RL13_STAA8 Loading...

Large ribosomal subunit protein uL13

This protein is one of the early assembly proteins of the 50S ribosomal subunit, although it is not seen to bind rRNA by itself. It is important during the early stages of 50S assembly.

AlphaFold DB , UniProt , Accession Q2FW38, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene rplM, Length 145 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64.9Low82.8Confident238 Ų238135.6 Ų135.6100%1.17267%0.668SS**  0128.50-164.4-175.1-77.700107.5
2R76.9Confident83.1Confident244 Ų244126.9 Ų126.992%0.92163%0.626SS**  trans-75141.2177.3-77.2-176.5173.5178.6-1.8109.5
3Q84.2Confident83.6Confident195 Ų195130.1 Ų130.191%0.91164%0.638SS**  trans-90.8129-178.3-67.6-179.4-6.700110.3
4T88.9Confident84.2Confident120 Ų120127.6 Ų127.674%0.73662%0.618SS**  trans-108.6142.6170.5-47.40000107.3M6T4-M6 PolarHBondContact O-N 3.16Å
5F88.2Confident84.9Confident126 Ų126124.9 Ų124.955%0.55360%0.602SS**  trans-57.7129.6178.1178.8-98000110.6A7 T44F5-A7 HydrophobicContact CE1-CB 4.15Å; F5-T44 HydrophobicContact CD1-CG2 4.43Å; F5-T44 HydrophobicContact CE1-CG2 3.71Å; F5-T44 HydrophobicContact CZ-CG2 4.38Å
6M87.1Confident85.6Confident116 Ų116119.3 Ų119.357%0.57157%0.573SS**  trans-118.5128.2170.3-63.3-167.2-174.900107.7T4 N8T4-M6 PolarHBondContact O-N 3.16Å; M6-N8 PolarHBondContact O-OD1 3.17Å
7A85.4Confident86.2Confident2 Ų2113.9 Ų113.92%0.01755%0.546CS..  trans-71.3138.617600000110F5 T44 T46 V49 T51F5-A7 HydrophobicContact CE1-CB 4.15Å; A7-T44 WeakPolarHBondContact CB-O 3.5Å; A7-T46 WeakPolarHBondContact CB-OG1 3.29Å; A7-T46 PolarHBondContact N-OG1 3.15Å; A7-V49 WeakPolarHBondContact O-CG2 3.36Å; A7-T51 HydrophobicContact CB-CG2 3.87Å
8N84.9Confident86.8Confident90 Ų90108.2 Ų108.248%0.48152%0.519SS..  trans-112.4156.8174.4-57.3-13.5000108.3M6 S10 N11 I12M6-N8 PolarHBondContact O-OD1 3.17Å; N8-S10 PolarHBondContact O-N 2.72Å; N8-N11 PolarHBondContact O-N 2.79Å; N8-I12 WeakPolarHBondContact O-CG1 3.39Å
9E83Confident87.3Confident165 Ų165102.6 Ų102.677%0.77149%0.492SS*.G310 helixtrans-54.4-31.3-178.5-73-174.9164.100113.7N11E9-N11 VanDerWaalsContact C-N 3.27Å; E9-N11 PolarHBondContact O-N 2.87Å
10S84Confident87.7Confident102 Ų102101 Ų10171%0.71349%0.486SS*.G310 helixtrans-67.3-22.6176.758.90000114.6N8N8-S10 PolarHBondContact O-N 2.72Å
11N82.9Confident88Confident94 Ų9496.2 Ų96.250%0.50346%0.463SS..G310 helixtrans-105.410.7-169.8-62.71.1000112.2N8 E9N8-N11 PolarHBondContact O-N 2.79Å; E9-N11 VanDerWaalsContact C-N 3.27Å; E9-N11 PolarHBondContact O-N 2.87Å
12I87.3Confident89.4Confident31 Ų3189.2 Ų89.216%0.15943%0.428CS..  trans-102.4106.7-173-57.3167.3000109N8 R14 V49 T51N8-I12 WeakPolarHBondContact O-CG1 3.39Å; I12-R14 HydrophobicContact CG2-CG 3.91Å; I12-V49 HydrophobicContact CD1-CG1 3.43Å; I12-V49 VanDerWaalsContact CD1-CG1 3.43Å; I12-T51 HydrophobicContact CD1-CG2 4.07Å; I12-T51 HydrophobicContact CG1-CG2 4.2Å
13E88.7Confident90.1Very high168 Ų16880.1 Ų80.179%0.78541%0.41SS*.  trans-84.3129.7163.2-69.9-179.7178.700109.5K42E13-K42 PolarHBondContact O-NZ 3.06Å
14R92.7Very high90.6Very high96 Ų9674.1 Ų74.136%0.36238%0.381SS..  trans-113.3129.1177.5-61.8-177.6-179.1149.22.3108.8I12 D50 D53 Y54 K122I12-R14 HydrophobicContact CG2-CG 3.91Å; R14-D50 PolarHBondContact NH2-O 3.49Å; R14-D50 VanDerWaalsContact NH2-O 3.09Å; R14-D50 IonicContact NH2-OD2 2.72Å; R14-D53 WeakPolarHBondContact CA-OD1 3.29Å; R14-Y54 HydrophobicContact CB-CD2 4.11Å; R14-Y54 HydrophobicContact CB-CE2 3.95Å; R14-Y54 HydrophobicContact CG-CE2 4.47Å; R14-K122 VanDerWaalsContact NE-NZ 3.19Å
15K94.3Very high90.8Very high87 Ų8770.4 Ų70.438%0.37836%0.359SS..  trans-97.2163.8172.5-65.9-169.5166-1490110.4Y17 D53 Y54 E139K15-Y17 HydrophobicContact CB-CE2 4.14Å; K15-D53 PolarHBondContact N-OD1 2.91Å; K15-D53 WeakPolarHBondContact O-CB 3.45Å; K15-Y54 PolarHBondContact O-N 3.27Å; K15-E139 IonicContact NZ-OE1 3.77Å; K15-E139 PolarHBondContact NZ-OE1 3.35Å; K15-E139 IonicContact NZ-OE2 2.83Å; K15-E139 PolarHBondContact NZ-OE2 3.19Å
16W96.7Very high91.1Very high35 Ų3564.8 Ų64.813%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-109.3128.8169.9-74.479000108.5Y54 I56 F124 H133 Q136 P138 E139W16-Y54 VanDerWaalsContact CD2-CB 3.48Å; W16-Y54 HydrophobicContact CD2-CD2 4.25Å; W16-Y54 AromaticContact CD2-CG 3.94Å; W16-Y54 HydrophobicContact CD2-CG 3.94Å; W16-Y54 AromaticContact CE2-CD2 3.74Å; W16-Y54 AromaticContact CE2-CG 3.67Å; W16-Y54 HydrophobicContact CE3-CG 4.29Å; W16-Y54 HydrophobicContact CG-CD2 4.48Å; W16-Y54 HydrophobicContact CG-CG 4.49Å; W16-Y54 HydrophobicContact CH2-CD1 4.08Å; W16-Y54 HydrophobicContact CH2-CG 4.2Å; W16-Y54 AromaticContact CZ2-CD1 3.95Å; W16-Y54 HydrophobicContact CZ2-CD1 3.95Å; W16-Y54 HydrophobicContact CZ2-CD2 4.11Å; W16-Y54 HydrophobicContact CZ2-CE1 4.33Å; W16-Y54 AromaticContact CZ2-CG 3.82Å; W16-Y54 HydrophobicContact CZ2-CG 3.82Å; W16-Y54 HydrophobicContact CZ3-CG 4.42Å; W16-Y54 AromaticContact NE1-CD2 3.68Å; W16-I56 HydrophobicContact CE3-CD1 3.76Å; W16-I56 HydrophobicContact CE3-CG1 4.02Å; W16-I56 HydrophobicContact CZ3-CD1 4.04Å; W16-I56 HydrophobicContact CZ3-CG1 4.15Å; W16-F124 HydrophobicContact CH2-CD2 4.12Å; W16-F124 AromaticContact CH2-CE2 3.42Å; W16-F124 HydrophobicContact CH2-CE2 3.42Å; W16-F124 VanDerWaalsContact CH2-CE2 3.42Å; W16-F124 AromaticContact CH2-CZ 3.99Å; W16-F124 HydrophobicContact CH2-CZ 3.99Å; W16-F124 AromaticContact CZ3-CD2 3.65Å; W16-F124 HydrophobicContact CZ3-CD2 3.65Å; W16-F124 AromaticContact CZ3-CE2 3.44Å; W16-F124 HydrophobicContact CZ3-CE2 3.44Å; W16-F124 VanDerWaalsContact CZ3-CE2 3.44Å; W16-F124 HydrophobicContact CZ3-CZ 4.36Å; W16-H133 HydrophobicContact CZ3-CB 4.23Å; W16-H133 AromaticContact CZ3-CG 3.98Å; W16-Q136 HydrophobicContact CD2-CB 3.77Å; W16-Q136 HydrophobicContact CD2-CG 4.09Å; W16-Q136 HydrophobicContact CE3-CB 4.35Å; W16-Q136 HydrophobicContact CG-CB 3.85Å; W16-Q136 HydrophobicContact CH2-CG 4.21Å; W16-Q136 HydrophobicContact CZ2-CB 4.37Å; W16-Q136 HydrophobicContact CZ2-CG 3.76Å; W16-P138 HydrophobicContact CB-CB 3.93Å; W16-P138 WeakPolarHBondContact O-CA 3.4Å; W16-E139 PolarHBondContact O-N 3.31Å
17Y96Very high91.4Very high28 Ų2861 Ų6111%0.1133%0.325CS..EExtended strand (participates in β ladder)trans-115.4142.7175.2-65.7-65.1000111.2K15 I36 D53 Y54 I56 E139 Y141K15-Y17 HydrophobicContact CB-CE2 4.14Å; Y17-I36 HydrophobicContact CD2-CG2 3.87Å; Y17-I36 HydrophobicContact CE2-CG2 4.16Å; Y17-D53 HydrophobicContact CD2-CB 3.89Å; Y17-D53 HydrophobicContact CE2-CB 3.75Å; Y17-D53 WeakPolarHBondContact CE2-OD2 3.37Å; Y17-Y54 PolarHBondContact N-O 3.44Å; Y17-I56 PolarHBondContact O-N 3.49Å; Y17-E139 CarbonylContact C-O 3.52Å; Y17-E139 VanDerWaalsContact CA-O 3.23Å; Y17-E139 WeakPolarHBondContact CA-O 3.37Å; Y17-E139 HydrophobicContact CD1-CB 4.14Å; Y17-E139 HydrophobicContact CE1-CB 4.29Å; Y17-Y141 AromaticContact CD1-CD2 3.92Å; Y17-Y141 HydrophobicContact CD1-CD2 3.92Å; Y17-Y141 HydrophobicContact CD1-CG 4.29Å; Y17-Y141 HydrophobicContact CE1-CD2 4.01Å; Y17-Y141 HydrophobicContact CG-CD2 4.28Å; Y17-Y141 HydrophobicContact CG-CG 4.44Å
18V96.2Very high91.8Very high10 Ų1068 Ų686%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-110.7129.3168.7169.30000108.8I56 I58 H131 P138 E139 Y141V18-I56 CarbonylContact C-O 3.02Å; V18-I56 WeakPolarHBondContact CA-O 3.37Å; V18-I56 HydrophobicContact CG2-CB 3.95Å; V18-I56 HydrophobicContact CG2-CD1 4.02Å; V18-I56 HydrophobicContact CG2-CG2 4.35Å; V18-I58 HydrophobicContact CG1-CD1 4.05Å; V18-I58 HydrophobicContact CG1-CG1 4.32Å; V18-I58 HydrophobicContact CG1-CG2 4.41Å; V18-H131 VanDerWaalsContact CG2-NE2 3.29Å; V18-H131 WeakPolarHBondContact CG2-NE2 3.44Å; V18-P138 HydrophobicContact CB-CB 4.5Å; V18-P138 HydrophobicContact CG2-CB 3.48Å; V18-P138 VanDerWaalsContact CG2-CB 3.48Å; V18-P138 HydrophobicContact CG2-CG 3.7Å; V18-E139 PolarHBondContact N-O 3.13Å; V18-Y141 PolarHBondContact O-N 3.36Å
19I95.7Very high92.3Very high2 Ų263.8 Ų63.81%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-124126.9179.6-63.7171.1000108.2L29 V33 I36 V55 I56 V57 I58 Y141 L143I19-L29 HydrophobicContact CG2-CD1 4.14Å; I19-L29 HydrophobicContact CG2-CG 4.49Å; I19-V33 HydrophobicContact CD1-CG2 3.65Å; I19-I36 HydrophobicContact CD1-CD1 4.24Å; I19-V55 HydrophobicContact CD1-CG1 3.68Å; I19-V55 HydrophobicContact CG1-CG1 4.37Å; I19-I56 PolarHBondContact N-O 2.84Å; I19-V57 WeakPolarHBondContact O-CA 3.26Å; I19-I58 PolarHBondContact O-N 3.35Å; I19-Y141 HydrophobicContact CD1-CD1 4.09Å; I19-Y141 HydrophobicContact CG1-CD1 4.2Å; I19-L143 HydrophobicContact CG2-CD1 4.23Å; I19-L143 HydrophobicContact CG2-CD2 4.25Å; I19-L143 HydrophobicContact CG2-CG 4.21Å
20D95.6Very high92.9Very high71 Ų7155.9 Ų55.938%0.3829%0.292SS..EExtended strand (participates in β ladder)trans-83.2125172.2-164.6-8000110.5E22 I58 N59D20-E22 WeakPolarHBondContact OD1-CB 3.41Å; D20-E22 PolarHBondContact OD1-N 2.98Å; D20-I58 HydrophobicContact CB-CD1 4.42Å; D20-I58 HydrophobicContact CB-CG1 4.25Å; D20-N59 WeakPolarHBondContact OD1-CB 3.33Å; D20-N59 PolarHBondContact OD1-ND2 3.45Å; D20-N59 PolarHBondContact OD2-ND2 2.9Å
21A94.8Very high93.5Very high0 Ų054.1 Ų54.10%028%0.28CS..  trans-87.2-7.3177.200000113.6G23 Q24 L29 V57 I58 I63 I102A21-G23 PolarHBondContact O-N 2.84Å; A21-Q24 WeakPolarHBondContact O-CB 3.23Å; A21-Q24 PolarHBondContact O-N 3.4Å; A21-Q24 VanDerWaalsContact O-N 3.13Å; A21-L29 HydrophobicContact CB-CD1 3.78Å; A21-V57 HydrophobicContact CB-CG1 3.85Å; A21-I58 WeakPolarHBondContact CB-O 3.45Å; A21-I58 PolarHBondContact N-O 3.28Å; A21-I63 HydrophobicContact CB-CD1 3.86Å; A21-I102 HydrophobicContact CB-CD1 4.19Å
22E94.2Very high94.1Very high92 Ų9251.2 Ų51.243%0.4326%0.263SS..THydrogen-bonded Turntrans-60125.2-179.5-176.5158.9-16300111.8D20 Q24 N59 K62D20-E22 WeakPolarHBondContact OD1-CB 3.41Å; D20-E22 PolarHBondContact OD1-N 2.98Å; E22-Q24 PolarHBondContact O-N 2.77Å; E22-Q24 VanDerWaalsContact O-N 3.15Å; E22-N59 HydrophobicContact CB-CB 4.29Å; E22-K62 HydrophobicContact CB-CB 4.27Å; E22-K62 HydrophobicContact CB-CD 4.17Å; E22-K62 HydrophobicContact CG-CB 4.22Å; E22-K62 HydrophobicContact CG-CD 3.74Å; E22-K62 WeakPolarHBondContact OE1-CD 3.46Å; E22-K62 IonicContact OE1-NZ 2.79Å; E22-K62 PolarHBondContact OE1-NZ 3.2Å; E22-K62 WeakPolarHBondContact OE2-CD 3.44Å; E22-K62 IonicContact OE2-NZ 2.72Å; E22-K62 PolarHBondContact OE2-NZ 2.85Å
23G91.8Very high94.5Very high52 Ų5249.8 Ų49.854%0.53626%0.255SS..THydrogen-bonded Turntrans72.6-0.1-179.600000114.9A21 K62A21-G23 PolarHBondContact O-N 2.84Å; G23-K62 PolarHBondContact N-O 3.43Å
24Q93.5Very high94.9Very high69 Ų6941.8 Ų41.832%0.32222%0.218SC..  trans-86.8142-178.2-63.5-62.9-19.300112A21 E22 L29 I63 E64 L143A21-Q24 WeakPolarHBondContact O-CB 3.23Å; A21-Q24 PolarHBondContact O-N 3.4Å; A21-Q24 VanDerWaalsContact O-N 3.13Å; E22-Q24 PolarHBondContact O-N 2.77Å; E22-Q24 VanDerWaalsContact O-N 3.15Å; Q24-L29 HydrophobicContact CB-CB 4.28Å; Q24-L29 HydrophobicContact CB-CD1 3.86Å; Q24-L29 HydrophobicContact CG-CD1 4.23Å; Q24-I63 HydrophobicContact CB-CD1 4.23Å; Q24-I63 VanDerWaalsContact O-CD1 3.29Å; Q24-I63 WeakPolarHBondContact O-CD1 3.29Å; Q24-I63 WeakPolarHBondContact O-CG1 3.41Å; Q24-E64 PolarHBondContact O-N 2.83Å; Q24-L143 HydrophobicContact CB-CD1 4.42Å; Q24-L143 HydrophobicContact CG-CD1 3.78Å
25T94.4Very high95Very high42 Ų4238.8 Ų38.826%0.25821%0.212SC..BIsolated β-bridgetrans-76.8125.9173.4-58.10000110.2G27 R28 L29 T66T25-G27 VanDerWaalsContact C-N 3.29Å; T25-G27 PolarHBondContact O-N 3.22Å; T25-R28 PolarHBondContact O-N 2.88Å; T25-L29 PolarHBondContact O-N 2.78Å; T25-L29 VanDerWaalsContact O-N 3.14Å; T25-T66 HydrophobicContact CG2-CG2 4.21Å
26L93.9Very high95.1Very high8 Ų834.9 Ų34.94%0.04220%0.195CC..Hα-helixtrans-42.8-50.1-175.8-179.868.1000114.1S30 I63 E64 F65 L101 I102L26-S30 VanDerWaalsContact O-CB 3.24Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.83Å; L26-S30 PolarHBondContact O-OG 2.81Å; L26-I63 HydrophobicContact CB-CG1 3.95Å; L26-I63 HydrophobicContact CD1-CG1 4.1Å; L26-E64 PolarHBondContact N-O 2.89Å; L26-F65 HydrophobicContact CD2-CE1 3.76Å; L26-F65 HydrophobicContact CD2-CZ 4.44Å; L26-L101 HydrophobicContact CD1-CG 4.37Å; L26-L101 HydrophobicContact CD2-CD1 4.18Å; L26-L101 HydrophobicContact CD2-CG 4.3Å; L26-I102 HydrophobicContact CD1-CG1 3.98Å
27G94Very high95Very high37 Ų3733.2 Ų33.238%0.38119%0.189SC..Hα-helixtrans-68.6-38.5-176.200000114.1T25 S30 S31T25-G27 VanDerWaalsContact C-N 3.29Å; T25-G27 PolarHBondContact O-N 3.22Å; G27-S30 PolarHBondContact O-N 3.42Å; G27-S31 WeakPolarHBondContact O-CB 3.47Å; G27-S31 PolarHBondContact O-N 3.13Å; G27-S31 VanDerWaalsContact O-N 3.08Å
28R93.6Very high95Very high150 Ų15034.2 Ų34.257%0.56619%0.192SC*.Hα-helixtrans-68.4-49.9-179.5-70-177.9176.2-110.54.6110.4T25 S30 S31 E32 G145T25-R28 PolarHBondContact O-N 2.88Å; R28-S30 VanDerWaalsContact C-N 3.32Å; R28-S30 PolarHBondContact O-N 3.46Å; R28-S31 PolarHBondContact O-N 2.87Å; R28-E32 PolarHBondContact O-N 3.03Å; R28-G145 WeakPolarHBondContact CD-OXT 3.4Å; R28-G145 PolarHBondContact NH1-OXT 3.29Å
29L95.4Very high94.9Very high0 Ų033.8 Ų33.80%019%0.19CC..Hα-helixtrans-55.3-48.6173.3-179.2150.6000110.9I19 A21 Q24 T25 S31 E32 V33 I63 I106 L143I19-L29 HydrophobicContact CG2-CD1 4.14Å; I19-L29 HydrophobicContact CG2-CG 4.49Å; A21-L29 HydrophobicContact CB-CD1 3.78Å; Q24-L29 HydrophobicContact CB-CB 4.28Å; Q24-L29 HydrophobicContact CB-CD1 3.86Å; Q24-L29 HydrophobicContact CG-CD1 4.23Å; T25-L29 PolarHBondContact O-N 2.78Å; T25-L29 VanDerWaalsContact O-N 3.14Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 2.9Å; L29-E32 PolarHBondContact O-N 3.15Å; L29-V33 HydrophobicContact CD2-CG2 3.93Å; L29-V33 HydrophobicContact CG-CG2 4.3Å; L29-V33 VanDerWaalsContact O-CG2 3.24Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 2.94Å; L29-I63 HydrophobicContact CD1-CD1 3.99Å; L29-I106 HydrophobicContact CD2-CD1 4.5Å; L29-L143 HydrophobicContact CB-CD1 4.11Å; L29-L143 HydrophobicContact CD1-CD1 4.17Å; L29-L143 HydrophobicContact CG-CD1 4.14Å
30S95.8Very high94.8Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-63.8-36.8-175.4-60.10000113.3L26 G27 R28 A34 S105L26-S30 VanDerWaalsContact O-CB 3.24Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.83Å; L26-S30 PolarHBondContact O-OG 2.81Å; G27-S30 PolarHBondContact O-N 3.42Å; R28-S30 VanDerWaalsContact C-N 3.32Å; R28-S30 PolarHBondContact O-N 3.46Å; S30-A34 VanDerWaalsContact O-CB 3.24Å; S30-A34 WeakPolarHBondContact O-CB 3.37Å; S30-A34 PolarHBondContact O-N 2.85Å; S30-S105 WeakPolarHBondContact CB-OG 3.49Å; S30-S105 WeakPolarHBondContact OG-CB 3.21Å; S30-S105 PolarHBondContact OG-OG 2.98Å
31S95.6Very high94.5Very high65 Ų6539.1 Ų39.146%0.45521%0.213SC..Hα-helixtrans-64.5-44.5179.7-178.40000112.2G27 R28 L29 S35G27-S31 WeakPolarHBondContact O-CB 3.47Å; G27-S31 PolarHBondContact O-N 3.13Å; G27-S31 VanDerWaalsContact O-N 3.08Å; R28-S31 PolarHBondContact O-N 2.87Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 2.9Å; S31-S35 PolarHBondContact O-N 3.43Å; S31-S35 PolarHBondContact O-OG 3.31Å
32E95.4Very high94.4Very high33 Ų3341.4 Ų41.415%0.15422%0.223CC..Hα-helixtrans-67.7-47.2177.2-71.6-162-163.900111.2R28 L29 A34 S35 I36 L143 R144 G145R28-E32 PolarHBondContact O-N 3.03Å; L29-E32 PolarHBondContact O-N 3.15Å; E32-A34 VanDerWaalsContact C-N 3.33Å; E32-A34 PolarHBondContact O-N 3.06Å; E32-S35 WeakPolarHBondContact O-CA 3.37Å; E32-S35 WeakPolarHBondContact O-CB 3.4Å; E32-S35 PolarHBondContact O-N 3.26Å; E32-I36 WeakPolarHBondContact O-CG1 3.1Å; E32-I36 PolarHBondContact O-N 2.98Å; E32-L143 HydrophobicContact CB-CD2 3.77Å; E32-L143 HydrophobicContact CG-CD2 4.29Å; E32-L143 VanDerWaalsContact OE2-CA 3.28Å; E32-L143 WeakPolarHBondContact OE2-CA 3.44Å; E32-L143 VanDerWaalsContact OE2-CD2 3.28Å; E32-L143 WeakPolarHBondContact OE2-CD2 3.31Å; E32-R144 VanDerWaalsContact CD-N 3.34Å; E32-R144 WeakPolarHBondContact OE1-CA 3.35Å; E32-R144 PolarHBondContact OE1-N 3.03Å; E32-R144 PolarHBondContact OE2-N 3.24Å; E32-G145 PolarHBondContact OE1-N 3.43Å
33V96.4Very high94.3Very high0 Ų044.4 Ų44.40%025%0.247CC..Hα-helixtrans-58.3-45.2177.9176.10000111.3I19 L29 S35 I36 L37 V55 V57 I106 L123I19-V33 HydrophobicContact CD1-CG2 3.65Å; L29-V33 HydrophobicContact CD2-CG2 3.93Å; L29-V33 HydrophobicContact CG-CG2 4.3Å; L29-V33 VanDerWaalsContact O-CG2 3.24Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 2.94Å; V33-S35 PolarHBondContact O-N 2.89Å; V33-I36 PolarHBondContact O-N 2.68Å; V33-L37 HydrophobicContact CG1-CD1 3.85Å; V33-L37 HydrophobicContact CG1-CG 4.18Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.42Å; V33-V55 HydrophobicContact CG1-CB 4.15Å; V33-V55 HydrophobicContact CG1-CG1 3.76Å; V33-V55 HydrophobicContact CG1-CG2 4.34Å; V33-V55 HydrophobicContact CG2-CG1 4.26Å; V33-V57 HydrophobicContact CG2-CG2 4.49Å; V33-I106 HydrophobicContact CB-CD1 3.98Å; V33-I106 HydrophobicContact CB-CG1 4.42Å; V33-I106 HydrophobicContact CG1-CD1 3.65Å; V33-I106 HydrophobicContact CG1-CG1 4.36Å; V33-I106 HydrophobicContact CG1-CG2 4.13Å; V33-I106 HydrophobicContact CG2-CD1 4.46Å; V33-L123 HydrophobicContact CG1-CD1 3.87Å
34A96.4Very high94.3Very high0 Ų044.8 Ų44.80%024%0.239CC..Hα-helixtrans-63.6-24176.600000113.3S30 E32 R38 I106 M109 L110S30-A34 VanDerWaalsContact O-CB 3.24Å; S30-A34 WeakPolarHBondContact O-CB 3.37Å; S30-A34 PolarHBondContact O-N 2.85Å; E32-A34 VanDerWaalsContact C-N 3.33Å; E32-A34 PolarHBondContact O-N 3.06Å; A34-R38 WeakPolarHBondContact O-CG 3.48Å; A34-R38 PolarHBondContact O-N 2.95Å; A34-R38 PolarHBondContact O-NE 3.36Å; A34-I106 HydrophobicContact CB-CG2 4.34Å; A34-M109 HydrophobicContact CB-CB 3.77Å; A34-L110 HydrophobicContact CB-CD2 4.29Å
35S95.3Very high94.3Very high34 Ų3445.9 Ų45.924%0.23824%0.241CC..Hα-helixtrans-79.5-38175.8-60.80000111.8S31 E32 V33 R38 G39 K40S31-S35 PolarHBondContact O-N 3.43Å; S31-S35 PolarHBondContact O-OG 3.31Å; E32-S35 WeakPolarHBondContact O-CA 3.37Å; E32-S35 WeakPolarHBondContact O-CB 3.4Å; E32-S35 PolarHBondContact O-N 3.26Å; V33-S35 PolarHBondContact O-N 2.89Å; S35-R38 PolarHBondContact O-N 3.44Å; S35-G39 PolarHBondContact O-N 3.29Å; S35-K40 PolarHBondContact O-N 2.98Å
36I95.7Very high94.2Very high4 Ų444.2 Ų44.22%0.02123%0.231CC..Hα-helixtrans-66.4-46.7173.7-62166.8000110.8Y17 I19 E32 V33 R38 G39 D53 V55 Y141Y17-I36 HydrophobicContact CD2-CG2 3.87Å; Y17-I36 HydrophobicContact CE2-CG2 4.16Å; I19-I36 HydrophobicContact CD1-CD1 4.24Å; E32-I36 WeakPolarHBondContact O-CG1 3.1Å; E32-I36 PolarHBondContact O-N 2.98Å; V33-I36 PolarHBondContact O-N 2.68Å; I36-R38 PolarHBondContact O-N 3.25Å; I36-G39 PolarHBondContact O-N 3.08Å; I36-D53 HydrophobicContact CG2-CB 4Å; I36-D53 PolarHBondContact O-N 3.05Å; I36-V55 HydrophobicContact CB-CG2 4.15Å; I36-V55 HydrophobicContact CG2-CG2 3.61Å; I36-Y141 HydrophobicContact CD1-CD1 3.89Å; I36-Y141 HydrophobicContact CD1-CD2 4.47Å; I36-Y141 HydrophobicContact CD1-CE1 3.6Å; I36-Y141 HydrophobicContact CD1-CE2 4.21Å; I36-Y141 HydrophobicContact CD1-CG 4.32Å
37L96.1Very high94.1Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-60.5-27.6177.3-70.8171.9000113V33 G52 V55 I106 L110 K122 L123V33-L37 HydrophobicContact CG1-CD1 3.85Å; V33-L37 HydrophobicContact CG1-CG 4.18Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 WeakPolarHBondContact O-CG 3.41Å; V33-L37 PolarHBondContact O-N 3.42Å; L37-G52 WeakPolarHBondContact O-CA 3.29Å; L37-V55 HydrophobicContact CD2-CB 4.16Å; L37-V55 HydrophobicContact CD2-CG2 3.93Å; L37-V55 HydrophobicContact CG-CG2 4.16Å; L37-I106 HydrophobicContact CD1-CG2 3.61Å; L37-L110 HydrophobicContact CB-CD2 4.29Å; L37-L110 HydrophobicContact CD1-CD1 4.42Å; L37-K122 HydrophobicContact CD2-CB 3.89Å; L37-L123 HydrophobicContact CD1-CB 4.03Å; L37-L123 HydrophobicContact CD1-CD1 4.36Å; L37-L123 HydrophobicContact CD2-CB 4.36Å
38R94.9Very high94Very high50 Ų5052.4 Ų52.419%0.18927%0.266CS..Hα-helixtrans-83.7-15.5173.3-77.9-175.3-67.2-174.7-1.6113.8A34 S35 I36 K40 L110A34-R38 WeakPolarHBondContact O-CG 3.48Å; A34-R38 PolarHBondContact O-N 2.95Å; A34-R38 PolarHBondContact O-NE 3.36Å; S35-R38 PolarHBondContact O-N 3.44Å; I36-R38 PolarHBondContact O-N 3.25Å; R38-K40 HydrophobicContact CB-CG 4.21Å; R38-L110 HydrophobicContact CG-CD2 3.86Å
39G94.4Very high94Very high0 Ų046.1 Ų46.10%024%0.244CC..THydrogen-bonded Turntrans78.418.2-175.100000114.3S35 I36 N41 K42S35-G39 PolarHBondContact O-N 3.29Å; I36-G39 PolarHBondContact O-N 3.08Å; G39-N41 PolarHBondContact O-N 2.74Å; G39-K42 PolarHBondContact O-N 2.67Å
40K93Very high93.9Very high113 Ų11347 Ų4749%0.49125%0.25SC..THydrogen-bonded Turntrans-66.1-16.6-178.8-75.4-167.3171.9-168.70113.9S35 R38 K42 Y45S35-K40 PolarHBondContact O-N 2.98Å; R38-K40 HydrophobicContact CB-CG 4.21Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-Y45 HydrophobicContact CG-CE2 4.35Å
41N91.2Very high93.7Very high73 Ų7347.1 Ų47.139%0.3925%0.25SC..THydrogen-bonded Turntrans-75.5-15173.459-20.4000113G39G39-N41 PolarHBondContact O-N 2.74Å
42K91.4Very high93.7Very high47 Ų4744 Ų4420%0.20423%0.228CC..SBendtrans-99.2140.4-179.3-65.6-179.5-176.1167.70111.7E13 G39 K40 T44 Y45 T51 D53E13-K42 PolarHBondContact O-NZ 3.06Å; G39-K42 PolarHBondContact O-N 2.67Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K42-T44 PolarHBondContact O-N 2.9Å; K42-Y45 WeakPolarHBondContact O-CB 3.28Å; K42-Y45 PolarHBondContact O-N 2.97Å; K42-T51 PolarHBondContact NZ-O 2.81Å; K42-D53 WeakPolarHBondContact CE-OD1 3.45Å; K42-D53 WeakPolarHBondContact CE-OD2 3.44Å; K42-D53 VanDerWaalsContact NZ-CG 3.32Å; K42-D53 IonicContact NZ-OD1 2.79Å; K42-D53 PolarHBondContact NZ-OD1 3.21Å; K42-D53 IonicContact NZ-OD2 3.51Å; K42-D53 PolarHBondContact NZ-OD2 3.2Å
43V92.1Very high93.7Very high156 Ų15642.4 Ų42.495%0.94522%0.221SC*.THydrogen-bonded Turntrans-65.5-24.7175.8-165.70000111.8Y45V43-Y45 PolarHBondContact O-N 3.33Å
44T91.4Very high93.7Very high60 Ų6045.1 Ų45.137%0.36823%0.231SC..THydrogen-bonded Turntrans-81.39178.854.50000113.8F5 A7 K42 T46F5-T44 HydrophobicContact CD1-CG2 4.43Å; F5-T44 HydrophobicContact CE1-CG2 3.71Å; F5-T44 HydrophobicContact CZ-CG2 4.38Å; A7-T44 WeakPolarHBondContact CB-O 3.5Å; K42-T44 PolarHBondContact O-N 2.9Å; T44-T46 PolarHBondContact O-N 2.93Å; T44-T46 PolarHBondContact O-OG1 2.99Å
45Y93.8Very high93.8Very high92 Ų9245.1 Ų45.136%0.36123%0.231SC..  trans-53.7122.5-179.6172.1-102.5000111.7K40 K42 V43 P47K40-Y45 HydrophobicContact CG-CE2 4.35Å; K42-Y45 WeakPolarHBondContact O-CB 3.28Å; K42-Y45 PolarHBondContact O-N 2.97Å; V43-Y45 PolarHBondContact O-N 3.33Å; Y45-P47 HydrophobicContact CE1-CB 4.45Å; Y45-P47 HydrophobicContact CE1-CG 3.85Å
46T92.4Very high93.8Very high7 Ų743.5 Ų43.54%0.04322%0.22CC..  trans-127.7118.7177.6-60.10000108.2A7 T44 H48 V49A7-T46 WeakPolarHBondContact CB-OG1 3.29Å; A7-T46 PolarHBondContact N-OG1 3.15Å; T44-T46 PolarHBondContact O-N 2.93Å; T44-T46 PolarHBondContact O-OG1 2.99Å; T46-H48 VanDerWaalsContact C-N 3.26Å; T46-H48 WeakPolarHBondContact CG2-CE1 3.39Å; T46-H48 WeakPolarHBondContact CG2-ND1 3.28Å; T46-H48 PolarHBondContact O-N 3.06Å; T46-H48 VanDerWaalsContact O-N 3.1Å; T46-V49 HydrophobicContact CG2-CB 4.28Å; T46-V49 HydrophobicContact CG2-CG2 3.91Å; T46-V49 PolarHBondContact O-N 2.73Å
47P92.5Very high93.9Very high89 Ų8943.3 Ų43.358%0.57822%0.219SC*.THydrogen-bonded Turntrans-59.7-28.6-167.3-26.632.2000116.2Y45 L115Y45-P47 HydrophobicContact CE1-CB 4.45Å; Y45-P47 HydrophobicContact CE1-CG 3.85Å; P47-L115 WeakPolarHBondContact O-CD2 3.24Å
48H91.6Very high93.9Very high128 Ų12844.3 Ų44.359%0.59322%0.224SC*.THydrogen-bonded Turntrans-93.7-1.3-177.963.5-86000113.1T46T46-H48 VanDerWaalsContact C-N 3.26Å; T46-H48 WeakPolarHBondContact CG2-CE1 3.39Å; T46-H48 WeakPolarHBondContact CG2-ND1 3.28Å; T46-H48 PolarHBondContact O-N 3.06Å; T46-H48 VanDerWaalsContact O-N 3.1Å
49V92.3Very high93.9Very high17 Ų1742.6 Ų42.610%0.10322%0.219CC..SBendtrans-122.6139.4-175.1-174.60000110.5A7 I12 T46 T51A7-V49 WeakPolarHBondContact O-CG2 3.36Å; I12-V49 HydrophobicContact CD1-CG1 3.43Å; I12-V49 VanDerWaalsContact CD1-CG1 3.43Å; T46-V49 HydrophobicContact CG2-CB 4.28Å; T46-V49 HydrophobicContact CG2-CG2 3.91Å; T46-V49 PolarHBondContact O-N 2.73Å; V49-T51 HydrophobicContact CG1-CG2 4.35Å; V49-T51 PolarHBondContact O-N 3.14Å
50D93.3Very high93.9Very high20 Ų2042.6 Ų42.611%0.10722%0.219CC..  trans-80.784.3-178.7-172.59.3000112.6R14 L115 Q119 K122R14-D50 PolarHBondContact NH2-O 3.49Å; R14-D50 VanDerWaalsContact NH2-O 3.09Å; R14-D50 IonicContact NH2-OD2 2.72Å; D50-L115 HydrophobicContact CB-CD1 3.79Å; D50-Q119 WeakPolarHBondContact OD1-CG 3.49Å; D50-K122 IonicContact OD1-NZ 2.67Å; D50-K122 PolarHBondContact OD1-NZ 3.32Å; D50-K122 WeakPolarHBondContact OD2-CE 3.49Å; D50-K122 IonicContact OD2-NZ 2.73Å; D50-K122 PolarHBondContact OD2-NZ 2.86Å
51T93.6Very high93.9Very high1 Ų139.6 Ų39.61%0.00621%0.212CC..  trans-92.2-3.4-178.551.70000114.3A7 I12 K42 V49A7-T51 HydrophobicContact CB-CG2 3.87Å; I12-T51 HydrophobicContact CD1-CG2 4.07Å; I12-T51 HydrophobicContact CG1-CG2 4.2Å; K42-T51 PolarHBondContact NZ-O 2.81Å; V49-T51 HydrophobicContact CG1-CG2 4.35Å; V49-T51 PolarHBondContact O-N 3.14Å
52G94.2Very high94.1Very high0 Ų040.3 Ų40.30%021%0.212CC..PPolyproline II helixtrans-73.7159.6-176.400000114.7L37 K122L37-G52 WeakPolarHBondContact O-CA 3.29Å; G52-K122 PolarHBondContact O-NZ 3Å
53D95.8Very high94.2Very high0 Ų038 Ų380%020%0.202CC..PPolyproline II helixtrans-91.6168.6-179-67.1-47.9000112.3R14 K15 Y17 I36 K42R14-D53 WeakPolarHBondContact CA-OD1 3.29Å; K15-D53 PolarHBondContact N-OD1 2.91Å; K15-D53 WeakPolarHBondContact O-CB 3.45Å; Y17-D53 HydrophobicContact CD2-CB 3.89Å; Y17-D53 HydrophobicContact CE2-CB 3.75Å; Y17-D53 WeakPolarHBondContact CE2-OD2 3.37Å; I36-D53 HydrophobicContact CG2-CB 4Å; I36-D53 PolarHBondContact O-N 3.05Å; K42-D53 WeakPolarHBondContact CE-OD1 3.45Å; K42-D53 WeakPolarHBondContact CE-OD2 3.44Å; K42-D53 VanDerWaalsContact NZ-CG 3.32Å; K42-D53 IonicContact NZ-OD1 2.79Å; K42-D53 PolarHBondContact NZ-OD1 3.21Å; K42-D53 IonicContact NZ-OD2 3.51Å; K42-D53 PolarHBondContact NZ-OD2 3.2Å
54Y97Very high94.3Very high56 Ų5635 Ų3522%0.2218%0.178CC..EExtended strand (participates in β ladder)trans-85.1138.9171.4-66-85.9000109.8R14 K15 W16 Y17 K122 F124R14-Y54 HydrophobicContact CB-CD2 4.11Å; R14-Y54 HydrophobicContact CB-CE2 3.95Å; R14-Y54 HydrophobicContact CG-CE2 4.47Å; K15-Y54 PolarHBondContact O-N 3.27Å; W16-Y54 VanDerWaalsContact CD2-CB 3.48Å; W16-Y54 HydrophobicContact CD2-CD2 4.25Å; W16-Y54 AromaticContact CD2-CG 3.94Å; W16-Y54 HydrophobicContact CD2-CG 3.94Å; W16-Y54 AromaticContact CE2-CD2 3.74Å; W16-Y54 AromaticContact CE2-CG 3.67Å; W16-Y54 HydrophobicContact CE3-CG 4.29Å; W16-Y54 HydrophobicContact CG-CD2 4.48Å; W16-Y54 HydrophobicContact CG-CG 4.49Å; W16-Y54 HydrophobicContact CH2-CD1 4.08Å; W16-Y54 HydrophobicContact CH2-CG 4.2Å; W16-Y54 AromaticContact CZ2-CD1 3.95Å; W16-Y54 HydrophobicContact CZ2-CD1 3.95Å; W16-Y54 HydrophobicContact CZ2-CD2 4.11Å; W16-Y54 HydrophobicContact CZ2-CE1 4.33Å; W16-Y54 AromaticContact CZ2-CG 3.82Å; W16-Y54 HydrophobicContact CZ2-CG 3.82Å; W16-Y54 HydrophobicContact CZ3-CG 4.42Å; W16-Y54 AromaticContact NE1-CD2 3.68Å; Y17-Y54 PolarHBondContact N-O 3.44Å; Y54-K122 HydrophobicContact CD1-CB 3.58Å; Y54-K122 HydrophobicContact CD1-CD 4.31Å; Y54-K122 HydrophobicContact CD1-CG 3.8Å; Y54-K122 HydrophobicContact CE1-CB 3.93Å; Y54-K122 HydrophobicContact CE1-CD 4.17Å; Y54-K122 HydrophobicContact CE1-CG 3.61Å; Y54-K122 HydrophobicContact CG-CB 4.34Å; Y54-F124 AromaticContact CD1-CE2 3.9Å; Y54-F124 HydrophobicContact CD1-CE2 3.9Å
55V97.1Very high94.4Very high0 Ų033.3 Ų33.30%017%0.165CC..EExtended strand (participates in β ladder)trans-128.8125.6-178.9-177.50000109.5I19 V33 I36 L37 V57 K122 L123 F124I19-V55 HydrophobicContact CD1-CG1 3.68Å; I19-V55 HydrophobicContact CG1-CG1 4.37Å; V33-V55 HydrophobicContact CG1-CB 4.15Å; V33-V55 HydrophobicContact CG1-CG1 3.76Å; V33-V55 HydrophobicContact CG1-CG2 4.34Å; V33-V55 HydrophobicContact CG2-CG1 4.26Å; I36-V55 HydrophobicContact CB-CG2 4.15Å; I36-V55 HydrophobicContact CG2-CG2 3.61Å; L37-V55 HydrophobicContact CD2-CB 4.16Å; L37-V55 HydrophobicContact CD2-CG2 3.93Å; L37-V55 HydrophobicContact CG-CG2 4.16Å; V55-V57 HydrophobicContact CG1-CG2 4.18Å; V55-K122 PolarHBondContact N-O 3.31Å; V55-L123 HydrophobicContact CB-CD1 4.45Å; V55-L123 HydrophobicContact CG1-CD1 4.49Å; V55-L123 WeakPolarHBondContact O-CA 3.39Å; V55-F124 PolarHBondContact O-N 3.08Å
56I96.9Very high94.3Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-105.8124.6171.4-57.5169.9000107.5W16 Y17 V18 I19 I58 F124 Y126 H131 H133 P138W16-I56 HydrophobicContact CE3-CD1 3.76Å; W16-I56 HydrophobicContact CE3-CG1 4.02Å; W16-I56 HydrophobicContact CZ3-CD1 4.04Å; W16-I56 HydrophobicContact CZ3-CG1 4.15Å; Y17-I56 PolarHBondContact O-N 3.49Å; V18-I56 CarbonylContact C-O 3.02Å; V18-I56 WeakPolarHBondContact CA-O 3.37Å; V18-I56 HydrophobicContact CG2-CB 3.95Å; V18-I56 HydrophobicContact CG2-CD1 4.02Å; V18-I56 HydrophobicContact CG2-CG2 4.35Å; I19-I56 PolarHBondContact N-O 2.84Å; I56-I58 HydrophobicContact CG2-CG2 4.14Å; I56-F124 CarbonylContact C-O 3.58Å; I56-F124 VanDerWaalsContact CA-O 3.29Å; I56-F124 WeakPolarHBondContact CA-O 3.46Å; I56-F124 HydrophobicContact CG1-CB 4.24Å; I56-F124 HydrophobicContact CG1-CD2 4.37Å; I56-Y126 HydrophobicContact CG2-CD2 3.83Å; I56-Y126 HydrophobicContact CG2-CE2 3.92Å; I56-H131 HydrophobicContact CG2-CB 3.84Å; I56-H133 HydrophobicContact CD1-CB 3.66Å; I56-P138 HydrophobicContact CD1-CB 4.44Å
57V96.6Very high94.4Very high0 Ų035 Ų350%020%0.198CC..EExtended strand (participates in β ladder)trans-107.3121.1172.8-178.20000108.3I19 A21 V33 V55 I102 L123 F124 V125 Y126I19-V57 WeakPolarHBondContact O-CA 3.26Å; A21-V57 HydrophobicContact CB-CG1 3.85Å; V33-V57 HydrophobicContact CG2-CG2 4.49Å; V55-V57 HydrophobicContact CG1-CG2 4.18Å; V57-I102 HydrophobicContact CG1-CD1 3.89Å; V57-I102 HydrophobicContact CG1-CG2 4.43Å; V57-L123 HydrophobicContact CG2-CD1 4.05Å; V57-F124 PolarHBondContact N-O 2.95Å; V57-V125 HydrophobicContact CB-CG1 4.3Å; V57-V125 HydrophobicContact CB-CG2 4.39Å; V57-V125 WeakPolarHBondContact O-CA 3.48Å; V57-Y126 PolarHBondContact O-N 3.26Å
58I96.3Very high94.4Very high22 Ų2236.4 Ų36.411%0.11320%0.201CC..EExtended strand (participates in β ladder)trans-104.7165.2175.661.9172.8000110.6V18 I19 D20 A21 I56 A60V18-I58 HydrophobicContact CG1-CD1 4.05Å; V18-I58 HydrophobicContact CG1-CG1 4.32Å; V18-I58 HydrophobicContact CG1-CG2 4.41Å; I19-I58 PolarHBondContact O-N 3.35Å; D20-I58 HydrophobicContact CB-CD1 4.42Å; D20-I58 HydrophobicContact CB-CG1 4.25Å; A21-I58 WeakPolarHBondContact CB-O 3.45Å; A21-I58 PolarHBondContact N-O 3.28Å; I56-I58 HydrophobicContact CG2-CG2 4.14Å; I58-A60 VanDerWaalsContact C-N 3.25Å; I58-A60 PolarHBondContact O-N 3.33Å
59N95.5Very high94.6Very high13 Ų1335.1 Ų35.17%0.0719%0.194CC..  trans55.435.6-179.6-64.4-41.4000113.9D20 E22 S61 K62 Y126 G128 A129D20-N59 WeakPolarHBondContact OD1-CB 3.33Å; D20-N59 PolarHBondContact OD1-ND2 3.45Å; D20-N59 PolarHBondContact OD2-ND2 2.9Å; E22-N59 HydrophobicContact CB-CB 4.29Å; N59-S61 PolarHBondContact O-N 3.25Å; N59-K62 HydrophobicContact CB-CB 4.5Å; N59-K62 HydrophobicContact CB-CD 4.41Å; N59-K62 PolarHBondContact O-N 3.48Å; N59-Y126 PolarHBondContact N-O 3.27Å; N59-G128 PolarHBondContact N-O 3.44Å; N59-A129 WeakPolarHBondContact OD1-CA 3.37Å; N59-A129 WeakPolarHBondContact OD1-CB 3.19Å; N59-A129 PolarHBondContact OD1-N 3.19Å
60A94.3Very high94.5Very high0 Ų037.9 Ų37.90%021%0.205CC..G310 helixtrans-57.3-23.8-17900000113.6I58 K62 P98 I102 V125 Y126I58-A60 VanDerWaalsContact C-N 3.25Å; I58-A60 PolarHBondContact O-N 3.33Å; A60-K62 VanDerWaalsContact C-N 3.27Å; A60-K62 PolarHBondContact O-N 3.32Å; A60-P98 HydrophobicContact CB-CB 4.06Å; A60-I102 HydrophobicContact CB-CD1 3.47Å; A60-I102 VanDerWaalsContact CB-CD1 3.47Å; A60-I102 HydrophobicContact CB-CG1 4.21Å; A60-V125 HydrophobicContact CB-CG1 3.61Å; A60-Y126 VanDerWaalsContact CB-O 3.31Å; A60-Y126 WeakPolarHBondContact CB-O 3.5Å; A60-Y126 PolarHBondContact N-O 2.87Å
61S93.6Very high94.6Very high51 Ų5141.3 Ų41.336%0.35723%0.227SC..G310 helixtrans-67.1-23.9175.257.40000114.1N59 R94 G127N59-S61 PolarHBondContact O-N 3.25Å; S61-R94 WeakPolarHBondContact O-CD 3.36Å; S61-G127 WeakPolarHBondContact CB-O 3.43Å; S61-G127 PolarHBondContact N-O 3.03Å; S61-G127 PolarHBondContact OG-O 3.1Å
62K94.6Very high94.7Very high87 Ų8746.4 Ų46.438%0.37826%0.255SS..G310 helixtrans-10117.2-176.4-57.4-174-176.4179.20113.7E22 G23 N59 A60E22-K62 HydrophobicContact CB-CB 4.27Å; E22-K62 HydrophobicContact CB-CD 4.17Å; E22-K62 HydrophobicContact CG-CB 4.22Å; E22-K62 HydrophobicContact CG-CD 3.74Å; E22-K62 WeakPolarHBondContact OE1-CD 3.46Å; E22-K62 IonicContact OE1-NZ 2.79Å; E22-K62 PolarHBondContact OE1-NZ 3.2Å; E22-K62 WeakPolarHBondContact OE2-CD 3.44Å; E22-K62 IonicContact OE2-NZ 2.72Å; E22-K62 PolarHBondContact OE2-NZ 2.85Å; G23-K62 PolarHBondContact N-O 3.43Å; N59-K62 HydrophobicContact CB-CB 4.5Å; N59-K62 HydrophobicContact CB-CD 4.41Å; N59-K62 PolarHBondContact O-N 3.48Å; A60-K62 VanDerWaalsContact C-N 3.27Å; A60-K62 PolarHBondContact O-N 3.32Å
63I93.6Very high94.8Very high0 Ų050.4 Ų50.40%027%0.272CS..  trans-67141.3175.3-160.981.8000110.2A21 Q24 L26 L29 F65 R94 L101 I102A21-I63 HydrophobicContact CB-CD1 3.86Å; Q24-I63 HydrophobicContact CB-CD1 4.23Å; Q24-I63 VanDerWaalsContact O-CD1 3.29Å; Q24-I63 WeakPolarHBondContact O-CD1 3.29Å; Q24-I63 WeakPolarHBondContact O-CG1 3.41Å; L26-I63 HydrophobicContact CB-CG1 3.95Å; L26-I63 HydrophobicContact CD1-CG1 4.1Å; L29-I63 HydrophobicContact CD1-CD1 3.99Å; I63-F65 HydrophobicContact CG2-CE2 4.5Å; I63-R94 PolarHBondContact O-NH1 3.3Å; I63-L101 HydrophobicContact CG2-CD2 3.7Å; I63-I102 HydrophobicContact CD1-CD1 4.24Å
64E93.5Very high94.8Very high93 Ų9352.7 Ų52.744%0.43529%0.286SS..BIsolated β-bridgetrans-95.5144.2-177.8-73.8-62.1152.200112.7Q24 L26Q24-E64 PolarHBondContact O-N 2.83Å; L26-E64 PolarHBondContact N-O 2.89Å
65F93.2Very high94.7Very high23 Ų2352.1 Ų52.110%0.10128%0.284CS..  trans-116.3132.7172.7-68.7-74.5000109.9L26 I63 K69 E70 A90 R94 L101L26-F65 HydrophobicContact CD2-CE1 3.76Å; L26-F65 HydrophobicContact CD2-CZ 4.44Å; I63-F65 HydrophobicContact CG2-CE2 4.5Å; F65-K69 HydrophobicContact CB-CB 4.25Å; F65-K69 HydrophobicContact CD1-CB 4.38Å; F65-E70 HydrophobicContact CD2-CB 4.35Å; F65-E70 HydrophobicContact CD2-CG 4.41Å; F65-A90 HydrophobicContact CE1-CB 4.06Å; F65-A90 HydrophobicContact CE2-CB 4.4Å; F65-A90 HydrophobicContact CZ-CB 3.81Å; F65-R94 HydrophobicContact CE2-CB 4.37Å; F65-L101 HydrophobicContact CE1-CD1 4.37Å; F65-L101 HydrophobicContact CE1-CD2 4.42Å; F65-L101 HydrophobicContact CE2-CD2 4.07Å; F65-L101 HydrophobicContact CZ-CD1 3.85Å; F65-L101 HydrophobicContact CZ-CD2 3.47Å; F65-L101 VanDerWaalsContact CZ-CD2 3.47Å; F65-L101 HydrophobicContact CZ-CG 4.23Å
66T93.1Very high94.7Very high69 Ų6960 Ų6042%0.42331%0.314SS..  trans-84.4137.1175.454.50000111.8T25 K69T25-T66 HydrophobicContact CG2-CG2 4.21Å; T66-K69 VanDerWaalsContact O-CD 3.23Å; T66-K69 WeakPolarHBondContact O-CD 3.36Å; T66-K69 VanDerWaalsContact O-CG 3.27Å; T66-K69 WeakPolarHBondContact O-CG 3.46Å; T66-K69 PolarHBondContact OG1-NZ 2.86Å
67G93.3Very high94.6Very high66 Ų6666.5 Ų66.568%0.6834%0.339SS*.THydrogen-bonded Turntrans65.6-149.2-179.500000112.8K69G67-K69 PolarHBondContact O-N 2.93Å
68N93.7Very high94.7Very high119 Ų11971.1 Ų71.164%0.63636%0.36SS*.THydrogen-bonded Turntrans-85.218.6-176.6-59-11.5000113.4E70 T71 D72N68-E70 PolarHBondContact O-N 3.45Å; N68-E70 VanDerWaalsContact O-N 3.14Å; N68-T71 PolarHBondContact O-N 3.46Å; N68-T71 VanDerWaalsContact O-N 3.16Å; N68-T71 PolarHBondContact O-OG1 3.38Å; N68-D72 VanDerWaalsContact CB-OD2 3.26Å; N68-D72 WeakPolarHBondContact CB-OD2 3.29Å; N68-D72 WeakPolarHBondContact O-CB 3.35Å; N68-D72 VanDerWaalsContact O-CG 3.29Å; N68-D72 PolarHBondContact O-N 2.75Å
69K94.6Very high94.7Very high101 Ų10172.6 Ų72.644%0.43937%0.372SS..Hα-helixtrans-62.9-24.8-175.1-72.1174.2-168.9160.20112.9F65 T66 G67 T71 K73F65-K69 HydrophobicContact CB-CB 4.25Å; F65-K69 HydrophobicContact CD1-CB 4.38Å; T66-K69 VanDerWaalsContact O-CD 3.23Å; T66-K69 WeakPolarHBondContact O-CD 3.36Å; T66-K69 VanDerWaalsContact O-CG 3.27Å; T66-K69 WeakPolarHBondContact O-CG 3.46Å; T66-K69 PolarHBondContact OG1-NZ 2.86Å; G67-K69 PolarHBondContact O-N 2.93Å; K69-T71 VanDerWaalsContact C-N 3.27Å; K69-T71 PolarHBondContact O-N 3.31Å; K69-K73 HydrophobicContact CB-CB 4.36Å; K69-K73 WeakPolarHBondContact O-CB 3.45Å; K69-K73 PolarHBondContact O-N 3.35Å
70E91.7Very high94.7Very high74 Ų7478.9 Ų78.935%0.34641%0.406SS..Hα-helixtrans-60.8-39.1178-168166.7-176.300111.9F65 N68 G91 R94F65-E70 HydrophobicContact CD2-CB 4.35Å; F65-E70 HydrophobicContact CD2-CG 4.41Å; N68-E70 PolarHBondContact O-N 3.45Å; N68-E70 VanDerWaalsContact O-N 3.14Å; E70-G91 PolarHBondContact O-N 3.21Å; E70-R94 VanDerWaalsContact CD-NH2 3.27Å; E70-R94 IonicContact OE1-CZ 3.22Å; E70-R94 IonicContact OE1-NE 3.25Å; E70-R94 IonicContact OE1-NH2 3.96Å; E70-R94 PolarHBondContact OE1-NH2 3.31Å; E70-R94 IonicContact OE2-CZ 3.37Å; E70-R94 IonicContact OE2-NH2 2.68Å; E70-R94 PolarHBondContact OE2-NH2 3.37Å
71T94.3Very high94.8Very high93 Ų9385 Ų8557%0.57143%0.434SS*.Hα-helixtrans-90.7-41.1177.853.20000112.4N68 K69N68-T71 PolarHBondContact O-N 3.46Å; N68-T71 VanDerWaalsContact O-N 3.16Å; N68-T71 PolarHBondContact O-OG1 3.38Å; K69-T71 VanDerWaalsContact C-N 3.27Å; K69-T71 PolarHBondContact O-N 3.31Å
72D95.9Very high95Very high108 Ų10889.1 Ų89.158%0.57846%0.46SS*.Hα-helixtrans-89.8-24-164.6-59.4-5.8000112.5N68 V74N68-D72 VanDerWaalsContact CB-OD2 3.26Å; N68-D72 WeakPolarHBondContact CB-OD2 3.29Å; N68-D72 WeakPolarHBondContact O-CB 3.35Å; N68-D72 VanDerWaalsContact O-CG 3.29Å; N68-D72 PolarHBondContact O-N 2.75Å; D72-V74 PolarHBondContact O-N 2.89Å
73K96.2Very high95Very high84 Ų8488.9 Ų88.937%0.36548%0.482SS..  trans-79.7111.6179.1-172.7176.7-178.3-176.90109.5K69 Y75 T89 A90K69-K73 HydrophobicContact CB-CB 4.36Å; K69-K73 WeakPolarHBondContact O-CB 3.45Å; K69-K73 PolarHBondContact O-N 3.35Å; K73-Y75 HydrophobicContact CD-CE2 4.48Å; K73-Y75 WeakPolarHBondContact CE-OH 3.45Å; K73-Y75 PolarHBondContact NZ-OH 3.04Å; K73-Y75 VanDerWaalsContact NZ-OH 3.12Å; K73-T89 CarbonylContact O-C 3.6Å; K73-T89 WeakPolarHBondContact O-CA 3.45Å; K73-A90 HydrophobicContact CB-CB 3.93Å; K73-A90 HydrophobicContact CD-CB 4.41Å; K73-A90 HydrophobicContact CG-CB 4.35Å; K73-A90 PolarHBondContact O-N 3Å
74V95.8Very high95.1Very high48 Ų4889.4 Ų89.429%0.29149%0.488SS..EExtended strand (participates in β ladder)trans-104.6130.5178.5-174.20000110.6D72 Y76 S87 T89D72-V74 PolarHBondContact O-N 2.89Å; V74-Y76 HydrophobicContact CB-CE2 3.74Å; V74-Y76 HydrophobicContact CG1-CD1 4.21Å; V74-Y76 HydrophobicContact CG1-CD2 4.22Å; V74-Y76 HydrophobicContact CG1-CE1 3.71Å; V74-Y76 HydrophobicContact CG1-CE2 3.71Å; V74-Y76 HydrophobicContact CG1-CG 4.45Å; V74-Y76 VanDerWaalsContact CG1-CZ 3.44Å; V74-S87 VanDerWaalsContact CG1-CB 3.5Å; V74-T89 HydrophobicContact CG2-CG2 4.49Å
75Y95.7Very high95.2Very high44 Ų4490.6 Ų90.617%0.17350%0.496CS..EExtended strand (participates in β ladder)trans-94.4124168.7-67.3-84.2000109.4K73 S87 I88 A90 L93 L101K73-Y75 HydrophobicContact CD-CE2 4.48Å; K73-Y75 WeakPolarHBondContact CE-OH 3.45Å; K73-Y75 PolarHBondContact NZ-OH 3.04Å; K73-Y75 VanDerWaalsContact NZ-OH 3.12Å; Y75-S87 CarbonylContact O-C 3.51Å; Y75-S87 WeakPolarHBondContact O-CA 2.99Å; Y75-I88 PolarHBondContact N-O 3.19Å; Y75-I88 PolarHBondContact O-N 3.37Å; Y75-A90 HydrophobicContact CD2-CB 4.48Å; Y75-A90 HydrophobicContact CE2-CB 3.81Å; Y75-L93 HydrophobicContact CD2-CD2 3.75Å; Y75-L93 HydrophobicContact CE2-CD2 3.86Å; Y75-L93 HydrophobicContact CG-CD2 4.23Å; Y75-L101 HydrophobicContact CE2-CD1 3.68Å; Y75-L101 VanDerWaalsContact OH-CD1 3.25Å; Y75-L101 WeakPolarHBondContact OH-CD1 3.27Å
76Y96Very high95.4Very high164 Ų16495 Ų9564%0.64352%0.515SS*.EExtended strand (participates in β ladder)trans-104.4143.2178.1-60.5-85.8000110.8V74 I85 K86V74-Y76 HydrophobicContact CB-CE2 3.74Å; V74-Y76 HydrophobicContact CG1-CD1 4.21Å; V74-Y76 HydrophobicContact CG1-CD2 4.22Å; V74-Y76 HydrophobicContact CG1-CE1 3.71Å; V74-Y76 HydrophobicContact CG1-CE2 3.71Å; V74-Y76 HydrophobicContact CG1-CG 4.45Å; V74-Y76 VanDerWaalsContact CG1-CZ 3.44Å; Y76-I85 HydrophobicContact CD1-CG2 4.18Å; Y76-K86 CarbonylContact C-O 3.58Å; Y76-K86 WeakPolarHBondContact CA-O 3.32Å
77R95.6Very high95.5Very high138 Ų13895.5 Ų95.552%0.52152%0.521SS..EExtended strand (participates in β ladder)trans-139.7147.6167.366.6-177.4179.8-168.70.1109.6K86R77-K86 HydrophobicContact CG-CB 3.85Å; R77-K86 PolarHBondContact N-O 3.03Å; R77-K86 PolarHBondContact O-N 3.18Å
78H97.4Very high95.6Very high96 Ų9694.6 Ų94.644%0.44450%0.5SS..EExtended strand (participates in β ladder)trans-116.4141.2178.4-169-111.8000110.4N80 H81H78-N80 WeakPolarHBondContact CE1-CA 3.5Å; H78-N80 PolarHBondContact CE1-N 3.2Å; H78-N80 VanDerWaalsContact ND1-CA 3.35Å; H78-N80 WeakPolarHBondContact ND1-CA 3.5Å; H78-N80 PolarHBondContact ND1-N 3.09Å; H78-N80 PolarHBondContact ND1-OD1 3.18Å; H78-H81 PolarHBondContact NE2-O 3.03Å
79S96.5Very high95.7Very high53 Ų5391.1 Ų91.137%0.37148%0.484SS..  trans-91.82.7178.464.80000114.5H81 G84S79-H81 PolarHBondContact O-N 2.85Å; S79-H81 PolarHBondContact O-ND1 2.79Å; S79-G84 PolarHBondContact N-O 3.39Å; S79-G84 VanDerWaalsContact N-O 3.11Å; S79-G84 WeakPolarHBondContact OG-CA 3.44Å; S79-G84 PolarHBondContact OG-O 2.88Å
80N96.3Very high95.7Very high145 Ų14586.3 Ų86.378%0.77546%0.463SS*.SBendtrans64.417.3-173.3-59.5-28.8000115.3H78H78-N80 WeakPolarHBondContact CE1-CA 3.5Å; H78-N80 PolarHBondContact CE1-N 3.2Å; H78-N80 VanDerWaalsContact ND1-CA 3.35Å; H78-N80 WeakPolarHBondContact ND1-CA 3.5Å; H78-N80 PolarHBondContact ND1-N 3.09Å; H78-N80 PolarHBondContact ND1-OD1 3.18Å
81H96.6Very high95.8Very high129 Ų12983.3 Ų83.360%0.59745%0.452SS*.SBendtrans-108150.4170.4-64.270.8000109.7H78 S79 G83 G84H78-H81 PolarHBondContact NE2-O 3.03Å; S79-H81 PolarHBondContact O-N 2.85Å; S79-H81 PolarHBondContact O-ND1 2.79Å; H81-G83 PolarHBondContact O-N 3.41Å; H81-G84 WeakPolarHBondContact O-CA 3.34Å; H81-G84 PolarHBondContact O-N 2.72Å
82P97Very high95.8Very high138 Ų13883 Ų8390%0.89644%0.444SS*.THydrogen-bonded Turntrans-52.7129173.5-24.934.1000111.4G84P82-G84 PolarHBondContact O-N 3.41Å
83G94.9Very high95.7Very high82 Ų8278.3 Ų78.385%0.84542%0.418SS*.THydrogen-bonded Turntrans71.910.7-176.300000115.1H81 I85H81-G83 PolarHBondContact O-N 3.41Å; G83-I85 PolarHBondContact O-N 2.91Å; G83-I85 VanDerWaalsContact O-N 3.13Å
84G95.9Very high95.6Very high11 Ų1176.8 Ų76.811%0.11341%0.411CS..  trans-80.920.7-173.100000116.4S79 H81 P82S79-G84 PolarHBondContact N-O 3.39Å; S79-G84 VanDerWaalsContact N-O 3.11Å; S79-G84 WeakPolarHBondContact OG-CA 3.44Å; S79-G84 PolarHBondContact OG-O 2.88Å; H81-G84 WeakPolarHBondContact O-CA 3.34Å; H81-G84 PolarHBondContact O-N 2.72Å; P82-G84 PolarHBondContact O-N 3.41Å
85I96.5Very high95.4Very high117 Ų11783.8 Ų83.860%0.643%0.432SS*.EExtended strand (participates in β ladder)trans-74.5127.7177.3-64.3175.6000108.8Y76 G83Y76-I85 HydrophobicContact CD1-CG2 4.18Å; G83-I85 PolarHBondContact O-N 2.91Å; G83-I85 VanDerWaalsContact O-N 3.13Å
86K96.1Very high95.3Very high115 Ų11585.6 Ų85.650%0.545%0.447SS..EExtended strand (participates in β ladder)trans-118.8131171-59.5-176.1178.7-175.90108.7Y76 R77Y76-K86 CarbonylContact C-O 3.58Å; Y76-K86 WeakPolarHBondContact CA-O 3.32Å; R77-K86 HydrophobicContact CG-CB 3.85Å; R77-K86 PolarHBondContact N-O 3.03Å; R77-K86 PolarHBondContact O-N 3.18Å
87S95.9Very high95.2Very high80 Ų8080.7 Ų80.756%0.55943%0.432SS*.EExtended strand (participates in β ladder)trans-113148.5174.644.30000110.3V74 Y75V74-S87 VanDerWaalsContact CG1-CB 3.5Å; Y75-S87 CarbonylContact O-C 3.51Å; Y75-S87 WeakPolarHBondContact O-CA 2.99Å
88I95.7Very high95.2Very high47 Ų4775 Ų7524%0.24141%0.413CS..EExtended strand (participates in β ladder)trans-144.2137.8169.9-170.4169000108.6Y75 E92 L93Y75-I88 PolarHBondContact N-O 3.19Å; Y75-I88 PolarHBondContact O-N 3.37Å; I88-E92 HydrophobicContact CD1-CB 4.4Å; I88-E92 HydrophobicContact CD1-CG 4.1Å; I88-E92 HydrophobicContact CG1-CB 3.93Å; I88-E92 HydrophobicContact CG1-CG 4.01Å; I88-L93 HydrophobicContact CD1-CB 4.28Å; I88-L93 HydrophobicContact CD1-CD1 4.13Å; I88-L93 HydrophobicContact CG1-CB 4.46Å; I88-L93 HydrophobicContact CG2-CD1 4.48Å
89T95.9Very high95.1Very high47 Ų4774.1 Ų74.129%0.28841%0.409SS..EExtended strand (participates in β ladder)trans-75.9158.117761.50000110.8K73 V74 G91 E92 L93K73-T89 CarbonylContact O-C 3.6Å; K73-T89 WeakPolarHBondContact O-CA 3.45Å; V74-T89 HydrophobicContact CG2-CG2 4.49Å; T89-G91 VanDerWaalsContact C-N 3.32Å; T89-G91 PolarHBondContact O-N 2.94Å; T89-E92 PolarHBondContact O-N 3.19Å; T89-E92 VanDerWaalsContact OG1-CB 3.29Å; T89-E92 WeakPolarHBondContact OG1-CB 3.46Å; T89-E92 PolarHBondContact OG1-N 3.35Å; T89-L93 WeakPolarHBondContact O-CB 3.22Å; T89-L93 PolarHBondContact O-N 3.01Å
90A94.2Very high95Very high0 Ų076.5 Ų76.50%041%0.41CS..Hα-helixtrans-63.1-38.5179.200000112.5F65 K73 Y75 L93 R94F65-A90 HydrophobicContact CE1-CB 4.06Å; F65-A90 HydrophobicContact CE2-CB 4.4Å; F65-A90 HydrophobicContact CZ-CB 3.81Å; K73-A90 HydrophobicContact CB-CB 3.93Å; K73-A90 HydrophobicContact CD-CB 4.41Å; K73-A90 HydrophobicContact CG-CB 4.35Å; K73-A90 PolarHBondContact O-N 3Å; Y75-A90 HydrophobicContact CD2-CB 4.48Å; Y75-A90 HydrophobicContact CE2-CB 3.81Å; A90-L93 PolarHBondContact O-N 2.9Å; A90-R94 PolarHBondContact O-N 3.35Å
91G93.2Very high95Very high11 Ų1169.6 Ų69.611%0.11337%0.373CS..Hα-helixtrans-64.8-43.3174.900000113E70 T89 L93 R94 R95E70-G91 PolarHBondContact O-N 3.21Å; T89-G91 VanDerWaalsContact C-N 3.32Å; T89-G91 PolarHBondContact O-N 2.94Å; G91-L93 VanDerWaalsContact C-N 3.32Å; G91-L93 PolarHBondContact O-N 3.35Å; G91-R94 PolarHBondContact O-N 3.33Å; G91-R95 PolarHBondContact O-N 3Å; G91-R95 VanDerWaalsContact O-N 3.08Å
92E94.8Very high94.9Very high86 Ų8663.4 Ų63.440%0.40235%0.345SS..Hα-helixtrans-64.9-39.1175.5-170.7178.7-171.800111.6I88 T89 R95 T96I88-E92 HydrophobicContact CD1-CB 4.4Å; I88-E92 HydrophobicContact CD1-CG 4.1Å; I88-E92 HydrophobicContact CG1-CB 3.93Å; I88-E92 HydrophobicContact CG1-CG 4.01Å; T89-E92 PolarHBondContact O-N 3.19Å; T89-E92 VanDerWaalsContact OG1-CB 3.29Å; T89-E92 WeakPolarHBondContact OG1-CB 3.46Å; T89-E92 PolarHBondContact OG1-N 3.35Å; E92-R95 PolarHBondContact O-N 3.47Å; E92-T96 HydrophobicContact CG-CG2 4.32Å; E92-T96 WeakPolarHBondContact O-CB 3.42Å; E92-T96 WeakPolarHBondContact O-CG2 3.24Å; E92-T96 PolarHBondContact O-N 3.2Å; E92-T96 PolarHBondContact O-OG1 2.9Å
93L94Very high94.9Very high9 Ų959.5 Ų59.55%0.04731%0.314CS..Hα-helixtrans-64.3-42.3175.4-170.565.8000111.5Y75 I88 T89 A90 G91 R95 T96 N97 R100 L101Y75-L93 HydrophobicContact CD2-CD2 3.75Å; Y75-L93 HydrophobicContact CE2-CD2 3.86Å; Y75-L93 HydrophobicContact CG-CD2 4.23Å; I88-L93 HydrophobicContact CD1-CB 4.28Å; I88-L93 HydrophobicContact CD1-CD1 4.13Å; I88-L93 HydrophobicContact CG1-CB 4.46Å; I88-L93 HydrophobicContact CG2-CD1 4.48Å; T89-L93 WeakPolarHBondContact O-CB 3.22Å; T89-L93 PolarHBondContact O-N 3.01Å; A90-L93 PolarHBondContact O-N 2.9Å; G91-L93 VanDerWaalsContact C-N 3.32Å; G91-L93 PolarHBondContact O-N 3.35Å; L93-R95 VanDerWaalsContact C-N 3.28Å; L93-R95 PolarHBondContact O-N 3.21Å; L93-T96 PolarHBondContact O-N 3.27Å; L93-N97 CarbonylContact O-C 3.51Å; L93-N97 WeakPolarHBondContact O-CA 3.27Å; L93-N97 PolarHBondContact O-N 3.47Å; L93-R100 HydrophobicContact CD1-CB 4.5Å; L93-L101 HydrophobicContact CD2-CB 3.97Å; L93-L101 HydrophobicContact CD2-CD1 3.91Å; L93-L101 HydrophobicContact CG-CB 4.13Å
94R92.8Very high94.9Very high53 Ų5358.7 Ų58.720%0.229%0.29CS..Hα-helixtrans-57.7-41174.5-175.9174.470.1159.23.9111.8S61 I63 F65 E70 A90 G91 P98 L101S61-R94 WeakPolarHBondContact O-CD 3.36Å; I63-R94 PolarHBondContact O-NH1 3.3Å; F65-R94 HydrophobicContact CE2-CB 4.37Å; E70-R94 VanDerWaalsContact CD-NH2 3.27Å; E70-R94 IonicContact OE1-CZ 3.22Å; E70-R94 IonicContact OE1-NE 3.25Å; E70-R94 IonicContact OE1-NH2 3.96Å; E70-R94 PolarHBondContact OE1-NH2 3.31Å; E70-R94 IonicContact OE2-CZ 3.37Å; E70-R94 IonicContact OE2-NH2 2.68Å; E70-R94 PolarHBondContact OE2-NH2 3.37Å; A90-R94 PolarHBondContact O-N 3.35Å; G91-R94 PolarHBondContact O-N 3.33Å; R94-P98 WeakPolarHBondContact O-CB 3.42Å; R94-P98 WeakPolarHBondContact O-CD 3.38Å; R94-L101 HydrophobicContact CB-CD2 4.12Å; R94-L101 HydrophobicContact CG-CD2 4.48Å
95R92.4Very high94.9Very high195 Ų19559.2 Ų59.274%0.73629%0.292SS*.Hα-helixtrans-73.5-40.8-179-173.517764.81161.1113.2G91 E92 L93G91-R95 PolarHBondContact O-N 3Å; G91-R95 VanDerWaalsContact O-N 3.08Å; E92-R95 PolarHBondContact O-N 3.47Å; L93-R95 VanDerWaalsContact C-N 3.28Å; L93-R95 PolarHBondContact O-N 3.21Å
96T94.1Very high94.9Very high81 Ų8153.6 Ų53.650%0.49726%0.264SS..Hα-helixtrans-89.5-39.4-172.653.10000113.1E92 L93E92-T96 HydrophobicContact CG-CG2 4.32Å; E92-T96 WeakPolarHBondContact O-CB 3.42Å; E92-T96 WeakPolarHBondContact O-CG2 3.24Å; E92-T96 PolarHBondContact O-N 3.2Å; E92-T96 PolarHBondContact O-OG1 2.9Å; L93-T96 PolarHBondContact O-N 3.27Å
97N94.4Very high94.8Very high62 Ų6252.6 Ų52.633%0.33226%0.259SS..  trans-153.179-179.2-167.2-37.5000110.2L93 E99 R100 L101L93-N97 CarbonylContact O-C 3.51Å; L93-N97 WeakPolarHBondContact O-CA 3.27Å; L93-N97 PolarHBondContact O-N 3.47Å; N97-E99 PolarHBondContact O-N 3.35Å; N97-E99 PolarHBondContact OD1-N 2.85Å; N97-R100 HydrophobicContact CB-CB 4.21Å; N97-R100 PolarHBondContact O-N 3.08Å; N97-R100 VanDerWaalsContact OD1-CB 3.26Å; N97-R100 WeakPolarHBondContact OD1-CB 3.23Å; N97-R100 PolarHBondContact OD1-N 2.65Å; N97-L101 PolarHBondContact O-N 2.65Å
98P94.5Very high94.8Very high18 Ų1851.9 Ų51.912%0.11727%0.265CS..Hα-helixtrans-64.2-28.5-179.524.3-32.1000112.6A60 R94 L101 I102A60-P98 HydrophobicContact CB-CB 4.06Å; R94-P98 WeakPolarHBondContact O-CB 3.42Å; R94-P98 WeakPolarHBondContact O-CD 3.38Å; P98-L101 WeakPolarHBondContact O-CB 3.19Å; P98-L101 PolarHBondContact O-N 3.47Å; P98-I102 PolarHBondContact O-N 2.73Å
99E95.6Very high94.8Very high77 Ų7753.2 Ų53.236%0.3627%0.271SS..Hα-helixtrans-60.6-49.4178-61.6163.9-178.300110.2N97 L101 I102 E103 V125N97-E99 PolarHBondContact O-N 3.35Å; N97-E99 PolarHBondContact OD1-N 2.85Å; E99-L101 VanDerWaalsContact C-N 3.26Å; E99-L101 PolarHBondContact O-N 2.98Å; E99-I102 PolarHBondContact O-N 3.37Å; E99-E103 WeakPolarHBondContact O-CB 3.25Å; E99-E103 WeakPolarHBondContact O-CG 3.06Å; E99-E103 PolarHBondContact O-N 3.38Å; E99-V125 HydrophobicContact CB-CB 4.3Å; E99-V125 HydrophobicContact CB-CG1 4.21Å; E99-V125 HydrophobicContact CG-CB 4.47Å; E99-V125 HydrophobicContact CG-CG1 4.25Å
100R94.9Very high94.8Very high103 Ų10351.9 Ų51.939%0.38926%0.262SS..Hα-helixtrans-61.4-33.5178.6-173.8172.8-173.8155.56.1112.8L93 N97 N104L93-R100 HydrophobicContact CD1-CB 4.5Å; N97-R100 HydrophobicContact CB-CB 4.21Å; N97-R100 PolarHBondContact O-N 3.08Å; N97-R100 VanDerWaalsContact OD1-CB 3.26Å; N97-R100 WeakPolarHBondContact OD1-CB 3.23Å; N97-R100 PolarHBondContact OD1-N 2.65Å; R100-N104 VanDerWaalsContact O-CB 3.23Å; R100-N104 WeakPolarHBondContact O-CB 3.38Å; R100-N104 PolarHBondContact O-N 3.27Å; R100-N104 PolarHBondContact O-ND2 2.82Å
101L95Very high94.9Very high0 Ų054.5 Ų54.50%028%0.279CS..Hα-helixtrans-60.8-51.2176.3174.673.6000110.9L26 I63 F65 Y75 L93 R94 N97 P98 E99 S105L26-L101 HydrophobicContact CD1-CG 4.37Å; L26-L101 HydrophobicContact CD2-CD1 4.18Å; L26-L101 HydrophobicContact CD2-CG 4.3Å; I63-L101 HydrophobicContact CG2-CD2 3.7Å; F65-L101 HydrophobicContact CE1-CD1 4.37Å; F65-L101 HydrophobicContact CE1-CD2 4.42Å; F65-L101 HydrophobicContact CE2-CD2 4.07Å; F65-L101 HydrophobicContact CZ-CD1 3.85Å; F65-L101 HydrophobicContact CZ-CD2 3.47Å; F65-L101 VanDerWaalsContact CZ-CD2 3.47Å; F65-L101 HydrophobicContact CZ-CG 4.23Å; Y75-L101 HydrophobicContact CE2-CD1 3.68Å; Y75-L101 VanDerWaalsContact OH-CD1 3.25Å; Y75-L101 WeakPolarHBondContact OH-CD1 3.27Å; L93-L101 HydrophobicContact CD2-CB 3.97Å; L93-L101 HydrophobicContact CD2-CD1 3.91Å; L93-L101 HydrophobicContact CG-CB 4.13Å; R94-L101 HydrophobicContact CB-CD2 4.12Å; R94-L101 HydrophobicContact CG-CD2 4.48Å; N97-L101 PolarHBondContact O-N 2.65Å; P98-L101 WeakPolarHBondContact O-CB 3.19Å; P98-L101 PolarHBondContact O-N 3.47Å; E99-L101 VanDerWaalsContact C-N 3.26Å; E99-L101 PolarHBondContact O-N 2.98Å; L101-S105 PolarHBondContact O-N 2.84Å
102I95.7Very high94.9Very high0 Ų060.2 Ų60.20%032%0.317CS..Hα-helixtrans-70.1-43.6-179.7-65.8-167.1000110.7A21 L26 V57 A60 I63 P98 E99 N104 S105 I106 V125A21-I102 HydrophobicContact CB-CD1 4.19Å; L26-I102 HydrophobicContact CD1-CG1 3.98Å; V57-I102 HydrophobicContact CG1-CD1 3.89Å; V57-I102 HydrophobicContact CG1-CG2 4.43Å; A60-I102 HydrophobicContact CB-CD1 3.47Å; A60-I102 VanDerWaalsContact CB-CD1 3.47Å; A60-I102 HydrophobicContact CB-CG1 4.21Å; I63-I102 HydrophobicContact CD1-CD1 4.24Å; P98-I102 PolarHBondContact O-N 2.73Å; E99-I102 PolarHBondContact O-N 3.37Å; I102-N104 PolarHBondContact O-N 2.95Å; I102-S105 WeakPolarHBondContact O-CB 3.23Å; I102-S105 PolarHBondContact O-N 3.42Å; I102-I106 HydrophobicContact CG2-CD1 3.46Å; I102-I106 VanDerWaalsContact CG2-CD1 3.46Å; I102-I106 HydrophobicContact CG2-CG1 4.29Å; I102-I106 WeakPolarHBondContact O-CG1 3.26Å; I102-I106 PolarHBondContact O-N 3.22Å; I102-V125 HydrophobicContact CB-CG1 4.05Å; I102-V125 HydrophobicContact CB-CG2 4.49Å; I102-V125 HydrophobicContact CD1-CG1 4.36Å; I102-V125 HydrophobicContact CG2-CG1 4.17Å; I102-V125 HydrophobicContact CG2-CG2 4.01Å
103E96Very high95Very high55 Ų5559.9 Ų59.926%0.25732%0.321SS..Hα-helixtrans-58.2-47.3177.6-77.4-167.8-17500112.4E99 S105 I106 K107 L123 V125E99-E103 WeakPolarHBondContact O-CB 3.25Å; E99-E103 WeakPolarHBondContact O-CG 3.06Å; E99-E103 PolarHBondContact O-N 3.38Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 2.9Å; E103-I106 PolarHBondContact O-N 2.96Å; E103-K107 HydrophobicContact CB-CD 4.41Å; E103-K107 WeakPolarHBondContact O-CB 3.36Å; E103-K107 VanDerWaalsContact O-CG 3.27Å; E103-K107 WeakPolarHBondContact O-CG 3.42Å; E103-K107 PolarHBondContact O-N 3.2Å; E103-K107 IonicContact OE2-NZ 3.33Å; E103-K107 PolarHBondContact OE2-NZ 3.14Å; E103-L123 HydrophobicContact CG-CD2 4.28Å; E103-V125 HydrophobicContact CG-CB 4.48Å; E103-V125 HydrophobicContact CG-CG2 3.89Å
104N95.1Very high95.1Very high65 Ų6569.9 Ų69.935%0.34836%0.358SS..Hα-helixtrans-60.7-41.3179.2-75.3-17.7000111.1R100 I102 G108R100-N104 VanDerWaalsContact O-CB 3.23Å; R100-N104 WeakPolarHBondContact O-CB 3.38Å; R100-N104 PolarHBondContact O-N 3.27Å; R100-N104 PolarHBondContact O-ND2 2.82Å; I102-N104 PolarHBondContact O-N 2.95Å; N104-G108 PolarHBondContact O-N 3.06Å; N104-G108 VanDerWaalsContact O-N 3.08Å
105S95.5Very high95.2Very high22 Ų2269.2 Ų69.215%0.15436%0.359CS..Hα-helixtrans-60.8-52.1178-179.60000111.4S30 L101 I102 E103 M109S30-S105 WeakPolarHBondContact CB-OG 3.49Å; S30-S105 WeakPolarHBondContact OG-CB 3.21Å; S30-S105 PolarHBondContact OG-OG 2.98Å; L101-S105 PolarHBondContact O-N 2.84Å; I102-S105 WeakPolarHBondContact O-CB 3.23Å; I102-S105 PolarHBondContact O-N 3.42Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 2.9Å; S105-M109 WeakPolarHBondContact O-CG 3.45Å
106I96.5Very high95.4Very high0 Ų060.1 Ų60.10%033%0.325CS..Hα-helixtrans-71.5-46.6-176.2-64.9167.4000111.4L29 V33 A34 L37 I102 E103 G108 M109 L110 L123L29-I106 HydrophobicContact CD2-CD1 4.5Å; V33-I106 HydrophobicContact CB-CD1 3.98Å; V33-I106 HydrophobicContact CB-CG1 4.42Å; V33-I106 HydrophobicContact CG1-CD1 3.65Å; V33-I106 HydrophobicContact CG1-CG1 4.36Å; V33-I106 HydrophobicContact CG1-CG2 4.13Å; V33-I106 HydrophobicContact CG2-CD1 4.46Å; A34-I106 HydrophobicContact CB-CG2 4.34Å; L37-I106 HydrophobicContact CD1-CG2 3.61Å; I102-I106 HydrophobicContact CG2-CD1 3.46Å; I102-I106 VanDerWaalsContact CG2-CD1 3.46Å; I102-I106 HydrophobicContact CG2-CG1 4.29Å; I102-I106 WeakPolarHBondContact O-CG1 3.26Å; I102-I106 PolarHBondContact O-N 3.22Å; E103-I106 PolarHBondContact O-N 2.96Å; I106-G108 PolarHBondContact O-N 3.12Å; I106-M109 WeakPolarHBondContact O-CA 3.46Å; I106-M109 WeakPolarHBondContact O-CB 3.45Å; I106-M109 PolarHBondContact O-N 3.41Å; I106-L110 PolarHBondContact O-N 3.01Å; I106-L123 HydrophobicContact CB-CD2 3.9Å; I106-L123 HydrophobicContact CD1-CD1 3.78Å; I106-L123 HydrophobicContact CD1-CD2 3.72Å; I106-L123 HydrophobicContact CD1-CG 4.42Å; I106-L123 HydrophobicContact CG1-CD2 4.41Å; I106-L123 HydrophobicContact CG2-CD2 3.9Å
107K94.8Very high95.4Very high93 Ų9362.2 Ų62.240%0.40433%0.329SS..Hα-helixtrans-61.2-33.3179.3-70.9173.1179.9167.10111.3E103 M109 L110E103-K107 HydrophobicContact CB-CD 4.41Å; E103-K107 WeakPolarHBondContact O-CB 3.36Å; E103-K107 VanDerWaalsContact O-CG 3.27Å; E103-K107 WeakPolarHBondContact O-CG 3.42Å; E103-K107 PolarHBondContact O-N 3.2Å; E103-K107 IonicContact OE2-NZ 3.33Å; E103-K107 PolarHBondContact OE2-NZ 3.14Å; K107-M109 PolarHBondContact O-N 2.94Å; K107-L110 PolarHBondContact O-N 3.16Å
108G95.6Very high95.5Very high66 Ų6665.4 Ų65.468%0.6834%0.34SS*.THydrogen-bonded Turntrans-65.7-19.417300000114.7N104 I106N104-G108 PolarHBondContact O-N 3.06Å; N104-G108 VanDerWaalsContact O-N 3.08Å; I106-G108 PolarHBondContact O-N 3.12Å
109M95.8Very high95.5Very high75 Ų7564.8 Ų64.837%0.36934%0.336SS..THydrogen-bonded Turntrans-95.3-4.2177.3-62.9-177.3-171.100113.5A34 S105 I106 K107A34-M109 HydrophobicContact CB-CB 3.77Å; S105-M109 WeakPolarHBondContact O-CG 3.45Å; I106-M109 WeakPolarHBondContact O-CA 3.46Å; I106-M109 WeakPolarHBondContact O-CB 3.45Å; I106-M109 PolarHBondContact O-N 3.41Å; K107-M109 PolarHBondContact O-N 2.94Å
110L95.7Very high95.6Very high18 Ų1861.5 Ų61.59%0.09432%0.322CS..SBendtrans-88.8157.3175.8-66.3176.7000111.3A34 L37 R38 I106 K107 S112 Q119A34-L110 HydrophobicContact CB-CD2 4.29Å; L37-L110 HydrophobicContact CB-CD2 4.29Å; L37-L110 HydrophobicContact CD1-CD1 4.42Å; R38-L110 HydrophobicContact CG-CD2 3.86Å; I106-L110 PolarHBondContact O-N 3.01Å; K107-L110 PolarHBondContact O-N 3.16Å; L110-S112 PolarHBondContact O-N 2.78Å; L110-Q119 HydrophobicContact CD1-CB 4.43Å
111P95.7Very high95.6Very high55 Ų5563.5 Ų63.536%0.35733%0.334SS..  trans-60.3134.7175.1-20.232.6000110.9T113 G116P111-T113 HydrophobicContact CB-CG2 4.43Å; P111-T113 PolarHBondContact O-N 2.8Å; P111-G116 WeakPolarHBondContact O-CA 3.47Å
112S94.5Very high95.7Very high132 Ų13263.9 Ų63.992%0.92334%0.336SS*.SBendtrans-78.152.3178.561.80000112.3L110L110-S112 PolarHBondContact O-N 2.78Å
113T96.5Very high95.8Very high78 Ų7864.4 Ų64.448%0.47934%0.338SS..SBendtrans-127.5169.1-178.570.20000110.4P111 L115 G116 E117P111-T113 HydrophobicContact CB-CG2 4.43Å; P111-T113 PolarHBondContact O-N 2.8Å; T113-L115 PolarHBondContact O-N 3.28Å; T113-L115 PolarHBondContact OG1-N 3.3Å; T113-G116 PolarHBondContact O-N 3Å; T113-G116 VanDerWaalsContact O-N 3.07Å; T113-G116 PolarHBondContact OG1-N 3.22Å; T113-E117 PolarHBondContact O-N 3.18Å
114R96.3Very high95.8Very high219 Ų21964.5 Ų64.583%0.82634%0.338SS*.Hα-helixtrans-54.7-34.5174.2-70.1178.6168.3145-2.9112.9K118R114-K118 WeakPolarHBondContact O-CG 3.24Å; R114-K118 PolarHBondContact O-N 3.38Å
115L95Very high95.9Very high40 Ų4061.8 Ų61.821%0.20932%0.324CS..Hα-helixtrans-69.8-44.7177.1-176.764.9000111.1P47 D50 T113 E117 K118 Q119P47-L115 WeakPolarHBondContact O-CD2 3.24Å; D50-L115 HydrophobicContact CB-CD1 3.79Å; T113-L115 PolarHBondContact O-N 3.28Å; T113-L115 PolarHBondContact OG1-N 3.3Å; L115-E117 VanDerWaalsContact C-N 3.29Å; L115-E117 PolarHBondContact O-N 3.23Å; L115-K118 WeakPolarHBondContact O-CB 3.43Å; L115-K118 PolarHBondContact O-N 3.02Å; L115-K118 VanDerWaalsContact O-N 3.15Å; L115-Q119 WeakPolarHBondContact O-CG 3.47Å; L115-Q119 PolarHBondContact O-N 3.06Å
116G95.6Very high95.9Very high3 Ų363.1 Ų63.13%0.03133%0.326CS..Hα-helixtrans-65-33.8177.500000112.8P111 T113 Q119 G120P111-G116 WeakPolarHBondContact O-CA 3.47Å; T113-G116 PolarHBondContact O-N 3Å; T113-G116 VanDerWaalsContact O-N 3.07Å; T113-G116 PolarHBondContact OG1-N 3.22Å; G116-Q119 PolarHBondContact O-N 3.2Å; G116-G120 PolarHBondContact O-N 3.32Å
117E95.7Very high95.7Very high126 Ų12663.9 Ų63.959%0.58933%0.333SS*.Hα-helixtrans-63.8-41.3171.9-164.4-172.4162.200111.7T113 L115 G120 K121T113-E117 PolarHBondContact O-N 3.18Å; L115-E117 VanDerWaalsContact C-N 3.29Å; L115-E117 PolarHBondContact O-N 3.23Å; E117-G120 PolarHBondContact O-N 2.93Å; E117-K121 WeakPolarHBondContact O-CG 3.41Å; E117-K121 PolarHBondContact O-N 3.42Å
118K95.5Very high95.7Very high128 Ų12861.3 Ų61.356%0.55733%0.333SS*.Hα-helixtrans-62.5-43.8173.1-72.9-178.1179.9-173.90111.9R114 L115 G120 K121R114-K118 WeakPolarHBondContact O-CG 3.24Å; R114-K118 PolarHBondContact O-N 3.38Å; L115-K118 WeakPolarHBondContact O-CB 3.43Å; L115-K118 PolarHBondContact O-N 3.02Å; L115-K118 VanDerWaalsContact O-N 3.15Å; K118-G120 VanDerWaalsContact C-N 3.33Å; K118-G120 PolarHBondContact O-N 3.15Å; K118-K121 WeakPolarHBondContact O-CB 3.37Å; K118-K121 PolarHBondContact O-N 2.96Å
119Q95.6Very high95.6Very high6 Ų661.1 Ų61.13%0.02833%0.325CS..Hα-helixtrans-61.3-42175.9-71.6171-16.300111.5D50 L110 L115 G116 K121 K122D50-Q119 WeakPolarHBondContact OD1-CG 3.49Å; L110-Q119 HydrophobicContact CD1-CB 4.43Å; L115-Q119 WeakPolarHBondContact O-CG 3.47Å; L115-Q119 PolarHBondContact O-N 3.06Å; G116-Q119 PolarHBondContact O-N 3.2Å; Q119-K121 PolarHBondContact O-N 3.42Å; Q119-K122 WeakPolarHBondContact O-CB 3.43Å; Q119-K122 PolarHBondContact O-N 3.26Å
120G95.8Very high95.4Very high7 Ų765.8 Ų65.87%0.07235%0.346CS..Hα-helixtrans-63-22.1177.500000114.2G116 E117 K118 K122 L123G116-G120 PolarHBondContact O-N 3.32Å; E117-G120 PolarHBondContact O-N 2.93Å; K118-G120 VanDerWaalsContact C-N 3.33Å; K118-G120 PolarHBondContact O-N 3.15Å; G120-K122 VanDerWaalsContact C-N 3.25Å; G120-K122 PolarHBondContact O-N 2.92Å; G120-L123 PolarHBondContact O-N 3.28Å
121K96.1Very high95.3Very high146 Ų14667.2 Ų67.264%0.63535%0.352SS*.THydrogen-bonded Turntrans-75.4-11.2173.4-68.8176.1-177.8-178.50113.6E117 K118 Q119 L123E117-K121 WeakPolarHBondContact O-CG 3.41Å; E117-K121 PolarHBondContact O-N 3.42Å; K118-K121 WeakPolarHBondContact O-CB 3.37Å; K118-K121 PolarHBondContact O-N 2.96Å; Q119-K121 PolarHBondContact O-N 3.42Å; K121-L123 VanDerWaalsContact C-N 3.32Å
122K96.2Very high95.2Very high8 Ų869.2 Ų69.24%0.03537%0.365CS..THydrogen-bonded Turntrans-88.4-3.2176-57.7-177.9172.4172.60113.4R14 L37 D50 G52 Y54 V55 Q119 G120R14-K122 VanDerWaalsContact NE-NZ 3.19Å; L37-K122 HydrophobicContact CD2-CB 3.89Å; D50-K122 IonicContact OD1-NZ 2.67Å; D50-K122 PolarHBondContact OD1-NZ 3.32Å; D50-K122 WeakPolarHBondContact OD2-CE 3.49Å; D50-K122 IonicContact OD2-NZ 2.73Å; D50-K122 PolarHBondContact OD2-NZ 2.86Å; G52-K122 PolarHBondContact O-NZ 3Å; Y54-K122 HydrophobicContact CD1-CB 3.58Å; Y54-K122 HydrophobicContact CD1-CD 4.31Å; Y54-K122 HydrophobicContact CD1-CG 3.8Å; Y54-K122 HydrophobicContact CE1-CB 3.93Å; Y54-K122 HydrophobicContact CE1-CD 4.17Å; Y54-K122 HydrophobicContact CE1-CG 3.61Å; Y54-K122 HydrophobicContact CG-CB 4.34Å; V55-K122 PolarHBondContact N-O 3.31Å; Q119-K122 WeakPolarHBondContact O-CB 3.43Å; Q119-K122 PolarHBondContact O-N 3.26Å; G120-K122 VanDerWaalsContact C-N 3.25Å; G120-K122 PolarHBondContact O-N 2.92Å
123L97.4Very high95.1Very high11 Ų1164.8 Ų64.86%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-87.5125.1172.8178.768.8000109.1V33 L37 V55 V57 E103 I106 G120 K121 V125V33-L123 HydrophobicContact CG1-CD1 3.87Å; L37-L123 HydrophobicContact CD1-CB 4.03Å; L37-L123 HydrophobicContact CD1-CD1 4.36Å; L37-L123 HydrophobicContact CD2-CB 4.36Å; V55-L123 HydrophobicContact CB-CD1 4.45Å; V55-L123 HydrophobicContact CG1-CD1 4.49Å; V55-L123 WeakPolarHBondContact O-CA 3.39Å; V57-L123 HydrophobicContact CG2-CD1 4.05Å; E103-L123 HydrophobicContact CG-CD2 4.28Å; I106-L123 HydrophobicContact CB-CD2 3.9Å; I106-L123 HydrophobicContact CD1-CD1 3.78Å; I106-L123 HydrophobicContact CD1-CD2 3.72Å; I106-L123 HydrophobicContact CD1-CG 4.42Å; I106-L123 HydrophobicContact CG1-CD2 4.41Å; I106-L123 HydrophobicContact CG2-CD2 3.9Å; G120-L123 PolarHBondContact O-N 3.28Å; K121-L123 VanDerWaalsContact C-N 3.32Å; L123-V125 HydrophobicContact CD1-CG2 4.06Å; L123-V125 HydrophobicContact CD2-CG2 3.95Å; L123-V125 HydrophobicContact CG-CG2 3.79Å
124F96.8Very high94.7Very high56 Ų5664.5 Ų64.525%0.24634%0.336CS..EExtended strand (participates in β ladder)trans-118128.8170.3-57.6-80.5000108.1W16 Y54 V55 I56 V57 Y126 H133W16-F124 HydrophobicContact CH2-CD2 4.12Å; W16-F124 AromaticContact CH2-CE2 3.42Å; W16-F124 HydrophobicContact CH2-CE2 3.42Å; W16-F124 VanDerWaalsContact CH2-CE2 3.42Å; W16-F124 AromaticContact CH2-CZ 3.99Å; W16-F124 HydrophobicContact CH2-CZ 3.99Å; W16-F124 AromaticContact CZ3-CD2 3.65Å; W16-F124 HydrophobicContact CZ3-CD2 3.65Å; W16-F124 AromaticContact CZ3-CE2 3.44Å; W16-F124 HydrophobicContact CZ3-CE2 3.44Å; W16-F124 VanDerWaalsContact CZ3-CE2 3.44Å; W16-F124 HydrophobicContact CZ3-CZ 4.36Å; Y54-F124 AromaticContact CD1-CE2 3.9Å; Y54-F124 HydrophobicContact CD1-CE2 3.9Å; V55-F124 PolarHBondContact O-N 3.08Å; I56-F124 CarbonylContact C-O 3.58Å; I56-F124 VanDerWaalsContact CA-O 3.29Å; I56-F124 WeakPolarHBondContact CA-O 3.46Å; I56-F124 HydrophobicContact CG1-CB 4.24Å; I56-F124 HydrophobicContact CG1-CD2 4.37Å; V57-F124 PolarHBondContact N-O 2.95Å; F124-Y126 HydrophobicContact CB-CE2 3.98Å; F124-H133 AromaticContact CD1-NE2 3.64Å; F124-H133 AromaticContact CG-NE2 3.76Å
125V96.9Very high94.4Very high8 Ų858.6 Ų58.65%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-124.8134.6-178.6-172.60000108.6V57 A60 E99 I102 E103 L123V57-V125 HydrophobicContact CB-CG1 4.3Å; V57-V125 HydrophobicContact CB-CG2 4.39Å; V57-V125 WeakPolarHBondContact O-CA 3.48Å; A60-V125 HydrophobicContact CB-CG1 3.61Å; E99-V125 HydrophobicContact CB-CB 4.3Å; E99-V125 HydrophobicContact CB-CG1 4.21Å; E99-V125 HydrophobicContact CG-CB 4.47Å; E99-V125 HydrophobicContact CG-CG1 4.25Å; I102-V125 HydrophobicContact CB-CG1 4.05Å; I102-V125 HydrophobicContact CB-CG2 4.49Å; I102-V125 HydrophobicContact CD1-CG1 4.36Å; I102-V125 HydrophobicContact CG2-CG1 4.17Å; I102-V125 HydrophobicContact CG2-CG2 4.01Å; E103-V125 HydrophobicContact CG-CB 4.48Å; E103-V125 HydrophobicContact CG-CG2 3.89Å; L123-V125 HydrophobicContact CD1-CG2 4.06Å; L123-V125 HydrophobicContact CD2-CG2 3.95Å; L123-V125 HydrophobicContact CG-CG2 3.79Å
126Y96.7Very high94.2Very high51 Ų5161.6 Ų61.620%0.235%0.346CS..  trans-127.2134.8177.3-62.6-73000110.4I56 V57 N59 A60 F124 G128 H131 P132 H133I56-Y126 HydrophobicContact CG2-CD2 3.83Å; I56-Y126 HydrophobicContact CG2-CE2 3.92Å; V57-Y126 PolarHBondContact O-N 3.26Å; N59-Y126 PolarHBondContact N-O 3.27Å; A60-Y126 VanDerWaalsContact CB-O 3.31Å; A60-Y126 WeakPolarHBondContact CB-O 3.5Å; A60-Y126 PolarHBondContact N-O 2.87Å; F124-Y126 HydrophobicContact CB-CE2 3.98Å; Y126-G128 VanDerWaalsContact C-N 3.28Å; Y126-G128 PolarHBondContact O-N 3.3Å; Y126-H131 HydrophobicContact CD2-CB 3.56Å; Y126-H131 HydrophobicContact CE2-CB 3.53Å; Y126-H131 HydrophobicContact CG-CB 4.38Å; Y126-P132 HydrophobicContact CE1-CG 4.33Å; Y126-P132 VanDerWaalsContact OH-CD 3.29Å; Y126-P132 WeakPolarHBondContact OH-CD 3.33Å; Y126-P132 WeakPolarHBondContact OH-CG 3.44Å; Y126-H133 PolarHBondContact OH-CD2 2.82Å; Y126-H133 PolarHBondContact OH-NE2 3.43Å
127G92.5Very high94Very high15 Ų1569.4 Ų69.416%0.15538%0.382CS..SBendtrans-64.4-31176.800000114.1S61S61-G127 WeakPolarHBondContact CB-O 3.43Å; S61-G127 PolarHBondContact N-O 3.03Å; S61-G127 PolarHBondContact OG-O 3.1Å
128G94.1Very high93.9Very high40 Ų4064.9 Ų64.941%0.41236%0.363SS..SBendtrans-102.9-174.2-179.300000113.7N59 Y126 E130N59-G128 PolarHBondContact N-O 3.44Å; Y126-G128 VanDerWaalsContact C-N 3.28Å; Y126-G128 PolarHBondContact O-N 3.3Å; G128-E130 VanDerWaalsContact C-N 3.34Å
129A93Very high93.8Very high62 Ų6263.1 Ų63.151%0.51236%0.357SS..SBendtrans-78.8-15.4-177.100000114N59N59-A129 WeakPolarHBondContact OD1-CA 3.37Å; N59-A129 WeakPolarHBondContact OD1-CB 3.19Å; N59-A129 PolarHBondContact OD1-N 3.19Å
130E92.4Very high93.6Very high173 Ų17369.5 Ų69.581%0.80839%0.392SS*.  trans-103.2148.1-173.9-64.1-173.6169.400112.5G128G128-E130 VanDerWaalsContact C-N 3.34Å
131H92.2Very high93.5Very high48 Ų4871.4 Ų71.422%0.22240%0.397CS..  trans-134.1146.6172.761.261.2000110.8V18 I56 Y126 H133V18-H131 VanDerWaalsContact CG2-NE2 3.29Å; V18-H131 WeakPolarHBondContact CG2-NE2 3.44Å; I56-H131 HydrophobicContact CG2-CB 3.84Å; Y126-H131 HydrophobicContact CD2-CB 3.56Å; Y126-H131 HydrophobicContact CE2-CB 3.53Å; Y126-H131 HydrophobicContact CG-CB 4.38Å; H131-H133 PolarHBondContact ND1-N 3.07Å; H131-H133 PolarHBondContact O-N 3.39Å
132P94.2Very high93.2Very high96 Ų9672.8 Ų72.862%0.62341%0.406SS*.SBendtrans-75.1-3.2-17931.3-35.4000114.1Y126 A134Y126-P132 HydrophobicContact CE1-CG 4.33Å; Y126-P132 VanDerWaalsContact OH-CD 3.29Å; Y126-P132 WeakPolarHBondContact OH-CD 3.33Å; Y126-P132 WeakPolarHBondContact OH-CG 3.44Å; P132-A134 VanDerWaalsContact C-N 3.34Å; P132-A134 PolarHBondContact O-N 3.11Å
133H92.1Very high92.7Very high39 Ų3974 Ų7418%0.18141%0.413CS..  trans-89.326.3-169.6-60-60.3000115.8W16 I56 F124 Y126 H131 A135 Q136W16-H133 HydrophobicContact CZ3-CB 4.23Å; W16-H133 AromaticContact CZ3-CG 3.98Å; I56-H133 HydrophobicContact CD1-CB 3.66Å; F124-H133 AromaticContact CD1-NE2 3.64Å; F124-H133 AromaticContact CG-NE2 3.76Å; Y126-H133 PolarHBondContact OH-CD2 2.82Å; Y126-H133 PolarHBondContact OH-NE2 3.43Å; H131-H133 PolarHBondContact ND1-N 3.07Å; H131-H133 PolarHBondContact O-N 3.39Å; H133-A135 PolarHBondContact O-N 3.38Å; H133-A135 VanDerWaalsContact O-N 3.15Å; H133-Q136 PolarHBondContact O-N 3.45Å
134A87.7Confident91.8Very high73 Ų7384 Ų8460%0.60345%0.45SS*.G310 helixtrans-57-32.3-17900000113.5P132 Q136 Q137P132-A134 VanDerWaalsContact C-N 3.34Å; P132-A134 PolarHBondContact O-N 3.11Å; A134-Q136 PolarHBondContact O-N 2.83Å; A134-Q137 PolarHBondContact O-N 2.93Å; A134-Q137 VanDerWaalsContact O-N 3.16Å
135A90.7Very high90.5Very high94 Ų9485 Ų8578%0.77748%0.475SS*.G310 helixtrans-63.6-19.7178.900000114.3H133 Q137H133-A135 PolarHBondContact O-N 3.38Å; H133-A135 VanDerWaalsContact O-N 3.15Å; A135-Q137 VanDerWaalsContact C-N 3.3Å
136Q91Very high90.1Very high103 Ų10388.8 Ų88.848%0.48150%0.496SS..G310 helixtrans-86.3-1.8179.9-59.2-61.9-28.200113.1W16 H133 A134W16-Q136 HydrophobicContact CD2-CB 3.77Å; W16-Q136 HydrophobicContact CD2-CG 4.09Å; W16-Q136 HydrophobicContact CE3-CB 4.35Å; W16-Q136 HydrophobicContact CG-CB 3.85Å; W16-Q136 HydrophobicContact CH2-CG 4.21Å; W16-Q136 HydrophobicContact CZ2-CB 4.37Å; W16-Q136 HydrophobicContact CZ2-CG 3.76Å; H133-Q136 PolarHBondContact O-N 3.45Å; A134-Q136 PolarHBondContact O-N 2.83Å
137Q91.1Very high89.8Confident168 Ų16890.8 Ų90.879%0.78551%0.512SS*.  trans49.258.5-178.6-60.9-178.3-22.300112.9A134 A135A134-Q137 PolarHBondContact O-N 2.93Å; A134-Q137 VanDerWaalsContact O-N 3.16Å; A135-Q137 VanDerWaalsContact C-N 3.3Å
138P93.3Very high89.6Confident30 Ų3095 Ų9520%0.19553%0.532CS..PPolyproline II helixtrans-64141.8-179.426-32.6000112.4W16 V18 I56W16-P138 HydrophobicContact CB-CB 3.93Å; W16-P138 WeakPolarHBondContact O-CA 3.4Å; V18-P138 HydrophobicContact CB-CB 4.5Å; V18-P138 HydrophobicContact CG2-CB 3.48Å; V18-P138 VanDerWaalsContact CG2-CB 3.48Å; V18-P138 HydrophobicContact CG2-CG 3.7Å; I56-P138 HydrophobicContact CD1-CB 4.44Å
139E93.7Very high89.4Confident92 Ų9298.2 Ų98.243%0.4354%0.539SS..EExtended strand (participates in β ladder)trans-88.7136.9172.1-65.3174.7-168.300109.4K15 W16 Y17 V18 Y141K15-E139 IonicContact NZ-OE1 3.77Å; K15-E139 PolarHBondContact NZ-OE1 3.35Å; K15-E139 IonicContact NZ-OE2 2.83Å; K15-E139 PolarHBondContact NZ-OE2 3.19Å; W16-E139 PolarHBondContact O-N 3.31Å; Y17-E139 CarbonylContact C-O 3.52Å; Y17-E139 VanDerWaalsContact CA-O 3.23Å; Y17-E139 WeakPolarHBondContact CA-O 3.37Å; Y17-E139 HydrophobicContact CD1-CB 4.14Å; Y17-E139 HydrophobicContact CE1-CB 4.29Å; V18-E139 PolarHBondContact N-O 3.13Å; E139-Y141 PolarHBondContact O-N 2.91Å
140N92.7Very high89.2Confident140 Ų140100.5 Ų100.575%0.74954%0.54SS*.EExtended strand (participates in β ladder)trans-68.8132.9171.8-78.11.6000110
141Y91.8Very high88.9Confident46 Ų4695.7 Ų95.718%0.1852%0.522CS..  trans-117.1118.1178.3-172.9-84.6000110.5Y17 V18 I19 I36 E139Y17-Y141 AromaticContact CD1-CD2 3.92Å; Y17-Y141 HydrophobicContact CD1-CD2 3.92Å; Y17-Y141 HydrophobicContact CD1-CG 4.29Å; Y17-Y141 HydrophobicContact CE1-CD2 4.01Å; Y17-Y141 HydrophobicContact CG-CD2 4.28Å; Y17-Y141 HydrophobicContact CG-CG 4.44Å; V18-Y141 PolarHBondContact O-N 3.36Å; I19-Y141 HydrophobicContact CD1-CD1 4.09Å; I19-Y141 HydrophobicContact CG1-CD1 4.2Å; I36-Y141 HydrophobicContact CD1-CD1 3.89Å; I36-Y141 HydrophobicContact CD1-CD2 4.47Å; I36-Y141 HydrophobicContact CD1-CE1 3.6Å; I36-Y141 HydrophobicContact CD1-CE2 4.21Å; I36-Y141 HydrophobicContact CD1-CG 4.32Å; E139-Y141 PolarHBondContact O-N 2.91Å
142E89.9Confident88.7Confident175 Ų17599.1 Ų99.182%0.81854%0.544SS*.  trans-86.6133.6173.7-67-173.1169.500111
143L86.1Confident88.3Confident35 Ų3599.3 Ų99.318%0.18354%0.538CS..  trans-70142.6179.4-64.9167.3000110.8I19 Q24 L29 E32I19-L143 HydrophobicContact CG2-CD1 4.23Å; I19-L143 HydrophobicContact CG2-CD2 4.25Å; I19-L143 HydrophobicContact CG2-CG 4.21Å; Q24-L143 HydrophobicContact CB-CD1 4.42Å; Q24-L143 HydrophobicContact CG-CD1 3.78Å; L29-L143 HydrophobicContact CB-CD1 4.11Å; L29-L143 HydrophobicContact CD1-CD1 4.17Å; L29-L143 HydrophobicContact CG-CD1 4.14Å; E32-L143 HydrophobicContact CB-CD2 3.77Å; E32-L143 HydrophobicContact CG-CD2 4.29Å; E32-L143 VanDerWaalsContact OE2-CA 3.28Å; E32-L143 WeakPolarHBondContact OE2-CA 3.44Å; E32-L143 VanDerWaalsContact OE2-CD2 3.28Å; E32-L143 WeakPolarHBondContact OE2-CD2 3.31Å
144R79.5Confident88Confident221 Ų221104.3 Ų104.383%0.83457%0.567SS**  trans-82.5-17.7-176.8-69.6-174.5177.4179.8-1.3114.1E32E32-R144 VanDerWaalsContact CD-N 3.34Å; E32-R144 WeakPolarHBondContact OE1-CA 3.35Å; E32-R144 PolarHBondContact OE1-N 3.03Å; E32-R144 PolarHBondContact OE2-N 3.24Å
145G68.1Low88Confident75 Ų75107.2 Ų107.277%0.77356%0.564SS**  trans117.50167.100000115.5R28 E32R28-G145 WeakPolarHBondContact CD-OXT 3.4Å; R28-G145 PolarHBondContact NH1-OXT 3.29Å; E32-G145 PolarHBondContact OE1-N 3.43Å

Retrieved 145 of 145 residues in 117.6 ms (Link to these results)

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