A0A087XWB7_POEFO Loading...

Protein tyrosine phosphatase receptor type O

AlphaFold DB , UniProt , Accession A0A087XWB7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 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
1M40.3Very low74.9Confident243 Ų243123.5 Ų123.5100%1.19764%0.642SS**  092.40-68.1174.4-176.700105.8
2H50.2Low76.9Confident193 Ų193115.2 Ų115.289%0.89461%0.605SS**  trans-71129.9173.1-86-72.6000107.2D4H2-D4 PolarHBondContact O-N 3.45Å; H2-D4 VanDerWaalsContact O-N 3.09Å
3N48.2Very low78.6Confident126 Ų126111.2 Ų111.267%0.67458%0.584SS**  trans-71.2102.3-178.4-157.432.4000107.7E5N3-E5 PolarHBondContact ND2-OE2 3.49Å; N3-E5 PolarHBondContact O-N 2.84Å
4D66.4Low80Confident134 Ų134109.1 Ų109.172%0.71757%0.566SS**  trans-81.115.7-177.3-126.94.3000112.1H2 G6 A7H2-D4 PolarHBondContact O-N 3.45Å; H2-D4 VanDerWaalsContact O-N 3.09Å; D4-G6 PolarHBondContact O-N 2.94Å; D4-G6 VanDerWaalsContact O-N 3.09Å; D4-A7 WeakPolarHBondContact O-CB 3.37Å; D4-A7 PolarHBondContact O-N 3.3Å; D4-A7 VanDerWaalsContact OD1-CB 3.29Å; D4-A7 WeakPolarHBondContact OD1-CB 3.36Å
5E71.7Confident81.2Confident164 Ų164101.9 Ų101.977%0.76653%0.528SS*.THydrogen-bonded Turntrans-63.4111.1178-76.3-177.5148.500109.9N3N3-E5 PolarHBondContact ND2-OE2 3.49Å; N3-E5 PolarHBondContact O-N 2.84Å
6G78.3Confident82.2Confident45 Ų4596.8 Ų96.846%0.46450%0.503SS..THydrogen-bonded Turntrans93.26.7179.500000115.4D4 D8 Y9D4-G6 PolarHBondContact O-N 2.94Å; D4-G6 VanDerWaalsContact O-N 3.09Å; G6-D8 PolarHBondContact O-N 3.15Å; G6-Y9 WeakPolarHBondContact O-CB 3.41Å; G6-Y9 PolarHBondContact O-N 2.63Å
7A85.4Confident83.1Confident54 Ų5491.7 Ų91.745%0.44648%0.48SS..THydrogen-bonded Turntrans-66.1-15.9177.500000114.2D4D4-A7 WeakPolarHBondContact O-CB 3.37Å; D4-A7 PolarHBondContact O-N 3.3Å; D4-A7 VanDerWaalsContact OD1-CB 3.29Å; D4-A7 WeakPolarHBondContact OD1-CB 3.36Å
8D90.7Very high83.7Confident150 Ų15089.7 Ų89.780%0.80247%0.466SS*.THydrogen-bonded Turntrans-97.1-2.9174.767.3-20.8000113.4G6G6-D8 PolarHBondContact O-N 3.15Å
9Y96.5Very high83.9Confident154 Ų15492.6 Ų92.660%0.60447%0.47SS*.  trans-82.4131-175.3179.1-96.6000112.3G6 N11G6-Y9 WeakPolarHBondContact O-CB 3.41Å; G6-Y9 PolarHBondContact O-N 2.63Å; Y9-N11 HydrophobicContact CE1-CB 4.47Å
10I98.1Very high84.2Confident47 Ų4792.6 Ų92.624%0.24147%0.468CS..  trans-140.9143.8161.1-171.7166.1000108.5A12 D37 F38 M41I10-A12 HydrophobicContact CG2-CB 4.14Å; I10-A12 PolarHBondContact O-N 3.07Å; I10-D37 HydrophobicContact CD1-CB 4.19Å; I10-F38 HydrophobicContact CD1-CB 4.48Å; I10-M41 HydrophobicContact CD1-CB 3.99Å; I10-M41 HydrophobicContact CD1-CE 4.26Å; I10-M41 HydrophobicContact CD1-SD 3.91Å; I10-M41 HydrophobicContact CG2-SD 4.01Å
11N98.3Very high84.7Confident48 Ų4892.8 Ų92.826%0.25748%0.478SS..SBendtrans-76.774.3178.5-173.1-15.3000111.3Y9 T27 Q28 R192Y9-N11 HydrophobicContact CE1-CB 4.47Å; N11-T27 WeakPolarHBondContact O-CA 3.49Å; N11-T27 PolarHBondContact O-OG1 3.28Å; N11-T27 VanDerWaalsContact O-OG1 3.08Å; N11-Q28 HydrophobicContact CB-CG 4.08Å; N11-Q28 PolarHBondContact ND2-OE1 2.93Å; N11-Q28 PolarHBondContact O-N 3.24Å; N11-R192 PolarHBondContact OD1-NH1 2.95Å; N11-R192 PolarHBondContact OD1-NH2 2.96Å
12A98.6Very high87.2Confident24 Ų2486.9 Ų86.920%0.19845%0.446CS..EExtended strand (participates in β ladder)trans-142.2150.2179.200000111.3I10 I25 A26 M41I10-A12 HydrophobicContact CG2-CB 4.14Å; I10-A12 PolarHBondContact O-N 3.07Å; A12-I25 HydrophobicContact CB-CG2 3.76Å; A12-A26 CarbonylContact C-O 3.58Å; A12-A26 VanDerWaalsContact CA-O 3.23Å; A12-A26 WeakPolarHBondContact CA-O 3.34Å; A12-M41 HydrophobicContact CB-SD 3.74Å
13N98.7Very high89.5Confident63 Ų6378.2 Ų78.234%0.33741%0.405SS..EExtended strand (participates in β ladder)trans-133.5140174.1-62.193.9000109.9I15 I25 A26 H191 R192N13-I15 HydrophobicContact CB-CD1 4.2Å; N13-I25 CarbonylContact O-C 3.53Å; N13-I25 WeakPolarHBondContact O-CA 3.4Å; N13-A26 PolarHBondContact N-O 3.48Å; N13-A26 PolarHBondContact O-N 2.82Å; N13-H191 WeakPolarHBondContact CB-O 3.31Å; N13-H191 PolarHBondContact ND2-O 3.18Å; N13-R192 HydrophobicContact CB-CB 4.05Å; N13-R192 HydrophobicContact CB-CG 4.43Å; N13-R192 PolarHBondContact OD1-NH1 2.83Å
14Y98.6Very high91.9Very high83 Ų8372.2 Ų72.233%0.32537%0.373SS..EExtended strand (participates in β ladder)trans-65.4137.8163-69.2-76.1000109.9K22 Y24 I25 Q45 P148Y14-K22 HydrophobicContact CD1-CB 3.94Å; Y14-K22 HydrophobicContact CD1-CD 4.24Å; Y14-K22 HydrophobicContact CD1-CG 4.17Å; Y14-K22 HydrophobicContact CE1-CB 4.37Å; Y14-K22 HydrophobicContact CE1-CD 4.29Å; Y14-K22 HydrophobicContact CG-CD 4.37Å; Y14-K22 HydrophobicContact CG-CG 4.28Å; Y14-Y24 VanDerWaalsContact CA-O 3.3Å; Y14-Y24 WeakPolarHBondContact CA-O 3.49Å; Y14-I25 HydrophobicContact CD1-CD1 4.29Å; Y14-I25 HydrophobicContact CD1-CG1 3.61Å; Y14-I25 HydrophobicContact CE1-CD1 3.76Å; Y14-I25 HydrophobicContact CE1-CG1 3.62Å; Y14-Q45 PolarHBondContact OH-NE2 3.19Å; Y14-Q45 PolarHBondContact OH-OE1 2.99Å; Y14-P148 HydrophobicContact CE1-CG 4.23Å
15I98.3Very high93.5Very high0 Ų066.1 Ų66.10%034%0.34CS..EExtended strand (participates in β ladder)trans-125.5133.9173.3-44.3-67.3000108.3N13 Y24 A26 M164 M188 H191 R192 M195N13-I15 HydrophobicContact CB-CD1 4.2Å; I15-Y24 PolarHBondContact N-O 2.9Å; I15-Y24 PolarHBondContact O-N 3.24Å; I15-A26 HydrophobicContact CD1-CB 4.15Å; I15-A26 HydrophobicContact CG1-CB 3.67Å; I15-M164 HydrophobicContact CB-CE 3.38Å; I15-M164 HydrophobicContact CG1-CE 3.61Å; I15-M164 HydrophobicContact CG2-CE 3.57Å; I15-M188 HydrophobicContact CG2-CG 4.19Å; I15-H191 HydrophobicContact CD1-CB 3.67Å; I15-R192 HydrophobicContact CD1-CB 3.63Å; I15-M195 HydrophobicContact CG1-CE 4.44Å
16P97.8Very high94.7Very high20 Ų2058.3 Ų58.313%0.1330%0.304CS..  trans-60.5141.8171-23.434.3000111.8S21 R168 H191P16-S21 WeakPolarHBondContact CA-O 3.47Å; P16-R168 PolarHBondContact O-NH1 3.09Å; P16-H191 VanDerWaalsContact CG-CE1 3.49Å; P16-H191 WeakPolarHBondContact CG-CE1 3.46Å; P16-H191 WeakPolarHBondContact CG-NE2 3.46Å
17G96.1Very high95.7Very high11 Ų1156.2 Ų56.211%0.11328%0.282CS..  trans-107.2-160.4168.400000112.8H20 E23G17-H20 PolarHBondContact N-O 2.95Å; G17-E23 VanDerWaalsContact C-OE2 3.3Å; G17-E23 VanDerWaalsContact CA-OE2 3.24Å; G17-E23 WeakPolarHBondContact CA-OE2 3.45Å
18Y94.7Very high96.3Very high56 Ų5655.8 Ų55.822%0.2227%0.271CS..SBendtrans-75.1-34.5-177.8-172.4-107.8000111.6E23 Q171 H172 E175 H176Y18-E23 PolarHBondContact N-OE2 3.34Å; Y18-Q171 HydrophobicContact CD1-CB 3.57Å; Y18-Q171 HydrophobicContact CD1-CG 4.41Å; Y18-Q171 HydrophobicContact CD2-CB 4.4Å; Y18-Q171 HydrophobicContact CE1-CB 4Å; Y18-Q171 HydrophobicContact CG-CB 3.79Å; Y18-H172 HydrophobicContact CD2-CB 4.23Å; Y18-H172 HydrophobicContact CE2-CB 3.66Å; Y18-H172 AromaticContact CE2-ND1 3.63Å; Y18-E175 WeakPolarHBondContact CE1-OE2 3.48Å; Y18-E175 PolarHBondContact OH-OE2 3.39Å; Y18-H176 PolarHBondContact OH-CE1 3.35Å; Y18-H176 PolarHBondContact OH-ND1 3.47Å
19R87.4Confident96.7Very high145 Ų14548.8 Ų48.855%0.54723%0.234SC..SBendtrans-106.2-29.9-174.2-65.1-174.1169.9-161.3-7.1113E23R19-E23 PolarHBondContact N-OE2 3.35Å
20H90.4Very high96.8Very high92 Ų9241.6 Ų41.643%0.42621%0.206SC..  trans-135.1144.5-171.5-55.7-52.2000112.9G17 K22 E23G17-H20 PolarHBondContact N-O 2.95Å; H20-K22 PolarHBondContact O-N 3.36Å; H20-E23 HydrophobicContact CB-CB 4.07Å; H20-E23 PolarHBondContact N-OE2 3.16Å; H20-E23 WeakPolarHBondContact O-CB 3.24Å; H20-E23 PolarHBondContact O-N 3.49Å
21S93.3Very high96.8Very high97 Ų9742.5 Ų42.568%0.67821%0.212SC*.THydrogen-bonded Turntrans-70.7-16.1179.156.20000114.2P16P16-S21 WeakPolarHBondContact CA-O 3.47Å
22K94.6Very high96.8Very high119 Ų11943.6 Ų43.652%0.51722%0.221SC..THydrogen-bonded Turntrans-127.941.3176-63.7-172.1177.8-173.40111.4Y14 H20 Y24Y14-K22 HydrophobicContact CD1-CB 3.94Å; Y14-K22 HydrophobicContact CD1-CD 4.24Å; Y14-K22 HydrophobicContact CD1-CG 4.17Å; Y14-K22 HydrophobicContact CE1-CB 4.37Å; Y14-K22 HydrophobicContact CE1-CD 4.29Å; Y14-K22 HydrophobicContact CG-CD 4.37Å; Y14-K22 HydrophobicContact CG-CG 4.28Å; H20-K22 PolarHBondContact O-N 3.36Å; K22-Y24 VanDerWaalsContact C-N 3.31Å; K22-Y24 PolarHBondContact O-N 2.9Å
23E97.8Very high96.8Very high11 Ų1149 Ų495%0.05124%0.242CC..SBendtrans-69.6-29.8-175.9-162.7165.8160.200112.7G17 Y18 R19 H20 R139 P148 I149G17-E23 VanDerWaalsContact C-OE2 3.3Å; G17-E23 VanDerWaalsContact CA-OE2 3.24Å; G17-E23 WeakPolarHBondContact CA-OE2 3.45Å; Y18-E23 PolarHBondContact N-OE2 3.34Å; R19-E23 PolarHBondContact N-OE2 3.35Å; H20-E23 HydrophobicContact CB-CB 4.07Å; H20-E23 PolarHBondContact N-OE2 3.16Å; H20-E23 WeakPolarHBondContact O-CB 3.24Å; H20-E23 PolarHBondContact O-N 3.49Å; E23-R139 IonicContact OE1-CZ 3.9Å; E23-R139 IonicContact OE1-NH1 2.93Å; E23-R139 PolarHBondContact OE1-NH1 2.81Å; E23-R139 IonicContact OE1-NH2 3.44Å; E23-R139 PolarHBondContact OE1-NH2 3.27Å; E23-P148 WeakPolarHBondContact O-CA 3.44Å; E23-I149 PolarHBondContact O-N 2.83Å
24Y98.6Very high96.7Very high0 Ų047.7 Ų47.70%024%0.237CC..EExtended strand (participates in β ladder)trans-128.9156.3-178.4-47.6-84.1000112.6Y14 I15 K22 R139 I149 V151 M164 D167Y14-Y24 VanDerWaalsContact CA-O 3.3Å; Y14-Y24 WeakPolarHBondContact CA-O 3.49Å; I15-Y24 PolarHBondContact N-O 2.9Å; I15-Y24 PolarHBondContact O-N 3.24Å; K22-Y24 VanDerWaalsContact C-N 3.31Å; K22-Y24 PolarHBondContact O-N 2.9Å; Y24-R139 PolarHBondContact OH-NH2 3.4Å; Y24-I149 CarbonylContact C-O 3.59Å; Y24-I149 VanDerWaalsContact CA-O 3.26Å; Y24-I149 WeakPolarHBondContact CA-O 3.46Å; Y24-I149 HydrophobicContact CD1-CB 3.98Å; Y24-I149 HydrophobicContact CD1-CD1 4.16Å; Y24-I149 HydrophobicContact CE1-CD1 3.91Å; Y24-V151 HydrophobicContact CD1-CG2 4.01Å; Y24-M164 HydrophobicContact CD1-CE 4.21Å; Y24-M164 HydrophobicContact CD1-CG 4.32Å; Y24-M164 HydrophobicContact CD2-CE 3.39Å; Y24-M164 HydrophobicContact CE1-CG 4.48Å; Y24-M164 HydrophobicContact CE2-CE 4.12Å; Y24-M164 HydrophobicContact CG-CE 3.42Å; Y24-M164 VanDerWaalsContact CG-CE 3.42Å; Y24-M164 HydrophobicContact CG-CG 4.39Å; Y24-M164 HydrophobicContact CG-SD 4.49Å; Y24-D167 PolarHBondContact OH-OD2 3.08Å
25I98.9Very high96.7Very high5 Ų547 Ų473%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-118.7110.1161.9-64.4169.9000107.4A12 N13 Y14 M41 Q45 P148 I149 I150 V151A12-I25 HydrophobicContact CB-CG2 3.76Å; N13-I25 CarbonylContact O-C 3.53Å; N13-I25 WeakPolarHBondContact O-CA 3.4Å; Y14-I25 HydrophobicContact CD1-CD1 4.29Å; Y14-I25 HydrophobicContact CD1-CG1 3.61Å; Y14-I25 HydrophobicContact CE1-CD1 3.76Å; Y14-I25 HydrophobicContact CE1-CG1 3.62Å; I25-M41 HydrophobicContact CG2-CE 4.13Å; I25-M41 HydrophobicContact CG2-SD 3.83Å; I25-Q45 HydrophobicContact CD1-CB 3.88Å; I25-Q45 HydrophobicContact CD1-CG 3.63Å; I25-P148 HydrophobicContact CD1-CB 3.84Å; I25-P148 HydrophobicContact CD1-CG 4.34Å; I25-P148 HydrophobicContact CG1-CB 3.9Å; I25-I149 PolarHBondContact N-O 3.48Å; I25-I150 HydrophobicContact CB-CG1 4.09Å; I25-I150 HydrophobicContact CD1-CG1 4.33Å; I25-I150 HydrophobicContact CG2-CG1 4.48Å; I25-I150 WeakPolarHBondContact O-CA 3.32Å; I25-V151 PolarHBondContact O-N 2.97Å
26A98.8Very high96.7Very high0 Ų050.3 Ų50.30%025%0.251CS..EExtended strand (participates in β ladder)trans-87.7120.7173.700000109.6A12 N13 I15 V151 T160 M164 M195A12-A26 CarbonylContact C-O 3.58Å; A12-A26 VanDerWaalsContact CA-O 3.23Å; A12-A26 WeakPolarHBondContact CA-O 3.34Å; N13-A26 PolarHBondContact N-O 3.48Å; N13-A26 PolarHBondContact O-N 2.82Å; I15-A26 HydrophobicContact CD1-CB 4.15Å; I15-A26 HydrophobicContact CG1-CB 3.67Å; A26-V151 WeakPolarHBondContact CA-O 3.36Å; A26-T160 HydrophobicContact CB-CG2 3.81Å; A26-M164 HydrophobicContact CB-SD 4.32Å; A26-M195 HydrophobicContact CB-CE 4.2Å
27T98.8Very high96.8Very high2 Ų252.3 Ų52.31%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-131.5157.9-178-176.40000111.8N11 F38 M41 I150 V151 H152 G156N11-T27 WeakPolarHBondContact O-CA 3.49Å; N11-T27 PolarHBondContact O-OG1 3.28Å; N11-T27 VanDerWaalsContact O-OG1 3.08Å; T27-F38 HydrophobicContact CG2-CD2 4.3Å; T27-F38 HydrophobicContact CG2-CE2 3.87Å; T27-M41 HydrophobicContact CG2-CE 4.17Å; T27-I150 HydrophobicContact CG2-CG2 3.89Å; T27-V151 PolarHBondContact N-O 2.86Å; T27-V151 VanDerWaalsContact N-O 3.1Å; T27-H152 HydrophobicContact CG2-CB 3.71Å; T27-H152 WeakPolarHBondContact O-CA 3.49Å; T27-H152 WeakPolarHBondContact O-CB 3.38Å; T27-G156 WeakPolarHBondContact O-CA 3.42Å
28Q98.5Very high96.9Very high44 Ų4451.9 Ų51.921%0.20626%0.256CS..PPolyproline II helixtrans-65.4158.1166.972.3178.142.500110.9N11 S154N11-Q28 HydrophobicContact CB-CG 4.08Å; N11-Q28 PolarHBondContact ND2-OE1 2.93Å; N11-Q28 PolarHBondContact O-N 3.24Å; Q28-S154 WeakPolarHBondContact CA-O 3.24Å
29G98.6Very high97.1Very high3 Ų349.2 Ų49.23%0.03125%0.246CC..PPolyproline II helixtrans-59.4130166.200000109.6C153 S154G29-C153 WeakPolarHBondContact CA-O 3.26Å; G29-C153 PolarHBondContact N-O 2.94Å; G29-S154 PolarHBondContact N-O 3.44Å
30P98.6Very high97.6Very high3 Ų347 Ų472%0.01924%0.24CC..PPolyproline II helixtrans-54.1142.4180-31.238.3000112.6R35 F38 D65 Y67P30-R35 HydrophobicContact CB-CB 4.45Å; P30-F38 HydrophobicContact CB-CB 4.27Å; P30-F38 HydrophobicContact CB-CG 4.39Å; P30-F38 HydrophobicContact CG-CB 3.81Å; P30-F38 HydrophobicContact CG-CD1 3.93Å; P30-F38 HydrophobicContact CG-CD2 3.46Å; P30-F38 VanDerWaalsContact CG-CD2 3.46Å; P30-F38 HydrophobicContact CG-CE1 4.38Å; P30-F38 HydrophobicContact CG-CE2 3.93Å; P30-F38 HydrophobicContact CG-CG 3.44Å; P30-F38 VanDerWaalsContact CG-CG 3.44Å; P30-F38 HydrophobicContact CG-CZ 4.37Å; P30-D65 VanDerWaalsContact O-CB 3.24Å; P30-D65 WeakPolarHBondContact O-CB 3.35Å; P30-D65 PolarHBondContact O-N 2.89Å; P30-Y67 HydrophobicContact CB-CD1 3.97Å; P30-Y67 HydrophobicContact CB-CG 4.16Å; P30-Y67 HydrophobicContact CG-CD1 3.59Å; P30-Y67 HydrophobicContact CG-CE1 3.99Å; P30-Y67 HydrophobicContact CG-CG 3.9Å
31L98.3Very high98Very high67 Ų6743.2 Ų43.235%0.35122%0.222SC..PPolyproline II helixtrans-96.6161.6170.1-55.7174.1000109.2E33 T34 R35L31-E33 HydrophobicContact CB-CG 4.09Å; L31-E33 WeakPolarHBondContact CD1-OE1 3.38Å; L31-E33 PolarHBondContact O-N 3.49Å; L31-E33 VanDerWaalsContact O-N 3.09Å; L31-T34 WeakPolarHBondContact CB-OG1 3.45Å; L31-T34 PolarHBondContact N-OG1 2.98Å; L31-T34 PolarHBondContact O-N 3.35Å; L31-T34 PolarHBondContact O-OG1 3.49Å; L31-R35 PolarHBondContact O-N 3.45Å
32P97.9Very high98.2Very high70 Ų7038.6 Ų38.646%0.45519%0.19SC..THydrogen-bonded Turntrans-48.3-39.5174.6-31.838.5000114R35 D65P32-R35 VanDerWaalsContact CA-NH2 3.3Å; P32-R35 PolarHBondContact O-NE 3.48Å; P32-D65 HydrophobicContact CG-CB 4.41Å
33E97.3Very high98.4Very high137 Ų13734.1 Ų34.164%0.6417%0.172SC*.THydrogen-bonded Turntrans-81-16.1-179.458.6-90.9-152.600114.7L31L31-E33 HydrophobicContact CB-CG 4.09Å; L31-E33 WeakPolarHBondContact CD1-OE1 3.38Å; L31-E33 PolarHBondContact O-N 3.49Å; L31-E33 VanDerWaalsContact O-N 3.09Å
34T98.2Very high98.4Very high36 Ų3639.5 Ų39.522%0.22120%0.197CC..THydrogen-bonded Turntrans-116.81.2-176.751.90000113.8L31 N36 D37 F38L31-T34 WeakPolarHBondContact CB-OG1 3.45Å; L31-T34 PolarHBondContact N-OG1 2.98Å; L31-T34 PolarHBondContact O-N 3.35Å; L31-T34 PolarHBondContact O-OG1 3.49Å; T34-N36 PolarHBondContact O-N 3.48Å; T34-D37 PolarHBondContact O-N 3.27Å; T34-F38 PolarHBondContact O-N 3.17Å
35R98.4Very high98.3Very high69 Ų6942.2 Ų42.226%0.2621%0.209SC..Hα-helixtrans-60.2-32.8178.872.2178.496.7-161-1.8113.1P30 L31 P32 F38 W39 D65 Y77P30-R35 HydrophobicContact CB-CB 4.45Å; L31-R35 PolarHBondContact O-N 3.45Å; P32-R35 VanDerWaalsContact CA-NH2 3.3Å; P32-R35 PolarHBondContact O-NE 3.48Å; R35-F38 PolarHBondContact O-N 3.05Å; R35-W39 VanDerWaalsContact O-CD1 3.26Å; R35-W39 PolarHBondContact O-N 3.42Å; R35-D65 IonicContact CZ-OD1 3.22Å; R35-D65 IonicContact CZ-OD2 2.85Å; R35-D65 IonicContact NE-OD2 3.13Å; R35-D65 PolarHBondContact NE-OD2 3.3Å; R35-D65 IonicContact NH1-OD1 3.96Å; R35-D65 IonicContact NH1-OD2 2.98Å; R35-D65 PolarHBondContact NH1-OD2 2.88Å; R35-D65 IonicContact NH2-OD1 2.77Å; R35-D65 PolarHBondContact NH2-OD1 3.2Å; R35-D65 IonicContact NH2-OD2 2.72Å; R35-Y77 HydrophobicContact CB-CD1 4.47Å; R35-Y77 HydrophobicContact CG-CD1 3.92Å; R35-Y77 HydrophobicContact CG-CE1 4.35Å
36N98.4Very high98.2Very high70 Ų7048.3 Ų48.337%0.37424%0.236SC..Hα-helixtrans-69.9-45177.6-64.6-5.3000110.2T34 F38 W39 K40 Y77 G78T34-N36 PolarHBondContact O-N 3.48Å; N36-F38 VanDerWaalsContact C-N 3.27Å; N36-F38 PolarHBondContact O-N 3.16Å; N36-W39 PolarHBondContact O-N 3.18Å; N36-K40 WeakPolarHBondContact O-CB 3.4Å; N36-K40 PolarHBondContact O-N 2.92Å; N36-Y77 WeakPolarHBondContact OD1-CA 3.41Å; N36-G78 PolarHBondContact OD1-N 3.03Å
37D98.4Very high98.2Very high62 Ų6248.3 Ų48.333%0.33224%0.236SC..Hα-helixtrans-63-36.4176.6-54-42.7000111.5I10 T34 K40 M41I10-D37 HydrophobicContact CD1-CB 4.19Å; T34-D37 PolarHBondContact O-N 3.27Å; D37-K40 PolarHBondContact O-N 2.93Å; D37-M41 WeakPolarHBondContact O-CB 3.46Å; D37-M41 PolarHBondContact O-N 2.93Å
38F98.8Very high98.2Very high2 Ų249.5 Ų49.51%0.00924%0.244CC..Hα-helixtrans-59.8-51174.7177.9-92.9000112I10 T27 P30 T34 R35 N36 K40 M41 V42 I50 Y67 I150I10-F38 HydrophobicContact CD1-CB 4.48Å; T27-F38 HydrophobicContact CG2-CD2 4.3Å; T27-F38 HydrophobicContact CG2-CE2 3.87Å; P30-F38 HydrophobicContact CB-CB 4.27Å; P30-F38 HydrophobicContact CB-CG 4.39Å; P30-F38 HydrophobicContact CG-CB 3.81Å; P30-F38 HydrophobicContact CG-CD1 3.93Å; P30-F38 HydrophobicContact CG-CD2 3.46Å; P30-F38 VanDerWaalsContact CG-CD2 3.46Å; P30-F38 HydrophobicContact CG-CE1 4.38Å; P30-F38 HydrophobicContact CG-CE2 3.93Å; P30-F38 HydrophobicContact CG-CG 3.44Å; P30-F38 VanDerWaalsContact CG-CG 3.44Å; P30-F38 HydrophobicContact CG-CZ 4.37Å; T34-F38 PolarHBondContact O-N 3.17Å; R35-F38 PolarHBondContact O-N 3.05Å; N36-F38 VanDerWaalsContact C-N 3.27Å; N36-F38 PolarHBondContact O-N 3.16Å; F38-K40 VanDerWaalsContact C-N 3.32Å; F38-K40 PolarHBondContact O-N 3.48Å; F38-M41 HydrophobicContact CD2-CE 4.08Å; F38-M41 HydrophobicContact CE2-CE 4.23Å; F38-M41 WeakPolarHBondContact O-CB 3.12Å; F38-M41 PolarHBondContact O-N 3.43Å; F38-V42 HydrophobicContact CD1-CG2 4.14Å; F38-V42 HydrophobicContact CE1-CG2 3.79Å; F38-V42 HydrophobicContact CZ-CG2 4.14Å; F38-V42 WeakPolarHBondContact O-CG2 3.26Å; F38-V42 PolarHBondContact O-N 2.79Å; F38-I50 HydrophobicContact CE1-CD1 4.02Å; F38-I50 HydrophobicContact CZ-CD1 4.12Å; F38-I50 HydrophobicContact CZ-CG2 4.16Å; F38-Y67 AromaticContact CD1-CD2 3.95Å; F38-Y67 HydrophobicContact CD1-CD2 3.95Å; F38-Y67 HydrophobicContact CD1-CE2 4.08Å; F38-Y67 AromaticContact CE1-CD2 3.75Å; F38-Y67 HydrophobicContact CE1-CD2 3.75Å; F38-Y67 AromaticContact CE1-CE2 3.39Å; F38-Y67 HydrophobicContact CE1-CE2 3.39Å; F38-Y67 AromaticContact CE1-CZ 3.94Å; F38-Y67 AromaticContact CZ-CE2 3.97Å; F38-Y67 HydrophobicContact CZ-CE2 3.97Å; F38-I150 HydrophobicContact CE2-CG2 3.9Å; F38-I150 HydrophobicContact CZ-CG2 4.09Å
39W98.7Very high98.2Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-66.6-34.8177.7-74.1119.2000112.6R35 N36 M41 V42 L43 I50 Y67 W68 Y77 I80 V82 F98 L100R35-W39 VanDerWaalsContact O-CD1 3.26Å; R35-W39 PolarHBondContact O-N 3.42Å; N36-W39 PolarHBondContact O-N 3.18Å; W39-M41 VanDerWaalsContact C-N 3.32Å; W39-M41 PolarHBondContact O-N 2.9Å; W39-V42 HydrophobicContact CE3-CB 4.07Å; W39-V42 HydrophobicContact CE3-CG1 4.2Å; W39-V42 HydrophobicContact CE3-CG2 3.94Å; W39-V42 HydrophobicContact CZ3-CG1 4.26Å; W39-V42 HydrophobicContact CZ3-CG2 4.28Å; W39-V42 WeakPolarHBondContact O-CB 3.34Å; W39-V42 PolarHBondContact O-N 2.54Å; W39-L43 PolarHBondContact O-N 3.08Å; W39-I50 HydrophobicContact CH2-CD1 4.07Å; W39-I50 HydrophobicContact CZ3-CD1 3.78Å; W39-Y67 AromaticContact CE2-CD2 3.91Å; W39-Y67 HydrophobicContact CH2-CD2 4.48Å; W39-Y67 HydrophobicContact CH2-CE2 4.31Å; W39-Y67 AromaticContact CZ2-CD2 3.65Å; W39-Y67 HydrophobicContact CZ2-CD2 3.65Å; W39-Y67 AromaticContact CZ2-CE2 3.91Å; W39-Y67 HydrophobicContact CZ2-CE2 3.91Å; W39-Y67 AromaticContact NE1-CD2 3.98Å; W39-Y67 PolarHBondContact NE1-O 3.48Å; W39-W68 HydrophobicContact CZ2-CB 4.29Å; W39-Y77 AromaticContact CD1-CD1 3.69Å; W39-Y77 AromaticContact CD1-CD2 3.73Å; W39-Y77 AromaticContact CD1-CG 3.36Å; W39-Y77 HydrophobicContact CG-CG 4.35Å; W39-Y77 AromaticContact NE1-CD1 3.86Å; W39-Y77 AromaticContact NE1-CD2 3.73Å; W39-Y77 AromaticContact NE1-CE1 4Å; W39-Y77 AromaticContact NE1-CE2 3.87Å; W39-Y77 AromaticContact NE1-CG 3.72Å; W39-I80 HydrophobicContact CB-CD1 4.27Å; W39-I80 HydrophobicContact CB-CG2 4.5Å; W39-I80 WeakPolarHBondContact O-CD1 3.46Å; W39-V82 HydrophobicContact CD2-CG2 3.78Å; W39-V82 HydrophobicContact CE3-CG2 4.17Å; W39-V82 HydrophobicContact CG-CG2 4.08Å; W39-V82 HydrophobicContact CH2-CG1 4.04Å; W39-V82 HydrophobicContact CZ2-CG1 3.92Å; W39-V82 HydrophobicContact CZ2-CG2 4.21Å; W39-F98 AromaticContact CH2-CD2 3.82Å; W39-F98 HydrophobicContact CH2-CD2 3.82Å; W39-F98 HydrophobicContact CH2-CE2 4.1Å; W39-F98 HydrophobicContact CH2-CG 4.46Å; W39-L100 HydrophobicContact CE3-CD1 4.18Å; W39-L100 HydrophobicContact CE3-CD2 3.98Å; W39-L100 HydrophobicContact CE3-CG 4.32Å; W39-L100 HydrophobicContact CZ3-CD1 3.87Å; W39-L100 HydrophobicContact CZ3-CD2 4.34Å; W39-L100 HydrophobicContact CZ3-CG 4.49Å
40K98.2Very high98.2Very high99 Ų9947.6 Ų47.643%0.4323%0.234SC..Hα-helixtrans-59.4-43.9171.6-170177.4180-176.30111.4N36 D37 F38 L43 Q44 I80N36-K40 WeakPolarHBondContact O-CB 3.4Å; N36-K40 PolarHBondContact O-N 2.92Å; D37-K40 PolarHBondContact O-N 2.93Å; F38-K40 VanDerWaalsContact C-N 3.32Å; F38-K40 PolarHBondContact O-N 3.48Å; K40-L43 PolarHBondContact O-N 2.76Å; K40-Q44 HydrophobicContact CG-CG 4.42Å; K40-Q44 VanDerWaalsContact O-CB 3.31Å; K40-Q44 WeakPolarHBondContact O-CB 3.35Å; K40-Q44 WeakPolarHBondContact O-CG 3.31Å; K40-Q44 PolarHBondContact O-N 3.35Å; K40-I80 VanDerWaalsContact CA-CD1 3.48Å; K40-I80 HydrophobicContact CB-CD1 4.22Å
41M98.6Very high98.2Very high12 Ų1247.4 Ų47.46%0.05923%0.234CC..Hα-helixtrans-62.3-46.6173.5180-172.571.200111.5I10 A12 I25 T27 D37 F38 W39 L43 Q44 Q45 I150I10-M41 HydrophobicContact CD1-CB 3.99Å; I10-M41 HydrophobicContact CD1-CE 4.26Å; I10-M41 HydrophobicContact CD1-SD 3.91Å; I10-M41 HydrophobicContact CG2-SD 4.01Å; A12-M41 HydrophobicContact CB-SD 3.74Å; I25-M41 HydrophobicContact CG2-CE 4.13Å; I25-M41 HydrophobicContact CG2-SD 3.83Å; T27-M41 HydrophobicContact CG2-CE 4.17Å; D37-M41 WeakPolarHBondContact O-CB 3.46Å; D37-M41 PolarHBondContact O-N 2.93Å; F38-M41 HydrophobicContact CD2-CE 4.08Å; F38-M41 HydrophobicContact CE2-CE 4.23Å; F38-M41 WeakPolarHBondContact O-CB 3.12Å; F38-M41 PolarHBondContact O-N 3.43Å; W39-M41 VanDerWaalsContact C-N 3.32Å; W39-M41 PolarHBondContact O-N 2.9Å; M41-L43 VanDerWaalsContact C-N 3.32Å; M41-L43 PolarHBondContact O-N 3.05Å; M41-Q44 PolarHBondContact O-N 2.87Å; M41-Q45 HydrophobicContact CG-CG 3.92Å; M41-Q45 WeakPolarHBondContact O-CB 3.45Å; M41-Q45 WeakPolarHBondContact O-CG 3.45Å; M41-Q45 PolarHBondContact O-N 2.94Å; M41-I150 HydrophobicContact CE-CD1 3.81Å; M41-I150 HydrophobicContact CE-CG1 4.12Å; M41-I150 HydrophobicContact CE-CG2 4.21Å
42V98.6Very high98.2Very high0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-53.8-50.4178.1174.30000110.8F38 W39 K46 S47 I50 L100 V109 I150F38-V42 HydrophobicContact CD1-CG2 4.14Å; F38-V42 HydrophobicContact CE1-CG2 3.79Å; F38-V42 HydrophobicContact CZ-CG2 4.14Å; F38-V42 WeakPolarHBondContact O-CG2 3.26Å; F38-V42 PolarHBondContact O-N 2.79Å; W39-V42 HydrophobicContact CE3-CB 4.07Å; W39-V42 HydrophobicContact CE3-CG1 4.2Å; W39-V42 HydrophobicContact CE3-CG2 3.94Å; W39-V42 HydrophobicContact CZ3-CG1 4.26Å; W39-V42 HydrophobicContact CZ3-CG2 4.28Å; W39-V42 WeakPolarHBondContact O-CB 3.34Å; W39-V42 PolarHBondContact O-N 2.54Å; V42-K46 PolarHBondContact O-N 3.13Å; V42-S47 WeakPolarHBondContact CG1-O 3.3Å; V42-S47 PolarHBondContact O-N 2.89Å; V42-I50 HydrophobicContact CG1-CD1 4.3Å; V42-I50 HydrophobicContact CG2-CD1 3.84Å; V42-I50 HydrophobicContact CG2-CG1 4.41Å; V42-L100 HydrophobicContact CB-CD2 4.38Å; V42-L100 HydrophobicContact CG1-CD2 3.82Å; V42-V109 HydrophobicContact CG1-CG1 4.45Å; V42-V109 HydrophobicContact CG1-CG2 3.94Å; V42-I150 HydrophobicContact CB-CD1 4.1Å; V42-I150 HydrophobicContact CG2-CD1 3.49Å; V42-I150 VanDerWaalsContact CG2-CD1 3.49Å
43L97.9Very high98.2Very high24 Ų2440.9 Ų40.913%0.12620%0.195CC..Hα-helixtrans-65.1-51.4-179.7-173.674.2000112.1W39 K40 M41 Q45 K46 I80 L100 Y102 L107W39-L43 PolarHBondContact O-N 3.08Å; K40-L43 PolarHBondContact O-N 2.76Å; M41-L43 VanDerWaalsContact C-N 3.32Å; M41-L43 PolarHBondContact O-N 3.05Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 2.93Å; L43-K46 PolarHBondContact O-N 3.32Å; L43-I80 HydrophobicContact CB-CD1 3.96Å; L43-I80 HydrophobicContact CD2-CD1 3.82Å; L43-I80 HydrophobicContact CD2-CG1 4.07Å; L43-L100 HydrophobicContact CB-CD2 4.37Å; L43-L100 HydrophobicContact CD1-CB 4.49Å; L43-L100 HydrophobicContact CD1-CD2 4.44Å; L43-Y102 VanDerWaalsContact CD2-CB 3.44Å; L43-Y102 HydrophobicContact CD2-CD1 3.97Å; L43-Y102 HydrophobicContact CD2-CD2 4.31Å; L43-Y102 HydrophobicContact CD2-CG 3.65Å; L43-L107 HydrophobicContact CD1-CB 4.16Å; L43-L107 HydrophobicContact CD1-CD2 4.34Å
44Q97.1Very high98.1Very high125 Ų12534.4 Ų34.458%0.58417%0.165SC*.Hα-helixtrans-62.6-34.6-177.7-73.7177.5-1300112.8K40 M41K40-Q44 HydrophobicContact CG-CG 4.42Å; K40-Q44 VanDerWaalsContact O-CB 3.31Å; K40-Q44 WeakPolarHBondContact O-CB 3.35Å; K40-Q44 WeakPolarHBondContact O-CG 3.31Å; K40-Q44 PolarHBondContact O-N 3.35Å; M41-Q44 PolarHBondContact O-N 2.87Å
45Q97.8Very high97.9Very high56 Ų5637.3 Ų37.326%0.26218%0.176SC..THydrogen-bonded Turntrans-83.8-2.2177.7-60.9-59.4-37.400112.9Y14 I25 M41 L43 S47Y14-Q45 PolarHBondContact OH-NE2 3.19Å; Y14-Q45 PolarHBondContact OH-OE1 2.99Å; I25-Q45 HydrophobicContact CD1-CB 3.88Å; I25-Q45 HydrophobicContact CD1-CG 3.63Å; M41-Q45 HydrophobicContact CG-CG 3.92Å; M41-Q45 WeakPolarHBondContact O-CB 3.45Å; M41-Q45 WeakPolarHBondContact O-CG 3.45Å; M41-Q45 PolarHBondContact O-N 2.94Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 2.93Å; Q45-S47 PolarHBondContact O-N 2.86Å; Q45-S47 VanDerWaalsContact O-N 3.13Å
46K97.4Very high97.8Very high134 Ų13435 Ų3558%0.58317%0.17SC*.THydrogen-bonded Turntrans51.433.3-175.2-57.9-175.3176-172.50111.9V42 L43 S48 D147V42-K46 PolarHBondContact O-N 3.13Å; L43-K46 PolarHBondContact O-N 3.32Å; K46-S48 PolarHBondContact O-N 2.6Å; K46-S48 VanDerWaalsContact O-N 3.17Å; K46-D147 VanDerWaalsContact O-CB 3.23Å; K46-D147 WeakPolarHBondContact O-CB 3.18Å; K46-D147 VanDerWaalsContact O-CG 3.24Å
47S98.1Very high97.6Very high0 Ų036.1 Ų36.10%018%0.176CC..  trans-77.6108-174.9-173.60000109.4V42 Q45 I49 P148 I150V42-S47 WeakPolarHBondContact CG1-O 3.3Å; V42-S47 PolarHBondContact O-N 2.89Å; Q45-S47 PolarHBondContact O-N 2.86Å; Q45-S47 VanDerWaalsContact O-N 3.13Å; S47-I49 VanDerWaalsContact C-N 3.3Å; S47-I49 PolarHBondContact OG-O 3.5Å; S47-P148 VanDerWaalsContact CB-O 3.31Å; S47-P148 WeakPolarHBondContact CB-O 3.17Å; S47-P148 PolarHBondContact OG-O 2.84Å; S47-I150 VanDerWaalsContact CB-CD1 3.46Å; S47-I150 WeakPolarHBondContact OG-CD1 3.41Å; S47-I150 WeakPolarHBondContact OG-CG1 3.3Å
48S98.1Very high97.2Very high27 Ų2733.9 Ų33.919%0.18916%0.164CC..  trans-85.4-0.6178.4480000113.3K46 L110K46-S48 PolarHBondContact O-N 2.6Å; K46-S48 VanDerWaalsContact O-N 3.17Å; S48-L110 PolarHBondContact O-N 3.29Å
49I98.8Very high96.6Very high6 Ų640.7 Ų40.73%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-136.4124.4-177.4-55.3177.6000110.5S47 V51 L110 L112 V138 Q141 A142 T145 I149 I150S47-I49 VanDerWaalsContact C-N 3.3Å; S47-I49 PolarHBondContact OG-O 3.5Å; I49-V51 HydrophobicContact CG2-CG2 4.29Å; I49-L110 WeakPolarHBondContact CA-O 3.26Å; I49-L112 HydrophobicContact CG2-CD1 3.62Å; I49-V138 HydrophobicContact CG2-CG1 4.46Å; I49-Q141 HydrophobicContact CD1-CB 3.9Å; I49-A142 HydrophobicContact CD1-CB 4.24Å; I49-T145 HydrophobicContact CD1-CG2 4.19Å; I49-I149 HydrophobicContact CB-CG2 4.17Å; I49-I149 HydrophobicContact CG2-CG2 3.83Å; I49-I150 PolarHBondContact O-N 2.83Å
50I98.9Very high96.1Very high0 Ų052.7 Ų52.70%024%0.235CC..EExtended strand (participates in β ladder)trans-116.7129.1171.2-58.6169.4000109F38 W39 V42 V109 L110 H111 L112 I150F38-I50 HydrophobicContact CE1-CD1 4.02Å; F38-I50 HydrophobicContact CZ-CD1 4.12Å; F38-I50 HydrophobicContact CZ-CG2 4.16Å; W39-I50 HydrophobicContact CH2-CD1 4.07Å; W39-I50 HydrophobicContact CZ3-CD1 3.78Å; V42-I50 HydrophobicContact CG1-CD1 4.3Å; V42-I50 HydrophobicContact CG2-CD1 3.84Å; V42-I50 HydrophobicContact CG2-CG1 4.41Å; I50-V109 HydrophobicContact CD1-CG1 3.68Å; I50-V109 HydrophobicContact CG1-CG1 3.85Å; I50-L110 PolarHBondContact N-O 3.38Å; I50-H111 CarbonylContact O-C 3.57Å; I50-H111 WeakPolarHBondContact O-CA 3.45Å; I50-L112 PolarHBondContact O-N 2.96Å; I50-I150 CarbonylContact C-O 3.55Å; I50-I150 WeakPolarHBondContact CA-O 3.43Å; I50-I150 HydrophobicContact CG1-CB 4.31Å; I50-I150 HydrophobicContact CG2-CG2 4.37Å
51V98.9Very high95.7Very high0 Ų056.8 Ų56.80%025%0.247CC..EExtended strand (participates in β ladder)trans-111.7116.8174.5-177.80000109.4I49 L53 L112 F134 V138 I149 I150 V151 H152 F163I49-V51 HydrophobicContact CG2-CG2 4.29Å; V51-L53 HydrophobicContact CG1-CD2 3.91Å; V51-L53 HydrophobicContact CG1-CG 4.05Å; V51-L112 CarbonylContact C-O 3.46Å; V51-L112 WeakPolarHBondContact CA-O 3.23Å; V51-F134 HydrophobicContact CG1-CE1 3.78Å; V51-F134 HydrophobicContact CG1-CZ 4.15Å; V51-V138 HydrophobicContact CG2-CG1 3.73Å; V51-V138 HydrophobicContact CG2-CG2 3.99Å; V51-I149 HydrophobicContact CG2-CG2 3.85Å; V51-I150 PolarHBondContact N-O 2.84Å; V51-V151 HydrophobicContact CB-CB 4.45Å; V51-V151 HydrophobicContact CB-CG1 4.11Å; V51-V151 HydrophobicContact CB-CG2 4.25Å; V51-V151 HydrophobicContact CG1-CG1 4.22Å; V51-V151 HydrophobicContact CG2-CG2 4.49Å; V51-V151 WeakPolarHBondContact O-CA 3.33Å; V51-H152 PolarHBondContact O-N 2.83Å; V51-F163 HydrophobicContact CB-CE1 4.48Å; V51-F163 HydrophobicContact CG1-CD1 4.29Å; V51-F163 HydrophobicContact CG1-CD2 4.37Å; V51-F163 HydrophobicContact CG1-CE1 4.03Å; V51-F163 HydrophobicContact CG1-CE2 4.09Å; V51-F163 HydrophobicContact CG1-CG 4.48Å; V51-F163 HydrophobicContact CG1-CZ 3.93Å; V51-F163 HydrophobicContact CG2-CE1 4.23Å; V51-F163 HydrophobicContact CG2-CZ 4.17Å
52M98.6Very high95.5Very high0 Ų061.5 Ų61.50%028%0.276CS..EExtended strand (participates in β ladder)trans-111.6116.1-179.5177.4169.9177.200110.8T54 C64 Y67 W68 L112 N113 Y114 H152M52-T54 HydrophobicContact CE-CG2 4.06Å; M52-T54 WeakPolarHBondContact CE-O 3.43Å; M52-C64 HydrophobicContact CE-CB 4.22Å; M52-Y67 HydrophobicContact SD-CE1 4.1Å; M52-W68 HydrophobicContact CE-CH2 3.8Å; M52-W68 HydrophobicContact CE-CZ3 3.81Å; M52-W68 HydrophobicContact SD-CH2 3.91Å; M52-W68 HydrophobicContact SD-CZ3 3.68Å; M52-L112 PolarHBondContact N-O 2.82Å; M52-N113 HydrophobicContact CB-CB 4.11Å; M52-N113 HydrophobicContact CG-CB 4.44Å; M52-N113 WeakPolarHBondContact CG-ND2 3.42Å; M52-N113 CarbonylContact O-C 3.52Å; M52-N113 VanDerWaalsContact O-CA 3.26Å; M52-N113 WeakPolarHBondContact O-CA 3.34Å; M52-N113 PolarHBondContact O-ND2 2.71Å; M52-Y114 PolarHBondContact O-N 3.28Å; M52-H152 WeakPolarHBondContact CB-NE2 3.24Å; M52-H152 VanDerWaalsContact CG-CE1 3.4Å; M52-H152 WeakPolarHBondContact CG-CE1 3.43Å; M52-H152 WeakPolarHBondContact CG-NE2 3.2Å
53L97.3Very high95.4Very high0 Ų064.6 Ų64.60%029%0.29CS..  trans-109.332-172.4-56.8163.2000112.7V51 W117 F134 V151 H152 C153 R159 F163V51-L53 HydrophobicContact CG1-CD2 3.91Å; V51-L53 HydrophobicContact CG1-CG 4.05Å; L53-W117 HydrophobicContact CB-CE3 4.48Å; L53-W117 HydrophobicContact CD2-CE3 4.42Å; L53-W117 HydrophobicContact CD2-CZ3 4.33Å; L53-F134 HydrophobicContact CD2-CE1 4.01Å; L53-V151 HydrophobicContact CD1-CG1 3.9Å; L53-H152 PolarHBondContact N-O 2.8Å; L53-C153 HydrophobicContact CB-CB 4.16Å; L53-R159 HydrophobicContact CB-CB 3.98Å; L53-R159 HydrophobicContact CD1-CB 4.33Å; L53-R159 WeakPolarHBondContact CD1-O 3.49Å; L53-R159 WeakPolarHBondContact O-CD 3.37Å; L53-R159 PolarHBondContact O-NH1 3.49Å; L53-R159 VanDerWaalsContact O-NH1 3.08Å; L53-F163 HydrophobicContact CD1-CB 3.41Å; L53-F163 VanDerWaalsContact CD1-CB 3.41Å; L53-F163 HydrophobicContact CD1-CD1 4.49Å; L53-F163 HydrophobicContact CD1-CG 3.91Å; L53-F163 HydrophobicContact CD2-CB 4.21Å; L53-F163 HydrophobicContact CD2-CD2 3.98Å; L53-F163 HydrophobicContact CD2-CG 4.2Å; L53-F163 HydrophobicContact CG-CB 4.45Å
54T94.9Very high95.4Very high1 Ų163.6 Ų63.61%0.00629%0.285CS..SBendtrans-152154.3-179.8-160.70000109.5M52 E58 K63 C64 N113 R159M52-T54 HydrophobicContact CE-CG2 4.06Å; M52-T54 WeakPolarHBondContact CE-O 3.43Å; T54-E58 WeakPolarHBondContact CA-OE1 3.23Å; T54-E58 PolarHBondContact OG1-OE1 3.43Å; T54-K63 HydrophobicContact CG2-CB 4.39Å; T54-K63 WeakPolarHBondContact OG1-CB 3.48Å; T54-C64 HydrophobicContact CG2-CB 3.96Å; T54-N113 PolarHBondContact O-ND2 3.5Å; T54-R159 PolarHBondContact OG1-NH1 3.44Å
55Q94.4Very high95.5Very high96 Ų9659 Ų5945%0.44926%0.264SS..  trans-84.4153.9161.3-60-177.435.100108.9N57 E58 K63 T115Q55-N57 PolarHBondContact O-N 2.98Å; Q55-E58 HydrophobicContact CB-CG 4.12Å; Q55-E58 PolarHBondContact N-OE1 3.38Å; Q55-E58 VanDerWaalsContact N-OE1 3.09Å; Q55-K63 WeakPolarHBondContact O-CB 3.39Å; Q55-T115 PolarHBondContact NE2-O 2.86Å
56C95.9Very high95.5Very high20 Ų2058.4 Ų58.414%0.13526%0.261CS..SBendtrans-58.3-33.3178.6-63.30000112.5K63 C64 W68C56-K63 PolarHBondContact O-N 2.85Å; C56-C64 WeakPolarHBondContact CA-O 3.48Å; C56-C64 VanDerWaalsContact CB-O 3.26Å; C56-C64 WeakPolarHBondContact CB-O 3.37Å; C56-C64 PolarHBondContact O-N 2.72Å; C56-W68 WeakPolarHBondContact SG-CH2 3.4Å
57N93.6Very high95.5Very high94 Ų9452 Ų5250%0.50323%0.234SC..EExtended strand (participates in β ladder)trans-129129.6176.4-68-73.8000110.3Q55 R61Q55-N57 PolarHBondContact O-N 2.98Å; N57-R61 WeakPolarHBondContact CA-O 3.44Å
58E89.9Confident95.6Very high15 Ų1552.4 Ų52.47%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-131.8124.9176.2-71.4173.9-165.700108.2T54 Q55 R60 R61 K63 R159T54-E58 WeakPolarHBondContact CA-OE1 3.23Å; T54-E58 PolarHBondContact OG1-OE1 3.43Å; Q55-E58 HydrophobicContact CB-CG 4.12Å; Q55-E58 PolarHBondContact N-OE1 3.38Å; Q55-E58 VanDerWaalsContact N-OE1 3.09Å; E58-R60 PolarHBondContact O-N 2.88Å; E58-R61 PolarHBondContact N-O 3.26Å; E58-R61 WeakPolarHBondContact O-CB 3.48Å; E58-R61 PolarHBondContact O-N 2.66Å; E58-K63 HydrophobicContact CB-CD 4.46Å; E58-K63 HydrophobicContact CB-CG 3.84Å; E58-K63 HydrophobicContact CG-CG 3.95Å; E58-K63 WeakPolarHBondContact OE2-CE 3.29Å; E58-R159 IonicContact OE1-CZ 3.53Å; E58-R159 IonicContact OE1-NH1 3.26Å; E58-R159 PolarHBondContact OE1-NH1 3.39Å; E58-R159 IonicContact OE1-NH2 3.64Å; E58-R159 IonicContact OE2-CZ 2.94Å; E58-R159 IonicContact OE2-NH1 3.47Å; E58-R159 PolarHBondContact OE2-NH1 3Å; E58-R159 IonicContact OE2-NH2 2.66Å; E58-R159 PolarHBondContact OE2-NH2 2.98Å
59R85.9Confident95.6Very high145 Ų14551.2 Ų51.255%0.54723%0.227SC..THydrogen-bonded Turntrans4943.3-176.7-55.9-175.3173.5-179.42.5114R61 D119 H120R59-R61 PolarHBondContact O-N 2.54Å; R59-D119 WeakPolarHBondContact CD-OD2 3.24Å; R59-D119 WeakPolarHBondContact CG-OD2 3.34Å; R59-D119 IonicContact CZ-OD2 3.47Å; R59-D119 IonicContact NE-OD2 3.62Å; R59-D119 PolarHBondContact NE-OD2 2.68Å; R59-D119 IonicContact NH2-OD2 3.39Å; R59-H120 PolarHBondContact NH1-CD2 3.01Å; R59-H120 PolarHBondContact NH1-NE2 3.49Å; R59-H120 PolarHBondContact NH2-CD2 3.44Å
60R88.3Confident95.4Very high253 Ų25358.6 Ų58.696%0.95526%0.259SS*.THydrogen-bonded Turntrans63.116.3-178-48.1176.9178.9-177.1-2.1114.1E58E58-R60 PolarHBondContact O-N 2.88Å
61R90.9Very high95.3Very high185 Ų18562.1 Ų62.170%0.69828%0.281SS*.EExtended strand (participates in β ladder)trans-107.8131.6170.7-63-174.2179.5-172.70.9109N57 E58 R59 K63N57-R61 WeakPolarHBondContact CA-O 3.44Å; E58-R61 PolarHBondContact N-O 3.26Å; E58-R61 WeakPolarHBondContact O-CB 3.48Å; E58-R61 PolarHBondContact O-N 2.66Å; R59-R61 PolarHBondContact O-N 2.54Å; R61-K63 PolarHBondContact O-N 3.06Å
62V94.4Very high95Very high110 Ų11067.5 Ų67.567%0.66731%0.309SS*.EExtended strand (participates in β ladder)trans-65.6130.8171.4-177.30000108.5
63K96.1Very high94.9Very high65 Ų6573.6 Ų73.628%0.28334%0.338SS..  trans-114-33.1178.1-64.5-60.2-170.5170.60112.2T54 Q55 C56 E58 R61 S154T54-K63 HydrophobicContact CG2-CB 4.39Å; T54-K63 WeakPolarHBondContact OG1-CB 3.48Å; Q55-K63 WeakPolarHBondContact O-CB 3.39Å; C56-K63 PolarHBondContact O-N 2.85Å; E58-K63 HydrophobicContact CB-CD 4.46Å; E58-K63 HydrophobicContact CB-CG 3.84Å; E58-K63 HydrophobicContact CG-CG 3.95Å; E58-K63 WeakPolarHBondContact OE2-CE 3.29Å; R61-K63 PolarHBondContact O-N 3.06Å; K63-S154 WeakPolarHBondContact O-CA 3.28Å; K63-S154 VanDerWaalsContact O-CB 3.28Å; K63-S154 WeakPolarHBondContact O-CB 3.37Å; K63-S154 PolarHBondContact O-OG 3.29Å
64C97.9Very high94.9Very high3 Ų377 Ų772%0.0236%0.36CS..SBendtrans-156.7141.3-175.8-172.80000108.1M52 T54 C56M52-C64 HydrophobicContact CE-CB 4.22Å; T54-C64 HydrophobicContact CG2-CB 3.96Å; C56-C64 WeakPolarHBondContact CA-O 3.48Å; C56-C64 VanDerWaalsContact CB-O 3.26Å; C56-C64 WeakPolarHBondContact CB-O 3.37Å; C56-C64 PolarHBondContact O-N 2.72Å
65D98.3Very high95.1Very high28 Ų2879.4 Ų79.415%0.1537%0.374CS..  trans-63.5151.1165.9-176.364.7000110P30 P32 R35 Y67P30-D65 VanDerWaalsContact O-CB 3.24Å; P30-D65 WeakPolarHBondContact O-CB 3.35Å; P30-D65 PolarHBondContact O-N 2.89Å; P32-D65 HydrophobicContact CG-CB 4.41Å; R35-D65 IonicContact CZ-OD1 3.22Å; R35-D65 IonicContact CZ-OD2 2.85Å; R35-D65 IonicContact NE-OD2 3.13Å; R35-D65 PolarHBondContact NE-OD2 3.3Å; R35-D65 IonicContact NH1-OD1 3.96Å; R35-D65 IonicContact NH1-OD2 2.98Å; R35-D65 PolarHBondContact NH1-OD2 2.88Å; R35-D65 IonicContact NH2-OD1 2.77Å; R35-D65 PolarHBondContact NH2-OD1 3.2Å; R35-D65 IonicContact NH2-OD2 2.72Å; D65-Y67 WeakPolarHBondContact O-CD1 3.42Å; D65-Y67 PolarHBondContact O-N 3.31Å
66H98.3Very high95.3Very high44 Ų4480.2 Ų80.220%0.20438%0.38CS..  trans-79.679.8169.1-170.8-72.9000108.7W68 F70H66-W68 AromaticContact CD2-CE2 3.62Å; H66-W68 AromaticContact CD2-CH2 3.79Å; H66-W68 AromaticContact CD2-CZ2 3.36Å; H66-W68 WeakPolarHBondContact CD2-CZ2 3.23Å; H66-W68 AromaticContact CE1-CD1 3.45Å; H66-W68 VanDerWaalsContact CE1-CD1 3.45Å; H66-W68 AromaticContact CE1-CD2 3.7Å; H66-W68 AromaticContact CE1-CE2 3.31Å; H66-W68 AromaticContact CE1-CG 3.79Å; H66-W68 AromaticContact CE1-CZ2 3.89Å; H66-W68 AromaticContact CE1-NE1 3.12Å; H66-W68 PolarHBondContact CE1-NE1 2.98Å; H66-W68 PolarHBondContact CE1-O 3.03Å; H66-W68 AromaticContact ND1-CD2 3.88Å; H66-W68 AromaticContact ND1-CE2 3.86Å; H66-W68 PolarHBondContact ND1-O 3.13Å; H66-W68 AromaticContact NE2-CD1 3.96Å; H66-W68 AromaticContact NE2-CD2 3.96Å; H66-W68 AromaticContact NE2-CE2 3.14Å; H66-W68 AromaticContact NE2-CZ2 3.26Å; H66-W68 VanDerWaalsContact NE2-CZ2 3.26Å; H66-W68 WeakPolarHBondContact NE2-CZ2 3.49Å; H66-W68 AromaticContact NE2-NE1 3.14Å; H66-W68 PolarHBondContact NE2-NE1 3.24Å; H66-W68 VanDerWaalsContact NE2-NE1 3.14Å; H66-W68 PolarHBondContact O-N 2.77Å; H66-F70 HydrophobicContact CB-CE1 4.3Å; H66-F70 HydrophobicContact CB-CZ 3.89Å; H66-F70 AromaticContact CD2-CE1 3.58Å; H66-F70 AromaticContact CE1-CD1 3.5Å; H66-F70 AromaticContact CE1-CE1 3.44Å; H66-F70 VanDerWaalsContact CE1-CE1 3.44Å; H66-F70 WeakPolarHBondContact CE1-CE1 3.2Å; H66-F70 AromaticContact CE1-CG 3.95Å; H66-F70 AromaticContact CE1-CZ 3.84Å; H66-F70 AromaticContact CG-CE1 3.57Å; H66-F70 AromaticContact CG-CZ 3.54Å; H66-F70 AromaticContact ND1-CD1 3.97Å; H66-F70 AromaticContact ND1-CE1 3.51Å; H66-F70 AromaticContact ND1-CE2 3.82Å; H66-F70 AromaticContact ND1-CZ 3.42Å; H66-F70 WeakPolarHBondContact ND1-CZ 3.18Å; H66-F70 AromaticContact NE2-CD1 3.69Å; H66-F70 AromaticContact NE2-CE1 3.49Å; H66-F70 WeakPolarHBondContact NE2-CE1 3.31Å
67Y98.6Very high95.4Very high0 Ų080 Ų800%038%0.376CS..  trans-79.77.7-169.963.2-96.5000114.3P30 F38 W39 M52 D65 Y77 H111 H152P30-Y67 HydrophobicContact CB-CD1 3.97Å; P30-Y67 HydrophobicContact CB-CG 4.16Å; P30-Y67 HydrophobicContact CG-CD1 3.59Å; P30-Y67 HydrophobicContact CG-CE1 3.99Å; P30-Y67 HydrophobicContact CG-CG 3.9Å; F38-Y67 AromaticContact CD1-CD2 3.95Å; F38-Y67 HydrophobicContact CD1-CD2 3.95Å; F38-Y67 HydrophobicContact CD1-CE2 4.08Å; F38-Y67 AromaticContact CE1-CD2 3.75Å; F38-Y67 HydrophobicContact CE1-CD2 3.75Å; F38-Y67 AromaticContact CE1-CE2 3.39Å; F38-Y67 HydrophobicContact CE1-CE2 3.39Å; F38-Y67 AromaticContact CE1-CZ 3.94Å; F38-Y67 AromaticContact CZ-CE2 3.97Å; F38-Y67 HydrophobicContact CZ-CE2 3.97Å; W39-Y67 AromaticContact CE2-CD2 3.91Å; W39-Y67 HydrophobicContact CH2-CD2 4.48Å; W39-Y67 HydrophobicContact CH2-CE2 4.31Å; W39-Y67 AromaticContact CZ2-CD2 3.65Å; W39-Y67 HydrophobicContact CZ2-CD2 3.65Å; W39-Y67 AromaticContact CZ2-CE2 3.91Å; W39-Y67 HydrophobicContact CZ2-CE2 3.91Å; W39-Y67 AromaticContact NE1-CD2 3.98Å; W39-Y67 PolarHBondContact NE1-O 3.48Å; M52-Y67 HydrophobicContact SD-CE1 4.1Å; D65-Y67 WeakPolarHBondContact O-CD1 3.42Å; D65-Y67 PolarHBondContact O-N 3.31Å; Y67-Y77 WeakPolarHBondContact O-CE1 3.23Å; Y67-Y77 PolarHBondContact O-OH 3.4Å; Y67-H111 AromaticContact CZ-NE2 3.73Å; Y67-H111 PolarHBondContact OH-CD2 2.88Å; Y67-H111 PolarHBondContact OH-NE2 2.84Å; Y67-H152 AromaticContact CE1-CE1 3.66Å; Y67-H152 AromaticContact CE1-NE2 3.55Å; Y67-H152 AromaticContact CZ-NE2 3.53Å; Y67-H152 PolarHBondContact OH-NE2 2.85Å
68W98.7Very high95.5Very high8 Ų877.5 Ų77.53%0.0337%0.373CS..SBendtrans-121.2165.2178.866.694000111.7W39 M52 C56 H66 Y77 F98W39-W68 HydrophobicContact CZ2-CB 4.29Å; M52-W68 HydrophobicContact CE-CH2 3.8Å; M52-W68 HydrophobicContact CE-CZ3 3.81Å; M52-W68 HydrophobicContact SD-CH2 3.91Å; M52-W68 HydrophobicContact SD-CZ3 3.68Å; C56-W68 WeakPolarHBondContact SG-CH2 3.4Å; H66-W68 AromaticContact CD2-CE2 3.62Å; H66-W68 AromaticContact CD2-CH2 3.79Å; H66-W68 AromaticContact CD2-CZ2 3.36Å; H66-W68 WeakPolarHBondContact CD2-CZ2 3.23Å; H66-W68 AromaticContact CE1-CD1 3.45Å; H66-W68 VanDerWaalsContact CE1-CD1 3.45Å; H66-W68 AromaticContact CE1-CD2 3.7Å; H66-W68 AromaticContact CE1-CE2 3.31Å; H66-W68 AromaticContact CE1-CG 3.79Å; H66-W68 AromaticContact CE1-CZ2 3.89Å; H66-W68 AromaticContact CE1-NE1 3.12Å; H66-W68 PolarHBondContact CE1-NE1 2.98Å; H66-W68 PolarHBondContact CE1-O 3.03Å; H66-W68 AromaticContact ND1-CD2 3.88Å; H66-W68 AromaticContact ND1-CE2 3.86Å; H66-W68 PolarHBondContact ND1-O 3.13Å; H66-W68 AromaticContact NE2-CD1 3.96Å; H66-W68 AromaticContact NE2-CD2 3.96Å; H66-W68 AromaticContact NE2-CE2 3.14Å; H66-W68 AromaticContact NE2-CZ2 3.26Å; H66-W68 VanDerWaalsContact NE2-CZ2 3.26Å; H66-W68 WeakPolarHBondContact NE2-CZ2 3.49Å; H66-W68 AromaticContact NE2-NE1 3.14Å; H66-W68 PolarHBondContact NE2-NE1 3.24Å; H66-W68 VanDerWaalsContact NE2-NE1 3.14Å; H66-W68 PolarHBondContact O-N 2.77Å; W68-Y77 WeakPolarHBondContact CA-OH 3.4Å; W68-Y77 PolarHBondContact N-OH 3.01Å; W68-Y77 PolarHBondContact O-OH 3.28Å; W68-F98 HydrophobicContact CB-CE1 4.07Å; W68-F98 HydrophobicContact CB-CE2 4.19Å; W68-F98 HydrophobicContact CB-CZ 3.56Å; W68-F98 AromaticContact CD1-CZ 3.88Å; W68-F98 HydrophobicContact CG-CE1 4.45Å; W68-F98 AromaticContact CG-CZ 3.8Å; W68-F98 HydrophobicContact CG-CZ 3.8Å
69P98.3Very high95.9Very high2 Ų282.6 Ų82.61%0.01340%0.401CS..  trans-58.6146.7178-25.634.5000113.4T71 V75 V82P69-T71 WeakPolarHBondContact CB-O 3.47Å; P69-V75 HydrophobicContact CB-CG2 3.87Å; P69-V75 HydrophobicContact CG-CB 4.13Å; P69-V75 HydrophobicContact CG-CG2 3.99Å; P69-V82 HydrophobicContact CG-CB 4.37Å; P69-V82 HydrophobicContact CG-CG1 4.15Å; P69-V82 WeakPolarHBondContact CG-O 3.23Å
70F96.1Very high96.5Very high162 Ų16276 Ų7671%0.71138%0.376SS*.SBendtrans-86.4-16.2172.3-68.4-82000113.1H66H66-F70 HydrophobicContact CB-CE1 4.3Å; H66-F70 HydrophobicContact CB-CZ 3.89Å; H66-F70 AromaticContact CD2-CE1 3.58Å; H66-F70 AromaticContact CE1-CD1 3.5Å; H66-F70 AromaticContact CE1-CE1 3.44Å; H66-F70 VanDerWaalsContact CE1-CE1 3.44Å; H66-F70 WeakPolarHBondContact CE1-CE1 3.2Å; H66-F70 AromaticContact CE1-CG 3.95Å; H66-F70 AromaticContact CE1-CZ 3.84Å; H66-F70 AromaticContact CG-CE1 3.57Å; H66-F70 AromaticContact CG-CZ 3.54Å; H66-F70 AromaticContact ND1-CD1 3.97Å; H66-F70 AromaticContact ND1-CE1 3.51Å; H66-F70 AromaticContact ND1-CE2 3.82Å; H66-F70 AromaticContact ND1-CZ 3.42Å; H66-F70 WeakPolarHBondContact ND1-CZ 3.18Å; H66-F70 AromaticContact NE2-CD1 3.69Å; H66-F70 AromaticContact NE2-CE1 3.49Å; H66-F70 WeakPolarHBondContact NE2-CE1 3.31Å
71T95.8Very high96.9Very high74 Ų7465.7 Ų65.745%0.45434%0.342SS..SBendtrans-132.9177.3-175.155.30000109.3P69 E73P69-T71 WeakPolarHBondContact CB-O 3.47Å; T71-E73 VanDerWaalsContact C-N 3.29Å
72D92.4Very high97.3Very high112 Ų11256.9 Ų56.960%0.59931%0.309SS*.SBendtrans-69.3-24.6170.552.8-8.9000113.2
73E97.2Very high97.5Very high128 Ų12855 Ų5560%0.59829%0.293SS*.SBendtrans-55.7126.7173.8-65.7-65.9163.200112.7T71T71-E73 VanDerWaalsContact C-N 3.29Å
74P97.5Very high97.6Very high71 Ų7153 Ų5346%0.46129%0.285SS..  trans-59.8138.3177.6-22.631.2000113.2V82 E83P74-V82 WeakPolarHBondContact CA-O 3.45Å; P74-E83 HydrophobicContact CB-CB 4.21Å; P74-E83 HydrophobicContact CG-CB 4.05Å; P74-E83 HydrophobicContact CG-CG 4Å
75V98.5Very high97.7Very high52 Ų5256.4 Ų56.432%0.31530%0.303SS..EExtended strand (participates in β ladder)trans-117.3137.8177.7-179.20000110.5P69 Y77 V82P69-V75 HydrophobicContact CB-CG2 3.87Å; P69-V75 HydrophobicContact CG-CB 4.13Å; P69-V75 HydrophobicContact CG-CG2 3.99Å; V75-Y77 HydrophobicContact CB-CE2 3.85Å; V75-Y77 HydrophobicContact CG1-CD2 4.38Å; V75-Y77 HydrophobicContact CG1-CE2 3.78Å; V75-V82 PolarHBondContact N-O 3.18Å; V75-V82 PolarHBondContact O-N 3.25Å
76M98.3Very high97.7Very high114 Ų11456.7 Ų56.756%0.56231%0.307SS*.EExtended strand (participates in β ladder)trans-86.2127.6175.8-64.9-58-6000111.6G78 S81M76-G78 WeakPolarHBondContact CE-O 3.43Å; M76-S81 VanDerWaalsContact SD-CB 3.55Å
77Y98.1Very high97.7Very high14 Ų1459.7 Ų59.76%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-116.985.4171.6-64.1-87.7000109R35 N36 W39 Y67 W68 V75 D79 I80 V82R35-Y77 HydrophobicContact CB-CD1 4.47Å; R35-Y77 HydrophobicContact CG-CD1 3.92Å; R35-Y77 HydrophobicContact CG-CE1 4.35Å; N36-Y77 WeakPolarHBondContact OD1-CA 3.41Å; W39-Y77 AromaticContact CD1-CD1 3.69Å; W39-Y77 AromaticContact CD1-CD2 3.73Å; W39-Y77 AromaticContact CD1-CG 3.36Å; W39-Y77 HydrophobicContact CG-CG 4.35Å; W39-Y77 AromaticContact NE1-CD1 3.86Å; W39-Y77 AromaticContact NE1-CD2 3.73Å; W39-Y77 AromaticContact NE1-CE1 4Å; W39-Y77 AromaticContact NE1-CE2 3.87Å; W39-Y77 AromaticContact NE1-CG 3.72Å; Y67-Y77 WeakPolarHBondContact O-CE1 3.23Å; Y67-Y77 PolarHBondContact O-OH 3.4Å; W68-Y77 WeakPolarHBondContact CA-OH 3.4Å; W68-Y77 PolarHBondContact N-OH 3.01Å; W68-Y77 PolarHBondContact O-OH 3.28Å; V75-Y77 HydrophobicContact CB-CE2 3.85Å; V75-Y77 HydrophobicContact CG1-CD2 4.38Å; V75-Y77 HydrophobicContact CG1-CE2 3.78Å; Y77-D79 PolarHBondContact O-N 3.38Å; Y77-I80 PolarHBondContact N-O 3.07Å; Y77-I80 PolarHBondContact O-N 3.39Å; Y77-V82 HydrophobicContact CD2-CB 3.91Å; Y77-V82 HydrophobicContact CD2-CG2 3.54Å; Y77-V82 HydrophobicContact CE2-CB 3.84Å; Y77-V82 HydrophobicContact CE2-CG2 3.94Å
78G96.5Very high97.6Very high42 Ų4265.3 Ų65.343%0.43335%0.347SS..THydrogen-bonded Turntrans67.2-123.1-164.600000109.8N36 M76N36-G78 PolarHBondContact OD1-N 3.03Å; M76-G78 WeakPolarHBondContact CE-O 3.43Å
79D97Very high97.3Very high123 Ų12368.1 Ų68.166%0.65838%0.379SS*.THydrogen-bonded Turntrans-90.9-1-179.3-56.8-38.5000113.6Y77 Y102Y77-D79 PolarHBondContact O-N 3.38Å; D79-Y102 HydrophobicContact CB-CD2 4.03Å; D79-Y102 HydrophobicContact CB-CE2 3.68Å; D79-Y102 WeakPolarHBondContact O-CD2 3.46Å
80I98.6Very high96.9Very high7 Ų769.9 Ų69.94%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-102.1122.8-176.7-61.4173000109.2W39 K40 L43 Y77 V82 L100 G101 Y102W39-I80 HydrophobicContact CB-CD1 4.27Å; W39-I80 HydrophobicContact CB-CG2 4.5Å; W39-I80 WeakPolarHBondContact O-CD1 3.46Å; K40-I80 VanDerWaalsContact CA-CD1 3.48Å; K40-I80 HydrophobicContact CB-CD1 4.22Å; L43-I80 HydrophobicContact CB-CD1 3.96Å; L43-I80 HydrophobicContact CD2-CD1 3.82Å; L43-I80 HydrophobicContact CD2-CG1 4.07Å; Y77-I80 PolarHBondContact N-O 3.07Å; Y77-I80 PolarHBondContact O-N 3.39Å; I80-V82 HydrophobicContact CG2-CG2 4.21Å; I80-L100 HydrophobicContact CG2-CB 4.29Å; I80-L100 HydrophobicContact CG2-CD2 4.32Å; I80-L100 HydrophobicContact CG2-CG 4.05Å; I80-G101 WeakPolarHBondContact CA-O 3.48Å; I80-Y102 HydrophobicContact CG1-CD2 4.07Å
81S98.5Very high96.5Very high35 Ų3567.1 Ų67.125%0.24539%0.39CS..EExtended strand (participates in β ladder)trans-82138.2167.264.90000109.7M76 L100 G101M76-S81 VanDerWaalsContact SD-CB 3.55Å; S81-L100 CarbonylContact O-C 3.56Å; S81-L100 VanDerWaalsContact O-CA 3.24Å; S81-L100 WeakPolarHBondContact O-CA 3.28Å; S81-G101 PolarHBondContact N-O 3.23Å; S81-G101 PolarHBondContact O-N 3.09Å; S81-G101 VanDerWaalsContact OG-CA 3.27Å; S81-G101 WeakPolarHBondContact OG-CA 3.4Å; S81-G101 PolarHBondContact OG-N 2.83Å; S81-G101 PolarHBondContact OG-O 2.94Å
82V98.8Very high96.4Very high0 Ų066.5 Ų66.50%038%0.382CS..EExtended strand (participates in β ladder)trans-125.6117.9173.6-177.60000107.9W39 P69 P74 V75 Y77 I80 F98 L100W39-V82 HydrophobicContact CD2-CG2 3.78Å; W39-V82 HydrophobicContact CE3-CG2 4.17Å; W39-V82 HydrophobicContact CG-CG2 4.08Å; W39-V82 HydrophobicContact CH2-CG1 4.04Å; W39-V82 HydrophobicContact CZ2-CG1 3.92Å; W39-V82 HydrophobicContact CZ2-CG2 4.21Å; P69-V82 HydrophobicContact CG-CB 4.37Å; P69-V82 HydrophobicContact CG-CG1 4.15Å; P69-V82 WeakPolarHBondContact CG-O 3.23Å; P74-V82 WeakPolarHBondContact CA-O 3.45Å; V75-V82 PolarHBondContact N-O 3.18Å; V75-V82 PolarHBondContact O-N 3.25Å; Y77-V82 HydrophobicContact CD2-CB 3.91Å; Y77-V82 HydrophobicContact CD2-CG2 3.54Å; Y77-V82 HydrophobicContact CE2-CB 3.84Å; Y77-V82 HydrophobicContact CE2-CG2 3.94Å; I80-V82 HydrophobicContact CG2-CG2 4.21Å; V82-F98 HydrophobicContact CG1-CB 4.16Å; V82-F98 HydrophobicContact CG1-CD1 4.16Å; V82-F98 HydrophobicContact CG1-CG 4.15Å; V82-L100 HydrophobicContact CG1-CD1 4.37Å; V82-L100 HydrophobicContact CG2-CD1 4.36Å; V82-L100 HydrophobicContact CG2-CG 4.28Å
83E98.6Very high96.5Very high70 Ų7062.2 Ų62.233%0.32736%0.357SS..EExtended strand (participates in β ladder)trans-109.9134177.6179.8-175.7-163.900109.5P74 L85 F98 R99P74-E83 HydrophobicContact CB-CB 4.21Å; P74-E83 HydrophobicContact CG-CB 4.05Å; P74-E83 HydrophobicContact CG-CG 4Å; E83-L85 HydrophobicContact CG-CD2 4Å; E83-F98 CarbonylContact O-C 3.44Å; E83-F98 WeakPolarHBondContact O-CA 3.49Å; E83-R99 HydrophobicContact CB-CB 4.42Å; E83-R99 PolarHBondContact N-O 2.94Å; E83-R99 PolarHBondContact O-N 3.4Å
84M98.7Very high96.5Very high24 Ų2458 Ų5812%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-92.4106.1174.3-173.5167.260.200110.5E87 R96 F98M84-E87 HydrophobicContact SD-CB 4.19Å; M84-R96 HydrophobicContact SD-CG 4.21Å; M84-F98 HydrophobicContact CB-CD1 3.98Å; M84-F98 HydrophobicContact CB-CE1 3.88Å; M84-F98 HydrophobicContact CG-CD1 4.12Å; M84-F98 HydrophobicContact CG-CE1 3.77Å; M84-F98 HydrophobicContact SD-CE1 4Å
85L98.6Very high96.6Very high75 Ų7556.3 Ų56.339%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-78.9-34.6-177.6-57.7-178000112.8E83 K97 R99E83-L85 HydrophobicContact CG-CD2 4Å; L85-K97 HydrophobicContact CB-CB 4.25Å; L85-K97 PolarHBondContact N-O 3.1Å; L85-R99 HydrophobicContact CD1-CB 4.03Å; L85-R99 HydrophobicContact CD2-CB 4.17Å; L85-R99 HydrophobicContact CG-CB 4.13Å
86S98.4Very high96.6Very high33 Ų3354.5 Ų54.523%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-159.3150.5178.2680000111.4R96 K97S86-R96 CarbonylContact O-C 3.59Å; S86-R96 VanDerWaalsContact O-CA 3.27Å; S86-R96 WeakPolarHBondContact O-CA 3.43Å; S86-K97 PolarHBondContact O-N 3.36Å; S86-K97 WeakPolarHBondContact OG-CD 3.42Å; S86-K97 WeakPolarHBondContact OG-CG 3.4Å
87E98.1Very high96.6Very high107 Ų10753.7 Ų53.750%0.531%0.306SS..EExtended strand (participates in β ladder)trans-132.3125.5169.7-179.6178.68400108.8M84 I94 I95 R96M84-E87 HydrophobicContact SD-CB 4.19Å; E87-I94 HydrophobicContact CG-CG2 3.68Å; E87-I95 WeakPolarHBondContact CA-O 3.33Å; E87-R96 HydrophobicContact CB-CG 4.2Å; E87-R96 HydrophobicContact CG-CG 3.96Å; E87-R96 IonicContact OE2-CZ 3.62Å; E87-R96 IonicContact OE2-NE 2.77Å; E87-R96 PolarHBondContact OE2-NE 3.15Å; E87-R96 IonicContact OE2-NH2 2.74Å; E87-R96 PolarHBondContact OE2-NH2 3.09Å
88E96.7Very high96.7Very high118 Ų11853.1 Ų53.155%0.55130%0.303SS*.EExtended strand (participates in β ladder)trans-126.6121178.4-66.4173.7-150.400108.8I95E88-I95 PolarHBondContact N-O 3.25Å; E88-I95 PolarHBondContact O-N 3.34Å
89G92Very high96.8Very high68 Ų6855.5 Ų55.570%0.70130%0.3SS*.EExtended strand (participates in β ladder)trans-105.1139.8-178.400000113.3
90S89.9Confident96.8Very high39 Ų3949.7 Ų49.727%0.27327%0.268SS..  trans-112.6172.6157870000109.5E92 W93S90-E92 PolarHBondContact O-N 3.21Å; S90-E92 PolarHBondContact OG-N 3.06Å; S90-E92 PolarHBondContact OG-OE2 2.83Å; S90-E92 VanDerWaalsContact OG-OE2 3.1Å; S90-W93 PolarHBondContact N-O 3.27Å; S90-W93 PolarHBondContact OG-N 3.09Å; S90-W93 VanDerWaalsContact OG-N 3.16Å; S90-W93 PolarHBondContact OG-NE1 2.84Å; S90-W93 PolarHBondContact OG-O 3.08Å
91P88.9Confident96.8Very high104 Ų10450 Ų5068%0.67527%0.273SS*.SBendtrans-59.7-26.5174.2-21.531.8000113.8S116P91-S116 PolarHBondContact O-OG 3.15Å
92E92.4Very high96.8Very high61 Ų6153.4 Ų53.429%0.28528%0.282SS..SBendtrans-107.6-21-171.1-51.378.5-170.800115.2S90 Y114 T115 S116S90-E92 PolarHBondContact O-N 3.21Å; S90-E92 PolarHBondContact OG-N 3.06Å; S90-E92 PolarHBondContact OG-OE2 2.83Å; S90-E92 VanDerWaalsContact OG-OE2 3.1Å; E92-Y114 HydrophobicContact CB-CE2 4.3Å; E92-Y114 WeakPolarHBondContact O-CD2 3.38Å; E92-T115 VanDerWaalsContact C-OG1 3.26Å; E92-T115 PolarHBondContact O-N 3.02Å; E92-T115 PolarHBondContact O-OG1 2.88Å; E92-T115 VanDerWaalsContact O-OG1 3.1Å; E92-S116 WeakPolarHBondContact CA-OG 3.25Å; E92-S116 PolarHBondContact O-N 3.18Å
93W95.7Very high96.5Very high22 Ų2257.9 Ų57.98%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-153.6163.2177.355.574.4000112.6S90 N113 Y114 Q133 F134 I137S90-W93 PolarHBondContact N-O 3.27Å; S90-W93 PolarHBondContact OG-N 3.09Å; S90-W93 VanDerWaalsContact OG-N 3.16Å; S90-W93 PolarHBondContact OG-NE1 2.84Å; S90-W93 PolarHBondContact OG-O 3.08Å; W93-N113 CarbonylContact C-O 3.6Å; W93-N113 WeakPolarHBondContact CA-O 3.47Å; W93-N113 WeakPolarHBondContact CB-O 3.37Å; W93-Y114 HydrophobicContact CB-CD2 4.43Å; W93-Y114 HydrophobicContact CE3-CD2 4.11Å; W93-Y114 HydrophobicContact CE3-CE2 4.15Å; W93-Q133 HydrophobicContact CH2-CB 4.24Å; W93-Q133 HydrophobicContact CH2-CG 3.83Å; W93-Q133 HydrophobicContact CZ3-CB 4.49Å; W93-F134 HydrophobicContact CB-CD2 3.75Å; W93-F134 HydrophobicContact CB-CE2 3.75Å; W93-F134 AromaticContact CD2-CD2 3.81Å; W93-F134 HydrophobicContact CD2-CD2 3.81Å; W93-F134 HydrophobicContact CE3-CB 3.93Å; W93-F134 AromaticContact CE3-CD2 3.84Å; W93-F134 HydrophobicContact CE3-CD2 3.84Å; W93-F134 HydrophobicContact CE3-CG 4.33Å; W93-F134 AromaticContact CG-CD2 3.77Å; W93-F134 HydrophobicContact CG-CD2 3.77Å; W93-F134 HydrophobicContact CG-CE2 4.1Å; W93-F134 HydrophobicContact CZ3-CB 4.18Å; W93-I137 HydrophobicContact CH2-CD1 4.05Å; W93-I137 HydrophobicContact CZ2-CD1 3.45Å; W93-I137 VanDerWaalsContact CZ2-CD1 3.45Å
94I97.7Very high96.3Very high40 Ų4062.6 Ų62.621%0.20535%0.346CS..EExtended strand (participates in β ladder)trans-122.7134.9173.1-56169.9000107.8E87 R96 N113 T115E87-I94 HydrophobicContact CG-CG2 3.68Å; I94-R96 HydrophobicContact CG2-CG 4.23Å; I94-N113 PolarHBondContact N-O 3.4Å; I94-N113 PolarHBondContact O-N 3.09Å; I94-T115 HydrophobicContact CD1-CG2 4.05Å; I94-T115 HydrophobicContact CG1-CG2 4.17Å
95I98.4Very high96.1Very high35 Ų3567.7 Ų67.718%0.17937%0.37CS..EExtended strand (participates in β ladder)trans-112.8125175.5-59178.3000108.2E87 E88 L110 H111 L112 I137E87-I95 WeakPolarHBondContact CA-O 3.33Å; E88-I95 PolarHBondContact N-O 3.25Å; E88-I95 PolarHBondContact O-N 3.34Å; I95-L110 HydrophobicContact CG2-CD1 3.53Å; I95-L110 HydrophobicContact CG2-CG 4.29Å; I95-H111 CarbonylContact C-O 3.6Å; I95-H111 WeakPolarHBondContact CA-O 3.41Å; I95-L112 HydrophobicContact CD1-CD2 4.33Å; I95-L112 HydrophobicContact CG1-CD2 4.35Å; I95-I137 HydrophobicContact CD1-CG2 4.43Å
96R98.6Very high96Very high13 Ų1369 Ų695%0.04938%0.381CS..EExtended strand (participates in β ladder)trans-118.5145.1174.5-58.7174.6179.889.55.9110.4M84 S86 E87 I94 F98 H111M84-R96 HydrophobicContact SD-CG 4.21Å; S86-R96 CarbonylContact O-C 3.59Å; S86-R96 VanDerWaalsContact O-CA 3.27Å; S86-R96 WeakPolarHBondContact O-CA 3.43Å; E87-R96 HydrophobicContact CB-CG 4.2Å; E87-R96 HydrophobicContact CG-CG 3.96Å; E87-R96 IonicContact OE2-CZ 3.62Å; E87-R96 IonicContact OE2-NE 2.77Å; E87-R96 PolarHBondContact OE2-NE 3.15Å; E87-R96 IonicContact OE2-NH2 2.74Å; E87-R96 PolarHBondContact OE2-NH2 3.09Å; I94-R96 HydrophobicContact CG2-CG 4.23Å; R96-F98 HydrophobicContact CB-CE1 3.96Å; R96-F98 HydrophobicContact CB-CE2 4.11Å; R96-F98 HydrophobicContact CB-CZ 3.68Å; R96-F98 HydrophobicContact CG-CZ 4.24Å; R96-H111 HydrophobicContact CB-CB 4.16Å; R96-H111 PolarHBondContact N-O 3.33Å; R96-H111 PolarHBondContact O-N 2.87Å
97K98.8Very high96Very high98 Ų9869 Ų6943%0.42638%0.378SS..EExtended strand (participates in β ladder)trans-108.7123.3168.1-66.2178.6-169.9158.30108L85 S86 L110L85-K97 HydrophobicContact CB-CB 4.25Å; L85-K97 PolarHBondContact N-O 3.1Å; S86-K97 PolarHBondContact O-N 3.36Å; S86-K97 WeakPolarHBondContact OG-CD 3.42Å; S86-K97 WeakPolarHBondContact OG-CG 3.4Å; K97-L110 HydrophobicContact CG-CD1 3.89Å
98F98.9Very high96Very high1 Ų167.8 Ų67.80%0.00438%0.375CS..EExtended strand (participates in β ladder)trans-109.7147.4174.9-58.7-54.1000110.4W39 W68 V82 E83 M84 R96 L100 D108 V109 H111W39-F98 AromaticContact CH2-CD2 3.82Å; W39-F98 HydrophobicContact CH2-CD2 3.82Å; W39-F98 HydrophobicContact CH2-CE2 4.1Å; W39-F98 HydrophobicContact CH2-CG 4.46Å; W68-F98 HydrophobicContact CB-CE1 4.07Å; W68-F98 HydrophobicContact CB-CE2 4.19Å; W68-F98 HydrophobicContact CB-CZ 3.56Å; W68-F98 AromaticContact CD1-CZ 3.88Å; W68-F98 HydrophobicContact CG-CE1 4.45Å; W68-F98 AromaticContact CG-CZ 3.8Å; W68-F98 HydrophobicContact CG-CZ 3.8Å; V82-F98 HydrophobicContact CG1-CB 4.16Å; V82-F98 HydrophobicContact CG1-CD1 4.16Å; V82-F98 HydrophobicContact CG1-CG 4.15Å; E83-F98 CarbonylContact O-C 3.44Å; E83-F98 WeakPolarHBondContact O-CA 3.49Å; M84-F98 HydrophobicContact CB-CD1 3.98Å; M84-F98 HydrophobicContact CB-CE1 3.88Å; M84-F98 HydrophobicContact CG-CD1 4.12Å; M84-F98 HydrophobicContact CG-CE1 3.77Å; M84-F98 HydrophobicContact SD-CE1 4Å; R96-F98 HydrophobicContact CB-CE1 3.96Å; R96-F98 HydrophobicContact CB-CE2 4.11Å; R96-F98 HydrophobicContact CB-CZ 3.68Å; R96-F98 HydrophobicContact CG-CZ 4.24Å; F98-L100 HydrophobicContact CB-CD1 4.13Å; F98-D108 CarbonylContact O-C 3.57Å; F98-D108 WeakPolarHBondContact O-CA 3.43Å; F98-V109 HydrophobicContact CB-CB 4.39Å; F98-V109 PolarHBondContact N-O 3.25Å; F98-V109 PolarHBondContact O-N 2.94Å; F98-H111 HydrophobicContact CD2-CB 3.82Å; F98-H111 HydrophobicContact CE2-CB 3.35Å; F98-H111 AromaticContact CE2-CG 3.7Å; F98-H111 HydrophobicContact CZ-CB 4.27Å
99R98.7Very high96.1Very high93 Ų9362.3 Ų62.335%0.35135%0.35SS..EExtended strand (participates in β ladder)trans-111.7120.9162177.5160.1-69.4163.12.3108.7E83 L85 D108E83-R99 HydrophobicContact CB-CB 4.42Å; E83-R99 PolarHBondContact N-O 2.94Å; E83-R99 PolarHBondContact O-N 3.4Å; L85-R99 HydrophobicContact CD1-CB 4.03Å; L85-R99 HydrophobicContact CD2-CB 4.17Å; L85-R99 HydrophobicContact CG-CB 4.13Å; R99-D108 IonicContact CZ-OD1 3.09Å; R99-D108 IonicContact CZ-OD2 3.78Å; R99-D108 IonicContact NE-OD1 2.72Å; R99-D108 PolarHBondContact NE-OD1 3.1Å; R99-D108 IonicContact NH2-OD1 2.68Å; R99-D108 PolarHBondContact NH2-OD1 2.87Å; R99-D108 VanDerWaalsContact NH2-OD1 3.13Å; R99-D108 IonicContact NH2-OD2 3.43Å; R99-D108 PolarHBondContact NH2-OD2 3.46Å
100L98.6Very high96.4Very high0 Ų060.4 Ų60.40%032%0.323CS..EExtended strand (participates in β ladder)trans-89.5138.1170.9-81.557.9000108.6W39 V42 L43 I80 S81 V82 F98 T106 L107 V109W39-L100 HydrophobicContact CE3-CD1 4.18Å; W39-L100 HydrophobicContact CE3-CD2 3.98Å; W39-L100 HydrophobicContact CE3-CG 4.32Å; W39-L100 HydrophobicContact CZ3-CD1 3.87Å; W39-L100 HydrophobicContact CZ3-CD2 4.34Å; W39-L100 HydrophobicContact CZ3-CG 4.49Å; V42-L100 HydrophobicContact CB-CD2 4.38Å; V42-L100 HydrophobicContact CG1-CD2 3.82Å; L43-L100 HydrophobicContact CB-CD2 4.37Å; L43-L100 HydrophobicContact CD1-CB 4.49Å; L43-L100 HydrophobicContact CD1-CD2 4.44Å; I80-L100 HydrophobicContact CG2-CB 4.29Å; I80-L100 HydrophobicContact CG2-CD2 4.32Å; I80-L100 HydrophobicContact CG2-CG 4.05Å; S81-L100 CarbonylContact O-C 3.56Å; S81-L100 VanDerWaalsContact O-CA 3.24Å; S81-L100 WeakPolarHBondContact O-CA 3.28Å; V82-L100 HydrophobicContact CG1-CD1 4.37Å; V82-L100 HydrophobicContact CG2-CD1 4.36Å; V82-L100 HydrophobicContact CG2-CG 4.28Å; F98-L100 HydrophobicContact CB-CD1 4.13Å; L100-T106 CarbonylContact O-C 3.51Å; L100-T106 WeakPolarHBondContact O-CA 3.39Å; L100-L107 HydrophobicContact CB-CB 4.26Å; L100-L107 HydrophobicContact CD2-CD2 4.45Å; L100-L107 PolarHBondContact N-O 3.48Å; L100-L107 PolarHBondContact O-N 3.2Å; L100-V109 HydrophobicContact CD1-CB 4.22Å; L100-V109 HydrophobicContact CD1-CG2 3.72Å; L100-V109 HydrophobicContact CD2-CG2 4.17Å
101G98.1Very high96.9Very high14 Ų1458.5 Ų58.514%0.14431%0.31CS..EExtended strand (participates in β ladder)trans-121.5134.7168.300000111I80 S81I80-G101 WeakPolarHBondContact CA-O 3.48Å; S81-G101 PolarHBondContact N-O 3.23Å; S81-G101 PolarHBondContact O-N 3.09Å; S81-G101 VanDerWaalsContact OG-CA 3.27Å; S81-G101 WeakPolarHBondContact OG-CA 3.4Å; S81-G101 PolarHBondContact OG-N 2.83Å; S81-G101 PolarHBondContact OG-O 2.94Å
102Y97.4Very high97.3Very high106 Ų10653.6 Ų53.642%0.41628%0.278SS..EExtended strand (participates in β ladder)trans-147.2115.9171.7177.3-100.4000109.2L43 D79 I80 D104 E105L43-Y102 VanDerWaalsContact CD2-CB 3.44Å; L43-Y102 HydrophobicContact CD2-CD1 3.97Å; L43-Y102 HydrophobicContact CD2-CD2 4.31Å; L43-Y102 HydrophobicContact CD2-CG 3.65Å; D79-Y102 HydrophobicContact CB-CD2 4.03Å; D79-Y102 HydrophobicContact CB-CE2 3.68Å; D79-Y102 WeakPolarHBondContact O-CD2 3.46Å; I80-Y102 HydrophobicContact CG1-CD2 4.07Å; Y102-D104 PolarHBondContact O-N 3.47Å; Y102-E105 PolarHBondContact N-O 3.37Å; Y102-E105 PolarHBondContact O-N 2.91Å
103A93.8Very high97.6Very high95 Ų9551 Ų5179%0.78527%0.266SS*.THydrogen-bonded Turntrans49.8-119.3-168.100000111
104D93Very high97.6Very high169 Ų16950 Ų5090%0.90426%0.262SS*.THydrogen-bonded Turntrans-96.62179.1-59.5-43.5000113.2Y102Y102-D104 PolarHBondContact O-N 3.47Å
105E94.6Very high97.4Very high131 Ų13149.2 Ų49.261%0.61226%0.26SS*.EExtended strand (participates in β ladder)trans-96.3143.5-179.9-63.3-169169.500111.7Y102Y102-E105 PolarHBondContact N-O 3.37Å; Y102-E105 PolarHBondContact O-N 2.91Å
106T97.5Very high96.8Very high102 Ų10249.8 Ų49.863%0.62627%0.267SS*.EExtended strand (participates in β ladder)trans-127.2147.617260.20000111.6L100L100-T106 CarbonylContact O-C 3.51Å; L100-T106 WeakPolarHBondContact O-CA 3.39Å
107L98.3Very high96.1Very high32 Ų3249.9 Ų49.917%0.16827%0.267CS..EExtended strand (participates in β ladder)trans-137.2119.9176177.266.4000109.6L43 L100 V109L43-L107 HydrophobicContact CD1-CB 4.16Å; L43-L107 HydrophobicContact CD1-CD2 4.34Å; L100-L107 HydrophobicContact CB-CB 4.26Å; L100-L107 HydrophobicContact CD2-CD2 4.45Å; L100-L107 PolarHBondContact N-O 3.48Å; L100-L107 PolarHBondContact O-N 3.2Å; L107-V109 HydrophobicContact CD2-CG2 4.05Å; L107-V109 HydrophobicContact CG-CG2 3.94Å
108D98.4Very high94.8Very high82 Ų8247.2 Ų47.244%0.43926%0.26SS..EExtended strand (participates in β ladder)trans-83128.5172.5-73.2-9.1000109.6F98 R99F98-D108 CarbonylContact O-C 3.57Å; F98-D108 WeakPolarHBondContact O-CA 3.43Å; R99-D108 IonicContact CZ-OD1 3.09Å; R99-D108 IonicContact CZ-OD2 3.78Å; R99-D108 IonicContact NE-OD1 2.72Å; R99-D108 PolarHBondContact NE-OD1 3.1Å; R99-D108 IonicContact NH2-OD1 2.68Å; R99-D108 PolarHBondContact NH2-OD1 2.87Å; R99-D108 VanDerWaalsContact NH2-OD1 3.13Å; R99-D108 IonicContact NH2-OD2 3.43Å; R99-D108 PolarHBondContact NH2-OD2 3.46Å
109V98.8Very high92.6Very high4 Ų450.3 Ų50.32%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-124.6129-175.4179.80000110.2V42 I50 F98 L100 L107V42-V109 HydrophobicContact CG1-CG1 4.45Å; V42-V109 HydrophobicContact CG1-CG2 3.94Å; I50-V109 HydrophobicContact CD1-CG1 3.68Å; I50-V109 HydrophobicContact CG1-CG1 3.85Å; F98-V109 HydrophobicContact CB-CB 4.39Å; F98-V109 PolarHBondContact N-O 3.25Å; F98-V109 PolarHBondContact O-N 2.94Å; L100-V109 HydrophobicContact CD1-CB 4.22Å; L100-V109 HydrophobicContact CD1-CG2 3.72Å; L100-V109 HydrophobicContact CD2-CG2 4.17Å; L107-V109 HydrophobicContact CD2-CG2 4.05Å; L107-V109 HydrophobicContact CG-CG2 3.94Å
110L98.7Very high90.5Very high27 Ų2752.6 Ų52.614%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-93.2118.8171.9-168.968.2000109.8S48 I49 I50 I95 K97 L112 Q141S48-L110 PolarHBondContact O-N 3.29Å; I49-L110 WeakPolarHBondContact CA-O 3.26Å; I50-L110 PolarHBondContact N-O 3.38Å; I95-L110 HydrophobicContact CG2-CD1 3.53Å; I95-L110 HydrophobicContact CG2-CG 4.29Å; K97-L110 HydrophobicContact CG-CD1 3.89Å; L110-L112 HydrophobicContact CB-CD1 4.45Å; L110-L112 HydrophobicContact CD2-CD1 3.88Å; L110-L112 HydrophobicContact CD2-CD2 4.31Å; L110-L112 HydrophobicContact CD2-CG 4.26Å; L110-L112 HydrophobicContact CG-CD1 3.88Å; L110-L112 HydrophobicContact CG-CG 4.18Å; L110-Q141 HydrophobicContact CD2-CB 4.09Å; L110-Q141 HydrophobicContact CD2-CG 3.59Å
111H98.8Very high88.6Confident0 Ų054.1 Ų54.10%031%0.307CS..EExtended strand (participates in β ladder)trans-104117.8175.6178.3-93.5000109.5I50 Y67 I95 R96 F98I50-H111 CarbonylContact O-C 3.57Å; I50-H111 WeakPolarHBondContact O-CA 3.45Å; Y67-H111 AromaticContact CZ-NE2 3.73Å; Y67-H111 PolarHBondContact OH-CD2 2.88Å; Y67-H111 PolarHBondContact OH-NE2 2.84Å; I95-H111 CarbonylContact C-O 3.6Å; I95-H111 WeakPolarHBondContact CA-O 3.41Å; R96-H111 HydrophobicContact CB-CB 4.16Å; R96-H111 PolarHBondContact N-O 3.33Å; R96-H111 PolarHBondContact O-N 2.87Å; F98-H111 HydrophobicContact CD2-CB 3.82Å; F98-H111 HydrophobicContact CE2-CB 3.35Å; F98-H111 AromaticContact CE2-CG 3.7Å; F98-H111 HydrophobicContact CZ-CB 4.27Å
112L98.7Very high86.8Confident0 Ų055.8 Ų55.80%031%0.314CS..EExtended strand (participates in β ladder)trans-112.1109.1179.4-56.2104.3000108.5I49 I50 V51 M52 I95 L110 F134 I137 V138I49-L112 HydrophobicContact CG2-CD1 3.62Å; I50-L112 PolarHBondContact O-N 2.96Å; V51-L112 CarbonylContact C-O 3.46Å; V51-L112 WeakPolarHBondContact CA-O 3.23Å; M52-L112 PolarHBondContact N-O 2.82Å; I95-L112 HydrophobicContact CD1-CD2 4.33Å; I95-L112 HydrophobicContact CG1-CD2 4.35Å; L110-L112 HydrophobicContact CB-CD1 4.45Å; L110-L112 HydrophobicContact CD2-CD1 3.88Å; L110-L112 HydrophobicContact CD2-CD2 4.31Å; L110-L112 HydrophobicContact CD2-CG 4.26Å; L110-L112 HydrophobicContact CG-CD1 3.88Å; L110-L112 HydrophobicContact CG-CG 4.18Å; L112-F134 HydrophobicContact CB-CE2 3.82Å; L112-F134 HydrophobicContact CB-CZ 3.65Å; L112-I137 HydrophobicContact CD2-CG2 3.87Å; L112-V138 HydrophobicContact CB-CG2 4.3Å; L112-V138 HydrophobicContact CD1-CG2 4.34Å; L112-V138 HydrophobicContact CD2-CG2 3.97Å; L112-V138 HydrophobicContact CG-CG2 4.44Å
113N98.4Very high85Confident7 Ų750.9 Ų50.94%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-107.5106.9-178.1-179-167.2000110.8M52 T54 W93 I94 T115M52-N113 HydrophobicContact CB-CB 4.11Å; M52-N113 HydrophobicContact CG-CB 4.44Å; M52-N113 WeakPolarHBondContact CG-ND2 3.42Å; M52-N113 CarbonylContact O-C 3.52Å; M52-N113 VanDerWaalsContact O-CA 3.26Å; M52-N113 WeakPolarHBondContact O-CA 3.34Å; M52-N113 PolarHBondContact O-ND2 2.71Å; T54-N113 PolarHBondContact O-ND2 3.5Å; W93-N113 CarbonylContact C-O 3.6Å; W93-N113 WeakPolarHBondContact CA-O 3.47Å; W93-N113 WeakPolarHBondContact CB-O 3.37Å; I94-N113 PolarHBondContact N-O 3.4Å; I94-N113 PolarHBondContact O-N 3.09Å; N113-T115 PolarHBondContact O-N 3.44Å
114Y95.9Very high83.7Confident0 Ų051.1 Ų51.10%029%0.287CS..EExtended strand (participates in β ladder)trans-77.8117.2170.2-169.6-103.6000110.4M52 E92 W93 W117 A127 S130 I131 F134M52-Y114 PolarHBondContact O-N 3.28Å; E92-Y114 HydrophobicContact CB-CE2 4.3Å; E92-Y114 WeakPolarHBondContact O-CD2 3.38Å; W93-Y114 HydrophobicContact CB-CD2 4.43Å; W93-Y114 HydrophobicContact CE3-CD2 4.11Å; W93-Y114 HydrophobicContact CE3-CE2 4.15Å; Y114-W117 HydrophobicContact CD1-CB 4.01Å; Y114-W117 AromaticContact CD1-CE3 3.96Å; Y114-W117 HydrophobicContact CD1-CE3 3.96Å; Y114-W117 HydrophobicContact CE1-CB 4.03Å; Y114-W117 HydrophobicContact CE1-CE3 4.11Å; Y114-A127 PolarHBondContact OH-O 3.2Å; Y114-S130 PolarHBondContact OH-OG 2.8Å; Y114-I131 HydrophobicContact CD1-CD1 4.05Å; Y114-I131 HydrophobicContact CD2-CD1 4.23Å; Y114-I131 HydrophobicContact CE1-CD1 4.01Å; Y114-I131 HydrophobicContact CE2-CB 4.48Å; Y114-I131 HydrophobicContact CE2-CD1 4.2Å; Y114-I131 HydrophobicContact CG-CD1 4.15Å; Y114-I131 PolarHBondContact OH-N 3.07Å; Y114-F134 HydrophobicContact CD2-CB 3.78Å; Y114-F134 HydrophobicContact CD2-CD1 4.02Å; Y114-F134 AromaticContact CD2-CD2 3.9Å; Y114-F134 HydrophobicContact CD2-CD2 3.9Å; Y114-F134 AromaticContact CD2-CG 3.62Å; Y114-F134 HydrophobicContact CD2-CG 3.62Å; Y114-F134 HydrophobicContact CE2-CB 4.07Å; Y114-F134 HydrophobicContact CE2-CG 4.4Å; Y114-F134 HydrophobicContact CG-CD1 4.26Å; Y114-F134 HydrophobicContact CG-CG 4.29Å
115T92.2Very high82.4Confident24 Ų2448.1 Ų48.115%0.14728%0.275CS..  trans-103.2-16.2-17153.10000113.3Q55 E92 I94 N113Q55-T115 PolarHBondContact NE2-O 2.86Å; E92-T115 VanDerWaalsContact C-OG1 3.26Å; E92-T115 PolarHBondContact O-N 3.02Å; E92-T115 PolarHBondContact O-OG1 2.88Å; E92-T115 VanDerWaalsContact O-OG1 3.1Å; I94-T115 HydrophobicContact CD1-CG2 4.05Å; I94-T115 HydrophobicContact CG1-CG2 4.17Å; N113-T115 PolarHBondContact O-N 3.44Å
116S87.8Confident80.9Confident48 Ų4847.9 Ų47.934%0.33628%0.278SS..  trans-94.218.6-175.2-75.40000115.2P91 E92 P118P91-S116 PolarHBondContact O-OG 3.15Å; E92-S116 WeakPolarHBondContact CA-OG 3.25Å; E92-S116 PolarHBondContact O-N 3.18Å; S116-P118 WeakPolarHBondContact O-CD 3.45Å
117W83.3Confident79.7Confident14 Ų1443.7 Ų43.75%0.05325%0.253CS..  trans-71.4123.3174.9-157-62.2000110.5L53 Y114 I131 R159 T162L53-W117 HydrophobicContact CB-CE3 4.48Å; L53-W117 HydrophobicContact CD2-CE3 4.42Å; L53-W117 HydrophobicContact CD2-CZ3 4.33Å; Y114-W117 HydrophobicContact CD1-CB 4.01Å; Y114-W117 AromaticContact CD1-CE3 3.96Å; Y114-W117 HydrophobicContact CD1-CE3 3.96Å; Y114-W117 HydrophobicContact CE1-CB 4.03Å; Y114-W117 HydrophobicContact CE1-CE3 4.11Å; W117-I131 HydrophobicContact CE3-CD1 4.16Å; W117-I131 HydrophobicContact CZ3-CD1 3.76Å; W117-I131 HydrophobicContact CZ3-CG1 4.1Å; W117-R159 HydrophobicContact CD2-CB 4.12Å; W117-R159 HydrophobicContact CD2-CG 3.78Å; W117-R159 HydrophobicContact CE3-CB 4.17Å; W117-R159 HydrophobicContact CE3-CG 4.34Å; W117-R159 VanDerWaalsContact CG-CD 3.46Å; W117-R159 HydrophobicContact CG-CG 4.1Å; W117-R159 HydrophobicContact CH2-CB 4.14Å; W117-R159 HydrophobicContact CZ2-CB 4.06Å; W117-R159 HydrophobicContact CZ2-CG 3.95Å; W117-R159 HydrophobicContact CZ3-CB 4.17Å; W117-T162 HydrophobicContact CH2-CG2 3.73Å; W117-T162 HydrophobicContact CZ2-CG2 3.99Å
118P70.2Confident79Confident42 Ų4245 Ų4527%0.27326%0.26SS..  trans-68.3148-176.827.2-35.2000113.1S116 H120S116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-H120 VanDerWaalsContact C-N 3.31Å; P118-H120 PolarHBondContact O-N 3.29Å
119D54Low78.5Confident67 Ų6747.4 Ų47.436%0.35827%0.269SS..SBendtrans-66.3-26.4-179.8-82.3-41.3000114.7R59R59-D119 WeakPolarHBondContact CD-OD2 3.24Å; R59-D119 WeakPolarHBondContact CG-OD2 3.34Å; R59-D119 IonicContact CZ-OD2 3.47Å; R59-D119 IonicContact NE-OD2 3.62Å; R59-D119 PolarHBondContact NE-OD2 2.68Å; R59-D119 IonicContact NH2-OD2 3.39Å
120H53.5Low78.1Confident140 Ų14047.8 Ų47.865%0.64827%0.271SS*.SBendtrans-133.5136.6175.8-73.4-37.9000110.8R59 P118R59-H120 PolarHBondContact NH1-CD2 3.01Å; R59-H120 PolarHBondContact NH1-NE2 3.49Å; R59-H120 PolarHBondContact NH2-CD2 3.44Å; P118-H120 VanDerWaalsContact C-N 3.31Å; P118-H120 PolarHBondContact O-N 3.29Å
121G59.8Low77.8Confident32 Ų3246.5 Ų46.533%0.3327%0.265SS..SBendtrans76.7-148.5173.800000113.8
122V59.1Low77.6Confident49 Ų4949.5 Ų49.530%0.29728%0.28SS..SBendtrans-101.8157.5179.2-72.60000110.6T124 H200 L204V122-T124 PolarHBondContact O-N 2.98Å; V122-H200 HydrophobicContact CG1-CB 4.05Å; V122-H200 WeakPolarHBondContact CG1-O 3.45Å; V122-L204 HydrophobicContact CB-CB 4.38Å; V122-L204 HydrophobicContact CB-CD1 4.2Å; V122-L204 HydrophobicContact CG1-CB 3.63Å; V122-L204 HydrophobicContact CG1-CD1 4.36Å; V122-L204 HydrophobicContact CG1-CD2 4.25Å; V122-L204 HydrophobicContact CG1-CG 4.29Å
123P60.2Low77.4Confident4 Ų454.8 Ų54.83%0.02631%0.305CS..  trans-45.9136.3167.8-2535000111.6A127 I128 I131 L204P123-A127 HydrophobicContact CB-CB 3.36Å; P123-A127 VanDerWaalsContact CB-O 3.27Å; P123-A127 WeakPolarHBondContact CB-O 3.41Å; P123-I128 HydrophobicContact CB-CG1 4.1Å; P123-I131 HydrophobicContact CG-CG2 4.4Å; P123-L204 HydrophobicContact CG-CD2 4.12Å
124T66.3Low77.3Confident100 Ų10054.5 Ų54.561%0.61330%0.303SS*.  trans-56.9166.5163.956.40000109.7V122 N126 A127 I128V122-T124 PolarHBondContact O-N 2.98Å; T124-N126 PolarHBondContact O-N 3.33Å; T124-N126 VanDerWaalsContact O-N 3.1Å; T124-A127 CarbonylContact O-C 3.42Å; T124-A127 VanDerWaalsContact O-CA 3.29Å; T124-A127 WeakPolarHBondContact O-CA 3.31Å; T124-A127 WeakPolarHBondContact O-CB 3.34Å; T124-A127 PolarHBondContact O-N 3.35Å; T124-I128 PolarHBondContact O-N 2.76Å
125V66.2Low77.3Confident106 Ų10654.5 Ų54.564%0.64230%0.304SS*.Hα-helixtrans-47.9-46.2-179.11790000112.3A127 I128 E129V125-A127 VanDerWaalsContact C-N 3.27Å; V125-A127 PolarHBondContact O-N 3Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 2.98Å; V125-I128 VanDerWaalsContact O-N 3.13Å; V125-E129 PolarHBondContact O-N 2.87Å
126N63.8Low77.6Confident126 Ų12657 Ų5767%0.67431%0.313SS*.Hα-helixtrans-63.2-33.5175.9-632.2000112.9T124 I128 S130T124-N126 PolarHBondContact O-N 3.33Å; T124-N126 VanDerWaalsContact O-N 3.1Å; N126-I128 VanDerWaalsContact C-N 3.35Å; N126-S130 PolarHBondContact O-N 3.17Å
127A71.9Confident78Confident14 Ų1456.2 Ų56.212%0.11631%0.305CS..Hα-helixtrans-81.2-15.5179.200000112.6Y114 P123 T124 V125 S130 I131Y114-A127 PolarHBondContact OH-O 3.2Å; P123-A127 HydrophobicContact CB-CB 3.36Å; P123-A127 VanDerWaalsContact CB-O 3.27Å; P123-A127 WeakPolarHBondContact CB-O 3.41Å; T124-A127 CarbonylContact O-C 3.42Å; T124-A127 VanDerWaalsContact O-CA 3.29Å; T124-A127 WeakPolarHBondContact O-CA 3.31Å; T124-A127 WeakPolarHBondContact O-CB 3.34Å; T124-A127 PolarHBondContact O-N 3.35Å; V125-A127 VanDerWaalsContact C-N 3.27Å; V125-A127 PolarHBondContact O-N 3Å; A127-S130 VanDerWaalsContact CA-OG 3.28Å; A127-S130 WeakPolarHBondContact CA-OG 3.45Å; A127-S130 PolarHBondContact O-OG 2.86Å; A127-S130 VanDerWaalsContact O-OG 3.04Å; A127-I131 WeakPolarHBondContact O-CG2 3.4Å; A127-I131 PolarHBondContact O-N 3.36Å
128I82.6Confident78.7Confident60 Ų6055.5 Ų55.531%0.30830%0.302SS..Hα-helixtrans-70.2-47.4167.9-61.2179.7000109.3P123 T124 V125 N126 S130 I131 L132 L204P123-I128 HydrophobicContact CB-CG1 4.1Å; T124-I128 PolarHBondContact O-N 2.76Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 2.98Å; V125-I128 VanDerWaalsContact O-N 3.13Å; N126-I128 VanDerWaalsContact C-N 3.35Å; I128-S130 VanDerWaalsContact C-N 3.31Å; I128-S130 PolarHBondContact O-N 3.5Å; I128-I131 WeakPolarHBondContact O-CG2 3.48Å; I128-I131 PolarHBondContact O-N 3.37Å; I128-L132 HydrophobicContact CG2-CD1 3.96Å; I128-L132 HydrophobicContact CG2-CG 4.33Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 2.92Å; I128-L204 HydrophobicContact CD1-CD1 3.95Å; I128-L204 HydrophobicContact CG1-CD1 3.82Å
129E87.7Confident80Confident132 Ų13254.2 Ų54.262%0.61729%0.292SS*.Hα-helixtrans-59.1-43.9177.4-67.2-178.7171.600111.4V125 I131 L132 Q133V125-E129 PolarHBondContact O-N 2.87Å; E129-I131 PolarHBondContact O-N 3.29Å; E129-L132 PolarHBondContact O-N 3.33Å; E129-Q133 WeakPolarHBondContact O-CB 3.45Å; E129-Q133 PolarHBondContact O-N 3.38Å
130S91.3Very high82Confident12 Ų1255.4 Ų55.48%0.08430%0.295CS..Hα-helixtrans-66.3-38.1179.262.20000113.3Y114 N126 A127 I128 Q133 F134Y114-S130 PolarHBondContact OH-OG 2.8Å; N126-S130 PolarHBondContact O-N 3.17Å; A127-S130 VanDerWaalsContact CA-OG 3.28Å; A127-S130 WeakPolarHBondContact CA-OG 3.45Å; A127-S130 PolarHBondContact O-OG 2.86Å; A127-S130 VanDerWaalsContact O-OG 3.04Å; I128-S130 VanDerWaalsContact C-N 3.31Å; I128-S130 PolarHBondContact O-N 3.5Å; S130-Q133 PolarHBondContact O-N 2.97Å; S130-F134 WeakPolarHBondContact O-CB 3.33Å; S130-F134 PolarHBondContact O-N 3.47Å
131I92Very high84.1Confident0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-70.1-37.3175.7-17161.5000111.5Y114 W117 P123 A127 I128 E129 F134 V135 F163 L166Y114-I131 HydrophobicContact CD1-CD1 4.05Å; Y114-I131 HydrophobicContact CD2-CD1 4.23Å; Y114-I131 HydrophobicContact CE1-CD1 4.01Å; Y114-I131 HydrophobicContact CE2-CB 4.48Å; Y114-I131 HydrophobicContact CE2-CD1 4.2Å; Y114-I131 HydrophobicContact CG-CD1 4.15Å; Y114-I131 PolarHBondContact OH-N 3.07Å; W117-I131 HydrophobicContact CE3-CD1 4.16Å; W117-I131 HydrophobicContact CZ3-CD1 3.76Å; W117-I131 HydrophobicContact CZ3-CG1 4.1Å; P123-I131 HydrophobicContact CG-CG2 4.4Å; A127-I131 WeakPolarHBondContact O-CG2 3.4Å; A127-I131 PolarHBondContact O-N 3.36Å; I128-I131 WeakPolarHBondContact O-CG2 3.48Å; I128-I131 PolarHBondContact O-N 3.37Å; E129-I131 PolarHBondContact O-N 3.29Å; I131-F134 HydrophobicContact CD1-CB 4.48Å; I131-F134 HydrophobicContact CD1-CD1 4.1Å; I131-F134 PolarHBondContact O-N 2.98Å; I131-V135 HydrophobicContact CG1-CG2 4.48Å; I131-V135 VanDerWaalsContact O-CG2 3.25Å; I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 3.41Å; I131-F163 HydrophobicContact CD1-CD2 4.43Å; I131-L166 HydrophobicContact CG1-CD1 4Å; I131-L166 HydrophobicContact CG2-CD1 4.2Å
132L93.9Very high85.8Confident62 Ų6249.8 Ų49.833%0.32526%0.262SS..Hα-helixtrans-65.1-40175.1-67.9175.5000111.5I128 E129 V135 H136 L166 M170I128-L132 HydrophobicContact CG2-CD1 3.96Å; I128-L132 HydrophobicContact CG2-CG 4.33Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 2.92Å; E129-L132 PolarHBondContact O-N 3.33Å; L132-V135 PolarHBondContact O-N 2.92Å; L132-H136 WeakPolarHBondContact O-CB 3.5Å; L132-H136 PolarHBondContact O-N 3.21Å; L132-L166 HydrophobicContact CD2-CD2 4.24Å; L132-M170 HydrophobicContact CD2-CG 4.3Å; L132-M170 HydrophobicContact CD2-SD 3.67Å
133Q94.5Very high87.5Confident112 Ų11251.5 Ų51.552%0.52327%0.27SS..Hα-helixtrans-63.4-43.5173.4-173.5176.64.600111.2W93 E129 S130 H136 I137W93-Q133 HydrophobicContact CH2-CB 4.24Å; W93-Q133 HydrophobicContact CH2-CG 3.83Å; W93-Q133 HydrophobicContact CZ3-CB 4.49Å; E129-Q133 WeakPolarHBondContact O-CB 3.45Å; E129-Q133 PolarHBondContact O-N 3.38Å; S130-Q133 PolarHBondContact O-N 2.97Å; Q133-H136 WeakPolarHBondContact O-CB 3.33Å; Q133-H136 PolarHBondContact O-N 3.39Å; Q133-I137 HydrophobicContact CG-CD1 4.24Å; Q133-I137 WeakPolarHBondContact O-CG1 3.04Å; Q133-I137 PolarHBondContact O-N 2.86Å
134F96.4Very high89.2Confident0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-62.3-45.2176.6-177.7-100.2000112.2V51 L53 W93 L112 Y114 S130 I131 H136 I137 V138 F163V51-F134 HydrophobicContact CG1-CE1 3.78Å; V51-F134 HydrophobicContact CG1-CZ 4.15Å; L53-F134 HydrophobicContact CD2-CE1 4.01Å; W93-F134 HydrophobicContact CB-CD2 3.75Å; W93-F134 HydrophobicContact CB-CE2 3.75Å; W93-F134 AromaticContact CD2-CD2 3.81Å; W93-F134 HydrophobicContact CD2-CD2 3.81Å; W93-F134 HydrophobicContact CE3-CB 3.93Å; W93-F134 AromaticContact CE3-CD2 3.84Å; W93-F134 HydrophobicContact CE3-CD2 3.84Å; W93-F134 HydrophobicContact CE3-CG 4.33Å; W93-F134 AromaticContact CG-CD2 3.77Å; W93-F134 HydrophobicContact CG-CD2 3.77Å; W93-F134 HydrophobicContact CG-CE2 4.1Å; W93-F134 HydrophobicContact CZ3-CB 4.18Å; L112-F134 HydrophobicContact CB-CE2 3.82Å; L112-F134 HydrophobicContact CB-CZ 3.65Å; Y114-F134 HydrophobicContact CD2-CB 3.78Å; Y114-F134 HydrophobicContact CD2-CD1 4.02Å; Y114-F134 AromaticContact CD2-CD2 3.9Å; Y114-F134 HydrophobicContact CD2-CD2 3.9Å; Y114-F134 AromaticContact CD2-CG 3.62Å; Y114-F134 HydrophobicContact CD2-CG 3.62Å; Y114-F134 HydrophobicContact CE2-CB 4.07Å; Y114-F134 HydrophobicContact CE2-CG 4.4Å; Y114-F134 HydrophobicContact CG-CD1 4.26Å; Y114-F134 HydrophobicContact CG-CG 4.29Å; S130-F134 WeakPolarHBondContact O-CB 3.33Å; S130-F134 PolarHBondContact O-N 3.47Å; I131-F134 HydrophobicContact CD1-CB 4.48Å; I131-F134 HydrophobicContact CD1-CD1 4.1Å; I131-F134 PolarHBondContact O-N 2.98Å; F134-H136 VanDerWaalsContact C-N 3.28Å; F134-H136 PolarHBondContact O-N 3.46Å; F134-I137 PolarHBondContact O-N 3.37Å; F134-V138 HydrophobicContact CD1-CG2 4.27Å; F134-V138 HydrophobicContact CE1-CG2 3.86Å; F134-V138 HydrophobicContact CZ-CG2 4Å; F134-V138 WeakPolarHBondContact O-CG2 3.44Å; F134-V138 PolarHBondContact O-N 2.82Å; F134-F163 HydrophobicContact CD1-CD2 4.24Å; F134-F163 AromaticContact CD1-CE2 3.82Å; F134-F163 HydrophobicContact CD1-CE2 3.82Å; F134-F163 HydrophobicContact CE1-CD2 4.29Å; F134-F163 AromaticContact CE1-CE2 3.83Å; F134-F163 HydrophobicContact CE1-CE2 3.83Å
135V97.4Very high90.5Very high1 Ų157.5 Ų57.51%0.00628%0.284CS..Hα-helixtrans-56.7-44.1172.91700000110.7I131 L132 I137 V138 R139 F163 L166 D167 M170I131-V135 HydrophobicContact CG1-CG2 4.48Å; I131-V135 VanDerWaalsContact O-CG2 3.25Å; I131-V135 WeakPolarHBondContact O-CG2 3.42Å; I131-V135 PolarHBondContact O-N 3.41Å; L132-V135 PolarHBondContact O-N 2.92Å; V135-I137 PolarHBondContact O-N 2.96Å; V135-V138 PolarHBondContact O-N 3.38Å; V135-R139 WeakPolarHBondContact O-CB 2.89Å; V135-R139 PolarHBondContact O-N 3.5Å; V135-F163 HydrophobicContact CB-CE2 4.28Å; V135-F163 HydrophobicContact CG2-CD2 3.63Å; V135-F163 HydrophobicContact CG2-CE2 3.56Å; V135-F163 HydrophobicContact CG2-CZ 4.47Å; V135-L166 HydrophobicContact CG2-CB 4.14Å; V135-D167 HydrophobicContact CG1-CB 3.72Å; V135-M170 HydrophobicContact CB-SD 3.9Å; V135-M170 HydrophobicContact CG1-SD 3.45Å; V135-M170 WeakPolarHBondContact CG1-SD 3.49Å
136H96.9Very high91.7Very high75 Ų7561 Ų6135%0.34729%0.291SS..Hα-helixtrans-60.2-44.8176.4-172.887.6000112.4L132 Q133 F134 R139 Q140 M170L132-H136 WeakPolarHBondContact O-CB 3.5Å; L132-H136 PolarHBondContact O-N 3.21Å; Q133-H136 WeakPolarHBondContact O-CB 3.33Å; Q133-H136 PolarHBondContact O-N 3.39Å; F134-H136 VanDerWaalsContact C-N 3.28Å; F134-H136 PolarHBondContact O-N 3.46Å; H136-R139 PolarHBondContact O-N 3.37Å; H136-Q140 PolarHBondContact CD2-NE2 3Å; H136-Q140 PolarHBondContact NE2-NE2 3.21Å; H136-Q140 WeakPolarHBondContact O-CG 3.16Å; H136-Q140 PolarHBondContact O-N 3.22Å; H136-M170 HydrophobicContact CB-CE 4.45Å
137I96.9Very high93.2Very high32 Ų3257.9 Ų57.916%0.16427%0.274CS..Hα-helixtrans-60.5-49.4177.6-69164.8000110.4W93 I95 L112 Q133 F134 V135 R139 Q140 Q141W93-I137 HydrophobicContact CH2-CD1 4.05Å; W93-I137 HydrophobicContact CZ2-CD1 3.45Å; W93-I137 VanDerWaalsContact CZ2-CD1 3.45Å; I95-I137 HydrophobicContact CD1-CG2 4.43Å; L112-I137 HydrophobicContact CD2-CG2 3.87Å; Q133-I137 HydrophobicContact CG-CD1 4.24Å; Q133-I137 WeakPolarHBondContact O-CG1 3.04Å; Q133-I137 PolarHBondContact O-N 2.86Å; F134-I137 PolarHBondContact O-N 3.37Å; V135-I137 PolarHBondContact O-N 2.96Å; I137-R139 VanDerWaalsContact C-N 3.32Å; I137-R139 PolarHBondContact O-N 2.84Å; I137-Q140 PolarHBondContact O-N 3.45Å; I137-Q141 PolarHBondContact O-N 2.89Å
138V97.9Very high94.4Very high0 Ų058 Ų580%027%0.274CS..Hα-helixtrans-58.4-46.7177.6176.40000110.5I49 V51 L112 F134 V135 Q140 Q141 A142 F163I49-V138 HydrophobicContact CG2-CG1 4.46Å; V51-V138 HydrophobicContact CG2-CG1 3.73Å; V51-V138 HydrophobicContact CG2-CG2 3.99Å; L112-V138 HydrophobicContact CB-CG2 4.3Å; L112-V138 HydrophobicContact CD1-CG2 4.34Å; L112-V138 HydrophobicContact CD2-CG2 3.97Å; L112-V138 HydrophobicContact CG-CG2 4.44Å; F134-V138 HydrophobicContact CD1-CG2 4.27Å; F134-V138 HydrophobicContact CE1-CG2 3.86Å; F134-V138 HydrophobicContact CZ-CG2 4Å; F134-V138 WeakPolarHBondContact O-CG2 3.44Å; F134-V138 PolarHBondContact O-N 2.82Å; V135-V138 PolarHBondContact O-N 3.38Å; V138-Q140 VanDerWaalsContact C-N 3.33Å; V138-Q140 PolarHBondContact O-N 2.95Å; V138-Q141 PolarHBondContact O-N 3.32Å; V138-Q141 VanDerWaalsContact O-N 3.07Å; V138-A142 WeakPolarHBondContact O-CB 3.4Å; V138-A142 PolarHBondContact O-N 3.25Å; V138-F163 HydrophobicContact CB-CE2 4.46Å; V138-F163 HydrophobicContact CB-CZ 3.9Å; V138-F163 HydrophobicContact CG1-CZ 3.85Å; V138-F163 HydrophobicContact CG2-CE2 4.12Å; V138-F163 HydrophobicContact CG2-CZ 3.88Å
139R97.5Very high95.2Very high14 Ų1455.4 Ų55.45%0.05326%0.261CS..Hα-helixtrans-62.6-36.5-178.9-179.249.358.1178.73.5112.8E23 Y24 V135 H136 I137 Q141 A142 N143 D167E23-R139 IonicContact OE1-CZ 3.9Å; E23-R139 IonicContact OE1-NH1 2.93Å; E23-R139 PolarHBondContact OE1-NH1 2.81Å; E23-R139 IonicContact OE1-NH2 3.44Å; E23-R139 PolarHBondContact OE1-NH2 3.27Å; Y24-R139 PolarHBondContact OH-NH2 3.4Å; V135-R139 WeakPolarHBondContact O-CB 2.89Å; V135-R139 PolarHBondContact O-N 3.5Å; H136-R139 PolarHBondContact O-N 3.37Å; I137-R139 VanDerWaalsContact C-N 3.32Å; I137-R139 PolarHBondContact O-N 2.84Å; R139-Q141 VanDerWaalsContact C-N 3.26Å; R139-Q141 PolarHBondContact O-N 3.22Å; R139-A142 PolarHBondContact O-N 2.94Å; R139-N143 WeakPolarHBondContact CD-OD1 3.39Å; R139-N143 PolarHBondContact O-N 2.91Å; R139-N143 PolarHBondContact O-ND2 3.29Å; R139-D167 IonicContact CZ-OD1 3.4Å; R139-D167 IonicContact CZ-OD2 3.08Å; R139-D167 IonicContact NE-OD1 3.78Å; R139-D167 PolarHBondContact NE-OD1 3.26Å; R139-D167 IonicContact NE-OD2 3.54Å; R139-D167 VanDerWaalsContact NH2-CG 3.29Å; R139-D167 IonicContact NH2-OD1 3.02Å; R139-D167 PolarHBondContact NH2-OD1 2.79Å; R139-D167 IonicContact NH2-OD2 3.73Å; R139-D167 PolarHBondContact NH2-OD2 3.28Å
140Q96.9Very high95.7Very high92 Ų9249.1 Ų49.143%0.4323%0.231SC..Hα-helixtrans-60.4-37.2174.1-75.2-175.2-7.200112.4H136 I137 V138H136-Q140 PolarHBondContact CD2-NE2 3Å; H136-Q140 PolarHBondContact NE2-NE2 3.21Å; H136-Q140 WeakPolarHBondContact O-CG 3.16Å; H136-Q140 PolarHBondContact O-N 3.22Å; I137-Q140 PolarHBondContact O-N 3.45Å; V138-Q140 VanDerWaalsContact C-N 3.33Å; V138-Q140 PolarHBondContact O-N 2.95Å
141Q96.9Very high96Very high47 Ų4748.5 Ų48.522%0.2223%0.227CC..Hα-helixtrans-76.1-43.9176.6-53.9-56.5-29.300111.2I49 L110 I137 V138 R139 N143 R144I49-Q141 HydrophobicContact CD1-CB 3.9Å; L110-Q141 HydrophobicContact CD2-CB 4.09Å; L110-Q141 HydrophobicContact CD2-CG 3.59Å; I137-Q141 PolarHBondContact O-N 2.89Å; V138-Q141 PolarHBondContact O-N 3.32Å; V138-Q141 VanDerWaalsContact O-N 3.07Å; R139-Q141 VanDerWaalsContact C-N 3.26Å; R139-Q141 PolarHBondContact O-N 3.22Å; Q141-N143 PolarHBondContact O-N 3.06Å; Q141-R144 VanDerWaalsContact O-CB 3.31Å; Q141-R144 WeakPolarHBondContact O-CB 3.48Å; Q141-R144 PolarHBondContact O-N 3.18Å
142A96.1Very high96.4Very high7 Ų748.5 Ų48.56%0.05823%0.227CC..Hα-helixtrans-56-37.5177.600000112.9I49 V138 R139 R144 T145 I149I49-A142 HydrophobicContact CD1-CB 4.24Å; V138-A142 WeakPolarHBondContact O-CB 3.4Å; V138-A142 PolarHBondContact O-N 3.25Å; R139-A142 PolarHBondContact O-N 2.94Å; A142-R144 PolarHBondContact O-N 2.95Å; A142-T145 PolarHBondContact O-N 2.99Å; A142-T145 VanDerWaalsContact O-N 3.13Å; A142-I149 HydrophobicContact CB-CD1 3.52Å; A142-I149 HydrophobicContact CB-CG1 4.36Å
143N95.1Very high96.5Very high85 Ų8545.9 Ų45.946%0.45521%0.214SC..THydrogen-bonded Turntrans-63.5-11.2178-73.2-22.8000114.3R139 Q141R139-N143 WeakPolarHBondContact CD-OD1 3.39Å; R139-N143 PolarHBondContact O-N 2.91Å; R139-N143 PolarHBondContact O-ND2 3.29Å; Q141-N143 PolarHBondContact O-N 3.06Å
144R94.4Very high96.6Very high194 Ų19442.8 Ų42.873%0.73220%0.204SC*.THydrogen-bonded Turntrans-91.4-9.4179-57.7175.5177.7-179.1-6.7113.1Q141 A142Q141-R144 VanDerWaalsContact O-CB 3.31Å; Q141-R144 WeakPolarHBondContact O-CB 3.48Å; Q141-R144 PolarHBondContact O-N 3.18Å; A142-R144 PolarHBondContact O-N 2.95Å
145T93.1Very high96.6Very high36 Ų3645.3 Ų45.322%0.22123%0.225CC..  trans-134.4165.2179.7-177.10000111.1I49 A142 D147I49-T145 HydrophobicContact CD1-CG2 4.19Å; A142-T145 PolarHBondContact O-N 2.99Å; A142-T145 VanDerWaalsContact O-N 3.13Å; T145-D147 WeakPolarHBondContact OG1-CB 3.45Å; T145-D147 PolarHBondContact OG1-N 3.33Å; T145-D147 PolarHBondContact OG1-OD2 2.9Å
146K91.4Very high96.5Very high181 Ų18145.2 Ų45.279%0.78723%0.225SC*.  trans-109.7-0.1168.2-63.1-178.1-179.4178.60112.2
147D95.4Very high96.5Very high59 Ų5942.3 Ų42.332%0.31621%0.213SC..SBendtrans-70.3150.1-178.4-52.2-42.1000110.4K46 T145 I149K46-D147 VanDerWaalsContact O-CB 3.23Å; K46-D147 WeakPolarHBondContact O-CB 3.18Å; K46-D147 VanDerWaalsContact O-CG 3.24Å; T145-D147 WeakPolarHBondContact OG1-CB 3.45Å; T145-D147 PolarHBondContact OG1-N 3.33Å; T145-D147 PolarHBondContact OG1-OD2 2.9Å; D147-I149 PolarHBondContact O-N 3.02Å
148P97.8Very high96.4Very high18 Ų1840.9 Ų40.912%0.11721%0.206CC..PPolyproline II helixtrans-60.8139.3178.2-20.431.7000111.7Y14 E23 I25 S47Y14-P148 HydrophobicContact CE1-CG 4.23Å; E23-P148 WeakPolarHBondContact O-CA 3.44Å; I25-P148 HydrophobicContact CD1-CB 3.84Å; I25-P148 HydrophobicContact CD1-CG 4.34Å; I25-P148 HydrophobicContact CG1-CB 3.9Å; S47-P148 VanDerWaalsContact CB-O 3.31Å; S47-P148 WeakPolarHBondContact CB-O 3.17Å; S47-P148 PolarHBondContact OG-O 2.84Å
149I98.6Very high96.2Very high4 Ų442.2 Ų42.22%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-87.8122.7172.6-54.5163.8000108.3E23 Y24 I25 I49 V51 A142 D147 V151E23-I149 PolarHBondContact O-N 2.83Å; Y24-I149 CarbonylContact C-O 3.59Å; Y24-I149 VanDerWaalsContact CA-O 3.26Å; Y24-I149 WeakPolarHBondContact CA-O 3.46Å; Y24-I149 HydrophobicContact CD1-CB 3.98Å; Y24-I149 HydrophobicContact CD1-CD1 4.16Å; Y24-I149 HydrophobicContact CE1-CD1 3.91Å; I25-I149 PolarHBondContact N-O 3.48Å; I49-I149 HydrophobicContact CB-CG2 4.17Å; I49-I149 HydrophobicContact CG2-CG2 3.83Å; V51-I149 HydrophobicContact CG2-CG2 3.85Å; A142-I149 HydrophobicContact CB-CD1 3.52Å; A142-I149 HydrophobicContact CB-CG1 4.36Å; D147-I149 PolarHBondContact O-N 3.02Å; I149-V151 HydrophobicContact CG2-CG2 3.98Å
150I98.9Very high96.3Very high0 Ų041.5 Ų41.50%021%0.208CC..EExtended strand (participates in β ladder)trans-80.5126173.8-70.7164.9000108.5I25 T27 F38 M41 V42 S47 I49 I50 V51I25-I150 HydrophobicContact CB-CG1 4.09Å; I25-I150 HydrophobicContact CD1-CG1 4.33Å; I25-I150 HydrophobicContact CG2-CG1 4.48Å; I25-I150 WeakPolarHBondContact O-CA 3.32Å; T27-I150 HydrophobicContact CG2-CG2 3.89Å; F38-I150 HydrophobicContact CE2-CG2 3.9Å; F38-I150 HydrophobicContact CZ-CG2 4.09Å; M41-I150 HydrophobicContact CE-CD1 3.81Å; M41-I150 HydrophobicContact CE-CG1 4.12Å; M41-I150 HydrophobicContact CE-CG2 4.21Å; V42-I150 HydrophobicContact CB-CD1 4.1Å; V42-I150 HydrophobicContact CG2-CD1 3.49Å; V42-I150 VanDerWaalsContact CG2-CD1 3.49Å; S47-I150 VanDerWaalsContact CB-CD1 3.46Å; S47-I150 WeakPolarHBondContact OG-CD1 3.41Å; S47-I150 WeakPolarHBondContact OG-CG1 3.3Å; I49-I150 PolarHBondContact O-N 2.83Å; I50-I150 CarbonylContact C-O 3.55Å; I50-I150 WeakPolarHBondContact CA-O 3.43Å; I50-I150 HydrophobicContact CG1-CB 4.31Å; I50-I150 HydrophobicContact CG2-CG2 4.37Å; V51-I150 PolarHBondContact N-O 2.84Å
151V98.9Very high96.3Very high0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-126.4127.3179.9-168.90000109.2Y24 I25 A26 T27 V51 L53 I149 T160 F163 M164Y24-V151 HydrophobicContact CD1-CG2 4.01Å; I25-V151 PolarHBondContact O-N 2.97Å; A26-V151 WeakPolarHBondContact CA-O 3.36Å; T27-V151 PolarHBondContact N-O 2.86Å; T27-V151 VanDerWaalsContact N-O 3.1Å; V51-V151 HydrophobicContact CB-CB 4.45Å; V51-V151 HydrophobicContact CB-CG1 4.11Å; V51-V151 HydrophobicContact CB-CG2 4.25Å; V51-V151 HydrophobicContact CG1-CG1 4.22Å; V51-V151 HydrophobicContact CG2-CG2 4.49Å; V51-V151 WeakPolarHBondContact O-CA 3.33Å; L53-V151 HydrophobicContact CD1-CG1 3.9Å; I149-V151 HydrophobicContact CG2-CG2 3.98Å; V151-T160 HydrophobicContact CB-CG2 4.01Å; V151-T160 HydrophobicContact CG1-CG2 3.78Å; V151-T160 WeakPolarHBondContact O-CG2 3.43Å; V151-F163 HydrophobicContact CG1-CD1 3.82Å; V151-F163 HydrophobicContact CG1-CE1 4.39Å; V151-F163 HydrophobicContact CG2-CD1 4.42Å; V151-F163 HydrophobicContact CG2-CE1 4.33Å; V151-M164 HydrophobicContact CB-CG 4.47Å; V151-M164 HydrophobicContact CB-SD 4.27Å; V151-M164 HydrophobicContact CG1-CG 4.32Å; V151-M164 HydrophobicContact CG1-SD 4.47Å; V151-M164 HydrophobicContact CG2-CG 4.24Å; V151-M164 HydrophobicContact CG2-SD 4.42Å
152H98.8Very high96.2Very high0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-143.4161.5178.282.391.4000113.1T27 V51 M52 L53 Y67T27-H152 HydrophobicContact CG2-CB 3.71Å; T27-H152 WeakPolarHBondContact O-CA 3.49Å; T27-H152 WeakPolarHBondContact O-CB 3.38Å; V51-H152 PolarHBondContact O-N 2.83Å; M52-H152 WeakPolarHBondContact CB-NE2 3.24Å; M52-H152 VanDerWaalsContact CG-CE1 3.4Å; M52-H152 WeakPolarHBondContact CG-CE1 3.43Å; M52-H152 WeakPolarHBondContact CG-NE2 3.2Å; L53-H152 PolarHBondContact N-O 2.8Å; Y67-H152 AromaticContact CE1-CE1 3.66Å; Y67-H152 AromaticContact CE1-NE2 3.55Å; Y67-H152 AromaticContact CZ-NE2 3.53Å; Y67-H152 PolarHBondContact OH-NE2 2.85Å
153C96.2Very high96.3Very high7 Ų734.6 Ų34.65%0.04717%0.174CC..SBendtrans-133-121.416663.10000107.9G29 L53 G156 R159 T160G29-C153 WeakPolarHBondContact CA-O 3.26Å; G29-C153 PolarHBondContact N-O 2.94Å; L53-C153 HydrophobicContact CB-CB 4.16Å; C153-G156 PolarHBondContact SG-N 3.31Å; C153-G156 VanDerWaalsContact SG-N 3.4Å; C153-R159 HydrophobicContact CB-CB 3.93Å; C153-T160 PolarHBondContact N-OG1 3.17Å; C153-T160 PolarHBondContact SG-OG1 2.94Å; C153-T160 VanDerWaalsContact SG-OG1 3.32Å
154S96.3Very high96.4Very high46 Ų4630.5 Ų30.532%0.32215%0.153SC..SBendtrans-91.1-66.3168.2-174.70000111.2Q28 G29 K63Q28-S154 WeakPolarHBondContact CA-O 3.24Å; G29-S154 PolarHBondContact N-O 3.44Å; K63-S154 WeakPolarHBondContact O-CA 3.28Å; K63-S154 VanDerWaalsContact O-CB 3.28Å; K63-S154 WeakPolarHBondContact O-CB 3.37Å; K63-S154 PolarHBondContact O-OG 3.29Å
155A96.3Very high96.6Very high53 Ų5321.3 Ų21.344%0.43812%0.118SC..SBendtrans-82.7-12.4177.700000114.2V157 R192A155-V157 HydrophobicContact CB-CG2 3.95Å; A155-R192 PolarHBondContact O-NH2 2.87Å; A155-R192 VanDerWaalsContact O-NH2 3.09Å
156G97.1Very high96.8Very high0 Ų020.2 Ų20.20%011%0.111CC..SBendtrans73.628.5-177.500000114.4T27 C153 T160 R192T27-G156 WeakPolarHBondContact O-CA 3.42Å; C153-G156 PolarHBondContact SG-N 3.31Å; C153-G156 VanDerWaalsContact SG-N 3.4Å; G156-T160 WeakPolarHBondContact CA-OG1 3.43Å; G156-R192 WeakPolarHBondContact O-CD 3.26Å; G156-R192 PolarHBondContact O-NE 3.13Å
157V96.8Very high97.1Very high14 Ų1411.6 Ų11.69%0.0857%0.073CC..SBendtrans-132-58-174.7-590000113.6A155 G161 R192 L193 M195 V196A155-V157 HydrophobicContact CB-CG2 3.95Å; V157-G161 WeakPolarHBondContact O-CA 3.43Å; V157-G161 PolarHBondContact O-N 2.91Å; V157-R192 HydrophobicContact CG1-CG 4.36Å; V157-L193 VanDerWaalsContact CG1-O 3.23Å; V157-L193 WeakPolarHBondContact CG1-O 3.36Å; V157-M195 HydrophobicContact CB-SD 4.4Å; V157-V196 PolarHBondContact O-N 2.68Å
158G94.4Very high97.2Very high2 Ų210.2 Ų10.22%0.0216%0.064CC..Hα-helixtrans-69.6-75.7-172.700000113.3T160 G161 T162G158-T160 VanDerWaalsContact C-N 3.32Å; G158-T160 PolarHBondContact O-N 3.22Å; G158-G161 PolarHBondContact O-N 3.48Å; G158-T162 WeakPolarHBondContact O-CB 3.21Å; G158-T162 PolarHBondContact O-N 3.34Å; G158-T162 PolarHBondContact O-OG1 3.46Å
159R94.5Very high97.2Very high27 Ų2710 Ų1010%0.1026%0.061CC..Hα-helixtrans-60.7-41.8177.7-56.1-176.8-179.1156.62.8111.9L53 T54 E58 W117 C153 T162 F163L53-R159 HydrophobicContact CB-CB 3.98Å; L53-R159 HydrophobicContact CD1-CB 4.33Å; L53-R159 WeakPolarHBondContact CD1-O 3.49Å; L53-R159 WeakPolarHBondContact O-CD 3.37Å; L53-R159 PolarHBondContact O-NH1 3.49Å; L53-R159 VanDerWaalsContact O-NH1 3.08Å; T54-R159 PolarHBondContact OG1-NH1 3.44Å; E58-R159 IonicContact OE1-CZ 3.53Å; E58-R159 IonicContact OE1-NH1 3.26Å; E58-R159 PolarHBondContact OE1-NH1 3.39Å; E58-R159 IonicContact OE1-NH2 3.64Å; E58-R159 IonicContact OE2-CZ 2.94Å; E58-R159 IonicContact OE2-NH1 3.47Å; E58-R159 PolarHBondContact OE2-NH1 3Å; E58-R159 IonicContact OE2-NH2 2.66Å; E58-R159 PolarHBondContact OE2-NH2 2.98Å; W117-R159 HydrophobicContact CD2-CB 4.12Å; W117-R159 HydrophobicContact CD2-CG 3.78Å; W117-R159 HydrophobicContact CE3-CB 4.17Å; W117-R159 HydrophobicContact CE3-CG 4.34Å; W117-R159 VanDerWaalsContact CG-CD 3.46Å; W117-R159 HydrophobicContact CG-CG 4.1Å; W117-R159 HydrophobicContact CH2-CB 4.14Å; W117-R159 HydrophobicContact CZ2-CB 4.06Å; W117-R159 HydrophobicContact CZ2-CG 3.95Å; W117-R159 HydrophobicContact CZ3-CB 4.17Å; C153-R159 HydrophobicContact CB-CB 3.93Å; R159-T162 PolarHBondContact O-N 2.95Å; R159-F163 WeakPolarHBondContact O-CB 3.01Å; R159-F163 PolarHBondContact O-N 3.29Å
160T97.8Very high97.1Very high0 Ų011.5 Ų11.50%07%0.069CC..Hα-helixtrans-52.2-55.3173.5-58.90000111.7A26 V151 C153 G156 G158 T162 F163 M164 M195A26-T160 HydrophobicContact CB-CG2 3.81Å; V151-T160 HydrophobicContact CB-CG2 4.01Å; V151-T160 HydrophobicContact CG1-CG2 3.78Å; V151-T160 WeakPolarHBondContact O-CG2 3.43Å; C153-T160 PolarHBondContact N-OG1 3.17Å; C153-T160 PolarHBondContact SG-OG1 2.94Å; C153-T160 VanDerWaalsContact SG-OG1 3.32Å; G156-T160 WeakPolarHBondContact CA-OG1 3.43Å; G158-T160 VanDerWaalsContact C-N 3.32Å; G158-T160 PolarHBondContact O-N 3.22Å; T160-T162 VanDerWaalsContact C-N 3.35Å; T160-T162 PolarHBondContact O-N 3.48Å; T160-F163 PolarHBondContact O-N 3.13Å; T160-M164 HydrophobicContact CG2-SD 3.81Å; T160-M164 VanDerWaalsContact O-CG 3.23Å; T160-M164 WeakPolarHBondContact O-CG 3.47Å; T160-M164 PolarHBondContact O-N 2.77Å; T160-M164 VanDerWaalsContact O-N 3.09Å; T160-M195 HydrophobicContact CG2-CE 4.25Å
161G97.3Very high97Very high0 Ų011.9 Ų11.90%07%0.071CC..Hα-helixtrans-67-35.8179.200000113.3V157 G158 M164 A165 M188V157-G161 WeakPolarHBondContact O-CA 3.43Å; V157-G161 PolarHBondContact O-N 2.91Å; G158-G161 PolarHBondContact O-N 3.48Å; G161-M164 PolarHBondContact O-N 2.89Å; G161-A165 VanDerWaalsContact O-CB 3.28Å; G161-A165 WeakPolarHBondContact O-CB 3.4Å; G161-A165 PolarHBondContact O-N 3.32Å; G161-M188 WeakPolarHBondContact O-CE 3.22Å
162T96.1Very high96.9Very high0 Ų013.2 Ų13.20%08%0.077CC..Hα-helixtrans-62.9-46.2176.6-50.90000111.1W117 G158 R159 T160 M164 A165 L166 L204 L205W117-T162 HydrophobicContact CH2-CG2 3.73Å; W117-T162 HydrophobicContact CZ2-CG2 3.99Å; G158-T162 WeakPolarHBondContact O-CB 3.21Å; G158-T162 PolarHBondContact O-N 3.34Å; G158-T162 PolarHBondContact O-OG1 3.46Å; R159-T162 PolarHBondContact O-N 2.95Å; T160-T162 VanDerWaalsContact C-N 3.35Å; T160-T162 PolarHBondContact O-N 3.48Å; T162-M164 PolarHBondContact O-N 3.43Å; T162-A165 PolarHBondContact O-N 2.87Å; T162-L166 HydrophobicContact CG2-CD1 4.49Å; T162-L166 WeakPolarHBondContact O-CG 3.48Å; T162-L166 PolarHBondContact O-N 2.75Å; T162-L204 HydrophobicContact CG2-CD2 3.75Å; T162-L205 HydrophobicContact CG2-CD2 4.19Å
163F97.3Very high96.7Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-59.3-47.9175.4170.1-91000112V51 L53 I131 F134 V135 V138 V151 R159 T160 A165 L166 D167V51-F163 HydrophobicContact CB-CE1 4.48Å; V51-F163 HydrophobicContact CG1-CD1 4.29Å; V51-F163 HydrophobicContact CG1-CD2 4.37Å; V51-F163 HydrophobicContact CG1-CE1 4.03Å; V51-F163 HydrophobicContact CG1-CE2 4.09Å; V51-F163 HydrophobicContact CG1-CG 4.48Å; V51-F163 HydrophobicContact CG1-CZ 3.93Å; V51-F163 HydrophobicContact CG2-CE1 4.23Å; V51-F163 HydrophobicContact CG2-CZ 4.17Å; L53-F163 HydrophobicContact CD1-CB 3.41Å; L53-F163 VanDerWaalsContact CD1-CB 3.41Å; L53-F163 HydrophobicContact CD1-CD1 4.49Å; L53-F163 HydrophobicContact CD1-CG 3.91Å; L53-F163 HydrophobicContact CD2-CB 4.21Å; L53-F163 HydrophobicContact CD2-CD2 3.98Å; L53-F163 HydrophobicContact CD2-CG 4.2Å; L53-F163 HydrophobicContact CG-CB 4.45Å; I131-F163 HydrophobicContact CD1-CD2 4.43Å; F134-F163 HydrophobicContact CD1-CD2 4.24Å; F134-F163 AromaticContact CD1-CE2 3.82Å; F134-F163 HydrophobicContact CD1-CE2 3.82Å; F134-F163 HydrophobicContact CE1-CD2 4.29Å; F134-F163 AromaticContact CE1-CE2 3.83Å; F134-F163 HydrophobicContact CE1-CE2 3.83Å; V135-F163 HydrophobicContact CB-CE2 4.28Å; V135-F163 HydrophobicContact CG2-CD2 3.63Å; V135-F163 HydrophobicContact CG2-CE2 3.56Å; V135-F163 HydrophobicContact CG2-CZ 4.47Å; V138-F163 HydrophobicContact CB-CE2 4.46Å; V138-F163 HydrophobicContact CB-CZ 3.9Å; V138-F163 HydrophobicContact CG1-CZ 3.85Å; V138-F163 HydrophobicContact CG2-CE2 4.12Å; V138-F163 HydrophobicContact CG2-CZ 3.88Å; V151-F163 HydrophobicContact CG1-CD1 3.82Å; V151-F163 HydrophobicContact CG1-CE1 4.39Å; V151-F163 HydrophobicContact CG2-CD1 4.42Å; V151-F163 HydrophobicContact CG2-CE1 4.33Å; R159-F163 WeakPolarHBondContact O-CB 3.01Å; R159-F163 PolarHBondContact O-N 3.29Å; T160-F163 PolarHBondContact O-N 3.13Å; F163-A165 VanDerWaalsContact C-N 3.32Å; F163-A165 PolarHBondContact O-N 2.81Å; F163-L166 PolarHBondContact O-N 3.15Å; F163-D167 WeakPolarHBondContact O-CB 3.27Å; F163-D167 PolarHBondContact O-N 2.99Å
164M98.3Very high96.7Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-66.1-36.2-178.6-65.4165.766.600111.9I15 Y24 A26 V151 T160 G161 T162 R168 M188 M195I15-M164 HydrophobicContact CB-CE 3.38Å; I15-M164 HydrophobicContact CG1-CE 3.61Å; I15-M164 HydrophobicContact CG2-CE 3.57Å; Y24-M164 HydrophobicContact CD1-CE 4.21Å; Y24-M164 HydrophobicContact CD1-CG 4.32Å; Y24-M164 HydrophobicContact CD2-CE 3.39Å; Y24-M164 HydrophobicContact CE1-CG 4.48Å; Y24-M164 HydrophobicContact CE2-CE 4.12Å; Y24-M164 HydrophobicContact CG-CE 3.42Å; Y24-M164 VanDerWaalsContact CG-CE 3.42Å; Y24-M164 HydrophobicContact CG-CG 4.39Å; Y24-M164 HydrophobicContact CG-SD 4.49Å; A26-M164 HydrophobicContact CB-SD 4.32Å; V151-M164 HydrophobicContact CB-CG 4.47Å; V151-M164 HydrophobicContact CB-SD 4.27Å; V151-M164 HydrophobicContact CG1-CG 4.32Å; V151-M164 HydrophobicContact CG1-SD 4.47Å; V151-M164 HydrophobicContact CG2-CG 4.24Å; V151-M164 HydrophobicContact CG2-SD 4.42Å; T160-M164 HydrophobicContact CG2-SD 3.81Å; T160-M164 VanDerWaalsContact O-CG 3.23Å; T160-M164 WeakPolarHBondContact O-CG 3.47Å; T160-M164 PolarHBondContact O-N 2.77Å; T160-M164 VanDerWaalsContact O-N 3.09Å; G161-M164 PolarHBondContact O-N 2.89Å; T162-M164 PolarHBondContact O-N 3.43Å; M164-R168 WeakPolarHBondContact O-CB 3.38Å; M164-R168 VanDerWaalsContact O-CG 3.26Å; M164-R168 WeakPolarHBondContact O-CG 3.37Å; M164-R168 PolarHBondContact O-N 2.94Å; M164-M188 HydrophobicContact CB-CE 3.78Å; M164-M188 HydrophobicContact CE-CE 4.48Å; M164-M195 HydrophobicContact CE-CE 4.32Å; M164-M195 HydrophobicContact SD-CE 3.73Å
165A97.6Very high96.6Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-66-45.7173.800000111.4G161 T162 F163 D167 R168 L169 M184 M188 L205G161-A165 VanDerWaalsContact O-CB 3.28Å; G161-A165 WeakPolarHBondContact O-CB 3.4Å; G161-A165 PolarHBondContact O-N 3.32Å; T162-A165 PolarHBondContact O-N 2.87Å; F163-A165 VanDerWaalsContact C-N 3.32Å; F163-A165 PolarHBondContact O-N 2.81Å; A165-D167 VanDerWaalsContact C-N 3.34Å; A165-D167 PolarHBondContact O-N 3.4Å; A165-R168 PolarHBondContact O-N 3.39Å; A165-L169 WeakPolarHBondContact O-CB 3.24Å; A165-L169 VanDerWaalsContact O-CG 3.23Å; A165-L169 WeakPolarHBondContact O-CG 3.16Å; A165-L169 PolarHBondContact O-N 2.83Å; A165-M184 HydrophobicContact CB-SD 4.07Å; A165-M188 HydrophobicContact CB-SD 4.18Å; A165-L205 HydrophobicContact CB-CD1 3.6Å; A165-L205 HydrophobicContact CB-CD2 3.62Å; A165-L205 HydrophobicContact CB-CG 4.27Å
166L97.1Very high96.6Very high13 Ų1329.2 Ų29.27%0.06813%0.132CC..Hα-helixtrans-58.2-45.7174.2-72.6173.4000111.9I131 L132 V135 T162 F163 R168 L169 M170 L205I131-L166 HydrophobicContact CG1-CD1 4Å; I131-L166 HydrophobicContact CG2-CD1 4.2Å; L132-L166 HydrophobicContact CD2-CD2 4.24Å; V135-L166 HydrophobicContact CG2-CB 4.14Å; T162-L166 HydrophobicContact CG2-CD1 4.49Å; T162-L166 WeakPolarHBondContact O-CG 3.48Å; T162-L166 PolarHBondContact O-N 2.75Å; F163-L166 PolarHBondContact O-N 3.15Å; L166-R168 PolarHBondContact O-N 2.73Å; L166-L169 PolarHBondContact O-N 2.87Å; L166-M170 WeakPolarHBondContact O-CB 3.44Å; L166-M170 VanDerWaalsContact O-CG 3.24Å; L166-M170 WeakPolarHBondContact O-CG 3.26Å; L166-M170 PolarHBondContact O-N 2.75Å; L166-L205 HydrophobicContact CD2-CD2 3.77Å; L166-L205 HydrophobicContact CG-CD2 3.72Å
167D98Very high96.6Very high1 Ų139.1 Ų39.11%0.00518%0.179CC..Hα-helixtrans-62.5-41.3178.3-177.231.1000112.3Y24 V135 R139 F163 A165 Q171Y24-D167 PolarHBondContact OH-OD2 3.08Å; V135-D167 HydrophobicContact CG1-CB 3.72Å; R139-D167 IonicContact CZ-OD1 3.4Å; R139-D167 IonicContact CZ-OD2 3.08Å; R139-D167 IonicContact NE-OD1 3.78Å; R139-D167 PolarHBondContact NE-OD1 3.26Å; R139-D167 IonicContact NE-OD2 3.54Å; R139-D167 VanDerWaalsContact NH2-CG 3.29Å; R139-D167 IonicContact NH2-OD1 3.02Å; R139-D167 PolarHBondContact NH2-OD1 2.79Å; R139-D167 IonicContact NH2-OD2 3.73Å; R139-D167 PolarHBondContact NH2-OD2 3.28Å; F163-D167 WeakPolarHBondContact O-CB 3.27Å; F163-D167 PolarHBondContact O-N 2.99Å; A165-D167 VanDerWaalsContact C-N 3.34Å; A165-D167 PolarHBondContact O-N 3.4Å; D167-Q171 WeakPolarHBondContact O-CG 3.46Å; D167-Q171 PolarHBondContact O-N 2.71Å; D167-Q171 PolarHBondContact O-NE2 3.43Å; D167-Q171 PolarHBondContact OD1-NE2 2.92Å
168R97.4Very high96.5Very high29 Ų2944.8 Ų44.811%0.10920%0.202CC..Hα-helixtrans-65-46.6172.9-72.8171.772171.41.9111.7P16 M164 A165 L166 Q171 H172 M184 D187 M188P16-R168 PolarHBondContact O-NH1 3.09Å; M164-R168 WeakPolarHBondContact O-CB 3.38Å; M164-R168 VanDerWaalsContact O-CG 3.26Å; M164-R168 WeakPolarHBondContact O-CG 3.37Å; M164-R168 PolarHBondContact O-N 2.94Å; A165-R168 PolarHBondContact O-N 3.39Å; L166-R168 PolarHBondContact O-N 2.73Å; R168-Q171 PolarHBondContact O-N 3.37Å; R168-H172 WeakPolarHBondContact O-CB 3.18Å; R168-H172 PolarHBondContact O-N 3.3Å; R168-M184 HydrophobicContact CB-CE 3.87Å; R168-M184 HydrophobicContact CB-SD 3.75Å; R168-D187 IonicContact CZ-OD2 3.6Å; R168-D187 IonicContact NH1-OD2 2.73Å; R168-D187 PolarHBondContact NH1-OD2 2.91Å; R168-D187 IonicContact NH2-OD2 3.28Å; R168-D187 PolarHBondContact NH2-OD2 3.43Å; R168-M188 VanDerWaalsContact NH1-CG 3.29Å
169L97.1Very high96.6Very high13 Ų1348.2 Ų48.27%0.06822%0.223CC..Hα-helixtrans-61.7-47.1-180-74.7167.2000111.4A165 L166 Q171 H172 I173 V179 I181 M184 L205A165-L169 WeakPolarHBondContact O-CB 3.24Å; A165-L169 VanDerWaalsContact O-CG 3.23Å; A165-L169 WeakPolarHBondContact O-CG 3.16Å; A165-L169 PolarHBondContact O-N 2.83Å; L166-L169 PolarHBondContact O-N 2.87Å; L169-Q171 PolarHBondContact O-N 2.9Å; L169-H172 PolarHBondContact O-N 3.37Å; L169-I173 WeakPolarHBondContact O-CG1 3.21Å; L169-I173 WeakPolarHBondContact O-CG2 3.07Å; L169-I173 PolarHBondContact O-N 2.91Å; L169-V179 HydrophobicContact CD2-CB 4.28Å; L169-V179 HydrophobicContact CD2-CG1 4.07Å; L169-I181 HydrophobicContact CD1-CG1 4.29Å; L169-I181 HydrophobicContact CD2-CG1 4.1Å; L169-M184 HydrophobicContact CD2-CE 3.63Å; L169-M184 HydrophobicContact CD2-SD 4.41Å; L169-M184 HydrophobicContact CG-CE 3.79Å; L169-M184 HydrophobicContact CG-SD 4.07Å; L169-L205 HydrophobicContact CD1-CB 4.08Å; L169-L205 HydrophobicContact CD1-CD2 4.14Å
170M96.1Very high96.6Very high36 Ų3651.5 Ų51.518%0.17724%0.242CC..Hα-helixtrans-61.7-24.9179.4-75.2-178.773.800113.5L132 V135 H136 L166 R174L132-M170 HydrophobicContact CD2-CG 4.3Å; L132-M170 HydrophobicContact CD2-SD 3.67Å; V135-M170 HydrophobicContact CB-SD 3.9Å; V135-M170 HydrophobicContact CG1-SD 3.45Å; V135-M170 WeakPolarHBondContact CG1-SD 3.49Å; H136-M170 HydrophobicContact CB-CE 4.45Å; L166-M170 WeakPolarHBondContact O-CB 3.44Å; L166-M170 VanDerWaalsContact O-CG 3.24Å; L166-M170 WeakPolarHBondContact O-CG 3.26Å; L166-M170 PolarHBondContact O-N 2.75Å; M170-R174 WeakPolarHBondContact O-CD 3.28Å; M170-R174 WeakPolarHBondContact O-CG 3.43Å; M170-R174 PolarHBondContact O-NE 3.01Å; M170-R174 VanDerWaalsContact O-NE 3.07Å
171Q96.9Very high96.5Very high9 Ų953.4 Ų53.44%0.04225%0.252CS..Hα-helixtrans-80.8-48.1170.2-68.5170.988.800110.9Y18 D167 R168 L169 I173 R174Y18-Q171 HydrophobicContact CD1-CB 3.57Å; Y18-Q171 HydrophobicContact CD1-CG 4.41Å; Y18-Q171 HydrophobicContact CD2-CB 4.4Å; Y18-Q171 HydrophobicContact CE1-CB 4Å; Y18-Q171 HydrophobicContact CG-CB 3.79Å; D167-Q171 WeakPolarHBondContact O-CG 3.46Å; D167-Q171 PolarHBondContact O-N 2.71Å; D167-Q171 PolarHBondContact O-NE2 3.43Å; D167-Q171 PolarHBondContact OD1-NE2 2.92Å; R168-Q171 PolarHBondContact O-N 3.37Å; L169-Q171 PolarHBondContact O-N 2.9Å; Q171-I173 PolarHBondContact O-N 3.17Å; Q171-R174 WeakPolarHBondContact O-CB 3.27Å; Q171-R174 PolarHBondContact O-N 2.83Å; Q171-R174 VanDerWaalsContact O-N 3.16Å
172H96.9Very high96.4Very high27 Ų2759.8 Ų59.813%0.12529%0.285CS..Hα-helixtrans-57.3-47.5-177.5-17470.7000113.2Y18 R168 L169 R174 E175 H176 F178Y18-H172 HydrophobicContact CD2-CB 4.23Å; Y18-H172 HydrophobicContact CE2-CB 3.66Å; Y18-H172 AromaticContact CE2-ND1 3.63Å; R168-H172 WeakPolarHBondContact O-CB 3.18Å; R168-H172 PolarHBondContact O-N 3.3Å; L169-H172 PolarHBondContact O-N 3.37Å; H172-R174 PolarHBondContact O-N 3.46Å; H172-R174 VanDerWaalsContact O-N 3.08Å; H172-E175 PolarHBondContact O-N 2.83Å; H172-H176 AromaticContact CE1-CD2 3.87Å; H172-H176 AromaticContact CE1-CG 3.36Å; H172-H176 AromaticContact CE1-ND1 3.49Å; H172-H176 PolarHBondContact CE1-ND1 2.81Å; H172-H176 AromaticContact ND1-CE1 3.89Å; H172-H176 AromaticContact ND1-CG 3.68Å; H172-H176 AromaticContact ND1-ND1 3.3Å; H172-H176 PolarHBondContact ND1-ND1 2.88Å; H172-H176 AromaticContact NE2-CG 3.9Å; H172-H176 PolarHBondContact O-N 3.1Å; H172-H176 PolarHBondContact O-ND1 2.91Å; H172-F178 PolarHBondContact CD2-O 3.04Å; H172-F178 PolarHBondContact NE2-O 2.83Å
173I96.3Very high96.4Very high100 Ų10061.2 Ų61.251%0.51330%0.3SS..THydrogen-bonded Turntrans-65.9-11.8-178.267.3-179.6000113.9L169 Q171 E175 V179L169-I173 WeakPolarHBondContact O-CG1 3.21Å; L169-I173 WeakPolarHBondContact O-CG2 3.07Å; L169-I173 PolarHBondContact O-N 2.91Å; Q171-I173 PolarHBondContact O-N 3.17Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-V179 HydrophobicContact CG2-CG1 3.69Å
174R94.8Very high96.4Very high154 Ų15462.2 Ų62.258%0.58131%0.305SS*.THydrogen-bonded Turntrans-80.8-21.5173.3-63.1175.9-171.2-178.52.3112.3M170 Q171 H172M170-R174 WeakPolarHBondContact O-CD 3.28Å; M170-R174 WeakPolarHBondContact O-CG 3.43Å; M170-R174 PolarHBondContact O-NE 3.01Å; M170-R174 VanDerWaalsContact O-NE 3.07Å; Q171-R174 WeakPolarHBondContact O-CB 3.27Å; Q171-R174 PolarHBondContact O-N 2.83Å; Q171-R174 VanDerWaalsContact O-N 3.16Å; H172-R174 PolarHBondContact O-N 3.46Å; H172-R174 VanDerWaalsContact O-N 3.08Å
175E95.1Very high96.3Very high114 Ų11462.8 Ų62.853%0.53331%0.308SS..THydrogen-bonded Turntrans-117-14-172-65.9174.6-169.400112.1Y18 H172 I173Y18-E175 WeakPolarHBondContact CE1-OE2 3.48Å; Y18-E175 PolarHBondContact OH-OE2 3.39Å; H172-E175 PolarHBondContact O-N 2.83Å; I173-E175 VanDerWaalsContact C-N 3.35Å
176H96.7Very high96.2Very high75 Ų7566.6 Ų66.635%0.34734%0.335SS..  trans-139.8150.7-172.5-55.781.5000111.7Y18 H172 F178Y18-H176 PolarHBondContact OH-CE1 3.35Å; Y18-H176 PolarHBondContact OH-ND1 3.47Å; H172-H176 AromaticContact CE1-CD2 3.87Å; H172-H176 AromaticContact CE1-CG 3.36Å; H172-H176 AromaticContact CE1-ND1 3.49Å; H172-H176 PolarHBondContact CE1-ND1 2.81Å; H172-H176 AromaticContact ND1-CE1 3.89Å; H172-H176 AromaticContact ND1-CG 3.68Å; H172-H176 AromaticContact ND1-ND1 3.3Å; H172-H176 PolarHBondContact ND1-ND1 2.88Å; H172-H176 AromaticContact NE2-CG 3.9Å; H172-H176 PolarHBondContact O-N 3.1Å; H172-H176 PolarHBondContact O-ND1 2.91Å; H176-F178 HydrophobicContact CB-CD1 4.21Å; H176-F178 HydrophobicContact CB-CE1 4.17Å; H176-F178 AromaticContact CD2-CE1 3.91Å
177E95.1Very high96.2Very high208 Ų20868.3 Ų68.397%0.97234%0.344SS*.SBendtrans-98.46.9179.1-60.9-175160.600113.5
178F95.6Very high96.2Very high132 Ų13268.3 Ų68.358%0.57934%0.344SS*.  trans-127.9164.7177.673.2-85000110.3H172 H176H172-F178 PolarHBondContact CD2-O 3.04Å; H172-F178 PolarHBondContact NE2-O 2.83Å; H176-F178 HydrophobicContact CB-CD1 4.21Å; H176-F178 HydrophobicContact CB-CE1 4.17Å; H176-F178 AromaticContact CD2-CE1 3.91Å
179V96Very high96.2Very high75 Ų7572.8 Ų72.846%0.45536%0.361SS..  trans-140.8139.3173.2-69.20000109.5L169 I173L169-V179 HydrophobicContact CD2-CB 4.28Å; L169-V179 HydrophobicContact CD2-CG1 4.07Å; I173-V179 HydrophobicContact CG2-CG1 3.69Å
180D95.8Very high96.3Very high95 Ų9576.5 Ų76.551%0.50839%0.388SS..  trans-121.480.8170.6-177.911.9000110.1L182 G183 M184D180-L182 VanDerWaalsContact C-N 3.31Å; D180-L182 PolarHBondContact O-N 2.89Å; D180-L182 PolarHBondContact OD1-N 2.68Å; D180-G183 PolarHBondContact OD1-N 3.41Å; D180-G183 WeakPolarHBondContact OD2-CA 3.29Å; D180-M184 WeakPolarHBondContact O-CB 3.27Å; D180-M184 PolarHBondContact O-N 3.13Å
181I95.3Very high96.3Very high40 Ų4078.2 Ų78.221%0.20540%0.395CS..Hα-helixtrans-64.4-39.5-179-62.9162.5000110.4L169 M184 V185 L205L169-I181 HydrophobicContact CD1-CG1 4.29Å; L169-I181 HydrophobicContact CD2-CG1 4.1Å; I181-M184 PolarHBondContact O-N 2.73Å; I181-V185 HydrophobicContact CG2-CG2 4.35Å; I181-V185 WeakPolarHBondContact O-CG2 3.48Å; I181-V185 PolarHBondContact O-N 3.1Å; I181-L205 HydrophobicContact CD1-CB 4.44Å; I181-L205 WeakPolarHBondContact CD1-O 3.49Å; I181-L205 WeakPolarHBondContact CD1-OXT 3.44Å; I181-L205 HydrophobicContact CG2-CB 3.8Å; I181-L205 HydrophobicContact CG2-CD1 4.09Å
182L95Very high96.4Very high135 Ų13578.5 Ų78.571%0.70740%0.396SS*.Hα-helixtrans-66.1-46.6-179.5-70.6177.7000111.4D180 M184 V185 S186D180-L182 VanDerWaalsContact C-N 3.31Å; D180-L182 PolarHBondContact O-N 2.89Å; D180-L182 PolarHBondContact OD1-N 2.68Å; L182-M184 VanDerWaalsContact C-N 3.33Å; L182-M184 PolarHBondContact O-N 3.33Å; L182-V185 PolarHBondContact O-N 2.83Å; L182-S186 VanDerWaalsContact O-CB 3.24Å; L182-S186 WeakPolarHBondContact O-CB 3.39Å; L182-S186 PolarHBondContact O-N 2.83Å
183G96.6Very high96.3Very high29 Ų2984.1 Ų84.130%0.29943%0.426SS..Hα-helixtrans-60.4-42.6173.900000111.9D180 S186 D187D180-G183 PolarHBondContact OD1-N 3.41Å; D180-G183 WeakPolarHBondContact OD2-CA 3.29Å; G183-S186 WeakPolarHBondContact O-CB 3.49Å; G183-S186 PolarHBondContact O-N 3.44Å; G183-D187 WeakPolarHBondContact O-CB 3.46Å; G183-D187 PolarHBondContact O-N 3.4Å
184M96.5Very high96.2Very high22 Ų2282.4 Ų82.411%0.10842%0.423CS..Hα-helixtrans-62-48.3176.9-174.7-175.8-60.400112.6A165 R168 L169 D180 I181 L182 S186 D187 M188A165-M184 HydrophobicContact CB-SD 4.07Å; R168-M184 HydrophobicContact CB-CE 3.87Å; R168-M184 HydrophobicContact CB-SD 3.75Å; L169-M184 HydrophobicContact CD2-CE 3.63Å; L169-M184 HydrophobicContact CD2-SD 4.41Å; L169-M184 HydrophobicContact CG-CE 3.79Å; L169-M184 HydrophobicContact CG-SD 4.07Å; D180-M184 WeakPolarHBondContact O-CB 3.27Å; D180-M184 PolarHBondContact O-N 3.13Å; I181-M184 PolarHBondContact O-N 2.73Å; L182-M184 VanDerWaalsContact C-N 3.33Å; L182-M184 PolarHBondContact O-N 3.33Å; M184-S186 VanDerWaalsContact C-N 3.31Å; M184-S186 PolarHBondContact O-N 3.28Å; M184-D187 PolarHBondContact O-N 3.02Å; M184-M188 HydrophobicContact CG-SD 4.28Å; M184-M188 VanDerWaalsContact O-CG 3.32Å; M184-M188 WeakPolarHBondContact O-CG 3.43Å; M184-M188 PolarHBondContact O-N 3.35Å
185V96.4Very high96.3Very high11 Ų1175.1 Ų75.17%0.06740%0.396CS..Hα-helixtrans-66-37.5178.4173.30000110.8I181 L182 M188 R189 V196 L205I181-V185 HydrophobicContact CG2-CG2 4.35Å; I181-V185 WeakPolarHBondContact O-CG2 3.48Å; I181-V185 PolarHBondContact O-N 3.1Å; L182-V185 PolarHBondContact O-N 2.83Å; V185-M188 PolarHBondContact O-N 2.94Å; V185-R189 HydrophobicContact CG1-CG 4.45Å; V185-R189 WeakPolarHBondContact O-CB 3.26Å; V185-R189 VanDerWaalsContact O-CG 3.31Å; V185-R189 WeakPolarHBondContact O-CG 3.37Å; V185-R189 PolarHBondContact O-N 3.47Å; V185-V196 HydrophobicContact CG1-CB 4.06Å; V185-V196 HydrophobicContact CG1-CG2 4.35Å; V185-V196 HydrophobicContact CG2-CB 4.31Å; V185-V196 HydrophobicContact CG2-CG2 3.94Å; V185-L205 HydrophobicContact CG2-CD1 4Å
186S96.6Very high96.2Very high80 Ų8069.7 Ų69.756%0.55937%0.371SS*.Hα-helixtrans-60.5-47.1174.5-170.60000111.8L182 G183 M184 M188 R189 S190L182-S186 VanDerWaalsContact O-CB 3.24Å; L182-S186 WeakPolarHBondContact O-CB 3.39Å; L182-S186 PolarHBondContact O-N 2.83Å; G183-S186 WeakPolarHBondContact O-CB 3.49Å; G183-S186 PolarHBondContact O-N 3.44Å; M184-S186 VanDerWaalsContact C-N 3.31Å; M184-S186 PolarHBondContact O-N 3.28Å; S186-M188 PolarHBondContact O-N 3.09Å; S186-R189 PolarHBondContact O-N 2.82Å; S186-R189 VanDerWaalsContact O-N 3.16Å; S186-S190 PolarHBondContact O-N 3.23Å; S186-S190 VanDerWaalsContact O-N 3.09Å
187D97Very high95.7Very high50 Ų5071.8 Ų71.827%0.26738%0.38SS..Hα-helixtrans-59-44.4173.9167.565.5000112.1R168 G183 M184 R189 S190 H191R168-D187 IonicContact CZ-OD2 3.6Å; R168-D187 IonicContact NH1-OD2 2.73Å; R168-D187 PolarHBondContact NH1-OD2 2.91Å; R168-D187 IonicContact NH2-OD2 3.28Å; R168-D187 PolarHBondContact NH2-OD2 3.43Å; G183-D187 WeakPolarHBondContact O-CB 3.46Å; G183-D187 PolarHBondContact O-N 3.4Å; M184-D187 PolarHBondContact O-N 3.02Å; D187-R189 VanDerWaalsContact C-N 3.28Å; D187-R189 PolarHBondContact O-N 2.8Å; D187-S190 PolarHBondContact O-N 3.41Å; D187-S190 PolarHBondContact O-OG 3.21Å; D187-H191 PolarHBondContact O-ND1 3.09Å; D187-H191 IonicContact OD1-CE1 2.79Å; D187-H191 IonicContact OD1-ND1 3.54Å
188M97.9Very high95.3Very high0 Ų064.6 Ų64.60%035%0.351CS..Hα-helixtrans-63.6-36.7176.1-67.8174.662.900112.1I15 G161 M164 A165 R168 M184 V185 S186 S190 H191 R192 M195I15-M188 HydrophobicContact CG2-CG 4.19Å; G161-M188 WeakPolarHBondContact O-CE 3.22Å; M164-M188 HydrophobicContact CB-CE 3.78Å; M164-M188 HydrophobicContact CE-CE 4.48Å; A165-M188 HydrophobicContact CB-SD 4.18Å; R168-M188 VanDerWaalsContact NH1-CG 3.29Å; M184-M188 HydrophobicContact CG-SD 4.28Å; M184-M188 VanDerWaalsContact O-CG 3.32Å; M184-M188 WeakPolarHBondContact O-CG 3.43Å; M184-M188 PolarHBondContact O-N 3.35Å; V185-M188 PolarHBondContact O-N 2.94Å; S186-M188 PolarHBondContact O-N 3.09Å; M188-S190 VanDerWaalsContact C-N 3.32Å; M188-S190 PolarHBondContact O-N 3Å; M188-H191 PolarHBondContact O-N 3.19Å; M188-R192 PolarHBondContact O-N 2.94Å; M188-M195 HydrophobicContact CB-CB 3.85Å; M188-M195 HydrophobicContact CB-CG 4.22Å; M188-M195 HydrophobicContact CE-CB 4.39Å; M188-M195 HydrophobicContact CE-CE 3.54Å
189R97.6Very high94.7Very high124 Ų12465.5 Ų65.547%0.46836%0.357SS..Hα-helixtrans-70.6-22.8178.1-75.6179178.9-169.42.6113.9V185 S186 D187 H191 R192 M195 V196V185-R189 HydrophobicContact CG1-CG 4.45Å; V185-R189 WeakPolarHBondContact O-CB 3.26Å; V185-R189 VanDerWaalsContact O-CG 3.31Å; V185-R189 WeakPolarHBondContact O-CG 3.37Å; V185-R189 PolarHBondContact O-N 3.47Å; S186-R189 PolarHBondContact O-N 2.82Å; S186-R189 VanDerWaalsContact O-N 3.16Å; D187-R189 VanDerWaalsContact C-N 3.28Å; D187-R189 PolarHBondContact O-N 2.8Å; R189-H191 PolarHBondContact O-N 3.21Å; R189-R192 WeakPolarHBondContact CA-O 3.19Å; R189-M195 HydrophobicContact CG-CB 4.19Å; R189-M195 PolarHBondContact NE-O 2.93Å; R189-V196 PolarHBondContact NH2-O 3.39Å
190S97.5Very high94.1Very high91 Ų9167.1 Ų67.164%0.63636%0.359SS*.Hα-helixtrans-73.3-17.8171.873.40000113S186 D187 M188S186-S190 PolarHBondContact O-N 3.23Å; S186-S190 VanDerWaalsContact O-N 3.09Å; D187-S190 PolarHBondContact O-N 3.41Å; D187-S190 PolarHBondContact O-OG 3.21Å; M188-S190 VanDerWaalsContact C-N 3.32Å; M188-S190 PolarHBondContact O-N 3Å
191H97.5Very high93.5Very high71 Ų7163.4 Ų63.433%0.32934%0.339SS..Hα-helixtrans-101.7-32.3-179.8-65.186.4000113.2N13 I15 P16 D187 M188 R189N13-H191 WeakPolarHBondContact CB-O 3.31Å; N13-H191 PolarHBondContact ND2-O 3.18Å; I15-H191 HydrophobicContact CD1-CB 3.67Å; P16-H191 VanDerWaalsContact CG-CE1 3.49Å; P16-H191 WeakPolarHBondContact CG-CE1 3.46Å; P16-H191 WeakPolarHBondContact CG-NE2 3.46Å; D187-H191 PolarHBondContact O-ND1 3.09Å; D187-H191 IonicContact OD1-CE1 2.79Å; D187-H191 IonicContact OD1-ND1 3.54Å; M188-H191 PolarHBondContact O-N 3.19Å; R189-H191 PolarHBondContact O-N 3.21Å
192R97.9Very high92.9Very high15 Ų1563.4 Ų63.46%0.05734%0.342CS..SBendtrans-146.7133172.7-176.5169.5178.484.2-1.2110.3N11 N13 I15 A155 G156 V157 M188 R189 S194 M195N11-R192 PolarHBondContact OD1-NH1 2.95Å; N11-R192 PolarHBondContact OD1-NH2 2.96Å; N13-R192 HydrophobicContact CB-CB 4.05Å; N13-R192 HydrophobicContact CB-CG 4.43Å; N13-R192 PolarHBondContact OD1-NH1 2.83Å; I15-R192 HydrophobicContact CD1-CB 3.63Å; A155-R192 PolarHBondContact O-NH2 2.87Å; A155-R192 VanDerWaalsContact O-NH2 3.09Å; G156-R192 WeakPolarHBondContact O-CD 3.26Å; G156-R192 PolarHBondContact O-NE 3.13Å; V157-R192 HydrophobicContact CG1-CG 4.36Å; M188-R192 PolarHBondContact O-N 2.94Å; R189-R192 WeakPolarHBondContact CA-O 3.19Å; R192-S194 PolarHBondContact O-N 3.12Å; R192-M195 HydrophobicContact CB-CG 3.87Å; R192-M195 HydrophobicContact CB-SD 4.09Å; R192-M195 HydrophobicContact CG-CG 4.37Å; R192-M195 HydrophobicContact CG-SD 4.12Å; R192-M195 VanDerWaalsContact O-CG 3.26Å; R192-M195 WeakPolarHBondContact O-CG 3.39Å
193L94.5Very high92.4Very high145 Ų14562.2 Ų62.276%0.75934%0.34SS*.THydrogen-bonded Turntrans-57.9140-177.9-74157.7000111.5V157 M195V157-L193 VanDerWaalsContact CG1-O 3.23Å; V157-L193 WeakPolarHBondContact CG1-O 3.36Å; L193-M195 PolarHBondContact O-N 3.14Å
194S94.5Very high91.8Very high65 Ų6562 Ų6246%0.45533%0.332SS..THydrogen-bonded Turntrans61.721.6170.3-53.90000116.3R192 V196R192-S194 PolarHBondContact O-N 3.12Å; S194-V196 CarbonylContact O-C 3.6Å; S194-V196 PolarHBondContact O-N 2.72Å
195M96.9Very high91.2Very high0 Ų063 Ų630%034%0.338CS..SBendtrans-53.8131.6169.2-68.1-61.4-81.200110I15 A26 V157 T160 M164 M188 R189 R192 L193I15-M195 HydrophobicContact CG1-CE 4.44Å; A26-M195 HydrophobicContact CB-CE 4.2Å; V157-M195 HydrophobicContact CB-SD 4.4Å; T160-M195 HydrophobicContact CG2-CE 4.25Å; M164-M195 HydrophobicContact CE-CE 4.32Å; M164-M195 HydrophobicContact SD-CE 3.73Å; M188-M195 HydrophobicContact CB-CB 3.85Å; M188-M195 HydrophobicContact CB-CG 4.22Å; M188-M195 HydrophobicContact CE-CB 4.39Å; M188-M195 HydrophobicContact CE-CE 3.54Å; R189-M195 HydrophobicContact CG-CB 4.19Å; R189-M195 PolarHBondContact NE-O 2.93Å; R192-M195 HydrophobicContact CB-CG 3.87Å; R192-M195 HydrophobicContact CB-SD 4.09Å; R192-M195 HydrophobicContact CG-CG 4.37Å; R192-M195 HydrophobicContact CG-SD 4.12Å; R192-M195 VanDerWaalsContact O-CG 3.26Å; R192-M195 WeakPolarHBondContact O-CG 3.39Å; L193-M195 PolarHBondContact O-N 3.14Å
196V92.5Very high91Very high1 Ų165.7 Ų65.71%0.00635%0.351CS..SBendtrans56.493.2-164.5-172.90000110V157 V185 R189 S194 Q201 C202 L205V157-V196 PolarHBondContact O-N 2.68Å; V185-V196 HydrophobicContact CG1-CB 4.06Å; V185-V196 HydrophobicContact CG1-CG2 4.35Å; V185-V196 HydrophobicContact CG2-CB 4.31Å; V185-V196 HydrophobicContact CG2-CG2 3.94Å; R189-V196 PolarHBondContact NH2-O 3.39Å; S194-V196 CarbonylContact O-C 3.6Å; S194-V196 PolarHBondContact O-N 2.72Å; V196-Q201 HydrophobicContact CG1-CB 3.85Å; V196-C202 HydrophobicContact CG1-CB 4.13Å; V196-L205 HydrophobicContact CG1-CD1 4.3Å; V196-L205 HydrophobicContact CG2-CD1 4.04Å
197Q87.2Confident90.7Very high118 Ų11864.9 Ų64.955%0.55134%0.34SS*.  trans-85.1-32.4-161.1-173.1178.727.400113.3
198T86.8Confident90.3Very high57 Ų5765.7 Ų65.735%0.3534%0.344SS..SBendtrans-120.5154.8-172.770.30000111.8H200 Q201 C202T198-H200 VanDerWaalsContact C-N 3.25Å; T198-H200 PolarHBondContact O-N 3.33Å; T198-Q201 WeakPolarHBondContact O-CB 3.4Å; T198-Q201 PolarHBondContact O-N 2.85Å; T198-Q201 VanDerWaalsContact O-N 3.15Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.47Å; T198-Q201 PolarHBondContact OG1-N 2.82Å; T198-C202 PolarHBondContact O-N 3.35Å; T198-C202 VanDerWaalsContact O-N 3.1Å
199E82.9Confident89.9Confident152 Ų15269.6 Ų69.671%0.7137%0.365SS*.Hα-helixtrans-54.9-43.9173.1-178.4-177.4176.800111.5Q201 C202 V203E199-Q201 VanDerWaalsContact C-N 3.33Å; E199-Q201 PolarHBondContact O-N 3.16Å; E199-C202 CarbonylContact O-C 3.54Å; E199-C202 WeakPolarHBondContact O-CA 3.1Å; E199-C202 WeakPolarHBondContact O-CB 3.42Å; E199-C202 PolarHBondContact O-N 3.24Å; E199-V203 HydrophobicContact CG-CG2 4.39Å; E199-V203 WeakPolarHBondContact O-CG2 3.43Å; E199-V203 PolarHBondContact O-N 3.2Å
200H83.7Confident89.4Confident109 Ų10966.2 Ų66.251%0.50536%0.358SS..Hα-helixtrans-57-46.2177.3-6878.7000111.2V122 T198 C202 V203 L204V122-H200 HydrophobicContact CG1-CB 4.05Å; V122-H200 WeakPolarHBondContact CG1-O 3.45Å; T198-H200 VanDerWaalsContact C-N 3.25Å; T198-H200 PolarHBondContact O-N 3.33Å; H200-C202 VanDerWaalsContact C-N 3.25Å; H200-C202 PolarHBondContact O-N 2.94Å; H200-V203 PolarHBondContact O-N 2.74Å; H200-V203 VanDerWaalsContact O-N 3.15Å; H200-L204 PolarHBondContact O-N 3.1Å
201Q82.3Confident88.8Confident16 Ų1664.5 Ų64.58%0.07534%0.34CS..Hα-helixtrans-61.9-33.6175.8-73.9166.7-600112.6V196 T198 E199 L204V196-Q201 HydrophobicContact CG1-CB 3.85Å; T198-Q201 WeakPolarHBondContact O-CB 3.4Å; T198-Q201 PolarHBondContact O-N 2.85Å; T198-Q201 VanDerWaalsContact O-N 3.15Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.47Å; T198-Q201 PolarHBondContact OG1-N 2.82Å; E199-Q201 VanDerWaalsContact C-N 3.33Å; E199-Q201 PolarHBondContact O-N 3.16Å; Q201-L204 WeakPolarHBondContact O-CB 3.4Å; Q201-L204 PolarHBondContact O-N 3.22Å
202C83.6Confident88.2Confident41 Ų4164.1 Ų64.128%0.27734%0.34SS..Hα-helixtrans-71.4-36.5174.8-164.80000112.3V196 T198 E199 H200 L204 L205V196-C202 HydrophobicContact CG1-CB 4.13Å; T198-C202 PolarHBondContact O-N 3.35Å; T198-C202 VanDerWaalsContact O-N 3.1Å; E199-C202 CarbonylContact O-C 3.54Å; E199-C202 WeakPolarHBondContact O-CA 3.1Å; E199-C202 WeakPolarHBondContact O-CB 3.42Å; E199-C202 PolarHBondContact O-N 3.24Å; H200-C202 VanDerWaalsContact C-N 3.25Å; H200-C202 PolarHBondContact O-N 2.94Å; C202-L204 PolarHBondContact O-N 3.2Å; C202-L205 PolarHBondContact O-N 2.89Å
203V84.1Confident87.5Confident109 Ų10967.8 Ų67.866%0.66136%0.362SS*.Hα-helixtrans-69.4-22175.9171.10000112.2E199 H200 L205E199-V203 HydrophobicContact CG-CG2 4.39Å; E199-V203 WeakPolarHBondContact O-CG2 3.43Å; E199-V203 PolarHBondContact O-N 3.2Å; H200-V203 PolarHBondContact O-N 2.74Å; H200-V203 VanDerWaalsContact O-N 3.15Å; V203-L205 VanDerWaalsContact C-N 3.34Å
204L83.4Confident86.9Confident25 Ų2561.4 Ų61.413%0.13133%0.329CS..Hα-helixtrans-69-31.8172.8-174.859.7000113.4V122 P123 I128 T162 H200 Q201 C202V122-L204 HydrophobicContact CB-CB 4.38Å; V122-L204 HydrophobicContact CB-CD1 4.2Å; V122-L204 HydrophobicContact CG1-CB 3.63Å; V122-L204 HydrophobicContact CG1-CD1 4.36Å; V122-L204 HydrophobicContact CG1-CD2 4.25Å; V122-L204 HydrophobicContact CG1-CG 4.29Å; P123-L204 HydrophobicContact CG-CD2 4.12Å; I128-L204 HydrophobicContact CD1-CD1 3.95Å; I128-L204 HydrophobicContact CG1-CD1 3.82Å; T162-L204 HydrophobicContact CG2-CD2 3.75Å; H200-L204 PolarHBondContact O-N 3.1Å; Q201-L204 WeakPolarHBondContact O-CB 3.4Å; Q201-L204 PolarHBondContact O-N 3.22Å; C202-L204 PolarHBondContact O-N 3.2Å
205L84.9Confident86.2Confident44 Ų4461.1 Ų61.123%0.2332%0.318CS..  trans-77.50-177.2-61.4176.5000110.3T162 A165 L166 L169 I181 V185 V196 C202 V203T162-L205 HydrophobicContact CG2-CD2 4.19Å; A165-L205 HydrophobicContact CB-CD1 3.6Å; A165-L205 HydrophobicContact CB-CD2 3.62Å; A165-L205 HydrophobicContact CB-CG 4.27Å; L166-L205 HydrophobicContact CD2-CD2 3.77Å; L166-L205 HydrophobicContact CG-CD2 3.72Å; L169-L205 HydrophobicContact CD1-CB 4.08Å; L169-L205 HydrophobicContact CD1-CD2 4.14Å; I181-L205 HydrophobicContact CD1-CB 4.44Å; I181-L205 WeakPolarHBondContact CD1-O 3.49Å; I181-L205 WeakPolarHBondContact CD1-OXT 3.44Å; I181-L205 HydrophobicContact CG2-CB 3.8Å; I181-L205 HydrophobicContact CG2-CD1 4.09Å; V185-L205 HydrophobicContact CG2-CD1 4Å; V196-L205 HydrophobicContact CG1-CD1 4.3Å; V196-L205 HydrophobicContact CG2-CD1 4.04Å; C202-L205 PolarHBondContact O-N 2.89Å; V203-L205 VanDerWaalsContact C-N 3.34Å

Retrieved 205 of 205 residues in 171.3 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).