A0A087YRC0_POEFO Loading...

ADP-ribosylation factor-like protein 11

May play a role in apoptosis. May act as a tumor suppressor.

AlphaFold DB (A0A3B3URG9), UniProt , Accession A0A087YRC0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 201 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.4Very low37.7Very low254 Ų254147.7 Ų147.7100%1.25184%0.842SS**  0122.90-77.1-159.5-97.200108
2G33.5Very low38Very low79 Ų79144.5 Ų144.581%0.81483%0.827SS**  trans157.498.4-179.100000111
3N36.7Very low38.7Very low154 Ų154140.3 Ų140.382%0.82481%0.812SS**  trans-70.4168.8-174.9-72.1-19000114.7
4Q33.7Very low39.2Very low183 Ų183141.9 Ų141.986%0.85581%0.805SS**  trans133.1104.3136.4-70.5170.828.900110.3
5L39.5Very low40Very low162 Ų162137.3 Ų137.385%0.84878%0.777SS**  49.3135.176.6-79.1173.7000114.7
6T35Very low40.4Very low120 Ų120134 Ų13474%0.73676%0.762SS**  trans84.9133.4168810000115.8
7D31.9Very low41.1Very low143 Ų143131 Ų13177%0.76575%0.752SS**  cis-151.5143.311.7-95.2-42.5000110.9A9D7-A9 PolarHBondContact O-N 3.38Å; D7-A9 VanDerWaalsContact O-N 3.08Å
8I41.3Very low41.6Very low165 Ų165134.2 Ų134.285%0.84676%0.756SS**  trans-67.3100.7162.9-63.6165000106.5P10I8-P10 WeakPolarHBondContact O-CD 3.47Å
9A36.2Very low43.3Very low86 Ų86133.6 Ų133.671%0.71175%0.746SS**  trans-64.5123.1172.300000109.2D7D7-A9 PolarHBondContact O-N 3.38Å; D7-A9 VanDerWaalsContact O-N 3.08Å
10P40.9Very low45.6Very low100 Ų100128.7 Ų128.765%0.64972%0.721SS**  trans-68.7140.717528-31.4000108.9I8 T12I8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-T12 VanDerWaalsContact C-N 3.26Å; P10-T12 PolarHBondContact O-N 3.21Å
11N43.5Very low48Very low179 Ų179122.8 Ų122.896%0.95769%0.688SS**  trans-51.585.8170.9-90-43.7000111.1S13N11-S13 PolarHBondContact O-N 3.07Å
12T41.6Very low50.6Low109 Ų109115.4 Ų115.467%0.66965%0.65SS**  trans-82.7111.8170.645.40000107P10 F14P10-T12 VanDerWaalsContact C-N 3.26Å; P10-T12 PolarHBondContact O-N 3.21Å; T12-F14 PolarHBondContact O-N 2.72Å
13S46.3Very low53.7Low90 Ų90111.7 Ų111.763%0.62961%0.611SS**  trans-61.689.9172.553.90000109.2N11 L15N11-S13 PolarHBondContact O-N 3.07Å; S13-L15 PolarHBondContact O-N 3.17Å
14F45.9Very low56.6Low163 Ų163104.3 Ų104.372%0.71557%0.572SS**  trans-6996.4177.9-140.2-95000107.8T12T12-F14 PolarHBondContact O-N 2.72Å
15L51.1Low59.7Low73 Ų7396.2 Ų96.238%0.38254%0.535SS..  trans-70.9129.8152.7-70.2162.7000105.5S13 S17 L187S13-L15 PolarHBondContact O-N 3.17Å; L15-S17 PolarHBondContact O-N 3.41Å; L15-S17 VanDerWaalsContact O-N 3.11Å; L15-L187 HydrophobicContact CD1-CD1 3.64Å; L15-L187 HydrophobicContact CD1-CD2 3.31Å; L15-L187 HydrophobicContact CD1-CG 4.05Å; L15-L187 HydrophobicContact CD2-CD2 4.45Å
16P47.6Very low62.6Low84 Ų8488.5 Ų88.555%0.54549%0.494SS..  trans-54.5124.6177.2-19.129.4000108.8F18P16-F18 PolarHBondContact O-N 3.23Å
17S50.8Low65.6Low83 Ų8382.8 Ų82.858%0.5846%0.459SS*.THydrogen-bonded Turntrans-65.216.2-168.240.60000115.9L15L15-S17 PolarHBondContact O-N 3.41Å; L15-S17 VanDerWaalsContact O-N 3.11Å
18F51.5Low68.8Low189 Ų18976.3 Ų76.383%0.82943%0.425SS*.THydrogen-bonded Turntrans-138.84.4-172.1-62-73.2000116.1P16 C20P16-F18 PolarHBondContact O-N 3.23Å; F18-C20 PolarHBondContact O-N 3.45Å
19Q73.3Confident71.5Confident123 Ų12370.5 Ų70.558%0.57540%0.395SS*.  trans-78.1112.9178.3-93.9-177.9-0.900112.1
20C89.6Confident74.4Confident34 Ų3470.1 Ų70.123%0.2339%0.387CS..  trans-65.6127.1163.8-162.60000108.8F18 N70 Q72F18-C20 PolarHBondContact O-N 3.45Å; C20-N70 CarbonylContact C-O 3.4Å; C20-N70 WeakPolarHBondContact CA-O 3.46Å; C20-N70 HydrophobicContact CB-CB 4.4Å; C20-N70 PolarHBondContact SG-O 3.21Å; C20-Q72 PolarHBondContact SG-N 3.22Å
21L95.8Very high77.1Confident6 Ų665.4 Ų65.43%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-85.8131.5179.4-65.8175000110.4V23 N70 F71 Q72 D94 Y183 I186L21-V23 PolarHBondContact O-N 3.4Å; L21-N70 PolarHBondContact N-O 3.06Å; L21-F71 HydrophobicContact CB-CD1 3.93Å; L21-F71 HydrophobicContact CB-CE1 4.18Å; L21-F71 HydrophobicContact CD1-CD1 4.19Å; L21-F71 HydrophobicContact CD1-CE1 3.64Å; L21-F71 HydrophobicContact CD1-CZ 4.38Å; L21-F71 HydrophobicContact CG-CE1 4.44Å; L21-F71 CarbonylContact O-C 3.52Å; L21-F71 WeakPolarHBondContact O-CA 3.44Å; L21-Q72 PolarHBondContact O-N 3.36Å; L21-D94 VanDerWaalsContact CA-OD2 3.32Å; L21-D94 WeakPolarHBondContact CA-OD2 3.41Å; L21-D94 HydrophobicContact CB-CB 4.37Å; L21-D94 HydrophobicContact CD2-CB 4.21Å; L21-Y183 HydrophobicContact CD1-CD2 3.6Å; L21-Y183 HydrophobicContact CD1-CE2 3.94Å; L21-I186 HydrophobicContact CD1-CD1 4.26Å; L21-I186 HydrophobicContact CD1-CG2 4.24Å; L21-I186 HydrophobicContact CD2-CG2 4.03Å
22H97.2Very high79.7Confident98 Ų9857.7 Ų57.745%0.45432%0.32SS..EExtended strand (participates in β ladder)trans-87.2111.2-179.2-67.2-164000109.3D94 G95H22-D94 PolarHBondContact N-OD2 3.5Å; H22-D94 WeakPolarHBondContact O-CB 3.28Å; H22-D94 PolarHBondContact O-N 3.06Å; H22-G95 PolarHBondContact O-N 3.15Å
23V98.3Very high82.4Confident1 Ų153 Ų531%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-121.8141-178177.30000109.5L21 F71 Q72 V73 W74 G95 V97 L182 I186L21-V23 PolarHBondContact O-N 3.4Å; V23-F71 HydrophobicContact CB-CD2 4.27Å; V23-F71 HydrophobicContact CG2-CD2 3.65Å; V23-F71 HydrophobicContact CG2-CE2 3.98Å; V23-F71 HydrophobicContact CG2-CG 4.09Å; V23-Q72 PolarHBondContact N-O 3.1Å; V23-V73 CarbonylContact O-C 3.55Å; V23-V73 VanDerWaalsContact O-CA 3.31Å; V23-V73 WeakPolarHBondContact O-CA 3.23Å; V23-W74 PolarHBondContact O-N 2.95Å; V23-G95 WeakPolarHBondContact CA-O 3.39Å; V23-V97 HydrophobicContact CG1-CG2 3.75Å; V23-L182 HydrophobicContact CG1-CD2 3.94Å; V23-L182 HydrophobicContact CG2-CD2 4.29Å; V23-I186 HydrophobicContact CG2-CD1 4.47Å
24V98.7Very high84.8Confident0 Ų049.3 Ų49.30%026%0.264CS..EExtended strand (participates in β ladder)trans-113.8135174.1165.80000109.3I26 W74 V76 Y89 T90 T93 G95 V97V24-I26 HydrophobicContact CG1-CG1 4.46Å; V24-I26 HydrophobicContact CG1-CG2 3.61Å; V24-W74 CarbonylContact C-O 3.58Å; V24-W74 WeakPolarHBondContact CA-O 3.41Å; V24-W74 HydrophobicContact CG2-CB 3.96Å; V24-V76 HydrophobicContact CG1-CG2 4.22Å; V24-Y89 VanDerWaalsContact CG2-O 3.29Å; V24-Y89 WeakPolarHBondContact CG2-O 3.19Å; V24-T90 HydrophobicContact CB-CG2 4.43Å; V24-T90 HydrophobicContact CG1-CG2 3.96Å; V24-T93 HydrophobicContact CB-CG2 4.12Å; V24-T93 HydrophobicContact CG2-CG2 3.42Å; V24-T93 VanDerWaalsContact CG2-CG2 3.42Å; V24-G95 PolarHBondContact N-O 3.44Å; V24-V97 PolarHBondContact O-N 3.43Å
25V98.8Very high87.3Confident12 Ų1242 Ų427%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-105.3117.3171.8-176.20000108.1K33 V73 W74 V76 V97 V99V25-K33 HydrophobicContact CG1-CB 3.77Å; V25-K33 HydrophobicContact CG1-CD 4.16Å; V25-K33 HydrophobicContact CG1-CG 3.86Å; V25-V73 HydrophobicContact CB-CG1 4.44Å; V25-V73 HydrophobicContact CG2-CG1 3.42Å; V25-V73 VanDerWaalsContact CG2-CG1 3.42Å; V25-W74 PolarHBondContact N-O 3.19Å; V25-V76 PolarHBondContact O-N 3.44Å; V25-V76 VanDerWaalsContact O-N 3.08Å; V25-V97 WeakPolarHBondContact CA-O 3.5Å; V25-V97 HydrophobicContact CB-CB 4.46Å; V25-V97 HydrophobicContact CG1-CB 4.47Å; V25-V97 HydrophobicContact CG1-CG1 4.33Å; V25-V97 HydrophobicContact CG2-CB 3.98Å; V25-V97 HydrophobicContact CG2-CG1 4.39Å; V25-V97 HydrophobicContact CG2-CG2 4.41Å; V25-V99 HydrophobicContact CG1-CG2 3.75Å
26I98.8Very high89.5Confident0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-134.1174.7178.150161.8000109.9V24 K33 V76 W86 T90 I96 V97 F98 V99 I118V24-I26 HydrophobicContact CG1-CG1 4.46Å; V24-I26 HydrophobicContact CG1-CG2 3.61Å; I26-K33 VanDerWaalsContact C-CD 3.4Å; I26-V76 HydrophobicContact CG2-CB 4.03Å; I26-V76 HydrophobicContact CG2-CG2 4.3Å; I26-W86 HydrophobicContact CB-CD2 3.95Å; I26-W86 HydrophobicContact CB-CE3 4.22Å; I26-W86 HydrophobicContact CB-CG 4.28Å; I26-W86 HydrophobicContact CB-CZ2 4.45Å; I26-W86 HydrophobicContact CD1-CD2 4.4Å; I26-W86 HydrophobicContact CD1-CE3 4.05Å; I26-W86 HydrophobicContact CG2-CB 4.16Å; I26-W86 HydrophobicContact CG2-CD2 3.86Å; I26-W86 HydrophobicContact CG2-CG 3.65Å; I26-T90 HydrophobicContact CD1-CG2 4.1Å; I26-I96 HydrophobicContact CD1-CG2 3.94Å; I26-I96 HydrophobicContact CG1-CG2 3.89Å; I26-V97 PolarHBondContact N-O 3.09Å; I26-F98 HydrophobicContact CD1-CD2 4.08Å; I26-F98 HydrophobicContact CG1-CD2 4.04Å; I26-F98 CarbonylContact O-C 3.6Å; I26-F98 WeakPolarHBondContact O-CA 3.43Å; I26-V99 PolarHBondContact O-N 3.25Å; I26-I118 HydrophobicContact CD1-CB 4.46Å; I26-I118 HydrophobicContact CD1-CG1 4.26Å; I26-I118 HydrophobicContact CD1-CG2 3.89Å
27G98.7Very high91.8Very high0 Ų035 Ų350%019%0.191CC..  trans134.5161-168.700000110.2K33 G78 W86 V99G27-K33 WeakPolarHBondContact O-CE 3.42Å; G27-K33 PolarHBondContact O-NZ 3.13Å; G27-G78 WeakPolarHBondContact O-CA 3.25Å; G27-W86 VanDerWaalsContact C-CH2 3.48Å; G27-W86 WeakPolarHBondContact O-CZ2 3.45Å; G27-V99 WeakPolarHBondContact CA-O 3.48Å
28L98.6Very high94Very high8 Ų833.9 Ų33.94%0.04218%0.175CC..  trans-57.3158.4-175.4-52.5-175.9000111.8A31 K33 R83 W86 R107 E110 A111L28-A31 WeakPolarHBondContact O-CB 3.48Å; L28-A31 PolarHBondContact O-N 3.35Å; L28-K33 PolarHBondContact O-NZ 3.35Å; L28-R83 VanDerWaalsContact CD2-CZ 3.46Å; L28-W86 HydrophobicContact CD2-CH2 4.38Å; L28-R107 HydrophobicContact CD1-CB 4.04Å; L28-R107 WeakPolarHBondContact CD1-O 3.48Å; L28-E110 HydrophobicContact CD1-CB 4.1Å; L28-E110 HydrophobicContact CD1-CG 4.02Å; L28-E110 WeakPolarHBondContact CD1-OE2 3.37Å; L28-E110 HydrophobicContact CD2-CG 4.07Å; L28-A111 HydrophobicContact CD1-CB 3.8Å; L28-A111 HydrophobicContact CG-CB 4.01Å
29D97.8Very high96.1Very high42 Ų4227 Ų2723%0.22514%0.143CC..THydrogen-bonded Turntrans-51.8152.9167.454.8-78.2000111A31 G78 Q79 R83 R107D29-A31 PolarHBondContact O-N 3.31Å; D29-G78 PolarHBondContact N-O 3.34Å; D29-Q79 HydrophobicContact CB-CG 4.12Å; D29-R83 IonicContact OD1-NH2 3.85Å; D29-R107 PolarHBondContact O-NH1 3.13Å; D29-R107 IonicContact OD1-CZ 2.92Å; D29-R107 IonicContact OD1-NH1 3.85Å; D29-R107 IonicContact OD1-NH2 3.84Å; D29-R107 PolarHBondContact OD1-NH2 3.22Å; D29-R107 IonicContact OD2-CZ 2.75Å; D29-R107 IonicContact OD2-NH1 3.01Å; D29-R107 PolarHBondContact OD2-NH1 3.48Å; D29-R107 IonicContact OD2-NH2 3.92Å; D29-R107 PolarHBondContact OD2-NH2 3.34Å
30S97.3Very high97.1Very high78 Ų7822.3 Ų22.355%0.54512%0.122SC..THydrogen-bonded Turntrans64.1-5.4-179.8-53.40000117.4G32 K135S30-G32 PolarHBondContact O-N 3.09Å; S30-G32 VanDerWaalsContact O-N 3.12Å; S30-K135 WeakPolarHBondContact O-CE 3.32Å; S30-K135 PolarHBondContact O-NZ 2.8Å; S30-K135 VanDerWaalsContact O-NZ 3.09Å
31A98.2Very high97.4Very high2 Ų225.3 Ų25.32%0.01713%0.131CC..SBendtrans-63.2-16.2174.100000114.5L28 D29 V99 N134L28-A31 WeakPolarHBondContact O-CB 3.48Å; L28-A31 PolarHBondContact O-N 3.35Å; D29-A31 PolarHBondContact O-N 3.31Å; A31-V99 HydrophobicContact CB-CB 4.35Å; A31-V99 HydrophobicContact CB-CG1 4.03Å; A31-V99 WeakPolarHBondContact CB-O 3.38Å; A31-V99 VanDerWaalsContact O-CG1 3.3Å; A31-V99 WeakPolarHBondContact O-CG1 3.4Å; A31-N134 PolarHBondContact O-ND2 3.25Å
32G97.9Very high97.3Very high16 Ų1629.4 Ų29.417%0.16515%0.153CC..  trans98.414.8174.600000116.4S30 T34 S35 L36S30-G32 PolarHBondContact O-N 3.09Å; S30-G32 VanDerWaalsContact O-N 3.12Å; G32-T34 PolarHBondContact O-N 3.14Å; G32-S35 PolarHBondContact O-N 3.15Å; G32-L36 WeakPolarHBondContact O-CD1 3.22Å; G32-L36 VanDerWaalsContact O-CG 3.27Å; G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 2.97Å
33K98.3Very high97.1Very high11 Ų1131.1 Ų31.15%0.04816%0.159CC..Hα-helixtrans-46.2-56-179.5-62-177.2-62.1-66.50114.7V25 I26 G27 L28 L36 L37 D75 V76 V99V25-K33 HydrophobicContact CG1-CB 3.77Å; V25-K33 HydrophobicContact CG1-CD 4.16Å; V25-K33 HydrophobicContact CG1-CG 3.86Å; I26-K33 VanDerWaalsContact C-CD 3.4Å; G27-K33 WeakPolarHBondContact O-CE 3.42Å; G27-K33 PolarHBondContact O-NZ 3.13Å; L28-K33 PolarHBondContact O-NZ 3.35Å; K33-L36 WeakPolarHBondContact O-CB 3.41Å; K33-L36 PolarHBondContact O-N 3.16Å; K33-L37 PolarHBondContact O-N 2.99Å; K33-L37 VanDerWaalsContact O-N 3.08Å; K33-D75 VanDerWaalsContact CB-OD1 3.27Å; K33-D75 WeakPolarHBondContact CB-OD1 3.35Å; K33-V76 WeakPolarHBondContact CE-O 3.44Å; K33-V99 HydrophobicContact CG-CB 3.83Å; K33-V99 HydrophobicContact CG-CG1 4.48Å; K33-V99 HydrophobicContact CG-CG2 3.83Å
34T97.5Very high96.8Very high13 Ų1337.4 Ų37.48%0.0819%0.188CC..Hα-helixtrans-68-39.1-177.7-43.90000111.8G32 L36 L37 Y38 T48 T51 D75G32-T34 PolarHBondContact O-N 3.14Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.35Å; T34-L37 PolarHBondContact O-N 3.36Å; T34-Y38 HydrophobicContact CG2-CD2 4.15Å; T34-Y38 HydrophobicContact CG2-CE2 3.77Å; T34-Y38 PolarHBondContact O-N 3.12Å; T34-T48 HydrophobicContact CG2-CG2 3.8Å; T34-T51 PolarHBondContact OG1-OG1 3.04Å; T34-D75 WeakPolarHBondContact CA-OD2 3.36Å; T34-D75 VanDerWaalsContact CB-OD2 3.26Å; T34-D75 WeakPolarHBondContact CB-OD2 3.42Å; T34-D75 WeakPolarHBondContact CG2-OD2 3.37Å; T34-D75 PolarHBondContact OG1-OD2 3.06Å
35S97.7Very high96.5Very high9 Ų941.7 Ų41.76%0.06321%0.207CC..Hα-helixtrans-65-36.9176.3-66.10000112.1G32 Y38 R39 V46 T48G32-S35 PolarHBondContact O-N 3.15Å; S35-Y38 PolarHBondContact O-N 2.97Å; S35-R39 VanDerWaalsContact O-CB 3.26Å; S35-R39 WeakPolarHBondContact O-CB 3.46Å; S35-R39 PolarHBondContact O-N 3.35Å; S35-V46 PolarHBondContact OG-O 2.87Å; S35-T48 PolarHBondContact OG-OG1 3.43Å
36L97.4Very high96.3Very high5 Ų543.3 Ų43.33%0.02622%0.217CC..Hα-helixtrans-62.8-45.6172.3-69.7156.8000111.4G32 K33 T34 Y38 R39 L40 V99 L132 N134 A169 L175G32-L36 WeakPolarHBondContact O-CD1 3.22Å; G32-L36 VanDerWaalsContact O-CG 3.27Å; G32-L36 WeakPolarHBondContact O-CG 3.4Å; G32-L36 PolarHBondContact O-N 2.97Å; K33-L36 WeakPolarHBondContact O-CB 3.41Å; K33-L36 PolarHBondContact O-N 3.16Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.35Å; L36-Y38 VanDerWaalsContact C-N 3.35Å; L36-Y38 PolarHBondContact O-N 3.14Å; L36-R39 PolarHBondContact O-N 3.08Å; L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 WeakPolarHBondContact O-CG 3.13Å; L36-L40 PolarHBondContact O-N 3.42Å; L36-V99 HydrophobicContact CD1-CB 4.22Å; L36-V99 HydrophobicContact CD1-CG1 3.36Å; L36-V99 HydrophobicContact CD1-CG2 3.75Å; L36-L132 HydrophobicContact CD1-CD1 4.33Å; L36-N134 HydrophobicContact CD1-CB 4.32Å; L36-A169 HydrophobicContact CD2-CB 3.77Å; L36-A169 HydrophobicContact CG-CB 3.81Å; L36-L175 HydrophobicContact CD2-CD1 3.94Å; L36-L175 HydrophobicContact CD2-CD2 3.13Å; L36-L175 HydrophobicContact CD2-CG 4.15Å; L36-L175 HydrophobicContact CG-CD2 4.47Å
37L96.6Very high95.8Very high4 Ų452.2 Ų52.22%0.02126%0.255CS..Hα-helixtrans-60.7-44.8178.3-179.655.7000111.5K33 T34 L40 K41 E57 I59 V73 D75K33-L37 PolarHBondContact O-N 2.99Å; K33-L37 VanDerWaalsContact O-N 3.08Å; T34-L37 PolarHBondContact O-N 3.36Å; L37-L40 PolarHBondContact O-N 3.26Å; L37-K41 VanDerWaalsContact O-CB 3.31Å; L37-K41 WeakPolarHBondContact O-CB 3.31Å; L37-K41 PolarHBondContact O-N 3.32Å; L37-E57 HydrophobicContact CD1-CB 4.01Å; L37-E57 HydrophobicContact CD1-CG 4.45Å; L37-E57 HydrophobicContact CD2-CB 3.95Å; L37-E57 HydrophobicContact CD2-CG 3.71Å; L37-E57 HydrophobicContact CG-CB 4.18Å; L37-E57 HydrophobicContact CG-CG 4.07Å; L37-I59 HydrophobicContact CD1-CG2 3.88Å; L37-V73 HydrophobicContact CD1-CB 3.99Å; L37-V73 HydrophobicContact CD1-CG1 3.9Å; L37-V73 HydrophobicContact CD1-CG2 4.32Å; L37-V73 HydrophobicContact CD2-CG1 4.29Å; L37-D75 HydrophobicContact CD2-CB 3.73Å
38Y96.4Very high95.5Very high61 Ų6154.6 Ų54.624%0.23927%0.27CS..Hα-helixtrans-68.9-38.3176-69-19000112.7T34 S35 L36 L40 K41 L42 V46 T48T34-Y38 HydrophobicContact CG2-CD2 4.15Å; T34-Y38 HydrophobicContact CG2-CE2 3.77Å; T34-Y38 PolarHBondContact O-N 3.12Å; S35-Y38 PolarHBondContact O-N 2.97Å; L36-Y38 VanDerWaalsContact C-N 3.35Å; L36-Y38 PolarHBondContact O-N 3.14Å; Y38-L40 VanDerWaalsContact C-N 3.28Å; Y38-L40 PolarHBondContact O-N 3.11Å; Y38-K41 PolarHBondContact O-N 2.97Å; Y38-L42 HydrophobicContact CG-CD1 4.44Å; Y38-L42 WeakPolarHBondContact O-CA 3.42Å; Y38-L42 WeakPolarHBondContact O-CB 3.29Å; Y38-L42 PolarHBondContact O-N 3.45Å; Y38-V46 HydrophobicContact CD2-CB 3.85Å; Y38-V46 HydrophobicContact CD2-CG1 3.9Å; Y38-V46 HydrophobicContact CD2-CG2 4.36Å; Y38-V46 HydrophobicContact CE2-CG1 4.4Å; Y38-V46 HydrophobicContact CG-CB 4.45Å; Y38-T48 HydrophobicContact CD2-CG2 3.81Å; Y38-T48 HydrophobicContact CE2-CG2 3.91Å
39R96.3Very high95.3Very high43 Ų4361 Ų6116%0.16230%0.303CS..Hα-helixtrans-58.5-41.1172.1175.556.974.2178.75.2111.8S35 L36 K43 E44 A169 V170 L175S35-R39 VanDerWaalsContact O-CB 3.26Å; S35-R39 WeakPolarHBondContact O-CB 3.46Å; S35-R39 PolarHBondContact O-N 3.35Å; L36-R39 PolarHBondContact O-N 3.08Å; R39-K43 PolarHBondContact NH1-O 3.45Å; R39-K43 WeakPolarHBondContact O-CA 3.42Å; R39-K43 PolarHBondContact O-N 2.75Å; R39-K43 VanDerWaalsContact O-N 3.12Å; R39-E44 WeakPolarHBondContact CA-O 3.5Å; R39-E44 VanDerWaalsContact CZ-C 3.41Å; R39-E44 VanDerWaalsContact NH1-CA 3.31Å; R39-A169 WeakPolarHBondContact CB-O 3.46Å; R39-A169 WeakPolarHBondContact CG-O 3.26Å; R39-A169 PolarHBondContact NE-O 2.58Å; R39-V170 PolarHBondContact NH2-O 2.94Å; R39-L175 HydrophobicContact CB-CD1 4.12Å; R39-L175 HydrophobicContact CG-CD1 3.61Å
40L94.5Very high95Very high26 Ų2663.3 Ų63.314%0.13632%0.32CS..Hα-helixtrans-67-42.6176.2-77.5161.2000112.9L36 L37 Y38 K43 I59 L175 L179L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 WeakPolarHBondContact O-CG 3.13Å; L36-L40 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 3.26Å; Y38-L40 VanDerWaalsContact C-N 3.28Å; Y38-L40 PolarHBondContact O-N 3.11Å; L40-K43 PolarHBondContact O-NZ 3.44Å; L40-I59 HydrophobicContact CB-CD1 4.4Å; L40-I59 HydrophobicContact CD1-CD1 4.16Å; L40-L175 HydrophobicContact CD2-CB 3.79Å; L40-L175 HydrophobicContact CD2-CD1 4.42Å; L40-L175 HydrophobicContact CG-CB 4.25Å; L40-L175 HydrophobicContact CG-CD1 4.09Å; L40-L179 HydrophobicContact CD1-CD1 3.72Å; L40-L179 HydrophobicContact CD2-CD1 3.59Å; L40-L179 HydrophobicContact CG-CD1 4.27Å
41K94.3Very high94.7Very high96 Ų9660.9 Ų60.942%0.41730%0.302SS..Hα-helixtrans-79.1-49.3-173.517962175.5-175.50113.3L37 Y38 K58 I59L37-K41 VanDerWaalsContact O-CB 3.31Å; L37-K41 WeakPolarHBondContact O-CB 3.31Å; L37-K41 PolarHBondContact O-N 3.32Å; Y38-K41 PolarHBondContact O-N 2.97Å; K41-K58 PolarHBondContact NZ-O 2.96Å; K41-I59 HydrophobicContact CB-CG2 4.05Å; K41-I59 HydrophobicContact CD-CG2 4.13Å
42L94.4Very high94.3Very high93 Ų9370 Ų7049%0.48734%0.341SS..Hα-helixtrans-98.4-11.8-171.3-55178.2000112.4Y38 E44 V46Y38-L42 HydrophobicContact CG-CD1 4.44Å; Y38-L42 WeakPolarHBondContact O-CA 3.42Å; Y38-L42 WeakPolarHBondContact O-CB 3.29Å; Y38-L42 PolarHBondContact O-N 3.45Å; L42-E44 PolarHBondContact O-N 2.87Å; L42-V46 HydrophobicContact CD1-CG2 3.99Å
43K92.7Very high94Very high133 Ų13370.1 Ų70.158%0.57834%0.343SS*.SBendtrans61.916.8-173.4-52.5-53.7-174.4-164.90114R39 L40R39-K43 PolarHBondContact NH1-O 3.45Å; R39-K43 WeakPolarHBondContact O-CA 3.42Å; R39-K43 PolarHBondContact O-N 2.75Å; R39-K43 VanDerWaalsContact O-N 3.12Å; L40-K43 PolarHBondContact O-NZ 3.44Å
44E91.8Very high93.9Very high134 Ų13474.2 Ų74.263%0.62636%0.36SS*.SBendtrans-131.4152.7179.5-68.2-177.6173.600111R39 L42R39-E44 WeakPolarHBondContact CA-O 3.5Å; R39-E44 VanDerWaalsContact CZ-C 3.41Å; R39-E44 VanDerWaalsContact NH1-CA 3.31Å; L42-E44 PolarHBondContact O-N 2.87Å
45F93.8Very high93.7Very high89 Ų8975.5 Ų75.539%0.3937%0.367SS..  trans-82.7123.1174.1172.2-104.6000108.7K47 A169 V170F45-K47 HydrophobicContact CE1-CB 4.27Å; F45-A169 HydrophobicContact CD2-CB 4.49Å; F45-A169 WeakPolarHBondContact CD2-O 3.36Å; F45-V170 HydrophobicContact CD2-CG2 4.23Å; F45-V170 HydrophobicContact CE2-CG2 4.05Å; F45-V170 HydrophobicContact CZ-CG2 4.42Å
46V92.6Very high93.6Very high46 Ų4677.3 Ų77.328%0.27938%0.378SS..  trans-112120.8174.5179.70000107.8S35 Y38 L42 T48S35-V46 PolarHBondContact OG-O 2.87Å; Y38-V46 HydrophobicContact CD2-CB 3.85Å; Y38-V46 HydrophobicContact CD2-CG1 3.9Å; Y38-V46 HydrophobicContact CD2-CG2 4.36Å; Y38-V46 HydrophobicContact CE2-CG1 4.4Å; Y38-V46 HydrophobicContact CG-CB 4.45Å; L42-V46 HydrophobicContact CD1-CG2 3.99Å; V46-T48 HydrophobicContact CG1-CG2 4.32Å; V46-T48 PolarHBondContact O-N 3.34Å
47K89.9Confident93.6Very high188 Ų18879.3 Ų79.382%0.81739%0.387SS*.  trans-69.2124.3168.6-172.9175.5-177.5176.70108.1F45F45-K47 HydrophobicContact CE1-CB 4.27Å
48T92.6Very high93.6Very high50 Ų5084 Ų8431%0.30741%0.407SS..  trans-111.6156.8-174.155.30000111.3T34 S35 Y38 V46T34-T48 HydrophobicContact CG2-CG2 3.8Å; S35-T48 PolarHBondContact OG-OG1 3.43Å; Y38-T48 HydrophobicContact CD2-CG2 3.81Å; Y38-T48 HydrophobicContact CE2-CG2 3.91Å; V46-T48 HydrophobicContact CG1-CG2 4.32Å; V46-T48 PolarHBondContact O-N 3.34Å
49I92.7Very high93.5Very high142 Ų14281.3 Ų81.373%0.72840%0.397SS*.PPolyproline II helixtrans-93.8159.7164.960.2170.2000109.1T51I49-T51 PolarHBondContact O-N 3.24Å; I49-T51 VanDerWaalsContact O-N 3.17Å
50P93.1Very high93.4Very high91 Ų9186.6 Ų86.659%0.59142%0.421SS*.PPolyproline II helixtrans-55.2123.3179.3-2735.2000112.7K52 Q79P50-K52 PolarHBondContact O-N 3.02Å; P50-Q79 VanDerWaalsContact CB-NE2 3.26Å
51T90.6Very high93.3Very high27 Ų2785.4 Ų85.417%0.16642%0.415CS..PPolyproline II helixtrans-60.8121.6179.7-50.40000111.1T34 I49 L82T34-T51 PolarHBondContact OG1-OG1 3.04Å; I49-T51 PolarHBondContact O-N 3.24Å; I49-T51 VanDerWaalsContact O-N 3.17Å; T51-L82 WeakPolarHBondContact O-CD1 3.36Å
52K89.8Confident93.1Very high193 Ų19383 Ų8384%0.83941%0.412SS*.SBendtrans-87.1109171.3-64.2-176.9-177.5178.20108.3P50 F54P50-K52 PolarHBondContact O-N 3.02Å; K52-F54 PolarHBondContact O-N 3.26Å
53G92.1Very high92.7Very high19 Ų1978.9 Ų78.920%0.19639%0.391CS..SBendtrans80.5-103.3-177.300000111.9G77G53-G77 PolarHBondContact O-N 3.44Å
54F94.8Very high92.2Very high96 Ų9675 Ų7542%0.42139%0.389SS..EExtended strand (participates in β ladder)trans-151.7161.7-175.570.1-82000112.5K52 T56 W74 D75 Y89K52-F54 PolarHBondContact O-N 3.26Å; F54-T56 WeakPolarHBondContact CD2-OG1 3.33Å; F54-W74 AromaticContact CD2-CE3 3.7Å; F54-W74 HydrophobicContact CD2-CE3 3.7Å; F54-W74 AromaticContact CD2-CZ3 3.78Å; F54-W74 HydrophobicContact CD2-CZ3 3.78Å; F54-W74 AromaticContact CE2-CE3 3.9Å; F54-W74 HydrophobicContact CE2-CE3 3.9Å; F54-W74 AromaticContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CE2-CZ3 3.45Å; F54-W74 VanDerWaalsContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CZ-CZ3 4.19Å; F54-D75 CarbonylContact C-O 3.44Å; F54-D75 WeakPolarHBondContact CA-O 3.5Å; F54-D75 WeakPolarHBondContact CB-O 3.45Å; F54-Y89 HydrophobicContact CB-CE1 4.43Å; F54-Y89 HydrophobicContact CD1-CE1 4.28Å; F54-Y89 AromaticContact CD1-CZ 3.72Å; F54-Y89 WeakPolarHBondContact CD1-OH 3.31Å; F54-Y89 HydrophobicContact CD2-CE1 4.27Å; F54-Y89 WeakPolarHBondContact CE1-OH 3.43Å; F54-Y89 HydrophobicContact CG-CE1 4.06Å; F54-Y89 AromaticContact CG-CZ 3.89Å
55N93.8Very high91.5Very high41 Ų4173.7 Ų73.722%0.21940%0.401CS..EExtended strand (participates in β ladder)trans-124.4151.7166.2-174.937.3000110.1E57 W74 D75N55-E57 WeakPolarHBondContact ND2-CG 3.28Å; N55-E57 PolarHBondContact ND2-OE1 3.14Å; N55-W74 WeakPolarHBondContact O-CA 3.49Å; N55-D75 HydrophobicContact CB-CB 4.4Å; N55-D75 PolarHBondContact N-O 3.43Å; N55-D75 PolarHBondContact O-N 2.86Å
56T96.2Very high90.7Very high46 Ų4675.2 Ų75.228%0.28242%0.423SS..EExtended strand (participates in β ladder)trans-131.7117.6-177.7-61.70000110.7F54 Q72 V73 W74F54-T56 WeakPolarHBondContact CD2-OG1 3.33Å; T56-Q72 HydrophobicContact CG2-CG 4.45Å; T56-V73 WeakPolarHBondContact CA-O 3.27Å; T56-W74 HydrophobicContact CG2-CD2 4.22Å; T56-W74 HydrophobicContact CG2-CE3 4.38Å; T56-W74 HydrophobicContact CG2-CH2 4.45Å; T56-W74 HydrophobicContact CG2-CZ2 4.27Å; T56-W74 VanDerWaalsContact OG1-CZ3 3.23Å; T56-W74 WeakPolarHBondContact OG1-CZ3 3.44Å
57E96.5Very high90.4Very high47 Ų4781.1 Ų81.122%0.2244%0.44CS..EExtended strand (participates in β ladder)trans-129.9147.3-176.1-67.7-64.9165.200111.7L37 N55 Q72 V73L37-E57 HydrophobicContact CD1-CB 4.01Å; L37-E57 HydrophobicContact CD1-CG 4.45Å; L37-E57 HydrophobicContact CD2-CB 3.95Å; L37-E57 HydrophobicContact CD2-CG 3.71Å; L37-E57 HydrophobicContact CG-CB 4.18Å; L37-E57 HydrophobicContact CG-CG 4.07Å; N55-E57 WeakPolarHBondContact ND2-CG 3.28Å; N55-E57 PolarHBondContact ND2-OE1 3.14Å; E57-Q72 PolarHBondContact O-NE2 3.27Å; E57-Q72 VanDerWaalsContact O-NE2 3.17Å; E57-V73 PolarHBondContact N-O 3Å; E57-V73 PolarHBondContact O-N 3.13Å
58K96.3Very high90.4Very high102 Ų10274.5 Ų74.544%0.44342%0.42SS..EExtended strand (participates in β ladder)trans-102.5117.8168.9-170.1175.9179.51800109.8K41 N70 F71K41-K58 PolarHBondContact NZ-O 2.96Å; K58-N70 VanDerWaalsContact CE-CG 3.45Å; K58-N70 HydrophobicContact CG-CB 4.43Å; K58-F71 WeakPolarHBondContact CA-O 3.07Å
59I95.3Very high90.3Very high5 Ų573 Ų733%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-113.5146.1176.966.3173.6000111L37 L40 K41 V61 N70 F71 V73 L179L37-I59 HydrophobicContact CD1-CG2 3.88Å; L40-I59 HydrophobicContact CB-CD1 4.4Å; L40-I59 HydrophobicContact CD1-CD1 4.16Å; K41-I59 HydrophobicContact CB-CG2 4.05Å; K41-I59 HydrophobicContact CD-CG2 4.13Å; I59-V61 HydrophobicContact CD1-CG2 4.07Å; I59-V61 HydrophobicContact CG1-CG2 4.1Å; I59-N70 WeakPolarHBondContact O-CA 3.21Å; I59-F71 HydrophobicContact CD1-CB 4.42Å; I59-F71 HydrophobicContact CG1-CB 3.83Å; I59-F71 PolarHBondContact N-O 2.92Å; I59-F71 PolarHBondContact O-N 3.13Å; I59-V73 HydrophobicContact CD1-CG2 3.83Å; I59-V73 HydrophobicContact CG1-CG2 3.82Å; I59-L179 HydrophobicContact CD1-CD1 3.83Å
60K93.7Very high90.4Very high155 Ų15569.2 Ų69.267%0.67439%0.392SS*.EExtended strand (participates in β ladder)trans-96.5118.5172.9-173.4175.9-179.5-177.40108.2A68 T69K60-A68 HydrophobicContact CD-CB 4.11Å; K60-A68 HydrophobicContact CG-CB 3.73Å; K60-T69 WeakPolarHBondContact CA-O 3.18Å
61V92.1Very high90.6Very high1 Ų165 Ų651%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-104118.2179.8-177.50000107.9I59 V63 A68 T69 F71 L179I59-V61 HydrophobicContact CD1-CG2 4.07Å; I59-V61 HydrophobicContact CG1-CG2 4.1Å; V61-V63 HydrophobicContact CG1-CG1 4.26Å; V61-A68 CarbonylContact O-C 3.53Å; V61-A68 WeakPolarHBondContact O-CA 3.36Å; V61-A68 WeakPolarHBondContact O-CB 3.3Å; V61-T69 HydrophobicContact CB-CG2 4.18Å; V61-T69 PolarHBondContact N-O 3.43Å; V61-T69 PolarHBondContact O-N 3.4Å; V61-F71 HydrophobicContact CB-CD1 4.46Å; V61-F71 HydrophobicContact CB-CE1 4.29Å; V61-F71 HydrophobicContact CB-CZ 4.48Å; V61-F71 HydrophobicContact CG1-CZ 4.46Å; V61-F71 HydrophobicContact CG2-CB 4.42Å; V61-F71 HydrophobicContact CG2-CD1 3.92Å; V61-F71 HydrophobicContact CG2-CD2 3.84Å; V61-F71 HydrophobicContact CG2-CE1 4.07Å; V61-F71 HydrophobicContact CG2-CE2 4.03Å; V61-F71 HydrophobicContact CG2-CG 3.8Å; V61-F71 HydrophobicContact CG2-CZ 4.14Å; V61-L179 HydrophobicContact CG1-CB 3.74Å; V61-L179 HydrophobicContact CG1-CD1 4.37Å; V61-L179 HydrophobicContact CG2-CB 4.43Å; V61-L179 HydrophobicContact CG2-CD1 3.8Å
62A90.9Very high90.9Very high44 Ų4466 Ų6636%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-66.2140.8170.400000109.2Q176 E180A62-Q176 PolarHBondContact O-NE2 3.13Å; A62-E180 WeakPolarHBondContact O-CG 3.5Å
63V86.6Confident91.3Very high7 Ų757 Ų574%0.04233%0.328CS..  trans-138.599.4-178.3-74.80000109.1V61 R67 T69 Y183V61-V63 HydrophobicContact CG1-CG1 4.26Å; V63-R67 HydrophobicContact CG2-CB 3.9Å; V63-R67 PolarHBondContact N-O 3Å; V63-R67 WeakPolarHBondContact O-CB 3.4Å; V63-T69 HydrophobicContact CG1-CG2 4.08Å; V63-T69 HydrophobicContact CG2-CG2 4.4Å; V63-Y183 HydrophobicContact CB-CD1 3.94Å; V63-Y183 HydrophobicContact CB-CE1 3.89Å; V63-Y183 HydrophobicContact CG1-CD1 3.41Å; V63-Y183 VanDerWaalsContact CG1-CD1 3.41Å; V63-Y183 HydrophobicContact CG1-CD2 4.28Å; V63-Y183 HydrophobicContact CG1-CE1 3.8Å; V63-Y183 HydrophobicContact CG1-CG 3.65Å; V63-Y183 HydrophobicContact CG2-CE1 4.08Å
64G81.4Confident91.6Very high51 Ų5159.8 Ų59.853%0.52633%0.333SS..SBendtrans71.2-166.3-169.400000112.8S66G64-S66 PolarHBondContact O-N 3.47Å
65A77.6Confident91.7Very high107 Ų10755.2 Ų55.288%0.88431%0.313SS*.SBendtrans-68.7-29.6-165.100000115.9
66S76.4Confident91.9Very high121 Ų12153.3 Ų53.385%0.84630%0.303SS*.SBendtrans-14617.4-171.2-470000114.3G64G64-S66 PolarHBondContact O-N 3.47Å
67R86.3Confident92Very high171 Ų17151.1 Ų51.165%0.64529%0.29SS*.  trans-119.1154177.7-61.7-179.6-62.6-178.4-3.6110.1V63V63-R67 HydrophobicContact CG2-CB 3.9Å; V63-R67 PolarHBondContact N-O 3Å; V63-R67 WeakPolarHBondContact O-CB 3.4Å
68A89.3Confident92Very high48 Ų4849.1 Ų49.140%0.39728%0.281SS..EExtended strand (participates in β ladder)trans-142.6152.4170.600000109.6K60 V61K60-A68 HydrophobicContact CD-CB 4.11Å; K60-A68 HydrophobicContact CG-CB 3.73Å; V61-A68 CarbonylContact O-C 3.53Å; V61-A68 WeakPolarHBondContact O-CA 3.36Å; V61-A68 WeakPolarHBondContact O-CB 3.3Å
69T91.9Very high92.1Very high18 Ų1846.6 Ų46.611%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-126.4158174.7-174.20000109.8K60 V61 V63 F71 Y183K60-T69 WeakPolarHBondContact CA-O 3.18Å; V61-T69 HydrophobicContact CB-CG2 4.18Å; V61-T69 PolarHBondContact N-O 3.43Å; V61-T69 PolarHBondContact O-N 3.4Å; V63-T69 HydrophobicContact CG1-CG2 4.08Å; V63-T69 HydrophobicContact CG2-CG2 4.4Å; T69-F71 HydrophobicContact CG2-CD1 3.94Å; T69-F71 HydrophobicContact CG2-CE1 3.48Å; T69-F71 VanDerWaalsContact CG2-CE1 3.48Å; T69-Y183 HydrophobicContact CG2-CD2 3.84Å; T69-Y183 HydrophobicContact CG2-CE2 3.91Å
70N94.4Very high92.1Very high64 Ų6453.5 Ų53.534%0.34230%0.303SS..EExtended strand (participates in β ladder)trans-98.3131.2176.3-67.4-63.8000109.4C20 L21 K58 I59C20-N70 CarbonylContact C-O 3.4Å; C20-N70 WeakPolarHBondContact CA-O 3.46Å; C20-N70 HydrophobicContact CB-CB 4.4Å; C20-N70 PolarHBondContact SG-O 3.21Å; L21-N70 PolarHBondContact N-O 3.06Å; K58-N70 VanDerWaalsContact CE-CG 3.45Å; K58-N70 HydrophobicContact CG-CB 4.43Å; I59-N70 WeakPolarHBondContact O-CA 3.21Å
71F96.7Very high92.3Very high1 Ų153.8 Ų53.80%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-105.3129.6167.6-72.315.9000108.4L21 V23 K58 I59 V61 T69 V73 L179 L182 Y183L21-F71 HydrophobicContact CB-CD1 3.93Å; L21-F71 HydrophobicContact CB-CE1 4.18Å; L21-F71 HydrophobicContact CD1-CD1 4.19Å; L21-F71 HydrophobicContact CD1-CE1 3.64Å; L21-F71 HydrophobicContact CD1-CZ 4.38Å; L21-F71 HydrophobicContact CG-CE1 4.44Å; L21-F71 CarbonylContact O-C 3.52Å; L21-F71 WeakPolarHBondContact O-CA 3.44Å; V23-F71 HydrophobicContact CB-CD2 4.27Å; V23-F71 HydrophobicContact CG2-CD2 3.65Å; V23-F71 HydrophobicContact CG2-CE2 3.98Å; V23-F71 HydrophobicContact CG2-CG 4.09Å; K58-F71 WeakPolarHBondContact CA-O 3.07Å; I59-F71 HydrophobicContact CD1-CB 4.42Å; I59-F71 HydrophobicContact CG1-CB 3.83Å; I59-F71 PolarHBondContact N-O 2.92Å; I59-F71 PolarHBondContact O-N 3.13Å; V61-F71 HydrophobicContact CB-CD1 4.46Å; V61-F71 HydrophobicContact CB-CE1 4.29Å; V61-F71 HydrophobicContact CB-CZ 4.48Å; V61-F71 HydrophobicContact CG1-CZ 4.46Å; V61-F71 HydrophobicContact CG2-CB 4.42Å; V61-F71 HydrophobicContact CG2-CD1 3.92Å; V61-F71 HydrophobicContact CG2-CD2 3.84Å; V61-F71 HydrophobicContact CG2-CE1 4.07Å; V61-F71 HydrophobicContact CG2-CE2 4.03Å; V61-F71 HydrophobicContact CG2-CG 3.8Å; V61-F71 HydrophobicContact CG2-CZ 4.14Å; T69-F71 HydrophobicContact CG2-CD1 3.94Å; T69-F71 HydrophobicContact CG2-CE1 3.48Å; T69-F71 VanDerWaalsContact CG2-CE1 3.48Å; F71-V73 HydrophobicContact CB-CG2 3.83Å; F71-L179 HydrophobicContact CD2-CD2 4.49Å; F71-L179 HydrophobicContact CE2-CB 4.47Å; F71-L179 HydrophobicContact CE2-CD2 4.14Å; F71-L182 HydrophobicContact CE2-CD2 4.24Å; F71-Y183 HydrophobicContact CE1-CD2 4.37Å
72Q97.4Very high92.5Very high48 Ų4855 Ų5522%0.22431%0.311CS..EExtended strand (participates in β ladder)trans-88.8104.9162.7-173.764.665.500107C20 L21 V23 T56 E57C20-Q72 PolarHBondContact SG-N 3.22Å; L21-Q72 PolarHBondContact O-N 3.36Å; V23-Q72 PolarHBondContact N-O 3.1Å; T56-Q72 HydrophobicContact CG2-CG 4.45Å; E57-Q72 PolarHBondContact O-NE2 3.27Å; E57-Q72 VanDerWaalsContact O-NE2 3.17Å
73V98.1Very high92.8Very high4 Ų453.6 Ų53.62%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-100.5127-173.5-174.60000110V23 V25 L37 T56 E57 I59 F71V23-V73 CarbonylContact O-C 3.55Å; V23-V73 VanDerWaalsContact O-CA 3.31Å; V23-V73 WeakPolarHBondContact O-CA 3.23Å; V25-V73 HydrophobicContact CB-CG1 4.44Å; V25-V73 HydrophobicContact CG2-CG1 3.42Å; V25-V73 VanDerWaalsContact CG2-CG1 3.42Å; L37-V73 HydrophobicContact CD1-CB 3.99Å; L37-V73 HydrophobicContact CD1-CG1 3.9Å; L37-V73 HydrophobicContact CD1-CG2 4.32Å; L37-V73 HydrophobicContact CD2-CG1 4.29Å; T56-V73 WeakPolarHBondContact CA-O 3.27Å; E57-V73 PolarHBondContact N-O 3Å; E57-V73 PolarHBondContact O-N 3.13Å; I59-V73 HydrophobicContact CD1-CG2 3.83Å; I59-V73 HydrophobicContact CG1-CG2 3.82Å; F71-V73 HydrophobicContact CB-CG2 3.83Å
74W98.1Very high93.3Very high79 Ų7957.8 Ų57.830%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-105.6107170.5-62.980.3000108.5V23 V24 V25 F54 N55 T56 Y89V23-W74 PolarHBondContact O-N 2.95Å; V24-W74 CarbonylContact C-O 3.58Å; V24-W74 WeakPolarHBondContact CA-O 3.41Å; V24-W74 HydrophobicContact CG2-CB 3.96Å; V25-W74 PolarHBondContact N-O 3.19Å; F54-W74 AromaticContact CD2-CE3 3.7Å; F54-W74 HydrophobicContact CD2-CE3 3.7Å; F54-W74 AromaticContact CD2-CZ3 3.78Å; F54-W74 HydrophobicContact CD2-CZ3 3.78Å; F54-W74 AromaticContact CE2-CE3 3.9Å; F54-W74 HydrophobicContact CE2-CE3 3.9Å; F54-W74 AromaticContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CE2-CZ3 3.45Å; F54-W74 VanDerWaalsContact CE2-CZ3 3.45Å; F54-W74 HydrophobicContact CZ-CZ3 4.19Å; N55-W74 WeakPolarHBondContact O-CA 3.49Å; T56-W74 HydrophobicContact CG2-CD2 4.22Å; T56-W74 HydrophobicContact CG2-CE3 4.38Å; T56-W74 HydrophobicContact CG2-CH2 4.45Å; T56-W74 HydrophobicContact CG2-CZ2 4.27Å; T56-W74 VanDerWaalsContact OG1-CZ3 3.23Å; T56-W74 WeakPolarHBondContact OG1-CZ3 3.44Å; W74-Y89 HydrophobicContact CB-CD1 4.37Å; W74-Y89 HydrophobicContact CD2-CD1 4.13Å; W74-Y89 HydrophobicContact CD2-CE1 4.33Å; W74-Y89 AromaticContact CE3-CD1 3.68Å; W74-Y89 HydrophobicContact CE3-CD1 3.68Å; W74-Y89 AromaticContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CE3-CE1 3.44Å; W74-Y89 VanDerWaalsContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CG-CD1 4.45Å; W74-Y89 HydrophobicContact CZ3-CD1 4.32Å; W74-Y89 AromaticContact CZ3-CE1 3.72Å; W74-Y89 HydrophobicContact CZ3-CE1 3.72Å
75D97.6Very high94Very high0 Ų058.3 Ų58.30%031%0.314CS..EExtended strand (participates in β ladder)trans-88.9114.6173.1170.536.4000109.2K33 T34 L37 F54 N55K33-D75 VanDerWaalsContact CB-OD1 3.27Å; K33-D75 WeakPolarHBondContact CB-OD1 3.35Å; T34-D75 WeakPolarHBondContact CA-OD2 3.36Å; T34-D75 VanDerWaalsContact CB-OD2 3.26Å; T34-D75 WeakPolarHBondContact CB-OD2 3.42Å; T34-D75 WeakPolarHBondContact CG2-OD2 3.37Å; T34-D75 PolarHBondContact OG1-OD2 3.06Å; L37-D75 HydrophobicContact CD2-CB 3.73Å; F54-D75 CarbonylContact C-O 3.44Å; F54-D75 WeakPolarHBondContact CA-O 3.5Å; F54-D75 WeakPolarHBondContact CB-O 3.45Å; N55-D75 HydrophobicContact CB-CB 4.4Å; N55-D75 PolarHBondContact N-O 3.43Å; N55-D75 PolarHBondContact O-N 2.86Å
76V98.1Very high94.9Very high0 Ų053.2 Ų53.20%027%0.272CS..EExtended strand (participates in β ladder)trans-107.3136.4-174.1-169.60000109.8V24 V25 I26 K33 G78 L85 Y89V24-V76 HydrophobicContact CG1-CG2 4.22Å; V25-V76 PolarHBondContact O-N 3.44Å; V25-V76 VanDerWaalsContact O-N 3.08Å; I26-V76 HydrophobicContact CG2-CB 4.03Å; I26-V76 HydrophobicContact CG2-CG2 4.3Å; K33-V76 WeakPolarHBondContact CE-O 3.44Å; V76-G78 PolarHBondContact O-N 3.32Å; V76-L85 HydrophobicContact CG1-CB 4.24Å; V76-Y89 HydrophobicContact CG1-CD2 4.09Å; V76-Y89 HydrophobicContact CG1-CE2 4.47Å; V76-Y89 HydrophobicContact CG2-CD1 4.25Å; V76-Y89 HydrophobicContact CG2-CD2 3.9Å; V76-Y89 HydrophobicContact CG2-CG 3.71Å
77G97.1Very high95.9Very high1 Ų152.4 Ų52.41%0.0125%0.253CS..  trans-55.1138.7179.700000112.7G53 W86G53-G77 PolarHBondContact O-N 3.44Å; G77-W86 PolarHBondContact O-NE1 3.48Å
78G97.3Very high96.3Very high4 Ų446.9 Ų46.94%0.04124%0.241CC..  trans-99.8-5.1-173.300000116.1G27 D29 V76 R83G27-G78 WeakPolarHBondContact O-CA 3.25Å; D29-G78 PolarHBondContact N-O 3.34Å; V76-G78 PolarHBondContact O-N 3.32Å; G78-R83 PolarHBondContact O-NE 3.26Å
79Q97.2Very high96.6Very high50 Ų5047.3 Ų47.323%0.23423%0.233CC..SBendtrans-59.9142.5176.8-67.1174.344.400109.3D29 P50 K81 L82 R83D29-Q79 HydrophobicContact CB-CG 4.12Å; P50-Q79 VanDerWaalsContact CB-NE2 3.26Å; Q79-K81 VanDerWaalsContact C-N 3.27Å; Q79-K81 HydrophobicContact CB-CG 4.38Å; Q79-K81 PolarHBondContact O-N 3.39Å; Q79-K81 VanDerWaalsContact O-N 3.13Å; Q79-L82 HydrophobicContact CB-CD1 4.41Å; Q79-L82 HydrophobicContact CB-CG 4.44Å; Q79-L82 WeakPolarHBondContact O-CA 3.25Å; Q79-L82 WeakPolarHBondContact O-CB 3.34Å; Q79-L82 PolarHBondContact O-N 2.91Å; Q79-R83 WeakPolarHBondContact O-CG 3.42Å; Q79-R83 PolarHBondContact O-N 3.01Å
80E96.6Very high96.9Very high149 Ų14946.5 Ų46.570%0.69623%0.227SC*.G310 helixtrans-45.6-49.2-176.2-169.8-178.1178.300113.2L82 R83 P84E80-L82 PolarHBondContact O-N 3.21Å; E80-L82 VanDerWaalsContact O-N 3.08Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 VanDerWaalsContact O-N 3.12Å; E80-P84 WeakPolarHBondContact O-CD 3.43Å
81K96.8Very high96.9Very high162 Ų16249 Ų4970%0.70423%0.232SC*.G310 helixtrans-59.7-20.5177.669.6-176.9176.6-170.20115.4Q79Q79-K81 VanDerWaalsContact C-N 3.27Å; Q79-K81 HydrophobicContact CB-CG 4.38Å; Q79-K81 PolarHBondContact O-N 3.39Å; Q79-K81 VanDerWaalsContact O-N 3.13Å
82L96.6Very high96.6Very high26 Ų2660.1 Ų60.114%0.13627%0.274CS..G310 helixtrans-98.3-18.6-180-62.1-180000112.9T51 Q79 E80 P84 L85T51-L82 WeakPolarHBondContact O-CD1 3.36Å; Q79-L82 HydrophobicContact CB-CD1 4.41Å; Q79-L82 HydrophobicContact CB-CG 4.44Å; Q79-L82 WeakPolarHBondContact O-CA 3.25Å; Q79-L82 WeakPolarHBondContact O-CB 3.34Å; Q79-L82 PolarHBondContact O-N 2.91Å; E80-L82 PolarHBondContact O-N 3.21Å; E80-L82 VanDerWaalsContact O-N 3.08Å; L82-P84 VanDerWaalsContact C-N 3.29Å; L82-L85 HydrophobicContact CD2-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 WeakPolarHBondContact O-CG 3.23Å; L82-L85 PolarHBondContact O-N 3.37Å
83R97.4Very high96.6Very high15 Ų1558.2 Ų58.26%0.05727%0.266CS..THydrogen-bonded Turntrans-57.1-30.5-178.3-57.2-173.2-166.3154.44.7114.7L28 D29 G78 Q79 E80 L85 W86 E110L28-R83 VanDerWaalsContact CD2-CZ 3.46Å; D29-R83 IonicContact OD1-NH2 3.85Å; G78-R83 PolarHBondContact O-NE 3.26Å; Q79-R83 WeakPolarHBondContact O-CG 3.42Å; Q79-R83 PolarHBondContact O-N 3.01Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 VanDerWaalsContact O-N 3.12Å; R83-L85 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact O-N 3.08Å; R83-W86 HydrophobicContact CB-CD2 4.25Å; R83-W86 HydrophobicContact CB-CZ2 4.39Å; R83-W86 HydrophobicContact CG-CD2 4.46Å; R83-W86 HydrophobicContact CG-CH2 4.15Å; R83-W86 HydrophobicContact CG-CZ2 3.72Å; R83-W86 VanDerWaalsContact O-CB 3.27Å; R83-W86 WeakPolarHBondContact O-CB 3.3Å; R83-W86 VanDerWaalsContact O-CG 3.29Å; R83-W86 PolarHBondContact O-N 3.43Å; R83-E110 IonicContact CZ-OE1 3.79Å; R83-E110 IonicContact NH1-OE1 2.85Å; R83-E110 PolarHBondContact NH1-OE1 2.75Å; R83-E110 IonicContact NH2-OE1 3.41Å; R83-E110 PolarHBondContact NH2-OE1 3.02Å; R83-E110 IonicContact NH2-OE2 2.71Å
84P96.3Very high96.6Very high95 Ų9559.5 Ų59.562%0.61727%0.273SS*.Hα-helixtrans-54.9-27171.2-2937.2000114.2E80 L82 W86E80-P84 WeakPolarHBondContact O-CD 3.43Å; L82-P84 VanDerWaalsContact C-N 3.29Å; P84-W86 VanDerWaalsContact C-N 3.28Å; P84-W86 PolarHBondContact O-N 3.11Å
85L96Very high96.6Very high62 Ų6255.8 Ų55.833%0.32526%0.259SS..Hα-helixtrans-67.7-27.3176.8-60.8176.4000112.7V76 L82 R83 K87 S88 Y89V76-L85 HydrophobicContact CG1-CB 4.24Å; L82-L85 HydrophobicContact CD2-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 WeakPolarHBondContact O-CG 3.23Å; L82-L85 PolarHBondContact O-N 3.37Å; R83-L85 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact O-N 3.08Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.96Å; L85-S88 WeakPolarHBondContact O-CA 3.37Å; L85-S88 WeakPolarHBondContact O-CB 2.9Å; L85-S88 PolarHBondContact O-N 3.32Å; L85-Y89 HydrophobicContact CB-CD2 4.12Å; L85-Y89 HydrophobicContact CB-CE2 4.05Å; L85-Y89 VanDerWaalsContact O-CD2 3.29Å; L85-Y89 WeakPolarHBondContact O-CD2 3.41Å; L85-Y89 PolarHBondContact O-N 2.99Å
86W97.9Very high96.7Very high0 Ų055.9 Ų55.90%026%0.259CS..Hα-helixtrans-54.6-43.8-175.6-65.24000111.6I26 G27 L28 G77 R83 P84 S88 Y89 T90 F98 E114 I118I26-W86 HydrophobicContact CB-CD2 3.95Å; I26-W86 HydrophobicContact CB-CE3 4.22Å; I26-W86 HydrophobicContact CB-CG 4.28Å; I26-W86 HydrophobicContact CB-CZ2 4.45Å; I26-W86 HydrophobicContact CD1-CD2 4.4Å; I26-W86 HydrophobicContact CD1-CE3 4.05Å; I26-W86 HydrophobicContact CG2-CB 4.16Å; I26-W86 HydrophobicContact CG2-CD2 3.86Å; I26-W86 HydrophobicContact CG2-CG 3.65Å; G27-W86 VanDerWaalsContact C-CH2 3.48Å; G27-W86 WeakPolarHBondContact O-CZ2 3.45Å; L28-W86 HydrophobicContact CD2-CH2 4.38Å; G77-W86 PolarHBondContact O-NE1 3.48Å; R83-W86 HydrophobicContact CB-CD2 4.25Å; R83-W86 HydrophobicContact CB-CZ2 4.39Å; R83-W86 HydrophobicContact CG-CD2 4.46Å; R83-W86 HydrophobicContact CG-CH2 4.15Å; R83-W86 HydrophobicContact CG-CZ2 3.72Å; R83-W86 VanDerWaalsContact O-CB 3.27Å; R83-W86 WeakPolarHBondContact O-CB 3.3Å; R83-W86 VanDerWaalsContact O-CG 3.29Å; R83-W86 PolarHBondContact O-N 3.43Å; P84-W86 VanDerWaalsContact C-N 3.28Å; P84-W86 PolarHBondContact O-N 3.11Å; W86-S88 PolarHBondContact O-N 3.47Å; W86-Y89 PolarHBondContact O-N 3.34Å; W86-Y89 VanDerWaalsContact O-N 3.16Å; W86-T90 WeakPolarHBondContact O-CG2 3.44Å; W86-T90 PolarHBondContact O-N 2.96Å; W86-T90 PolarHBondContact O-OG1 3.3Å; W86-T90 VanDerWaalsContact O-OG1 3.06Å; W86-F98 HydrophobicContact CH2-CE2 4.42Å; W86-F98 HydrophobicContact CZ3-CE2 4.01Å; W86-E114 HydrophobicContact CH2-CB 4.4Å; W86-E114 HydrophobicContact CZ3-CB 3.72Å; W86-E114 HydrophobicContact CZ3-CG 4.41Å; W86-I118 HydrophobicContact CB-CD1 3.66Å; W86-I118 HydrophobicContact CB-CG1 4.35Å; W86-I118 HydrophobicContact CE3-CD1 4.38Å; W86-I118 HydrophobicContact CE3-CG1 3.94Å
87K96.1Very high96.7Very high103 Ų10356 Ų5645%0.44826%0.26SS..Hα-helixtrans-54.4-39.7175.9-176.3177-178.6179.30111.9L85 T90 R91L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 2.96Å; K87-T90 PolarHBondContact O-OG1 2.98Å; K87-R91 WeakPolarHBondContact O-CG 3.32Å
88S95.2Very high96.8Very high56 Ų5656 Ų5639%0.39226%0.26SS..Hα-helixtrans-71.5-40-179.1-72.60000113.1L85 W86 R91L85-S88 WeakPolarHBondContact O-CA 3.37Å; L85-S88 WeakPolarHBondContact O-CB 2.9Å; L85-S88 PolarHBondContact O-N 3.32Å; W86-S88 PolarHBondContact O-N 3.47Å; S88-R91 VanDerWaalsContact CB-NH2 3.33Å; S88-R91 PolarHBondContact OG-NH2 2.75Å
89Y96.6Very high96.9Very high57 Ų5755.9 Ų55.922%0.22426%0.258CS..Hα-helixtrans-78.1-34.4-178.4-74.8-83.5000112.7V24 F54 W74 V76 L85 W86 R91 T93V24-Y89 VanDerWaalsContact CG2-O 3.29Å; V24-Y89 WeakPolarHBondContact CG2-O 3.19Å; F54-Y89 HydrophobicContact CB-CE1 4.43Å; F54-Y89 HydrophobicContact CD1-CE1 4.28Å; F54-Y89 AromaticContact CD1-CZ 3.72Å; F54-Y89 WeakPolarHBondContact CD1-OH 3.31Å; F54-Y89 HydrophobicContact CD2-CE1 4.27Å; F54-Y89 WeakPolarHBondContact CE1-OH 3.43Å; F54-Y89 HydrophobicContact CG-CE1 4.06Å; F54-Y89 AromaticContact CG-CZ 3.89Å; W74-Y89 HydrophobicContact CB-CD1 4.37Å; W74-Y89 HydrophobicContact CD2-CD1 4.13Å; W74-Y89 HydrophobicContact CD2-CE1 4.33Å; W74-Y89 AromaticContact CE3-CD1 3.68Å; W74-Y89 HydrophobicContact CE3-CD1 3.68Å; W74-Y89 AromaticContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CE3-CE1 3.44Å; W74-Y89 VanDerWaalsContact CE3-CE1 3.44Å; W74-Y89 HydrophobicContact CG-CD1 4.45Å; W74-Y89 HydrophobicContact CZ3-CD1 4.32Å; W74-Y89 AromaticContact CZ3-CE1 3.72Å; W74-Y89 HydrophobicContact CZ3-CE1 3.72Å; V76-Y89 HydrophobicContact CG1-CD2 4.09Å; V76-Y89 HydrophobicContact CG1-CE2 4.47Å; V76-Y89 HydrophobicContact CG2-CD1 4.25Å; V76-Y89 HydrophobicContact CG2-CD2 3.9Å; V76-Y89 HydrophobicContact CG2-CG 3.71Å; L85-Y89 HydrophobicContact CB-CD2 4.12Å; L85-Y89 HydrophobicContact CB-CE2 4.05Å; L85-Y89 VanDerWaalsContact O-CD2 3.29Å; L85-Y89 WeakPolarHBondContact O-CD2 3.41Å; L85-Y89 PolarHBondContact O-N 2.99Å; W86-Y89 PolarHBondContact O-N 3.34Å; W86-Y89 VanDerWaalsContact O-N 3.16Å; Y89-R91 PolarHBondContact O-N 3.39Å; Y89-T93 WeakPolarHBondContact O-CG2 3.48Å
90T97.4Very high96.9Very high0 Ų053.7 Ų53.70%025%0.248CC..Hα-helixtrans-72.4-13.6179.6580000113.8V24 I26 W86 K87 R92 T93 I96 I118 N124V24-T90 HydrophobicContact CB-CG2 4.43Å; V24-T90 HydrophobicContact CG1-CG2 3.96Å; I26-T90 HydrophobicContact CD1-CG2 4.1Å; W86-T90 WeakPolarHBondContact O-CG2 3.44Å; W86-T90 PolarHBondContact O-N 2.96Å; W86-T90 PolarHBondContact O-OG1 3.3Å; W86-T90 VanDerWaalsContact O-OG1 3.06Å; K87-T90 PolarHBondContact O-OG1 2.98Å; T90-R92 PolarHBondContact O-N 2.7Å; T90-T93 WeakPolarHBondContact O-CG2 3.24Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.9Å; T90-T93 VanDerWaalsContact O-OG1 3.13Å; T90-I96 HydrophobicContact CG2-CD1 4.05Å; T90-I96 HydrophobicContact CG2-CG1 4.23Å; T90-I118 HydrophobicContact CG2-CG2 3.97Å; T90-N124 WeakPolarHBondContact CB-ND2 3.48Å; T90-N124 PolarHBondContact O-OD1 3.24Å; T90-N124 VanDerWaalsContact O-OD1 3.08Å; T90-N124 PolarHBondContact OG1-ND2 3.38Å; T90-N124 PolarHBondContact OG1-OD1 3.02Å
91R93.6Very high97Very high117 Ų11747 Ų4744%0.44222%0.217SC..THydrogen-bonded Turntrans-59.3128178.3-81.3-171.7-63-114.51.1110.9K87 S88 Y89 T93 E123K87-R91 WeakPolarHBondContact O-CG 3.32Å; S88-R91 VanDerWaalsContact CB-NH2 3.33Å; S88-R91 PolarHBondContact OG-NH2 2.75Å; Y89-R91 PolarHBondContact O-N 3.39Å; R91-T93 PolarHBondContact O-N 3.02Å; R91-E123 HydrophobicContact CG-CB 4.09Å; R91-E123 HydrophobicContact CG-CG 4.2Å
92R92.1Very high97.1Very high234 Ų23439.3 Ų39.388%0.88318%0.184SC*.THydrogen-bonded Turntrans57.925.9175.9-55.2179.8178.1170.5-0.1113.9T90T90-R92 PolarHBondContact O-N 2.7Å
93T97.1Very high97.2Very high9 Ų940.1 Ų40.16%0.05519%0.19CC..  trans-72153.6170.559.40000111V24 Y89 T90 R91V24-T93 HydrophobicContact CB-CG2 4.12Å; V24-T93 HydrophobicContact CG2-CG2 3.42Å; V24-T93 VanDerWaalsContact CG2-CG2 3.42Å; Y89-T93 WeakPolarHBondContact O-CG2 3.48Å; T90-T93 WeakPolarHBondContact O-CG2 3.24Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.9Å; T90-T93 VanDerWaalsContact O-OG1 3.13Å; R91-T93 PolarHBondContact O-N 3.02Å
94D97.8Very high97.2Very high31 Ų3142.6 Ų42.617%0.16620%0.202CC..SBendtrans-72.1-38.5169.8-71-64.2000110.5L21 H22 P128 I186 K190L21-D94 VanDerWaalsContact CA-OD2 3.32Å; L21-D94 WeakPolarHBondContact CA-OD2 3.41Å; L21-D94 HydrophobicContact CB-CB 4.37Å; L21-D94 HydrophobicContact CD2-CB 4.21Å; H22-D94 PolarHBondContact N-OD2 3.5Å; H22-D94 WeakPolarHBondContact O-CB 3.28Å; H22-D94 PolarHBondContact O-N 3.06Å; D94-P128 WeakPolarHBondContact O-CD 3.37Å; D94-I186 HydrophobicContact CB-CD1 4.04Å; D94-I186 HydrophobicContact CB-CG1 4.4Å; D94-I186 HydrophobicContact CB-CG2 4.04Å; D94-I186 WeakPolarHBondContact O-CG1 3.44Å; D94-K190 WeakPolarHBondContact OD1-CE 3.39Å; D94-K190 IonicContact OD1-NZ 3.28Å; D94-K190 PolarHBondContact OD1-NZ 3.37Å; D94-K190 IonicContact OD2-NZ 3.72Å
95G98.3Very high97.2Very high0 Ų042.9 Ų42.90%020%0.198CC..EExtended strand (participates in β ladder)trans-156.3163.1178.600000113.8H22 V23 V24H22-G95 PolarHBondContact O-N 3.15Å; V23-G95 WeakPolarHBondContact CA-O 3.39Å; V24-G95 PolarHBondContact N-O 3.44Å
96I98.8Very high97.2Very high2 Ų248.8 Ų48.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-118.1133.8177.8-64.5167.7000108.6I26 T90 I118 V127 P128 V129 L130I26-I96 HydrophobicContact CD1-CG2 3.94Å; I26-I96 HydrophobicContact CG1-CG2 3.89Å; T90-I96 HydrophobicContact CG2-CD1 4.05Å; T90-I96 HydrophobicContact CG2-CG1 4.23Å; I96-I118 HydrophobicContact CD1-CG2 4.25Å; I96-V127 HydrophobicContact CD1-CB 4.38Å; I96-V127 HydrophobicContact CD1-CG1 3.95Å; I96-V127 HydrophobicContact CG1-CG1 3.86Å; I96-P128 PolarHBondContact N-O 3.25Å; I96-V129 CarbonylContact O-C 3.57Å; I96-V129 WeakPolarHBondContact O-CA 3.43Å; I96-L130 PolarHBondContact O-N 3.34Å
97V98.9Very high97.2Very high4 Ų451.3 Ų51.32%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-105117.9165179.30000107.4V23 V24 V25 I26 V99 L130 L132 L179 L182V23-V97 HydrophobicContact CG1-CG2 3.75Å; V24-V97 PolarHBondContact O-N 3.43Å; V25-V97 WeakPolarHBondContact CA-O 3.5Å; V25-V97 HydrophobicContact CB-CB 4.46Å; V25-V97 HydrophobicContact CG1-CB 4.47Å; V25-V97 HydrophobicContact CG1-CG1 4.33Å; V25-V97 HydrophobicContact CG2-CB 3.98Å; V25-V97 HydrophobicContact CG2-CG1 4.39Å; V25-V97 HydrophobicContact CG2-CG2 4.41Å; I26-V97 PolarHBondContact N-O 3.09Å; V97-V99 HydrophobicContact CG1-CG2 4.03Å; V97-L130 CarbonylContact C-O 3.59Å; V97-L130 WeakPolarHBondContact CA-O 3.43Å; V97-L130 HydrophobicContact CG1-CD2 4.48Å; V97-L130 HydrophobicContact CG2-CB 4.43Å; V97-L130 HydrophobicContact CG2-CD2 4.2Å; V97-L132 HydrophobicContact CG1-CD1 3.65Å; V97-L132 HydrophobicContact CG1-CG 3.93Å; V97-L179 HydrophobicContact CG2-CD2 4.48Å; V97-L182 HydrophobicContact CG2-CD2 3.62Å
98F98.9Very high97.3Very high0 Ų046.6 Ų46.60%021%0.213CC..EExtended strand (participates in β ladder)trans-106.7114.4175.4-167.2-95.6000109.2I26 W86 V100 A111 L115 V129 L130 I131 L132I26-F98 HydrophobicContact CD1-CD2 4.08Å; I26-F98 HydrophobicContact CG1-CD2 4.04Å; I26-F98 CarbonylContact O-C 3.6Å; I26-F98 WeakPolarHBondContact O-CA 3.43Å; W86-F98 HydrophobicContact CH2-CE2 4.42Å; W86-F98 HydrophobicContact CZ3-CE2 4.01Å; F98-V100 HydrophobicContact CD1-CG1 3.8Å; F98-V100 HydrophobicContact CE1-CG1 3.51Å; F98-A111 HydrophobicContact CE1-CB 4.07Å; F98-A111 HydrophobicContact CZ-CB 4.18Å; F98-A111 VanDerWaalsContact CZ-O 3.25Å; F98-A111 WeakPolarHBondContact CZ-O 3.41Å; F98-L115 HydrophobicContact CB-CD1 4.07Å; F98-L115 HydrophobicContact CD1-CB 4.3Å; F98-L115 HydrophobicContact CD1-CD1 4.16Å; F98-L115 HydrophobicContact CD1-CD2 4.27Å; F98-L115 HydrophobicContact CD1-CG 4.47Å; F98-L115 HydrophobicContact CD2-CB 4.3Å; F98-L115 HydrophobicContact CD2-CD1 3.89Å; F98-L115 HydrophobicContact CE1-CB 3.92Å; F98-L115 HydrophobicContact CE1-CD2 4.45Å; F98-L115 HydrophobicContact CE2-CB 3.94Å; F98-L115 HydrophobicContact CE2-CD1 4.39Å; F98-L115 HydrophobicContact CG-CB 4.48Å; F98-L115 HydrophobicContact CG-CD1 3.78Å; F98-L115 HydrophobicContact CZ-CB 3.74Å; F98-V129 HydrophobicContact CB-CG1 4.34Å; F98-L130 PolarHBondContact N-O 3.06Å; F98-I131 CarbonylContact O-C 3.59Å; F98-I131 VanDerWaalsContact O-CA 3.29Å; F98-I131 WeakPolarHBondContact O-CA 3.27Å; F98-L132 PolarHBondContact O-N 3.4Å
99V98.9Very high97.4Very high1 Ų148.9 Ų48.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-99.5131.4-176.8-172.50000109.5V25 I26 G27 A31 K33 L36 V97 L132 N134V25-V99 HydrophobicContact CG1-CG2 3.75Å; I26-V99 PolarHBondContact O-N 3.25Å; G27-V99 WeakPolarHBondContact CA-O 3.48Å; A31-V99 HydrophobicContact CB-CB 4.35Å; A31-V99 HydrophobicContact CB-CG1 4.03Å; A31-V99 WeakPolarHBondContact CB-O 3.38Å; A31-V99 VanDerWaalsContact O-CG1 3.3Å; A31-V99 WeakPolarHBondContact O-CG1 3.4Å; K33-V99 HydrophobicContact CG-CB 3.83Å; K33-V99 HydrophobicContact CG-CG1 4.48Å; K33-V99 HydrophobicContact CG-CG2 3.83Å; L36-V99 HydrophobicContact CD1-CB 4.22Å; L36-V99 HydrophobicContact CD1-CG1 3.36Å; L36-V99 HydrophobicContact CD1-CG2 3.75Å; V97-V99 HydrophobicContact CG1-CG2 4.03Å; V99-L132 HydrophobicContact CG2-CB 4.36Å; V99-L132 HydrophobicContact CG2-CD1 4.47Å; V99-N134 HydrophobicContact CG1-CB 3.89Å
100V98.8Very high97.5Very high4 Ų449.2 Ų49.22%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-120.7148.1171.1-61.30000110.7F98 L108 A111 I131 L132 A133 N134 V147 L151F98-V100 HydrophobicContact CD1-CG1 3.8Å; F98-V100 HydrophobicContact CE1-CG1 3.51Å; V100-L108 HydrophobicContact CB-CD2 3.88Å; V100-L108 HydrophobicContact CG1-CD2 4.09Å; V100-L108 HydrophobicContact CG2-CD2 4.13Å; V100-A111 HydrophobicContact CG1-CB 4.08Å; V100-I131 HydrophobicContact CG2-CG2 4.47Å; V100-L132 PolarHBondContact N-O 2.93Å; V100-A133 HydrophobicContact CG2-CB 4.48Å; V100-N134 WeakPolarHBondContact O-CB 3.48Å; V100-N134 PolarHBondContact O-N 3.21Å; V100-V147 HydrophobicContact CG2-CG1 3.66Å; V100-L151 HydrophobicContact CG1-CD1 3.99Å; V100-L151 HydrophobicContact CG1-CD2 4.4Å; V100-L151 HydrophobicContact CG2-CD1 4.48Å
101D98.6Very high97.6Very high9 Ų949.4 Ų49.45%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-79117.1165.5-169.3-10.4000108.8T103 E104 K135D101-T103 PolarHBondContact O-N 3.3Å; D101-T103 PolarHBondContact OD1-N 3.29Å; D101-T103 PolarHBondContact OD1-OG1 3.45Å; D101-E104 HydrophobicContact CB-CB 4.21Å; D101-E104 HydrophobicContact CB-CG 4.22Å; D101-K135 VanDerWaalsContact CG-CE 3.42Å; D101-K135 WeakPolarHBondContact OD1-CD 3.16Å; D101-K135 IonicContact OD1-NZ 3.81Å; D101-K135 WeakPolarHBondContact OD2-CE 3.36Å; D101-K135 IonicContact OD2-NZ 2.58Å; D101-K135 PolarHBondContact OD2-NZ 3.42Å
102S98.8Very high97.8Very high0 Ų046.4 Ų46.40%021%0.213CC..THydrogen-bonded Turntrans-75.2-9.1-178.9-45.40000112.6A133 N134 Q136 L142S102-A133 WeakPolarHBondContact OG-CA 3.43Å; S102-A133 WeakPolarHBondContact OG-CB 3.39Å; S102-A133 PolarHBondContact OG-O 3.34Å; S102-N134 WeakPolarHBondContact CB-O 3.29Å; S102-N134 PolarHBondContact N-O 2.87Å; S102-N134 PolarHBondContact OG-N 3.01Å; S102-N134 PolarHBondContact OG-O 3.32Å; S102-Q136 VanDerWaalsContact CB-NE2 3.32Å; S102-Q136 PolarHBondContact OG-NE2 2.82Å; S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 VanDerWaalsContact O-CG 3.25Å; S102-L142 WeakPolarHBondContact O-CG 3.5Å; S102-L142 PolarHBondContact O-N 2.68Å
103T98.4Very high98.1Very high43 Ų4339 Ų3926%0.26419%0.193SC..THydrogen-bonded Turntrans-95.3-11.317970.10000113.5D101 L105 K135 L138 S140 A141D101-T103 PolarHBondContact O-N 3.3Å; D101-T103 PolarHBondContact OD1-N 3.29Å; D101-T103 PolarHBondContact OD1-OG1 3.45Å; T103-L105 PolarHBondContact O-N 3.36Å; T103-K135 HydrophobicContact CG2-CB 4.38Å; T103-L138 HydrophobicContact CG2-CB 3.99Å; T103-L138 HydrophobicContact CG2-CD1 3.81Å; T103-S140 WeakPolarHBondContact CG2-OG 3.33Å; T103-A141 HydrophobicContact CG2-CB 4.27Å
104E97.1Very high98.2Very high68 Ų6839.8 Ų39.832%0.31820%0.196SC..  trans-103.272.7-176.1-67.8-170.5139.800111.6D101 E106 R107 L108D101-E104 HydrophobicContact CB-CB 4.21Å; D101-E104 HydrophobicContact CB-CG 4.22Å; E104-E106 VanDerWaalsContact C-N 3.29Å; E104-E106 PolarHBondContact O-N 2.89Å; E104-R107 HydrophobicContact CB-CB 4.16Å; E104-R107 HydrophobicContact CB-CG 4.33Å; E104-R107 PolarHBondContact O-N 2.86Å; E104-R107 VanDerWaalsContact OE2-CD 3.3Å; E104-R107 WeakPolarHBondContact OE2-CD 3.44Å; E104-R107 IonicContact OE2-NH1 3.71Å; E104-L108 PolarHBondContact O-N 3.27Å
105L96.8Very high98.3Very high100 Ų10038.4 Ų38.452%0.52419%0.189SC..Hα-helixtrans-51.1-45.3-179.117761.7000113T103 R107 L108 L142 L150T103-L105 PolarHBondContact O-N 3.36Å; L105-R107 PolarHBondContact O-N 3.08Å; L105-L108 HydrophobicContact CD1-CD1 4.48Å; L105-L108 WeakPolarHBondContact O-CB 3.45Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L105-L142 HydrophobicContact CB-CD1 4.27Å; L105-L142 HydrophobicContact CD1-CD1 3.9Å; L105-L150 HydrophobicContact CD1-CD1 3.51Å; L105-L150 HydrophobicContact CD1-CD2 4.34Å
106E95.9Very high98.2Very high187 Ų18739.1 Ų39.187%0.87419%0.192SC*.Hα-helixtrans-62.4-30.2-177.5-62.1-177.717600112.7E104E104-E106 VanDerWaalsContact C-N 3.29Å; E104-E106 PolarHBondContact O-N 2.89Å
107R97.8Very high98.1Very high52 Ų5244.4 Ų44.420%0.19622%0.215CC..Hα-helixtrans-86.8-8.8-179.7-63.5-165.270.7-175.96.1113.5L28 D29 E104 L105 E109 E110 A111L28-R107 HydrophobicContact CD1-CB 4.04Å; L28-R107 WeakPolarHBondContact CD1-O 3.48Å; D29-R107 PolarHBondContact O-NH1 3.13Å; D29-R107 IonicContact OD1-CZ 2.92Å; D29-R107 IonicContact OD1-NH1 3.85Å; D29-R107 IonicContact OD1-NH2 3.84Å; D29-R107 PolarHBondContact OD1-NH2 3.22Å; D29-R107 IonicContact OD2-CZ 2.75Å; D29-R107 IonicContact OD2-NH1 3.01Å; D29-R107 PolarHBondContact OD2-NH1 3.48Å; D29-R107 IonicContact OD2-NH2 3.92Å; D29-R107 PolarHBondContact OD2-NH2 3.34Å; E104-R107 HydrophobicContact CB-CB 4.16Å; E104-R107 HydrophobicContact CB-CG 4.33Å; E104-R107 PolarHBondContact O-N 2.86Å; E104-R107 VanDerWaalsContact OE2-CD 3.3Å; E104-R107 WeakPolarHBondContact OE2-CD 3.44Å; E104-R107 IonicContact OE2-NH1 3.71Å; L105-R107 PolarHBondContact O-N 3.08Å; R107-E109 VanDerWaalsContact C-N 3.29Å; R107-E109 PolarHBondContact O-N 2.93Å; R107-E110 IonicContact CZ-OE2 2.64Å; R107-E110 IonicContact NE-OE2 3.65Å; R107-E110 PolarHBondContact NE-OE2 3.48Å; R107-E110 IonicContact NH2-OE2 3.52Å; R107-E110 PolarHBondContact NH2-OE2 3.43Å; R107-E110 WeakPolarHBondContact O-CB 3.42Å; R107-E110 PolarHBondContact O-N 2.85Å; R107-A111 WeakPolarHBondContact O-CB 3.29Å; R107-A111 PolarHBondContact O-N 2.9Å
108L98.1Very high98Very high4 Ų444.6 Ų44.62%0.02122%0.216CC..Hα-helixtrans-67-29.9177.5-77.6174.6000112.7V100 E104 L105 A111 K112 L142 L150 L151V100-L108 HydrophobicContact CB-CD2 3.88Å; V100-L108 HydrophobicContact CG1-CD2 4.09Å; V100-L108 HydrophobicContact CG2-CD2 4.13Å; E104-L108 PolarHBondContact O-N 3.27Å; L105-L108 HydrophobicContact CD1-CD1 4.48Å; L105-L108 WeakPolarHBondContact O-CB 3.45Å; L105-L108 PolarHBondContact O-N 2.9Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L108-A111 PolarHBondContact O-N 2.79Å; L108-K112 VanDerWaalsContact O-CB 3.29Å; L108-K112 WeakPolarHBondContact O-CB 3.32Å; L108-K112 PolarHBondContact O-N 3.19Å; L108-L142 HydrophobicContact CD1-CD1 3.35Å; L108-L150 HydrophobicContact CB-CB 4.5Å; L108-L150 HydrophobicContact CD1-CB 4.27Å; L108-L150 HydrophobicContact CD1-CD1 3.55Å; L108-L151 HydrophobicContact CD2-CD2 4.05Å; L108-L151 HydrophobicContact CD2-CG 4.4Å
109E98.1Very high97.9Very high104 Ų10444.8 Ų44.849%0.48622%0.217SC..Hα-helixtrans-68.4-42.1174-172.358.8-15200111R107 A111 K112 V113R107-E109 VanDerWaalsContact C-N 3.29Å; R107-E109 PolarHBondContact O-N 2.93Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 2.93Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.47Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 WeakPolarHBondContact OE2-CD 3.41Å; E109-K112 IonicContact OE2-NZ 3.62Å; E109-V113 WeakPolarHBondContact O-CG2 3.38Å; E109-V113 PolarHBondContact O-N 2.66Å
110E98.5Very high97.6Very high65 Ų6551.7 Ų51.730%0.30424%0.243SC..Hα-helixtrans-59.7-44.2171.9-177.5-172.9-164.300111.1L28 R83 R107 K112 V113 E114L28-E110 HydrophobicContact CD1-CB 4.1Å; L28-E110 HydrophobicContact CD1-CG 4.02Å; L28-E110 WeakPolarHBondContact CD1-OE2 3.37Å; L28-E110 HydrophobicContact CD2-CG 4.07Å; R83-E110 IonicContact CZ-OE1 3.79Å; R83-E110 IonicContact NH1-OE1 2.85Å; R83-E110 PolarHBondContact NH1-OE1 2.75Å; R83-E110 IonicContact NH2-OE1 3.41Å; R83-E110 PolarHBondContact NH2-OE1 3.02Å; R83-E110 IonicContact NH2-OE2 2.71Å; R107-E110 IonicContact CZ-OE2 2.64Å; R107-E110 IonicContact NE-OE2 3.65Å; R107-E110 PolarHBondContact NE-OE2 3.48Å; R107-E110 IonicContact NH2-OE2 3.52Å; R107-E110 PolarHBondContact NH2-OE2 3.43Å; R107-E110 WeakPolarHBondContact O-CB 3.42Å; R107-E110 PolarHBondContact O-N 2.85Å; E110-K112 PolarHBondContact O-N 3.48Å; E110-V113 PolarHBondContact O-N 2.8Å; E110-E114 PolarHBondContact O-N 2.78Å; E110-E114 VanDerWaalsContact O-N 3.15Å
111A98.7Very high97.3Very high3 Ų352.8 Ų52.83%0.02525%0.249CC..Hα-helixtrans-63.7-41.4178.400000111.9L28 F98 V100 R107 L108 E109 E114 L115 L151L28-A111 HydrophobicContact CD1-CB 3.8Å; L28-A111 HydrophobicContact CG-CB 4.01Å; F98-A111 HydrophobicContact CE1-CB 4.07Å; F98-A111 HydrophobicContact CZ-CB 4.18Å; F98-A111 VanDerWaalsContact CZ-O 3.25Å; F98-A111 WeakPolarHBondContact CZ-O 3.41Å; V100-A111 HydrophobicContact CG1-CB 4.08Å; R107-A111 WeakPolarHBondContact O-CB 3.29Å; R107-A111 PolarHBondContact O-N 2.9Å; L108-A111 PolarHBondContact O-N 2.79Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 2.93Å; A111-E114 PolarHBondContact O-N 2.82Å; A111-L115 VanDerWaalsContact O-CB 3.25Å; A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.09Å; A111-L151 HydrophobicContact CB-CD2 4.1Å
112K98.7Very high97Very high55 Ų5557 Ų5724%0.23928%0.28CS..Hα-helixtrans-58.2-51.9174.4177.2-166-176.2-178.90110.7L108 E109 E110 E114 L115 H116 L150 L151L108-K112 VanDerWaalsContact O-CB 3.29Å; L108-K112 WeakPolarHBondContact O-CB 3.32Å; L108-K112 PolarHBondContact O-N 3.19Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.47Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 WeakPolarHBondContact OE2-CD 3.41Å; E109-K112 IonicContact OE2-NZ 3.62Å; E110-K112 PolarHBondContact O-N 3.48Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 3.29Å; K112-L115 PolarHBondContact O-N 3.28Å; K112-H116 WeakPolarHBondContact O-CB 3.31Å; K112-H116 PolarHBondContact O-CD2 3.3Å; K112-H116 PolarHBondContact O-N 3.21Å; K112-L150 WeakPolarHBondContact CD-O 3.29Å; K112-L151 HydrophobicContact CB-CD2 4Å
113V98.5Very high96.7Very high79 Ų7960.8 Ų60.848%0.47930%0.297SS..Hα-helixtrans-55.5-48.1-179.6170.30000110.8E109 E110 K117E109-V113 WeakPolarHBondContact O-CG2 3.38Å; E109-V113 PolarHBondContact O-N 2.66Å; E110-V113 PolarHBondContact O-N 2.8Å; V113-K117 VanDerWaalsContact O-CB 3.22Å; V113-K117 WeakPolarHBondContact O-CB 3.25Å; V113-K117 PolarHBondContact O-N 2.96Å
114E98.6Very high96.5Very high24 Ų2458.9 Ų58.911%0.11229%0.286CS..Hα-helixtrans-70.8-36.4-179.7-69.6-64.7143.700113.1W86 E110 A111 K112 K117 I118W86-E114 HydrophobicContact CH2-CB 4.4Å; W86-E114 HydrophobicContact CZ3-CB 3.72Å; W86-E114 HydrophobicContact CZ3-CG 4.41Å; E110-E114 PolarHBondContact O-N 2.78Å; E110-E114 VanDerWaalsContact O-N 3.15Å; A111-E114 PolarHBondContact O-N 2.82Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 3.29Å; E114-K117 PolarHBondContact O-N 3.23Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 3.11Å; E114-K117 IonicContact OE2-NZ 3.02Å; E114-K117 PolarHBondContact OE2-NZ 3Å; E114-I118 WeakPolarHBondContact O-CG1 3.32Å; E114-I118 PolarHBondContact O-N 2.92Å
115L98.4Very high96.2Very high2 Ų259.9 Ų59.91%0.0129%0.29CS..Hα-helixtrans-58.5-53.3173.5172.660.3000110.8F98 A111 K112 K117 I118 T119 V129 I131 L151 V153 L156F98-L115 HydrophobicContact CB-CD1 4.07Å; F98-L115 HydrophobicContact CD1-CB 4.3Å; F98-L115 HydrophobicContact CD1-CD1 4.16Å; F98-L115 HydrophobicContact CD1-CD2 4.27Å; F98-L115 HydrophobicContact CD1-CG 4.47Å; F98-L115 HydrophobicContact CD2-CB 4.3Å; F98-L115 HydrophobicContact CD2-CD1 3.89Å; F98-L115 HydrophobicContact CE1-CB 3.92Å; F98-L115 HydrophobicContact CE1-CD2 4.45Å; F98-L115 HydrophobicContact CE2-CB 3.94Å; F98-L115 HydrophobicContact CE2-CD1 4.39Å; F98-L115 HydrophobicContact CG-CB 4.48Å; F98-L115 HydrophobicContact CG-CD1 3.78Å; F98-L115 HydrophobicContact CZ-CB 3.74Å; A111-L115 VanDerWaalsContact O-CB 3.25Å; A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.09Å; K112-L115 PolarHBondContact O-N 3.28Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 2.92Å; L115-I118 PolarHBondContact O-N 3.08Å; L115-T119 HydrophobicContact CD1-CG2 3.97Å; L115-T119 WeakPolarHBondContact O-CG2 3.5Å; L115-T119 PolarHBondContact O-N 3.42Å; L115-T119 PolarHBondContact O-OG1 3.28Å; L115-T119 VanDerWaalsContact O-OG1 3.13Å; L115-V129 HydrophobicContact CD1-CG1 4.1Å; L115-I131 HydrophobicContact CD2-CG1 4.47Å; L115-L151 HydrophobicContact CD2-CB 4.36Å; L115-L151 HydrophobicContact CD2-CD1 4.42Å; L115-V153 HydrophobicContact CD2-CG1 4.47Å; L115-L156 HydrophobicContact CD1-CD2 4.27Å; L115-L156 HydrophobicContact CD2-CD1 4.28Å; L115-L156 HydrophobicContact CD2-CD2 3.95Å; L115-L156 HydrophobicContact CG-CD2 3.7Å
116H97.9Very high96Very high16 Ų1655.6 Ų55.67%0.07427%0.27CS..Hα-helixtrans-62.6-40.5180-83.1-89.3000112K112 I118 T119 R120 L151 A152K112-H116 WeakPolarHBondContact O-CB 3.31Å; K112-H116 PolarHBondContact O-CD2 3.3Å; K112-H116 PolarHBondContact O-N 3.21Å; H116-I118 VanDerWaalsContact C-N 3.33Å; H116-I118 PolarHBondContact O-N 3.12Å; H116-T119 PolarHBondContact O-OG1 3.37Å; H116-R120 PolarHBondContact ND1-NH2 2.71Å; H116-R120 VanDerWaalsContact O-CB 3.23Å; H116-R120 WeakPolarHBondContact O-CB 3.21Å; H116-R120 WeakPolarHBondContact O-CD 3.48Å; H116-R120 WeakPolarHBondContact O-CG 3.32Å; H116-R120 PolarHBondContact O-N 2.93Å; H116-L151 PolarHBondContact NE2-O 3.22Å; H116-A152 PolarHBondContact CE1-O 3.43Å; H116-A152 PolarHBondContact NE2-O 3.08Å
117K96.8Very high96.1Very high113 Ų11346.8 Ų46.849%0.49123%0.229SC..Hα-helixtrans-58.9-43175.4176.7-176.6170.9-165.80112.1V113 E114 L115 T121V113-K117 VanDerWaalsContact O-CB 3.22Å; V113-K117 WeakPolarHBondContact O-CB 3.25Å; V113-K117 PolarHBondContact O-N 2.96Å; E114-K117 PolarHBondContact O-N 3.23Å; E114-K117 IonicContact OE1-NZ 2.9Å; E114-K117 PolarHBondContact OE1-NZ 3.11Å; E114-K117 IonicContact OE2-NZ 3.02Å; E114-K117 PolarHBondContact OE2-NZ 3Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 2.92Å; K117-T121 WeakPolarHBondContact O-CG2 3.36Å
118I96.6Very high96.1Very high8 Ų844.3 Ų44.34%0.04122%0.22CC..Hα-helixtrans-71.8-46179.6-70.3-61.7000112I26 W86 T90 I96 E114 L115 H116 R120 T121 N124I26-I118 HydrophobicContact CD1-CB 4.46Å; I26-I118 HydrophobicContact CD1-CG1 4.26Å; I26-I118 HydrophobicContact CD1-CG2 3.89Å; W86-I118 HydrophobicContact CB-CD1 3.66Å; W86-I118 HydrophobicContact CB-CG1 4.35Å; W86-I118 HydrophobicContact CE3-CD1 4.38Å; W86-I118 HydrophobicContact CE3-CG1 3.94Å; T90-I118 HydrophobicContact CG2-CG2 3.97Å; I96-I118 HydrophobicContact CD1-CG2 4.25Å; E114-I118 WeakPolarHBondContact O-CG1 3.32Å; E114-I118 PolarHBondContact O-N 2.92Å; L115-I118 PolarHBondContact O-N 3.08Å; H116-I118 VanDerWaalsContact C-N 3.33Å; H116-I118 PolarHBondContact O-N 3.12Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 3.08Å; I118-T121 PolarHBondContact O-N 2.92Å; I118-T121 PolarHBondContact O-OG1 2.96Å; I118-N124 VanDerWaalsContact CG2-ND2 3.34Å; I118-N124 WeakPolarHBondContact CG2-ND2 3.48Å; I118-N124 WeakPolarHBondContact O-CB 3.3Å; I118-N124 PolarHBondContact O-ND2 3.24Å
119T95.1Very high96.1Very high3 Ų344.1 Ų44.12%0.01822%0.219CC..Hα-helixtrans-69.6-29.4-17755.20000112.8L115 H116 T121 V129 L156L115-T119 HydrophobicContact CD1-CG2 3.97Å; L115-T119 WeakPolarHBondContact O-CG2 3.5Å; L115-T119 PolarHBondContact O-N 3.42Å; L115-T119 PolarHBondContact O-OG1 3.28Å; L115-T119 VanDerWaalsContact O-OG1 3.13Å; H116-T119 PolarHBondContact O-OG1 3.37Å; T119-T121 VanDerWaalsContact C-N 3.3Å; T119-T121 PolarHBondContact O-N 2.64Å; T119-V129 HydrophobicContact CG2-CG2 3.82Å; T119-L156 HydrophobicContact CG2-CD2 4.09Å; T119-L156 WeakPolarHBondContact OG1-CD2 3.44Å
120R93.3Very high96.2Very high147 Ų14739.1 Ų39.156%0.55520%0.195SC*.THydrogen-bonded Turntrans-76.9-11.2178.1-69.2174-172.4-136.32.5114.1H116 I118 Q125H116-R120 PolarHBondContact ND1-NH2 2.71Å; H116-R120 VanDerWaalsContact O-CB 3.23Å; H116-R120 WeakPolarHBondContact O-CB 3.21Å; H116-R120 WeakPolarHBondContact O-CD 3.48Å; H116-R120 WeakPolarHBondContact O-CG 3.32Å; H116-R120 PolarHBondContact O-N 2.93Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 3.08Å; R120-Q125 PolarHBondContact O-NE2 3.2Å
121T92.9Very high96.2Very high26 Ų2636 Ų3616%0.1618%0.181CC..SBendtrans-61.8141.1175.465.20000110.9K117 I118 T119 E123 N124 Q125K117-T121 WeakPolarHBondContact O-CG2 3.36Å; I118-T121 PolarHBondContact O-N 2.92Å; I118-T121 PolarHBondContact O-OG1 2.96Å; T119-T121 VanDerWaalsContact C-N 3.3Å; T119-T121 PolarHBondContact O-N 2.64Å; T121-E123 PolarHBondContact O-N 2.95Å; T121-E123 VanDerWaalsContact O-N 3.13Å; T121-N124 PolarHBondContact O-N 2.97Å; T121-N124 VanDerWaalsContact OG1-CB 3.31Å; T121-N124 WeakPolarHBondContact OG1-CB 3.3Å; T121-N124 PolarHBondContact OG1-ND2 3.16Å; T121-N124 VanDerWaalsContact OG1-ND2 3.14Å; T121-Q125 PolarHBondContact O-N 2.92Å
122S92.1Very high96.2Very high98 Ų9836.2 Ų36.269%0.68518%0.181SC*.G310 helixtrans-54.1-34.9-178.338.90000113.4N124S122-N124 VanDerWaalsContact C-N 3.3Å; S122-N124 PolarHBondContact O-N 3.18Å
123E92.2Very high96.2Very high79 Ų7933.6 Ų33.637%0.36917%0.17SC..G310 helixtrans-74.9-20.4-178.8-59.694.2135.200113.1R91 T121R91-E123 HydrophobicContact CG-CB 4.09Å; R91-E123 HydrophobicContact CG-CG 4.2Å; T121-E123 PolarHBondContact O-N 2.95Å; T121-E123 VanDerWaalsContact O-N 3.13Å
124N94.6Very high96.2Very high3 Ų330 Ų302%0.01615%0.148CC..G310 helixtrans-104.9-0.3-177.9-66.3-10.5000113.5T90 I118 T121 S122 G126 V127T90-N124 WeakPolarHBondContact CB-ND2 3.48Å; T90-N124 PolarHBondContact O-OD1 3.24Å; T90-N124 VanDerWaalsContact O-OD1 3.08Å; T90-N124 PolarHBondContact OG1-ND2 3.38Å; T90-N124 PolarHBondContact OG1-OD1 3.02Å; I118-N124 VanDerWaalsContact CG2-ND2 3.34Å; I118-N124 WeakPolarHBondContact CG2-ND2 3.48Å; I118-N124 WeakPolarHBondContact O-CB 3.3Å; I118-N124 PolarHBondContact O-ND2 3.24Å; T121-N124 PolarHBondContact O-N 2.97Å; T121-N124 VanDerWaalsContact OG1-CB 3.31Å; T121-N124 WeakPolarHBondContact OG1-CB 3.3Å; T121-N124 PolarHBondContact OG1-ND2 3.16Å; T121-N124 VanDerWaalsContact OG1-ND2 3.14Å; S122-N124 VanDerWaalsContact C-N 3.3Å; S122-N124 PolarHBondContact O-N 3.18Å; N124-G126 PolarHBondContact O-N 3.2Å; N124-V127 HydrophobicContact CB-CG2 4.32Å; N124-V127 WeakPolarHBondContact O-CB 3.33Å; N124-V127 VanDerWaalsContact O-CG2 3.28Å; N124-V127 WeakPolarHBondContact O-CG2 3.38Å; N124-V127 PolarHBondContact O-N 2.87Å
125Q91.3Very high96.2Very high90 Ų9031.2 Ų31.242%0.42115%0.153SC..THydrogen-bonded Turntrans-55.2124.2178.7-73.4-65.4-27.800111.8R120 T121 V127 R189R120-Q125 PolarHBondContact O-NE2 3.2Å; T121-Q125 PolarHBondContact O-N 2.92Å; Q125-V127 PolarHBondContact O-N 3.14Å; Q125-R189 PolarHBondContact O-NH2 3.41Å
126G92.5Very high96.2Very high9 Ų934.3 Ų34.39%0.09317%0.167CC..THydrogen-bonded Turntrans697.1-178.100000115.4N124 R189N124-G126 PolarHBondContact O-N 3.2Å; G126-R189 WeakPolarHBondContact O-CD 3.49Å; G126-R189 PolarHBondContact O-NE 3.3Å
127V97.1Very high96.2Very high2 Ų236.4 Ų36.41%0.01218%0.179CC..  trans-64129.9169179.30000108.5I96 N124 Q125 R189I96-V127 HydrophobicContact CD1-CB 4.38Å; I96-V127 HydrophobicContact CD1-CG1 3.95Å; I96-V127 HydrophobicContact CG1-CG1 3.86Å; N124-V127 HydrophobicContact CB-CG2 4.32Å; N124-V127 WeakPolarHBondContact O-CB 3.33Å; N124-V127 VanDerWaalsContact O-CG2 3.28Å; N124-V127 WeakPolarHBondContact O-CG2 3.38Å; N124-V127 PolarHBondContact O-N 2.87Å; Q125-V127 PolarHBondContact O-N 3.14Å; V127-R189 VanDerWaalsContact CA-CZ 3.47Å; V127-R189 VanDerWaalsContact CG2-NH2 3.29Å
128P98.3Very high96.3Very high0 Ų034.7 Ų34.70%018%0.175CC..  trans-67.8141.6179.6-1935.5000111.7D94 I96 L161 L182 M185 I186 R189D94-P128 WeakPolarHBondContact O-CD 3.37Å; I96-P128 PolarHBondContact N-O 3.25Å; P128-L161 CarbonylContact C-O 3.54Å; P128-L161 VanDerWaalsContact CA-O 3.27Å; P128-L161 WeakPolarHBondContact CA-O 3.41Å; P128-L161 HydrophobicContact CB-CB 4.34Å; P128-L182 HydrophobicContact CB-CD1 4.19Å; P128-M185 HydrophobicContact CB-CB 3.63Å; P128-M185 HydrophobicContact CB-CE 4.33Å; P128-M185 HydrophobicContact CB-SD 4.46Å; P128-M185 HydrophobicContact CG-CB 4.1Å; P128-I186 HydrophobicContact CG-CG1 4.2Å; P128-R189 HydrophobicContact CG-CB 4.27Å
129V98.7Very high96.3Very high0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-121.4116.3-176.7-172.70000110.1I96 F98 L115 T119 I131 T160 L161 Y162 Q163I96-V129 CarbonylContact O-C 3.57Å; I96-V129 WeakPolarHBondContact O-CA 3.43Å; F98-V129 HydrophobicContact CB-CG1 4.34Å; L115-V129 HydrophobicContact CD1-CG1 4.1Å; T119-V129 HydrophobicContact CG2-CG2 3.82Å; V129-I131 HydrophobicContact CB-CD1 4.4Å; V129-I131 HydrophobicContact CG1-CD1 3.83Å; V129-I131 HydrophobicContact CG1-CG1 4.25Å; V129-T160 HydrophobicContact CG2-CG2 3.86Å; V129-L161 PolarHBondContact N-O 3.07Å; V129-Y162 WeakPolarHBondContact O-CA 3.41Å; V129-Q163 PolarHBondContact O-N 3.08Å; V129-Q163 VanDerWaalsContact O-N 3.11Å
130L98.9Very high96.4Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-92.3119.5165.6174.568.2000108.5I96 V97 F98 L132 Q163 Q165 G178 L179 L182I96-L130 PolarHBondContact O-N 3.34Å; V97-L130 CarbonylContact C-O 3.59Å; V97-L130 WeakPolarHBondContact CA-O 3.43Å; V97-L130 HydrophobicContact CG1-CD2 4.48Å; V97-L130 HydrophobicContact CG2-CB 4.43Å; V97-L130 HydrophobicContact CG2-CD2 4.2Å; F98-L130 PolarHBondContact N-O 3.06Å; L130-L132 HydrophobicContact CD1-CD2 4.28Å; L130-L132 HydrophobicContact CD2-CD2 3.83Å; L130-L132 HydrophobicContact CD2-CG 4.08Å; L130-L132 HydrophobicContact CG-CD2 3.99Å; L130-L132 HydrophobicContact CG-CG 4.18Å; L130-Q163 HydrophobicContact CD1-CB 4.09Å; L130-Q163 HydrophobicContact CD1-CG 4.12Å; L130-Q165 HydrophobicContact CD1-CB 4.17Å; L130-G178 VanDerWaalsContact CD2-C 3.43Å; L130-G178 VanDerWaalsContact CD2-O 3.3Å; L130-G178 WeakPolarHBondContact CD2-O 3.46Å; L130-L179 HydrophobicContact CD2-CD2 4.27Å; L130-L182 HydrophobicContact CB-CB 4.13Å; L130-L182 HydrophobicContact CB-CD1 4.15Å; L130-L182 HydrophobicContact CB-CD2 4.34Å; L130-L182 HydrophobicContact CB-CG 4.44Å; L130-L182 HydrophobicContact CD2-CB 4.22Å
131I98.9Very high96.7Very high0 Ų040.8 Ų40.80%023%0.228CC..EExtended strand (participates in β ladder)trans-93.9118.6170.6-58.984.9000107.7F98 V100 L115 V129 V147 L151 V153 L156 Q163 V164 Q165F98-I131 CarbonylContact O-C 3.59Å; F98-I131 VanDerWaalsContact O-CA 3.29Å; F98-I131 WeakPolarHBondContact O-CA 3.27Å; V100-I131 HydrophobicContact CG2-CG2 4.47Å; L115-I131 HydrophobicContact CD2-CG1 4.47Å; V129-I131 HydrophobicContact CB-CD1 4.4Å; V129-I131 HydrophobicContact CG1-CD1 3.83Å; V129-I131 HydrophobicContact CG1-CG1 4.25Å; I131-V147 HydrophobicContact CG2-CG1 4.5Å; I131-L151 HydrophobicContact CG2-CD1 3.74Å; I131-V153 HydrophobicContact CD1-CG1 4.12Å; I131-V153 HydrophobicContact CG1-CG1 4.27Å; I131-L156 HydrophobicContact CD1-CD1 4.49Å; I131-Q163 PolarHBondContact N-O 2.84Å; I131-V164 HydrophobicContact CB-CB 4.45Å; I131-V164 HydrophobicContact CB-CG1 4.17Å; I131-V164 HydrophobicContact CB-CG2 4.22Å; I131-V164 HydrophobicContact CD1-CG2 4.36Å; I131-V164 HydrophobicContact CG2-CG1 4.09Å; I131-V164 WeakPolarHBondContact O-CA 3.16Å; I131-Q165 PolarHBondContact O-N 2.87Å
132L98.9Very high97Very high6 Ų640.8 Ų40.83%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-97.7106.4172.8-70.6-175.6000109L36 V97 F98 V99 V100 L130 N134 Q165 C167 L175L36-L132 HydrophobicContact CD1-CD1 4.33Å; V97-L132 HydrophobicContact CG1-CD1 3.65Å; V97-L132 HydrophobicContact CG1-CG 3.93Å; F98-L132 PolarHBondContact O-N 3.4Å; V99-L132 HydrophobicContact CG2-CB 4.36Å; V99-L132 HydrophobicContact CG2-CD1 4.47Å; V100-L132 PolarHBondContact N-O 2.93Å; L130-L132 HydrophobicContact CD1-CD2 4.28Å; L130-L132 HydrophobicContact CD2-CD2 3.83Å; L130-L132 HydrophobicContact CD2-CG 4.08Å; L130-L132 HydrophobicContact CG-CD2 3.99Å; L130-L132 HydrophobicContact CG-CG 4.18Å; L132-N134 VanDerWaalsContact C-N 3.35Å; L132-N134 PolarHBondContact O-N 2.91Å; L132-N134 VanDerWaalsContact O-N 3.12Å; L132-Q165 WeakPolarHBondContact CA-O 3.44Å; L132-Q165 HydrophobicContact CD2-CB 4.09Å; L132-Q165 HydrophobicContact CD2-CG 4.3Å; L132-C167 HydrophobicContact CD2-CB 4.48Å; L132-L175 HydrophobicContact CD1-CD2 4.34Å
133A98.8Very high97.3Very high0 Ų038.7 Ų38.70%021%0.213CC..EExtended strand (participates in β ladder)trans-77.588.3169.400000107.7V100 S102 Q136 V147 V164 Q165 G166 C167V100-A133 HydrophobicContact CG2-CB 4.48Å; S102-A133 WeakPolarHBondContact OG-CA 3.43Å; S102-A133 WeakPolarHBondContact OG-CB 3.39Å; S102-A133 PolarHBondContact OG-O 3.34Å; A133-Q136 VanDerWaalsContact O-CG 3.3Å; A133-Q136 WeakPolarHBondContact O-CG 3.19Å; A133-V147 HydrophobicContact CB-CB 4.26Å; A133-V147 HydrophobicContact CB-CG1 4.08Å; A133-V147 HydrophobicContact CB-CG2 4.08Å; A133-V164 HydrophobicContact CB-CG1 4.5Å; A133-Q165 PolarHBondContact N-O 3.5Å; A133-G166 WeakPolarHBondContact O-CA 3.34Å; A133-C167 PolarHBondContact O-N 2.98Å
134N98.8Very high97.6Very high3 Ų337.2 Ų37.22%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-84.2166.3-171.1-170.934.1000112.1A31 L36 V99 V100 S102 L132 C167 S168 A169A31-N134 PolarHBondContact O-ND2 3.25Å; L36-N134 HydrophobicContact CD1-CB 4.32Å; V99-N134 HydrophobicContact CG1-CB 3.89Å; V100-N134 WeakPolarHBondContact O-CB 3.48Å; V100-N134 PolarHBondContact O-N 3.21Å; S102-N134 WeakPolarHBondContact CB-O 3.29Å; S102-N134 PolarHBondContact N-O 2.87Å; S102-N134 PolarHBondContact OG-N 3.01Å; S102-N134 PolarHBondContact OG-O 3.32Å; L132-N134 VanDerWaalsContact C-N 3.35Å; L132-N134 PolarHBondContact O-N 2.91Å; L132-N134 VanDerWaalsContact O-N 3.12Å; N134-C167 CarbonylContact C-O 3.5Å; N134-C167 VanDerWaalsContact CA-O 3.31Å; N134-C167 WeakPolarHBondContact CA-O 3.09Å; N134-C167 PolarHBondContact OD1-O 2.79Å; N134-S168 WeakPolarHBondContact OD1-CA 2.9Å; N134-A169 PolarHBondContact OD1-N 2.8Å
135K98.5Very high97.8Very high51 Ų5139.1 Ų39.122%0.22223%0.23CC..  trans69.530.4179.9-44-163-164.8172.50114.6S30 D101 T103 D137 L138 A141 C167S30-K135 WeakPolarHBondContact O-CE 3.32Å; S30-K135 PolarHBondContact O-NZ 2.8Å; S30-K135 VanDerWaalsContact O-NZ 3.09Å; D101-K135 VanDerWaalsContact CG-CE 3.42Å; D101-K135 WeakPolarHBondContact OD1-CD 3.16Å; D101-K135 IonicContact OD1-NZ 3.81Å; D101-K135 WeakPolarHBondContact OD2-CE 3.36Å; D101-K135 IonicContact OD2-NZ 2.58Å; D101-K135 PolarHBondContact OD2-NZ 3.42Å; T103-K135 HydrophobicContact CG2-CB 4.38Å; K135-D137 VanDerWaalsContact CA-OD1 3.32Å; K135-D137 WeakPolarHBondContact CA-OD1 3.23Å; K135-D137 PolarHBondContact O-N 2.92Å; K135-D137 VanDerWaalsContact O-N 3.13Å; K135-L138 HydrophobicContact CB-CD1 4.08Å; K135-L138 HydrophobicContact CB-CG 4.48Å; K135-L138 HydrophobicContact CD-CD1 4.31Å; K135-L138 PolarHBondContact O-N 3.49Å; K135-L138 VanDerWaalsContact O-N 3.13Å; K135-A141 WeakPolarHBondContact O-CB 3.3Å; K135-C167 PolarHBondContact N-O 3.3Å; K135-C167 VanDerWaalsContact N-O 3.09Å
136Q98.7Very high98.1Very high67 Ų6739.2 Ų39.231%0.31323%0.23SC..THydrogen-bonded Turntrans-67.6-4.7174.9-64.7-72.7-48.600113.5S102 A133 L138 L142 C167S102-Q136 VanDerWaalsContact CB-NE2 3.32Å; S102-Q136 PolarHBondContact OG-NE2 2.82Å; A133-Q136 VanDerWaalsContact O-CG 3.3Å; A133-Q136 WeakPolarHBondContact O-CG 3.19Å; Q136-L138 PolarHBondContact O-N 2.83Å; Q136-L142 PolarHBondContact NE2-O 3.07Å; Q136-C167 PolarHBondContact N-O 2.81Å; Q136-C167 VanDerWaalsContact N-O 3.13Å
137D98.1Very high98.4Very high60 Ų6038.8 Ų38.832%0.32123%0.226SC..THydrogen-bonded Turntrans-72.9-8.9168.755.7-72000113.6K135 S168K135-D137 VanDerWaalsContact CA-OD1 3.32Å; K135-D137 WeakPolarHBondContact CA-OD1 3.23Å; K135-D137 PolarHBondContact O-N 2.92Å; K135-D137 VanDerWaalsContact O-N 3.13Å; D137-S168 WeakPolarHBondContact OD1-CB 3.36Å; D137-S168 PolarHBondContact OD1-OG 2.92Å
138L98.1Very high98.5Very high76 Ų7642 Ų4240%0.39824%0.24SC..SBendtrans-105137.3-178.6-57.5178.4000111.1T103 K135 Q136 S140 A141T103-L138 HydrophobicContact CG2-CB 3.99Å; T103-L138 HydrophobicContact CG2-CD1 3.81Å; K135-L138 HydrophobicContact CB-CD1 4.08Å; K135-L138 HydrophobicContact CB-CG 4.48Å; K135-L138 HydrophobicContact CD-CD1 4.31Å; K135-L138 PolarHBondContact O-N 3.49Å; K135-L138 VanDerWaalsContact O-N 3.13Å; Q136-L138 PolarHBondContact O-N 2.83Å; L138-S140 PolarHBondContact O-N 3.38Å; L138-S140 VanDerWaalsContact O-N 3.16Å; L138-A141 WeakPolarHBondContact O-CB 3.05Å; L138-A141 PolarHBondContact O-N 3.47Å
139D97.1Very high98.5Very high177 Ų17750.2 Ų50.295%0.94728%0.276SS*.THydrogen-bonded Turntrans-61.7-25.8-178.2-63.6-30.1000113.9A141D139-A141 PolarHBondContact O-N 2.91Å
140S97.4Very high98.5Very high86 Ų8653.3 Ų53.360%0.60129%0.293SS*.THydrogen-bonded Turntrans-82.31.2177.559.20000113.8T103 L138 L142T103-S140 WeakPolarHBondContact CG2-OG 3.33Å; L138-S140 PolarHBondContact O-N 3.38Å; L138-S140 VanDerWaalsContact O-N 3.16Å; S140-L142 PolarHBondContact O-N 3.34Å
141A98.6Very high98.5Very high23 Ų2353.3 Ų53.319%0.1929%0.293CS..PPolyproline II helixtrans-68.2126.4-179.600000111.1T103 K135 L138 D139T103-A141 HydrophobicContact CG2-CB 4.27Å; K135-A141 WeakPolarHBondContact O-CB 3.3Å; L138-A141 WeakPolarHBondContact O-CB 3.05Å; L138-A141 PolarHBondContact O-N 3.47Å; D139-A141 PolarHBondContact O-N 2.91Å
142L98.7Very high98.5Very high26 Ų2653.6 Ų53.614%0.13630%0.295CS..PPolyproline II helixtrans-59.4143.7168.7-65.8165.2000110S102 L105 L108 Q136 S140 E146 V147 L150S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 VanDerWaalsContact O-CG 3.25Å; S102-L142 WeakPolarHBondContact O-CG 3.5Å; S102-L142 PolarHBondContact O-N 2.68Å; L105-L142 HydrophobicContact CB-CD1 4.27Å; L105-L142 HydrophobicContact CD1-CD1 3.9Å; L108-L142 HydrophobicContact CD1-CD1 3.35Å; Q136-L142 PolarHBondContact NE2-O 3.07Å; S140-L142 PolarHBondContact O-N 3.34Å; L142-E146 HydrophobicContact CB-CB 4.22Å; L142-E146 HydrophobicContact CD2-CB 4.41Å; L142-V147 HydrophobicContact CB-CG2 4Å; L142-L150 HydrophobicContact CD1-CD1 4.02Å
143S98.6Very high98.4Very high55 Ų5553.3 Ų53.339%0.38529%0.293SS..PPolyproline II helixtrans-64.2157.9174.868.20000111.4G145 E146 V147S143-G145 PolarHBondContact O-N 2.91Å; S143-E146 VanDerWaalsContact CB-OE2 3.28Å; S143-E146 WeakPolarHBondContact CB-OE2 3.21Å; S143-E146 PolarHBondContact N-OE2 2.81Å; S143-E146 PolarHBondContact O-N 2.87Å; S143-E146 VanDerWaalsContact O-N 3.09Å; S143-E146 VanDerWaalsContact OG-CG 3.31Å; S143-E146 WeakPolarHBondContact OG-CG 3.13Å; S143-E146 PolarHBondContact OG-N 2.86Å; S143-E146 PolarHBondContact OG-OE2 3.32Å; S143-V147 PolarHBondContact O-N 2.93Å
144V98.6Very high98.2Very high47 Ų4759.3 Ų59.329%0.28532%0.321SS..Hα-helixtrans-54.1-39.6175.8177.40000111.7V147 E148 V164V144-V147 PolarHBondContact O-N 3.42Å; V144-E148 VanDerWaalsContact O-CB 3.3Å; V144-E148 WeakPolarHBondContact O-CB 3.34Å; V144-E148 PolarHBondContact O-N 3.41Å; V144-V164 HydrophobicContact CG1-CB 3.9Å; V144-V164 HydrophobicContact CG1-CG1 3.72Å
145G98.6Very high98.1Very high44 Ų4463.9 Ų63.945%0.45434%0.342SS..Hα-helixtrans-69.2-35179.100000113.5S143 K149S143-G145 PolarHBondContact O-N 2.91Å; G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 3.12Å
146E98.6Very high97.9Very high92 Ų9261.6 Ų61.643%0.4333%0.333SS..Hα-helixtrans-67.9-46.1173.9-73.6165.4120.600111.2L142 S143 E148 K149 L150L142-E146 HydrophobicContact CB-CB 4.22Å; L142-E146 HydrophobicContact CD2-CB 4.41Å; S143-E146 VanDerWaalsContact CB-OE2 3.28Å; S143-E146 WeakPolarHBondContact CB-OE2 3.21Å; S143-E146 PolarHBondContact N-OE2 2.81Å; S143-E146 PolarHBondContact O-N 2.87Å; S143-E146 VanDerWaalsContact O-N 3.09Å; S143-E146 VanDerWaalsContact OG-CG 3.31Å; S143-E146 WeakPolarHBondContact OG-CG 3.13Å; S143-E146 PolarHBondContact OG-N 2.86Å; S143-E146 PolarHBondContact OG-OE2 3.32Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.25Å; E146-K149 PolarHBondContact O-N 3.47Å; E146-L150 WeakPolarHBondContact O-CB 3.41Å; E146-L150 WeakPolarHBondContact O-CD1 3.32Å; E146-L150 VanDerWaalsContact O-CG 3.23Å; E146-L150 WeakPolarHBondContact O-CG 3.45Å; E146-L150 PolarHBondContact O-N 2.81Å
147V98.8Very high97.3Very high0 Ų059.9 Ų59.90%033%0.333CS..Hα-helixtrans-58.8-45174.7173.10000110.7V100 I131 A133 L142 S143 V144 K149 L150 L151 V164V100-V147 HydrophobicContact CG2-CG1 3.66Å; I131-V147 HydrophobicContact CG2-CG1 4.5Å; A133-V147 HydrophobicContact CB-CB 4.26Å; A133-V147 HydrophobicContact CB-CG1 4.08Å; A133-V147 HydrophobicContact CB-CG2 4.08Å; L142-V147 HydrophobicContact CB-CG2 4Å; S143-V147 PolarHBondContact O-N 2.93Å; V144-V147 PolarHBondContact O-N 3.42Å; V147-K149 VanDerWaalsContact C-N 3.34Å; V147-K149 PolarHBondContact O-N 2.98Å; V147-L150 PolarHBondContact O-N 2.78Å; V147-L151 HydrophobicContact CG1-CD1 3.7Å; V147-L151 HydrophobicContact CG1-CG 4.3Å; V147-L151 WeakPolarHBondContact O-CB 3.31Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 2.82Å; V147-V164 HydrophobicContact CG1-CG1 4.36Å
148E98.6Very high96.6Very high68 Ų6864.9 Ų64.932%0.31836%0.358SS..Hα-helixtrans-57-46.9177.1-171.5170.6-178.900112.1V144 E146 A152 V153 Y162 V164V144-E148 VanDerWaalsContact O-CB 3.3Å; V144-E148 WeakPolarHBondContact O-CB 3.34Å; V144-E148 PolarHBondContact O-N 3.41Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.25Å; E148-A152 PolarHBondContact O-N 2.79Å; E148-V153 HydrophobicContact CB-CG2 4.46Å; E148-V153 HydrophobicContact CG-CG2 3.33Å; E148-V153 PolarHBondContact O-N 2.85Å; E148-Y162 WeakPolarHBondContact OE1-CE2 3.48Å; E148-Y162 PolarHBondContact OE1-OH 2.81Å; E148-V164 HydrophobicContact CB-CG2 3.92Å; E148-V164 HydrophobicContact CG-CG2 3.77Å
149K98.5Very high96.1Very high173 Ų17370 Ų7075%0.75237%0.373SS*.Hα-helixtrans-65.9-49179.1-177.9-178.7176.5-175.30111.8G145 E146 V147 L151 A152G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 3.12Å; E146-K149 PolarHBondContact O-N 3.47Å; V147-K149 VanDerWaalsContact C-N 3.34Å; V147-K149 PolarHBondContact O-N 2.98Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.26Å; K149-A152 PolarHBondContact O-N 3.03Å
150L98.6Very high96Very high66 Ų6662 Ų6235%0.34633%0.331SS..Hα-helixtrans-63.9-39.1-176.6-72.2165.8000111.7L105 L108 K112 L142 E146 V147 A152L105-L150 HydrophobicContact CD1-CD1 3.51Å; L105-L150 HydrophobicContact CD1-CD2 4.34Å; L108-L150 HydrophobicContact CB-CB 4.5Å; L108-L150 HydrophobicContact CD1-CB 4.27Å; L108-L150 HydrophobicContact CD1-CD1 3.55Å; K112-L150 WeakPolarHBondContact CD-O 3.29Å; L142-L150 HydrophobicContact CD1-CD1 4.02Å; E146-L150 WeakPolarHBondContact O-CB 3.41Å; E146-L150 WeakPolarHBondContact O-CD1 3.32Å; E146-L150 VanDerWaalsContact O-CG 3.23Å; E146-L150 WeakPolarHBondContact O-CG 3.45Å; E146-L150 PolarHBondContact O-N 2.81Å; V147-L150 PolarHBondContact O-N 2.78Å; L150-A152 PolarHBondContact O-N 3.13Å
151L98.6Very high96Very high0 Ų060.2 Ų60.20%031%0.314CS..THydrogen-bonded Turntrans-76.5-5.1176.1-65178000113.8V100 L108 A111 K112 L115 H116 I131 V147 K149 V153V100-L151 HydrophobicContact CG1-CD1 3.99Å; V100-L151 HydrophobicContact CG1-CD2 4.4Å; V100-L151 HydrophobicContact CG2-CD1 4.48Å; L108-L151 HydrophobicContact CD2-CD2 4.05Å; L108-L151 HydrophobicContact CD2-CG 4.4Å; A111-L151 HydrophobicContact CB-CD2 4.1Å; K112-L151 HydrophobicContact CB-CD2 4Å; L115-L151 HydrophobicContact CD2-CB 4.36Å; L115-L151 HydrophobicContact CD2-CD1 4.42Å; H116-L151 PolarHBondContact NE2-O 3.22Å; I131-L151 HydrophobicContact CG2-CD1 3.74Å; V147-L151 HydrophobicContact CG1-CD1 3.7Å; V147-L151 HydrophobicContact CG1-CG 4.3Å; V147-L151 WeakPolarHBondContact O-CB 3.31Å; V147-L151 VanDerWaalsContact O-CG 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 2.82Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.26Å; L151-V153 HydrophobicContact CB-CG1 3.67Å; L151-V153 HydrophobicContact CD1-CG1 4.46Å; L151-V153 PolarHBondContact O-N 3.35Å
152A98.3Very high96Very high5 Ų562.9 Ų62.94%0.04132%0.32CS..THydrogen-bonded Turntrans46.546.8-175.900000112.1H116 E148 K149 L150 H154 E155H116-A152 PolarHBondContact CE1-O 3.43Å; H116-A152 PolarHBondContact NE2-O 3.08Å; E148-A152 PolarHBondContact O-N 2.79Å; K149-A152 PolarHBondContact O-N 3.03Å; L150-A152 PolarHBondContact O-N 3.13Å; A152-H154 PolarHBondContact O-N 3.41Å; A152-H154 VanDerWaalsContact O-N 3.16Å; A152-E155 HydrophobicContact CB-CG 4.4Å; A152-E155 WeakPolarHBondContact O-CB 3.2Å; A152-E155 PolarHBondContact O-N 3.01Å
153V97.4Very high96Very high1 Ų165 Ų651%0.00633%0.329CS..G310 helixtrans-65.8-23.5-169.5-57.10000113.4L115 I131 E148 L151 E155 L156 Y162 V164L115-V153 HydrophobicContact CD2-CG1 4.47Å; I131-V153 HydrophobicContact CD1-CG1 4.12Å; I131-V153 HydrophobicContact CG1-CG1 4.27Å; E148-V153 HydrophobicContact CB-CG2 4.46Å; E148-V153 HydrophobicContact CG-CG2 3.33Å; E148-V153 PolarHBondContact O-N 2.85Å; L151-V153 HydrophobicContact CB-CG1 3.67Å; L151-V153 HydrophobicContact CD1-CG1 4.46Å; L151-V153 PolarHBondContact O-N 3.35Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-E155 VanDerWaalsContact O-N 3.15Å; V153-L156 HydrophobicContact CB-CD1 3.94Å; V153-L156 HydrophobicContact CB-CG 4.41Å; V153-L156 HydrophobicContact CG1-CD1 4.38Å; V153-L156 WeakPolarHBondContact O-CB 3.42Å; V153-L156 WeakPolarHBondContact O-CG 3.14Å; V153-L156 PolarHBondContact O-N 2.86Å; V153-L156 VanDerWaalsContact O-N 3.14Å; V153-Y162 HydrophobicContact CB-CD2 4.2Å; V153-Y162 HydrophobicContact CB-CE2 4.24Å; V153-Y162 HydrophobicContact CG2-CD2 3.74Å; V153-Y162 HydrophobicContact CG2-CE1 4.45Å; V153-Y162 HydrophobicContact CG2-CE2 3.36Å; V153-Y162 HydrophobicContact CG2-CG 4.45Å; V153-V164 HydrophobicContact CG1-CG2 4.39Å; V153-V164 HydrophobicContact CG2-CG2 4.18Å
154H95.3Very high96Very high126 Ų12662.6 Ų62.658%0.58331%0.312SS*.G310 helixtrans-62.9-16.9174.266.8-80.7000112.6A152A152-H154 PolarHBondContact O-N 3.41Å; A152-H154 VanDerWaalsContact O-N 3.16Å
155E96.3Very high96Very high99 Ų9962.4 Ų62.446%0.46331%0.308SS..G310 helixtrans-96.45.2178.1-58.7177.4-160.100113.8A152 V153 G157A152-E155 HydrophobicContact CB-CG 4.4Å; A152-E155 WeakPolarHBondContact O-CB 3.2Å; A152-E155 PolarHBondContact O-N 3.01Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-E155 VanDerWaalsContact O-N 3.15Å; E155-G157 PolarHBondContact O-N 3.5Å; E155-G157 VanDerWaalsContact O-N 3.09Å
156L93.7Very high96Very high3 Ų360.9 Ų60.92%0.01629%0.293CS..SBendtrans-67.7-7.9-178.7-65.6173.6000114.4L115 T119 I131 V153 T160L115-L156 HydrophobicContact CD1-CD2 4.27Å; L115-L156 HydrophobicContact CD2-CD1 4.28Å; L115-L156 HydrophobicContact CD2-CD2 3.95Å; L115-L156 HydrophobicContact CG-CD2 3.7Å; T119-L156 HydrophobicContact CG2-CD2 4.09Å; T119-L156 WeakPolarHBondContact OG1-CD2 3.44Å; I131-L156 HydrophobicContact CD1-CD1 4.49Å; V153-L156 HydrophobicContact CB-CD1 3.94Å; V153-L156 HydrophobicContact CB-CG 4.41Å; V153-L156 HydrophobicContact CG1-CD1 4.38Å; V153-L156 WeakPolarHBondContact O-CB 3.42Å; V153-L156 WeakPolarHBondContact O-CG 3.14Å; V153-L156 PolarHBondContact O-N 2.86Å; V153-L156 VanDerWaalsContact O-N 3.14Å; L156-T160 HydrophobicContact CB-CG2 4.07Å; L156-T160 PolarHBondContact O-OG1 3.28Å; L156-T160 VanDerWaalsContact O-OG1 3.13Å
157G85.9Confident96.1Very high31 Ų3156.6 Ų56.632%0.3227%0.273SS..  trans123.9145.9174.900000112.7E155 Y159 T160E155-G157 PolarHBondContact O-N 3.5Å; E155-G157 VanDerWaalsContact O-N 3.09Å; G157-Y159 PolarHBondContact O-N 3.48Å; G157-Y159 VanDerWaalsContact O-N 3.07Å; G157-T160 WeakPolarHBondContact O-CB 3.17Å; G157-T160 PolarHBondContact O-N 2.91Å
158I85.2Confident96Very high165 Ų16556.7 Ų56.785%0.84627%0.274SS*.THydrogen-bonded Turntrans-59.6-27.8-171.1-57.3172.3000112.6
159Y87.8Confident96Very high183 Ų18353.7 Ų53.772%0.71826%0.26SS*.THydrogen-bonded Turntrans-100.4-4.3-179.3-53.8-62.4000113.9G157 L161G157-Y159 PolarHBondContact O-N 3.48Å; G157-Y159 VanDerWaalsContact O-N 3.07Å; Y159-L161 PolarHBondContact O-N 2.72Å
160T94.3Very high96Very high10 Ų1048.7 Ų48.76%0.06124%0.244CC..  trans-84.4105.7-176.5-57.50000109.1V129 L156 G157V129-T160 HydrophobicContact CG2-CG2 3.86Å; L156-T160 HydrophobicContact CB-CG2 4.07Å; L156-T160 PolarHBondContact O-OG1 3.28Å; L156-T160 VanDerWaalsContact O-OG1 3.13Å; G157-T160 WeakPolarHBondContact O-CB 3.17Å; G157-T160 PolarHBondContact O-N 2.91Å
161L97.6Very high95.8Very high47 Ų4748.8 Ų48.825%0.24625%0.245CC..  trans-70131.6170.4-61.3175.4000109P128 V129 Y159 M185 K188P128-L161 CarbonylContact C-O 3.54Å; P128-L161 VanDerWaalsContact CA-O 3.27Å; P128-L161 WeakPolarHBondContact CA-O 3.41Å; P128-L161 HydrophobicContact CB-CB 4.34Å; V129-L161 PolarHBondContact N-O 3.07Å; Y159-L161 PolarHBondContact O-N 2.72Å; L161-M185 VanDerWaalsContact C-SD 3.58Å; L161-M185 HydrophobicContact CB-CB 4.05Å; L161-M185 HydrophobicContact CB-CG 4.03Å; L161-M185 HydrophobicContact CB-SD 3.67Å; L161-M185 HydrophobicContact CD1-CB 4Å; L161-M185 HydrophobicContact CD1-CG 4.41Å; L161-M185 WeakPolarHBondContact CD1-O 3.48Å; L161-K188 HydrophobicContact CD1-CB 4Å; L161-K188 HydrophobicContact CD1-CD 3.87Å; L161-K188 HydrophobicContact CD1-CG 4.02Å; L161-K188 HydrophobicContact CD2-CD 4.33Å
162Y98.4Very high95.8Very high80 Ų8049.9 Ų49.931%0.31426%0.256SS..EExtended strand (participates in β ladder)trans-134.6158.9177.173.2-95.1000112.8V129 E148 V153 M185V129-Y162 WeakPolarHBondContact O-CA 3.41Å; E148-Y162 WeakPolarHBondContact OE1-CE2 3.48Å; E148-Y162 PolarHBondContact OE1-OH 2.81Å; V153-Y162 HydrophobicContact CB-CD2 4.2Å; V153-Y162 HydrophobicContact CB-CE2 4.24Å; V153-Y162 HydrophobicContact CG2-CD2 3.74Å; V153-Y162 HydrophobicContact CG2-CE1 4.45Å; V153-Y162 HydrophobicContact CG2-CE2 3.36Å; V153-Y162 HydrophobicContact CG2-CG 4.45Å; Y162-M185 VanDerWaalsContact C-SD 3.5Å
163Q98.6Very high95.8Very high69 Ų6956 Ų5632%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-142.5135.3168.4176.966.344.300108.3V129 L130 I131 K181 M185V129-Q163 PolarHBondContact O-N 3.08Å; V129-Q163 VanDerWaalsContact O-N 3.11Å; L130-Q163 HydrophobicContact CD1-CB 4.09Å; L130-Q163 HydrophobicContact CD1-CG 4.12Å; I131-Q163 PolarHBondContact N-O 2.84Å; Q163-K181 HydrophobicContact CB-CB 4.31Å; Q163-K181 HydrophobicContact CG-CB 3.96Å; Q163-K181 HydrophobicContact CG-CG 4.16Å; Q163-M185 HydrophobicContact CB-CE 3.9Å; Q163-M185 HydrophobicContact CB-SD 4.38Å
164V98.8Very high95.8Very high6 Ų656.8 Ų56.84%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-101.3131.5165.9-1640000108.5I131 A133 V144 V147 E148 V153I131-V164 HydrophobicContact CB-CB 4.45Å; I131-V164 HydrophobicContact CB-CG1 4.17Å; I131-V164 HydrophobicContact CB-CG2 4.22Å; I131-V164 HydrophobicContact CD1-CG2 4.36Å; I131-V164 HydrophobicContact CG2-CG1 4.09Å; I131-V164 WeakPolarHBondContact O-CA 3.16Å; A133-V164 HydrophobicContact CB-CG1 4.5Å; V144-V164 HydrophobicContact CG1-CB 3.9Å; V144-V164 HydrophobicContact CG1-CG1 3.72Å; V147-V164 HydrophobicContact CG1-CG1 4.36Å; E148-V164 HydrophobicContact CB-CG2 3.92Å; E148-V164 HydrophobicContact CG-CG2 3.77Å; V153-V164 HydrophobicContact CG1-CG2 4.39Å; V153-V164 HydrophobicContact CG2-CG2 4.18Å
165Q98.8Very high95.9Very high42 Ų4251 Ų5120%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-134.8122.5-178.3176.463.462.300109.2L130 I131 L132 A133 G174L130-Q165 HydrophobicContact CD1-CB 4.17Å; I131-Q165 PolarHBondContact O-N 2.87Å; L132-Q165 WeakPolarHBondContact CA-O 3.44Å; L132-Q165 HydrophobicContact CD2-CB 4.09Å; L132-Q165 HydrophobicContact CD2-CG 4.3Å; A133-Q165 PolarHBondContact N-O 3.5Å; Q165-G174 WeakPolarHBondContact CG-O 3.48Å
166G98.8Very high95.9Very high13 Ų1349 Ų4913%0.13426%0.256CS..EExtended strand (participates in β ladder)trans-67134.9168.200000110.1A133A133-G166 WeakPolarHBondContact O-CA 3.34Å
167C98.8Very high96.1Very high2 Ų252.1 Ų52.11%0.01428%0.275CS..  trans-151.7168.9178.370.80000113.3L132 A133 N134 K135 Q136 Q173 L175L132-C167 HydrophobicContact CD2-CB 4.48Å; A133-C167 PolarHBondContact O-N 2.98Å; N134-C167 CarbonylContact C-O 3.5Å; N134-C167 VanDerWaalsContact CA-O 3.31Å; N134-C167 WeakPolarHBondContact CA-O 3.09Å; N134-C167 PolarHBondContact OD1-O 2.79Å; K135-C167 PolarHBondContact N-O 3.3Å; K135-C167 VanDerWaalsContact N-O 3.09Å; Q136-C167 PolarHBondContact N-O 2.81Å; Q136-C167 VanDerWaalsContact N-O 3.13Å; C167-Q173 WeakPolarHBondContact CA-O 3.27Å; C167-Q173 WeakPolarHBondContact CB-O 3.46Å; C167-L175 HydrophobicContact CB-CD2 3.47Å; C167-L175 VanDerWaalsContact CB-CD2 3.47Å; C167-L175 HydrophobicContact CB-CG 4.36Å
168S98.6Very high96.7Very high2 Ų250.6 Ų50.61%0.01426%0.26CS..  trans-135.1131.3165.9172.30000111.5N134 D137 V170 D171 G172 Q173N134-S168 WeakPolarHBondContact OD1-CA 2.9Å; D137-S168 WeakPolarHBondContact OD1-CB 3.36Å; D137-S168 PolarHBondContact OD1-OG 2.92Å; S168-V170 PolarHBondContact O-N 3.03Å; S168-V170 WeakPolarHBondContact OG-CB 3.49Å; S168-V170 PolarHBondContact OG-N 2.99Å; S168-D171 VanDerWaalsContact CB-OD1 3.24Å; S168-D171 WeakPolarHBondContact CB-OD1 3.43Å; S168-G172 WeakPolarHBondContact O-CA 3.15Å; S168-G172 PolarHBondContact O-N 2.84Å; S168-Q173 PolarHBondContact N-O 2.78Å; S168-Q173 VanDerWaalsContact N-O 3.1Å
169A97.9Very high97.2Very high4 Ų443.1 Ų43.13%0.03322%0.222CC..THydrogen-bonded Turntrans-67.2-26.5168.200000112.1L36 R39 F45 N134L36-A169 HydrophobicContact CD2-CB 3.77Å; L36-A169 HydrophobicContact CG-CB 3.81Å; R39-A169 WeakPolarHBondContact CB-O 3.46Å; R39-A169 WeakPolarHBondContact CG-O 3.26Å; R39-A169 PolarHBondContact NE-O 2.58Å; F45-A169 HydrophobicContact CD2-CB 4.49Å; F45-A169 WeakPolarHBondContact CD2-O 3.36Å; N134-A169 PolarHBondContact OD1-N 2.8Å
170V97.4Very high97.6Very high68 Ų6837.2 Ų37.241%0.41220%0.2SC..THydrogen-bonded Turntrans-74.1-35.6-173.7177.60000111.3R39 F45 S168R39-V170 PolarHBondContact NH2-O 2.94Å; F45-V170 HydrophobicContact CD2-CG2 4.23Å; F45-V170 HydrophobicContact CE2-CG2 4.05Å; F45-V170 HydrophobicContact CZ-CG2 4.42Å; S168-V170 PolarHBondContact O-N 3.03Å; S168-V170 WeakPolarHBondContact OG-CB 3.49Å; S168-V170 PolarHBondContact OG-N 2.99Å
171D96.2Very high97.8Very high69 Ų6940.3 Ų40.337%0.36921%0.213SC..THydrogen-bonded Turntrans-118.3-13179.164.514.1000113.5S168 Q173S168-D171 VanDerWaalsContact CB-OD1 3.24Å; S168-D171 WeakPolarHBondContact CB-OD1 3.43Å; D171-Q173 VanDerWaalsContact C-N 3.35Å; D171-Q173 VanDerWaalsContact OD1-CB 3.3Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.34Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D171-Q173 PolarHBondContact OD1-N 2.91Å; D171-Q173 WeakPolarHBondContact OD2-CG 3.41Å; D171-Q173 PolarHBondContact OD2-NE2 2.99Å
172G97.5Very high97.8Very high22 Ų2238 Ų3823%0.22720%0.201CC..  trans84.62.1-179.300000114.8S168 L175S168-G172 WeakPolarHBondContact O-CA 3.15Å; S168-G172 PolarHBondContact O-N 2.84Å; G172-L175 WeakPolarHBondContact O-CG 3.49Å; G172-L175 PolarHBondContact O-N 3.45Å
173Q98.2Very high97.8Very high134 Ų13435.8 Ų35.863%0.62619%0.192SC*.THydrogen-bonded Turntrans-59.8141.9178-70.3-169.757.500111.2C167 S168 D171 L175C167-Q173 WeakPolarHBondContact CA-O 3.27Å; C167-Q173 WeakPolarHBondContact CB-O 3.46Å; S168-Q173 PolarHBondContact N-O 2.78Å; S168-Q173 VanDerWaalsContact N-O 3.1Å; D171-Q173 VanDerWaalsContact C-N 3.35Å; D171-Q173 VanDerWaalsContact OD1-CB 3.3Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.34Å; D171-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D171-Q173 PolarHBondContact OD1-N 2.91Å; D171-Q173 WeakPolarHBondContact OD2-CG 3.41Å; D171-Q173 PolarHBondContact OD2-NE2 2.99Å; Q173-L175 PolarHBondContact O-N 3.35Å
174G98.1Very high97.6Very high18 Ų1837.2 Ų37.219%0.18620%0.199CC..THydrogen-bonded Turntrans74.1-16.1177.800000116.2Q165 G178Q165-G174 WeakPolarHBondContact CG-O 3.48Å; G174-G178 PolarHBondContact O-N 3.09Å
175L97.7Very high97.6Very high3 Ų338 Ų382%0.01620%0.202CC..Hα-helixtrans-65.6-48.9-175-56.6-175000113.1L36 R39 L40 L132 C167 G172 Q173 G178 L179L36-L175 HydrophobicContact CD2-CD1 3.94Å; L36-L175 HydrophobicContact CD2-CD2 3.13Å; L36-L175 HydrophobicContact CD2-CG 4.15Å; L36-L175 HydrophobicContact CG-CD2 4.47Å; R39-L175 HydrophobicContact CB-CD1 4.12Å; R39-L175 HydrophobicContact CG-CD1 3.61Å; L40-L175 HydrophobicContact CD2-CB 3.79Å; L40-L175 HydrophobicContact CD2-CD1 4.42Å; L40-L175 HydrophobicContact CG-CB 4.25Å; L40-L175 HydrophobicContact CG-CD1 4.09Å; L132-L175 HydrophobicContact CD1-CD2 4.34Å; C167-L175 HydrophobicContact CB-CD2 3.47Å; C167-L175 VanDerWaalsContact CB-CD2 3.47Å; C167-L175 HydrophobicContact CB-CG 4.36Å; G172-L175 WeakPolarHBondContact O-CG 3.49Å; G172-L175 PolarHBondContact O-N 3.45Å; Q173-L175 PolarHBondContact O-N 3.35Å; L175-G178 PolarHBondContact O-N 3.02Å; L175-L179 WeakPolarHBondContact O-CG 3.36Å; L175-L179 PolarHBondContact O-N 3.49Å
176Q96Very high97.5Very high58 Ų5836 Ų3627%0.27119%0.193SC..Hα-helixtrans-62.2-46.2179.9179.65634.600110.8A62 G178 L179 E180A62-Q176 PolarHBondContact O-NE2 3.13Å; Q176-G178 VanDerWaalsContact C-N 3.35Å; Q176-G178 PolarHBondContact O-N 3.04Å; Q176-L179 PolarHBondContact O-N 2.99Å; Q176-E180 PolarHBondContact NE2-OE1 3.13Å; Q176-E180 WeakPolarHBondContact O-CG 3.37Å; Q176-E180 PolarHBondContact O-N 2.87Å
177T96.9Very high97.3Very high68 Ų6836.8 Ų36.842%0.41719%0.194SC..Hα-helixtrans-58.1-44.4175.9-50.30000112E180 K181T177-E180 PolarHBondContact O-N 3.13Å; T177-K181 WeakPolarHBondContact O-CG 3.31Å; T177-K181 PolarHBondContact O-N 3.1Å; T177-K181 VanDerWaalsContact O-N 3.08Å
178G98.2Very high97.1Very high0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-61.6-45.9176.800000112.7L130 G174 L175 Q176 E180 K181 L182L130-G178 VanDerWaalsContact CD2-C 3.43Å; L130-G178 VanDerWaalsContact CD2-O 3.3Å; L130-G178 WeakPolarHBondContact CD2-O 3.46Å; G174-G178 PolarHBondContact O-N 3.09Å; L175-G178 PolarHBondContact O-N 3.02Å; Q176-G178 VanDerWaalsContact C-N 3.35Å; Q176-G178 PolarHBondContact O-N 3.04Å; G178-E180 PolarHBondContact O-N 3.49Å; G178-K181 PolarHBondContact O-N 3.05Å; G178-L182 PolarHBondContact O-N 2.83Å
179L97.4Very high96.9Very high8 Ų845.8 Ų45.84%0.04223%0.231CC..Hα-helixtrans-67.4-34.1179.2-66.2-175.1000113.1L40 I59 V61 F71 V97 L130 L175 Q176 K181 L182 Y183L40-L179 HydrophobicContact CD1-CD1 3.72Å; L40-L179 HydrophobicContact CD2-CD1 3.59Å; L40-L179 HydrophobicContact CG-CD1 4.27Å; I59-L179 HydrophobicContact CD1-CD1 3.83Å; V61-L179 HydrophobicContact CG1-CB 3.74Å; V61-L179 HydrophobicContact CG1-CD1 4.37Å; V61-L179 HydrophobicContact CG2-CB 4.43Å; V61-L179 HydrophobicContact CG2-CD1 3.8Å; F71-L179 HydrophobicContact CD2-CD2 4.49Å; F71-L179 HydrophobicContact CE2-CB 4.47Å; F71-L179 HydrophobicContact CE2-CD2 4.14Å; V97-L179 HydrophobicContact CG2-CD2 4.48Å; L130-L179 HydrophobicContact CD2-CD2 4.27Å; L175-L179 WeakPolarHBondContact O-CG 3.36Å; L175-L179 PolarHBondContact O-N 3.49Å; Q176-L179 PolarHBondContact O-N 2.99Å; L179-K181 VanDerWaalsContact C-N 3.35Å; L179-L182 PolarHBondContact O-N 2.74Å; L179-Y183 WeakPolarHBondContact O-CB 3.49Å; L179-Y183 PolarHBondContact O-N 3.3Å
180E96.1Very high96.6Very high58 Ų5848.4 Ų48.427%0.27124%0.242SC..Hα-helixtrans-61.3-44.3171.3-75.7172.8-168.600111.2A62 Q176 T177 G178 Y183 E184A62-E180 WeakPolarHBondContact O-CG 3.5Å; Q176-E180 PolarHBondContact NE2-OE1 3.13Å; Q176-E180 WeakPolarHBondContact O-CG 3.37Å; Q176-E180 PolarHBondContact O-N 2.87Å; T177-E180 PolarHBondContact O-N 3.13Å; G178-E180 PolarHBondContact O-N 3.49Å; E180-Y183 WeakPolarHBondContact O-CB 3.26Å; E180-Y183 PolarHBondContact O-N 3.16Å; E180-E184 WeakPolarHBondContact O-CG 3.39Å; E180-E184 PolarHBondContact O-N 3.47Å
181K97.9Very high96.2Very high75 Ų7550.2 Ų50.233%0.32624%0.244SC..Hα-helixtrans-63.3-42174.8-68.4-65.7168.8-1590112.6Q163 T177 G178 L179 Y183 E184 M185Q163-K181 HydrophobicContact CB-CB 4.31Å; Q163-K181 HydrophobicContact CG-CB 3.96Å; Q163-K181 HydrophobicContact CG-CG 4.16Å; T177-K181 WeakPolarHBondContact O-CG 3.31Å; T177-K181 PolarHBondContact O-N 3.1Å; T177-K181 VanDerWaalsContact O-N 3.08Å; G178-K181 PolarHBondContact O-N 3.05Å; L179-K181 VanDerWaalsContact C-N 3.35Å; K181-Y183 VanDerWaalsContact C-N 3.32Å; K181-Y183 PolarHBondContact O-N 3.46Å; K181-E184 WeakPolarHBondContact CD-OE2 3.15Å; K181-E184 IonicContact NZ-OE1 3.11Å; K181-E184 IonicContact NZ-OE2 3.2Å; K181-E184 PolarHBondContact NZ-OE2 2.56Å; K181-E184 PolarHBondContact O-N 2.86Å; K181-M185 WeakPolarHBondContact O-CG 3.24Å; K181-M185 PolarHBondContact O-N 2.93Å
182L98.3Very high95.8Very high0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-59-45.6173.9-177.658.3000111.3V23 F71 V97 P128 L130 G178 L179 E184 M185 I186V23-L182 HydrophobicContact CG1-CD2 3.94Å; V23-L182 HydrophobicContact CG2-CD2 4.29Å; F71-L182 HydrophobicContact CE2-CD2 4.24Å; V97-L182 HydrophobicContact CG2-CD2 3.62Å; P128-L182 HydrophobicContact CB-CD1 4.19Å; L130-L182 HydrophobicContact CB-CB 4.13Å; L130-L182 HydrophobicContact CB-CD1 4.15Å; L130-L182 HydrophobicContact CB-CD2 4.34Å; L130-L182 HydrophobicContact CB-CG 4.44Å; L130-L182 HydrophobicContact CD2-CB 4.22Å; G178-L182 PolarHBondContact O-N 2.83Å; L179-L182 PolarHBondContact O-N 2.74Å; L182-E184 PolarHBondContact O-N 3.26Å; L182-M185 HydrophobicContact CD1-CE 4.23Å; L182-M185 PolarHBondContact O-N 3.17Å; L182-I186 HydrophobicContact CD1-CD1 4.24Å; L182-I186 HydrophobicContact CD1-CG1 4.36Å; L182-I186 HydrophobicContact CG-CD1 3.91Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 VanDerWaalsContact O-CG1 3.24Å; L182-I186 WeakPolarHBondContact O-CG1 3.18Å; L182-I186 PolarHBondContact O-N 2.9Å
183Y96.8Very high95.2Very high32 Ų3253.3 Ų53.313%0.12526%0.261CS..Hα-helixtrans-57.4-48.9176.3175.1-106.4000112.1L21 V63 T69 F71 L179 E180 K181 M185 I186 L187L21-Y183 HydrophobicContact CD1-CD2 3.6Å; L21-Y183 HydrophobicContact CD1-CE2 3.94Å; V63-Y183 HydrophobicContact CB-CD1 3.94Å; V63-Y183 HydrophobicContact CB-CE1 3.89Å; V63-Y183 HydrophobicContact CG1-CD1 3.41Å; V63-Y183 VanDerWaalsContact CG1-CD1 3.41Å; V63-Y183 HydrophobicContact CG1-CD2 4.28Å; V63-Y183 HydrophobicContact CG1-CE1 3.8Å; V63-Y183 HydrophobicContact CG1-CG 3.65Å; V63-Y183 HydrophobicContact CG2-CE1 4.08Å; T69-Y183 HydrophobicContact CG2-CD2 3.84Å; T69-Y183 HydrophobicContact CG2-CE2 3.91Å; F71-Y183 HydrophobicContact CE1-CD2 4.37Å; L179-Y183 WeakPolarHBondContact O-CB 3.49Å; L179-Y183 PolarHBondContact O-N 3.3Å; E180-Y183 WeakPolarHBondContact O-CB 3.26Å; E180-Y183 PolarHBondContact O-N 3.16Å; K181-Y183 VanDerWaalsContact C-N 3.32Å; K181-Y183 PolarHBondContact O-N 3.46Å; Y183-M185 VanDerWaalsContact C-N 3.32Å; Y183-M185 PolarHBondContact O-N 2.81Å; Y183-I186 WeakPolarHBondContact O-CB 3.39Å; Y183-I186 PolarHBondContact O-N 3.2Å; Y183-L187 HydrophobicContact CD1-CD1 4.26Å; Y183-L187 HydrophobicContact CD1-CG 4.41Å; Y183-L187 HydrophobicContact CD2-CD2 4.45Å; Y183-L187 HydrophobicContact CD2-CG 4.45Å; Y183-L187 HydrophobicContact CE1-CD1 3.55Å; Y183-L187 HydrophobicContact CE1-CG 4.07Å; Y183-L187 HydrophobicContact CE2-CD1 4.24Å; Y183-L187 HydrophobicContact CE2-CD2 3.88Å; Y183-L187 HydrophobicContact CE2-CG 4.09Å; Y183-L187 WeakPolarHBondContact O-CG 3.4Å; Y183-L187 PolarHBondContact O-N 2.93Å
184E96Very high94.3Very high100 Ų10053.6 Ų53.647%0.46726%0.26SS..Hα-helixtrans-55.7-46.4177-72.5174.8177.300111.9E180 K181 L182 L187 K188E180-E184 WeakPolarHBondContact O-CG 3.39Å; E180-E184 PolarHBondContact O-N 3.47Å; K181-E184 WeakPolarHBondContact CD-OE2 3.15Å; K181-E184 IonicContact NZ-OE1 3.11Å; K181-E184 IonicContact NZ-OE2 3.2Å; K181-E184 PolarHBondContact NZ-OE2 2.56Å; K181-E184 PolarHBondContact O-N 2.86Å; L182-E184 PolarHBondContact O-N 3.26Å; E184-L187 PolarHBondContact O-N 3.25Å; E184-K188 PolarHBondContact O-N 3.47Å
185M97.7Very high93.4Very high21 Ų2158.6 Ų58.610%0.10328%0.279CS..Hα-helixtrans-65.3-39.4178.4-64.9-170.4-7000112.5P128 L161 Y162 Q163 K181 L182 Y183 L187 K188 R189P128-M185 HydrophobicContact CB-CB 3.63Å; P128-M185 HydrophobicContact CB-CE 4.33Å; P128-M185 HydrophobicContact CB-SD 4.46Å; P128-M185 HydrophobicContact CG-CB 4.1Å; L161-M185 VanDerWaalsContact C-SD 3.58Å; L161-M185 HydrophobicContact CB-CB 4.05Å; L161-M185 HydrophobicContact CB-CG 4.03Å; L161-M185 HydrophobicContact CB-SD 3.67Å; L161-M185 HydrophobicContact CD1-CB 4Å; L161-M185 HydrophobicContact CD1-CG 4.41Å; L161-M185 WeakPolarHBondContact CD1-O 3.48Å; Y162-M185 VanDerWaalsContact C-SD 3.5Å; Q163-M185 HydrophobicContact CB-CE 3.9Å; Q163-M185 HydrophobicContact CB-SD 4.38Å; K181-M185 WeakPolarHBondContact O-CG 3.24Å; K181-M185 PolarHBondContact O-N 2.93Å; L182-M185 HydrophobicContact CD1-CE 4.23Å; L182-M185 PolarHBondContact O-N 3.17Å; Y183-M185 VanDerWaalsContact C-N 3.32Å; Y183-M185 PolarHBondContact O-N 2.81Å; M185-L187 VanDerWaalsContact C-N 3.34Å; M185-L187 PolarHBondContact O-N 3.09Å; M185-K188 PolarHBondContact O-N 3.12Å; M185-R189 PolarHBondContact O-N 3.17Å
186I96.7Very high92.4Very high1 Ų161.3 Ų61.31%0.00530%0.298CS..Hα-helixtrans-59.2-46.3174.3-69.8168.9000110.4L21 V23 D94 P128 L182 Y183 R189 K190L21-I186 HydrophobicContact CD1-CD1 4.26Å; L21-I186 HydrophobicContact CD1-CG2 4.24Å; L21-I186 HydrophobicContact CD2-CG2 4.03Å; V23-I186 HydrophobicContact CG2-CD1 4.47Å; D94-I186 HydrophobicContact CB-CD1 4.04Å; D94-I186 HydrophobicContact CB-CG1 4.4Å; D94-I186 HydrophobicContact CB-CG2 4.04Å; D94-I186 WeakPolarHBondContact O-CG1 3.44Å; P128-I186 HydrophobicContact CG-CG1 4.2Å; L182-I186 HydrophobicContact CD1-CD1 4.24Å; L182-I186 HydrophobicContact CD1-CG1 4.36Å; L182-I186 HydrophobicContact CG-CD1 3.91Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 VanDerWaalsContact O-CG1 3.24Å; L182-I186 WeakPolarHBondContact O-CG1 3.18Å; L182-I186 PolarHBondContact O-N 2.9Å; Y183-I186 WeakPolarHBondContact O-CB 3.39Å; Y183-I186 PolarHBondContact O-N 3.2Å; I186-R189 PolarHBondContact O-N 2.97Å; I186-K190 HydrophobicContact CG2-CD 4.21Å; I186-K190 WeakPolarHBondContact O-CG 3.3Å; I186-K190 PolarHBondContact O-N 3.36Å
187L94.3Very high91.4Very high29 Ų2966.9 Ų66.915%0.15232%0.316CS..Hα-helixtrans-63.8-43.2178.6-64.4-161.7000112.1L15 Y183 E184 M185 R189 K190 K191L15-L187 HydrophobicContact CD1-CD1 3.64Å; L15-L187 HydrophobicContact CD1-CD2 3.31Å; L15-L187 HydrophobicContact CD1-CG 4.05Å; L15-L187 HydrophobicContact CD2-CD2 4.45Å; Y183-L187 HydrophobicContact CD1-CD1 4.26Å; Y183-L187 HydrophobicContact CD1-CG 4.41Å; Y183-L187 HydrophobicContact CD2-CD2 4.45Å; Y183-L187 HydrophobicContact CD2-CG 4.45Å; Y183-L187 HydrophobicContact CE1-CD1 3.55Å; Y183-L187 HydrophobicContact CE1-CG 4.07Å; Y183-L187 HydrophobicContact CE2-CD1 4.24Å; Y183-L187 HydrophobicContact CE2-CD2 3.88Å; Y183-L187 HydrophobicContact CE2-CG 4.09Å; Y183-L187 WeakPolarHBondContact O-CG 3.4Å; Y183-L187 PolarHBondContact O-N 2.93Å; E184-L187 PolarHBondContact O-N 3.25Å; M185-L187 VanDerWaalsContact C-N 3.34Å; M185-L187 PolarHBondContact O-N 3.09Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 3.48Å; L187-K190 PolarHBondContact O-N 2.93Å; L187-K191 WeakPolarHBondContact O-CG 3.33Å; L187-K191 PolarHBondContact O-N 2.99Å
188K95Very high90.2Very high128 Ų12868.3 Ų68.356%0.55732%0.321SS*.Hα-helixtrans-58-47.8176.8-175.1173.6177-177.50110.7L161 E184 M185 K191 T192L161-K188 HydrophobicContact CD1-CB 4Å; L161-K188 HydrophobicContact CD1-CD 3.87Å; L161-K188 HydrophobicContact CD1-CG 4.02Å; L161-K188 HydrophobicContact CD2-CD 4.33Å; E184-K188 PolarHBondContact O-N 3.47Å; M185-K188 PolarHBondContact O-N 3.12Å; K188-K191 PolarHBondContact O-N 3.08Å; K188-T192 PolarHBondContact O-N 3.34Å; K188-T192 VanDerWaalsContact O-N 3.08Å; K188-T192 PolarHBondContact O-OG1 2.83Å; K188-T192 VanDerWaalsContact O-OG1 3.12Å
189R94.1Very high88.7Confident65 Ų6579 Ų7925%0.24536%0.362CS..Hα-helixtrans-59.5-49.7175.8-177.2-173.2-176-1568.8112.3Q125 G126 V127 P128 M185 I186 L187 K191 T192 V193Q125-R189 PolarHBondContact O-NH2 3.41Å; G126-R189 WeakPolarHBondContact O-CD 3.49Å; G126-R189 PolarHBondContact O-NE 3.3Å; V127-R189 VanDerWaalsContact CA-CZ 3.47Å; V127-R189 VanDerWaalsContact CG2-NH2 3.29Å; P128-R189 HydrophobicContact CG-CB 4.27Å; M185-R189 PolarHBondContact O-N 3.17Å; I186-R189 PolarHBondContact O-N 2.97Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 3.48Å; R189-K191 VanDerWaalsContact C-N 3.27Å; R189-K191 PolarHBondContact O-N 3.49Å; R189-T192 PolarHBondContact O-N 3.35Å; R189-T192 VanDerWaalsContact O-N 3.14Å; R189-V193 HydrophobicContact CG-CG2 4.37Å; R189-V193 WeakPolarHBondContact O-CG2 3.35Å; R189-V193 PolarHBondContact O-N 2.9Å
190K91.6Very high87Confident59 Ų5987.6 Ų87.626%0.25740%0.399SS..Hα-helixtrans-58.4-39.4-179.9-75.6-175.3176.4-175.90111.9D94 I186 L187 K194D94-K190 WeakPolarHBondContact OD1-CE 3.39Å; D94-K190 IonicContact OD1-NZ 3.28Å; D94-K190 PolarHBondContact OD1-NZ 3.37Å; D94-K190 IonicContact OD2-NZ 3.72Å; I186-K190 HydrophobicContact CG2-CD 4.21Å; I186-K190 WeakPolarHBondContact O-CG 3.3Å; I186-K190 PolarHBondContact O-N 3.36Å; L187-K190 PolarHBondContact O-N 2.93Å; K190-K194 WeakPolarHBondContact O-CB 3.39Å; K190-K194 PolarHBondContact O-N 2.84Å; K190-K194 VanDerWaalsContact O-N 3.11Å
191K90.1Very high84.9Confident106 Ų10697.9 Ų97.946%0.46144%0.435SS..Hα-helixtrans-62.2-50.4173.7-72.6176.6-179.2-176.20111.3L187 K188 R189 V193 K194 H195L187-K191 WeakPolarHBondContact O-CG 3.33Å; L187-K191 PolarHBondContact O-N 2.99Å; K188-K191 PolarHBondContact O-N 3.08Å; R189-K191 VanDerWaalsContact C-N 3.27Å; R189-K191 PolarHBondContact O-N 3.49Å; K191-V193 PolarHBondContact O-N 3.5Å; K191-K194 PolarHBondContact O-N 3.21Å; K191-H195 PolarHBondContact O-N 2.76Å; K191-H195 VanDerWaalsContact O-N 3.09Å; K191-H195 PolarHBondContact O-ND1 3.35Å
192T87.4Confident84.2Confident94 Ų9499.1 Ų99.158%0.57744%0.441SS*.Hα-helixtrans-59.3-44.9-179.9-54.80000112.2K188 R189 K194 H195 S196K188-T192 PolarHBondContact O-N 3.34Å; K188-T192 VanDerWaalsContact O-N 3.08Å; K188-T192 PolarHBondContact O-OG1 2.83Å; K188-T192 VanDerWaalsContact O-OG1 3.12Å; R189-T192 PolarHBondContact O-N 3.35Å; R189-T192 VanDerWaalsContact O-N 3.14Å; T192-K194 PolarHBondContact O-N 2.82Å; T192-H195 PolarHBondContact O-N 2.55Å; T192-S196 PolarHBondContact O-N 2.95Å
193V84.1Confident83.5Confident63 Ų63104.3 Ų104.338%0.38246%0.464SS..Hα-helixtrans-62.7-42.4178.5174.20000111.4R189 K191 S196 R197R189-V193 HydrophobicContact CG-CG2 4.37Å; R189-V193 WeakPolarHBondContact O-CG2 3.35Å; R189-V193 PolarHBondContact O-N 2.9Å; K191-V193 PolarHBondContact O-N 3.5Å; V193-S196 PolarHBondContact O-N 2.96Å; V193-S196 PolarHBondContact O-OG 3.26Å; V193-R197 PolarHBondContact O-N 3.41Å; V193-R197 VanDerWaalsContact O-N 3.17Å
194K81.1Confident82.8Confident139 Ų139108.3 Ų108.360%0.60448%0.483SS*.Hα-helixtrans-62.4-44.9177.5-172.1179.2179-178.30112.2K190 K191 T192 S196 R197 N198K190-K194 WeakPolarHBondContact O-CB 3.39Å; K190-K194 PolarHBondContact O-N 2.84Å; K190-K194 VanDerWaalsContact O-N 3.11Å; K191-K194 PolarHBondContact O-N 3.21Å; T192-K194 PolarHBondContact O-N 2.82Å; K194-S196 VanDerWaalsContact C-N 3.33Å; K194-S196 PolarHBondContact O-N 3.24Å; K194-R197 PolarHBondContact O-N 2.9Å; K194-N198 PolarHBondContact O-N 2.57Å; K194-N198 VanDerWaalsContact O-N 3.1Å
195H77.4Confident82Confident124 Ų124108.8 Ų108.857%0.57448%0.484SS*.Hα-helixtrans-63.1-39.2177.9-72.183.7000111.9K191 T192 R197 N198 R199K191-H195 PolarHBondContact O-N 2.76Å; K191-H195 VanDerWaalsContact O-N 3.09Å; K191-H195 PolarHBondContact O-ND1 3.35Å; T192-H195 PolarHBondContact O-N 2.55Å; H195-R197 VanDerWaalsContact C-N 3.31Å; H195-R197 PolarHBondContact O-N 2.76Å; H195-N198 PolarHBondContact O-N 3.22Å; H195-R199 WeakPolarHBondContact O-CG 3.5Å; H195-R199 PolarHBondContact O-N 2.79Å
196S77.3Confident81Confident60 Ų60114.3 Ų114.342%0.4251%0.507SS..Hα-helixtrans-64.2-33.5176.6760000113.4T192 V193 K194 K200T192-S196 PolarHBondContact O-N 2.95Å; V193-S196 PolarHBondContact O-N 2.96Å; V193-S196 PolarHBondContact O-OG 3.26Å; K194-S196 VanDerWaalsContact C-N 3.33Å; K194-S196 PolarHBondContact O-N 3.24Å; S196-K200 WeakPolarHBondContact O-CG 3.21Å
197R75.4Confident80Confident175 Ų175121.8 Ų121.866%0.6654%0.541SS*.Hα-helixtrans-73.3-39.3177-77.5178.9159.6169.6-4.8112.6V193 K194 H195 R199 K200V193-R197 PolarHBondContact O-N 3.41Å; V193-R197 VanDerWaalsContact O-N 3.17Å; K194-R197 PolarHBondContact O-N 2.9Å; H195-R197 VanDerWaalsContact C-N 3.31Å; H195-R197 PolarHBondContact O-N 2.76Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-K200 PolarHBondContact O-N 3.12Å
198N71.6Confident78.9Confident97 Ų97128.4 Ų128.452%0.51957%0.569SS.*Hα-helixtrans-71.6-26.5-180-74.25.6000113.3K194 H195 K200K194-N198 PolarHBondContact O-N 2.57Å; K194-N198 VanDerWaalsContact O-N 3.1Å; H195-N198 PolarHBondContact O-N 3.22Å; N198-K200 VanDerWaalsContact C-N 3.34Å
199R66.4Low77.7Confident225 Ų225128.5 Ų128.585%0.84957%0.569SS**THydrogen-bonded Turntrans-80.1-13.3175.6-67.9176.387.7169.46.8114H195 R197H195-R199 WeakPolarHBondContact O-CG 3.5Å; H195-R199 PolarHBondContact O-N 2.79Å; R197-R199 VanDerWaalsContact C-N 3.34Å
200K61.3Low76.3Confident189 Ų189133.8 Ų133.882%0.82260%0.596SS**THydrogen-bonded Turntrans-99.5-1179.3-72.4-174.5176.8-171.10113.1S196 R197 N198S196-K200 WeakPolarHBondContact O-CG 3.21Å; R197-K200 PolarHBondContact O-N 3.12Å; N198-K200 VanDerWaalsContact C-N 3.34Å
201R52.4Low74.9Confident274 Ų274140.5 Ų140.5100%1.03463%0.627SS**  trans-106.30173.2-77.1-177.8162.9-170.9-6.7108.3

Retrieved 201 of 201 residues in 94.3 ms (Link to these results)