134%0.337SS*.  trans-1010177.2-73.7-172.5173.5175.85.8112.6E85 G177E85-R179 IonicContact OE1-CZ 3.59Å; E85-R179 IonicContact OE1-NH1 2.77Å; E85-R179 PolarHBondContact OE1-NH1 3.35Å; E85-R179 IonicContact OE1-NH2 3.68Å; E85-R179 IonicContact OE2-CZ 3.2Å; E85-R179 IonicContact OE2-NE 3.99Å; E85-R179 IonicContact OE2-NH1 3.04Å; E85-R179 PolarHBondContact OE2-NH1 2.86Å; E85-R179 IonicContact OE2-NH2 3.27Å; E85-R179 PolarHBondContact OE2-NH2 3.18Å; G177-R179 VanDerWaalsContact C-N 3.33Å

Retrieved 179 of 179 residues in 178.4 ms (Link to these results)

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