A0A087XLB4_POEFO Loading...

RNA-binding protein 48

As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A087XLB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 367 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
1M44.3Very low42.8Very low231 Ų231151.7 Ų151.7100%1.13884%0.84SS**  0143.60-58.1178.2-172.400108
2H37.1Very low42.9Very low195 Ų195149.1 Ų149.190%0.90382%0.823SS**  trans173.5111.9147.6-93.6-61.4000107.2
3F37.6Very low43.4Very low201 Ų201149.2 Ų149.288%0.88282%0.822SS**  trans-89.8135.8175.4-75.9-89.3000109.8T5F3-T5 PolarHBondContact O-N 3.16Å
4L43Very low43.6Very low173 Ų173151.3 Ų151.391%0.90681%0.811SS**  trans-81.5110.3172.6-80.9163.8000109.9N6L4-N6 PolarHBondContact O-N 2.71Å
5T45.5Very low44.3Very low114 Ų114149.3 Ų149.370%0.69981%0.813SS**  trans-80.198.7173.435.30000110.7F3 M7F3-T5 PolarHBondContact O-N 3.16Å; T5-M7 PolarHBondContact O-N 2.89Å; T5-M7 VanDerWaalsContact O-N 3.15Å
6N43.2Very low44.8Very low157 Ų157145.2 Ų145.284%0.8479%0.791SS**  trans-63.6113.2168.7-84.2-14.3000110.2L4 A8L4-N6 PolarHBondContact O-N 2.71Å; N6-A8 PolarHBondContact O-N 3.01Å
7M40.6Very low45.2Very low174 Ų174143.4 Ų143.486%0.85779%0.79SS**  trans-76.287.9174.5-72.5-67.8171.500110.4T5 A9T5-M7 PolarHBondContact O-N 2.89Å; T5-M7 VanDerWaalsContact O-N 3.15Å; M7-A9 PolarHBondContact O-N 2.91Å
8A42.1Very low45.5Very low93 Ų93148.4 Ų148.477%0.76980%0.795SS**  trans-67.2124.4168.300000109.9N6N6-A8 PolarHBondContact O-N 3.01Å
9A46Very low46Very low83 Ų83148.8 Ų148.869%0.68678%0.784SS**  trans-65.7137.2173.300000110.2M7 V11M7-A9 PolarHBondContact O-N 2.91Å; A9-V11 PolarHBondContact O-N 3.25Å
10P44.1Very low46.7Very low123 Ų123146.9 Ų146.980%0.79978%0.779SS**  trans-72.7101.7-175.928.2-34.2000111.2N12P10-N12 PolarHBondContact O-N 3.01Å
11V47.8Very low47.5Very low125 Ų125143.4 Ų143.476%0.75876%0.764SS**  trans-72.376.5169.9-175.70000109A9 N13A9-V11 PolarHBondContact O-N 3.25Å; V11-N13 PolarHBondContact O-N 3.14Å
12N43.6Very low48.8Very low120 Ų120139.9 Ų139.964%0.64275%0.745SS**  trans-81.658.5-175.7-164.117.1000111.9P10 R14P10-N12 PolarHBondContact O-N 3.01Å; N12-R14 PolarHBondContact O-N 3.14Å
13N49.8Very low50.9Low151 Ų151132.8 Ų132.881%0.80772%0.716SS**  trans-73.275.2173.4-89.13.9000110.6V11V11-N13 PolarHBondContact O-N 3.14Å
14R45.7Very low53.1Low178 Ų178129.4 Ų129.467%0.67270%0.698SS**  trans-87.5112.5157.6-73.6-170.5172.2-160.8-3.5109N12 D16 R19N12-R14 PolarHBondContact O-N 3.14Å; R14-D16 PolarHBondContact O-N 2.64Å; R14-R19 PolarHBondContact O-NH2 3.35Å
15S53.9Low55.1Low121 Ų121129 Ų12985%0.84669%0.689SS**  trans-78.370.517355.90000110C17S15-C17 PolarHBondContact O-N 3.03Å; S15-C17 VanDerWaalsContact O-N 3.16Å
16D52.2Low57Low84 Ų84125.9 Ų125.945%0.44967%0.666SS.*  trans-67111.9175.3-48.3-61.8000108.6R14 W18 R19R14-D16 PolarHBondContact O-N 2.64Å; D16-W18 PolarHBondContact O-N 3.26Å; D16-R19 WeakPolarHBondContact O-CB 3.4Å; D16-R19 PolarHBondContact O-N 2.76Å; D16-R19 IonicContact OD2-CZ 2.71Å; D16-R19 IonicContact OD2-NE 3.96Å; D16-R19 IonicContact OD2-NH2 3.23Å; D16-R19 PolarHBondContact OD2-NH2 3.44Å
17C51.9Low59.2Low115 Ų115118.6 Ų118.678%0.77763%0.627SS**THydrogen-bonded Turntrans-65.72.6-174.951.50000115.3S15S15-C17 PolarHBondContact O-N 3.03Å; S15-C17 VanDerWaalsContact O-N 3.16Å
18W50.5Low61.5Low233 Ų233115.2 Ų115.288%0.88361%0.609SS**THydrogen-bonded Turntrans-119.211.1177-59.7104.3000113D16 V20D16-W18 PolarHBondContact O-N 3.26Å; W18-V20 PolarHBondContact O-N 2.98Å; W18-V20 VanDerWaalsContact O-N 3.14Å
19R56.1Low63.7Low156 Ų156116.7 Ų116.759%0.58960%0.6SS**  trans-71.5108.3177-170.2175.7-62.3-156.24.5109.6R14 D16R14-R19 PolarHBondContact O-NH2 3.35Å; D16-R19 WeakPolarHBondContact O-CB 3.4Å; D16-R19 PolarHBondContact O-N 2.76Å; D16-R19 IonicContact OD2-CZ 2.71Å; D16-R19 IonicContact OD2-NE 3.96Å; D16-R19 IonicContact OD2-NH2 3.23Å; D16-R19 PolarHBondContact OD2-NH2 3.44Å
20V59.3Low65.8Low111 Ų111117.1 Ų117.167%0.67359%0.588SS**  trans-48.5129.1172.51800000109.2W18 E22W18-V20 PolarHBondContact O-N 2.98Å; W18-V20 VanDerWaalsContact O-N 3.14Å; V20-E22 PolarHBondContact O-N 2.92Å
21P63.4Low68Low74 Ų74122.6 Ų122.648%0.48159%0.592SS.*  trans-53.2121.6-179.6-31.338.9000111.7V23 E92P21-V23 PolarHBondContact O-N 3.02Å; P21-E92 WeakPolarHBondContact CG-O 3.42Å
22E71.8Confident70Confident156 Ų156120.1 Ų120.173%0.72958%0.578SS**  trans-70.4105-173.2-169.2175.3163.600110V20 Y24V20-E22 PolarHBondContact O-N 2.92Å; E22-Y24 PolarHBondContact O-N 3.18Å
23V80.3Confident72Confident47 Ų47116.1 Ų116.129%0.28556%0.559SS.*  trans-56.5110.5175.3165.40000109.4P21 K25 E28 Y93 P94P21-V23 PolarHBondContact O-N 3.02Å; V23-K25 PolarHBondContact O-N 3Å; V23-E28 HydrophobicContact CG1-CG 3.82Å; V23-Y93 WeakPolarHBondContact CG1-OH 3.47Å; V23-Y93 HydrophobicContact CG2-CE1 4.19Å; V23-P94 HydrophobicContact CG2-CG 3.43Å; V23-P94 VanDerWaalsContact CG2-CG 3.43Å
24Y84.4Confident73.8Confident130 Ų130116.3 Ų116.351%0.5156%0.558SS.*  trans-59.7125.9174.5-65.9-89.2000109.4E22 H26 H27 E136E22-Y24 PolarHBondContact O-N 3.18Å; Y24-H26 PolarHBondContact O-N 3.03Å; Y24-H27 AromaticContact CD2-CE1 3.51Å; Y24-H27 AromaticContact CD2-ND1 3.96Å; Y24-H27 WeakPolarHBondContact O-CB 3.29Å; Y24-H27 PolarHBondContact O-N 2.9Å; Y24-E136 HydrophobicContact CE1-CG 4.29Å; Y24-E136 HydrophobicContact CE2-CG 4.13Å
25K85.6Confident75.8Confident165 Ų165113.2 Ų113.272%0.71756%0.564SS**THydrogen-bonded Turntrans-56.4-8.7-177.9-62.6172.7-177.5169.90115.4V23V23-K25 PolarHBondContact O-N 3Å
26H85.4Confident77.4Confident48 Ų48111.5 Ų111.522%0.22254%0.538CS..THydrogen-bonded Turntrans-99.7-10.6176.186.3-86000113.2Y24 K49 Y133 E136Y24-H26 PolarHBondContact O-N 3.03Å; H26-K49 PolarHBondContact O-NZ 3.24Å; H26-Y133 PolarHBondContact NE2-O 3.17Å; H26-E136 IonicContact CE1-OE1 3.93Å; H26-E136 PolarHBondContact CE1-OE1 3.47Å; H26-E136 IonicContact CE1-OE2 3.51Å; H26-E136 IonicContact NE2-OE1 3Å; H26-E136 IonicContact NE2-OE2 2.73Å
27H89.3Confident79.2Confident3 Ų3110.5 Ų110.51%0.01454%0.537CS..THydrogen-bonded Turntrans-76.2-37.3166-60.6165.9000111.1Y24 M61 Y93 H130 V134 E136Y24-H27 AromaticContact CD2-CE1 3.51Å; Y24-H27 AromaticContact CD2-ND1 3.96Å; Y24-H27 WeakPolarHBondContact O-CB 3.29Å; Y24-H27 PolarHBondContact O-N 2.9Å; H27-M61 HydrophobicContact CB-CE 3.74Å; H27-M61 WeakPolarHBondContact ND1-CE 3.35Å; H27-Y93 WeakPolarHBondContact CB-OH 3.28Å; H27-Y93 AromaticContact ND1-CE2 3.47Å; H27-Y93 WeakPolarHBondContact ND1-CE2 3.08Å; H27-Y93 AromaticContact ND1-CZ 3.55Å; H27-Y93 PolarHBondContact ND1-OH 3.43Å; H27-H130 PolarHBondContact O-NE2 2.72Å; H27-V134 WeakPolarHBondContact NE2-CG1 3.03Å; H27-E136 IonicContact NE2-OE2 2.96Å
28E88.5Confident81Confident103 Ų103113.5 Ų113.548%0.48154%0.537SS..SBendtrans-51.4144.1179.9-63.1178.5-178.800113.8V23 Q30V23-E28 HydrophobicContact CG1-CG 3.82Å; E28-Q30 PolarHBondContact O-N 3.46Å
29Q88.8Confident83Confident125 Ų125110.9 Ų110.958%0.58453%0.528SS*.  trans-77.4112.2172.9-167.6177.183.900110.6H130Q29-H130 PolarHBondContact NE2-ND1 3.16Å
30Q89.4Confident84.5Confident92 Ų92111.4 Ų111.443%0.4353%0.53SS..PPolyproline II helixtrans-73137.8-178.9-70.2-178.6-28.100112E28 A47E28-Q30 PolarHBondContact O-N 3.46Å; Q30-A47 HydrophobicContact CB-CB 3.75Å
31R90.1Very high85.7Confident237 Ų237111.4 Ų111.489%0.89452%0.523SS*.PPolyproline II helixtrans-59.6145.5175.6-64.1-175.7-179.1-173.2-0.1111.7C33R31-C33 PolarHBondContact O-N 2.8Å
32V89.8Confident86.8Confident74 Ų74110.5 Ų110.545%0.44853%0.526SS..PPolyproline II helixtrans-55132.6178.3171.40000111.6I34 A45V32-I34 PolarHBondContact O-N 3.16Å; V32-I34 VanDerWaalsContact O-N 3.12Å; V32-A45 HydrophobicContact CG1-CB 3.68Å
33C85.8Confident87.6Confident36 Ų36115.8 Ų115.824%0.24354%0.539CS..  trans-79.697.7178.4-64.50000111.6R31 S35 R36 V48R31-C33 PolarHBondContact O-N 2.8Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-R36 HydrophobicContact CB-CG 4.42Å; C33-V48 HydrophobicContact CB-CG2 4.11Å; C33-V48 PolarHBondContact SG-N 2.95Å
34I87.6Confident87.9Confident155 Ų155120 Ų12080%0.79555%0.554SS**THydrogen-bonded Turntrans-71.6-22.8176.7-55.6171000111.9V32 R36V32-I34 PolarHBondContact O-N 3.16Å; V32-I34 VanDerWaalsContact O-N 3.12Å; I34-R36 PolarHBondContact O-N 2.7Å
35S88.9Confident88.1Confident112 Ų112117.2 Ų117.278%0.78356%0.558SS**THydrogen-bonded Turntrans-73.59.9-177.354.50000115.8C33C33-S35 VanDerWaalsContact C-N 3.29Å
36R86.1Confident88.2Confident85 Ų85112.6 Ų112.632%0.32154%0.538SS..SBendtrans-75.8136178.6-66.2178.1-172.7-106.26.9110.2C33 I34 E41 K46 A47C33-R36 HydrophobicContact CB-CG 4.42Å; I34-R36 PolarHBondContact O-N 2.7Å; R36-E41 HydrophobicContact CB-CG 4.29Å; R36-K46 PolarHBondContact NE-O 2.77Å; R36-K46 PolarHBondContact NH2-O 2.88Å; R36-A47 PolarHBondContact NH2-O 3.37Å
37P90Very high88.4Confident64 Ų64111.7 Ų111.742%0.41654%0.539SS..  trans-64.7143168.3-21.733.4000111.5Y39 R40 E41P37-Y39 HydrophobicContact CB-CD1 3.73Å; P37-Y39 HydrophobicContact CB-CE1 3.46Å; P37-Y39 VanDerWaalsContact CB-CE1 3.46Å; P37-Y39 HydrophobicContact CG-CE1 4.18Å; P37-Y39 PolarHBondContact O-N 3.41Å; P37-R40 CarbonylContact O-C 3.58Å; P37-R40 WeakPolarHBondContact O-CA 3.35Å; P37-R40 PolarHBondContact O-N 3.43Å; P37-E41 PolarHBondContact O-N 2.93Å
38K90.4Very high88.3Confident177 Ų177115.6 Ų115.677%0.7756%0.563SS**G310 helixtrans-53.1-31.2-175.8-167.1170.4-175.5174.40116.1R40 E41K38-R40 PolarHBondContact O-N 3.01Å; K38-E41 VanDerWaalsContact CA-OE1 3.26Å; K38-E41 WeakPolarHBondContact CA-OE1 3.25Å; K38-E41 PolarHBondContact O-N 3.22Å
39Y92.3Very high88.4Confident179 Ų179113.5 Ų113.570%0.70255%0.552SS**G310 helixtrans-77.3-617676.4-88.8000114.2P37P37-Y39 HydrophobicContact CB-CD1 3.73Å; P37-Y39 HydrophobicContact CB-CE1 3.46Å; P37-Y39 VanDerWaalsContact CB-CE1 3.46Å; P37-Y39 HydrophobicContact CG-CE1 4.18Å; P37-Y39 PolarHBondContact O-N 3.41Å
40R86.6Confident88.4Confident167 Ų167112.9 Ų112.963%0.6356%0.557SS**G310 helixtrans-118.87.8173.6-56.9-168.8-178.7-158.4-2.9112.9P37 K38P37-R40 CarbonylContact O-C 3.58Å; P37-R40 WeakPolarHBondContact O-CA 3.35Å; P37-R40 PolarHBondContact O-N 3.43Å; K38-R40 PolarHBondContact O-N 3.01Å
41E86.2Confident88.5Confident111 Ų111111.7 Ų111.752%0.51955%0.549SS..  trans-69.9132.9171.3-76.3168.2-151.300109.8R36 P37 K38R36-E41 HydrophobicContact CB-CG 4.29Å; P37-E41 PolarHBondContact O-N 2.93Å; K38-E41 VanDerWaalsContact CA-OE1 3.26Å; K38-E41 WeakPolarHBondContact CA-OE1 3.25Å; K38-E41 PolarHBondContact O-N 3.22Å
42G85.6Confident88.6Confident54 Ų54103.9 Ų103.956%0.55753%0.528SS*.  trans-89.2160.3174.700000111.5K44G42-K44 PolarHBondContact O-N 2.91Å; G42-K44 VanDerWaalsContact O-N 3.12Å
43R88.2Confident88.6Confident267 Ų267102.6 Ų102.6100%1.00852%0.518SS*.SBendtrans-59.4-21.6175.1-64.7-173.8-177.5-172.91.1114.1
44K87.4Confident88.8Confident135 Ų135106.3 Ų106.359%0.58754%0.535SS*.SBendtrans-114.2131.6168.8-71.2-167.6170.5-162.90108.3G42 K46G42-K44 PolarHBondContact O-N 2.91Å; G42-K44 VanDerWaalsContact O-N 3.12Å; K44-K46 HydrophobicContact CB-CG 4.42Å; K44-K46 PolarHBondContact O-N 2.55Å
45A88Confident89Confident73 Ų73102.5 Ų102.560%0.60352%0.516SS*.  trans-75.5116.1175.100000109.1V32V32-A45 HydrophobicContact CG1-CB 3.68Å
46K87.9Confident89.2Confident68 Ų6897.7 Ų97.730%0.29648%0.481SS..  trans-134.3149-173.4-77.1-174.6167.3-78.50112.1R36 K44 E121R36-K46 PolarHBondContact NE-O 2.77Å; R36-K46 PolarHBondContact NH2-O 2.88Å; K44-K46 HydrophobicContact CB-CG 4.42Å; K44-K46 PolarHBondContact O-N 2.55Å; K46-E121 VanDerWaalsContact CE-OE2 3.23Å; K46-E121 WeakPolarHBondContact CE-OE2 3.3Å; K46-E121 IonicContact NZ-OE1 2.68Å; K46-E121 PolarHBondContact NZ-OE1 2.87Å; K46-E121 IonicContact NZ-OE2 3.59Å; K46-E121 PolarHBondContact NZ-OE2 2.91Å
47A89.5Confident89.6Confident29 Ų2993.7 Ų93.724%0.2447%0.466CS..  trans-59.5165.816800000112.3Q30 R36Q30-A47 HydrophobicContact CB-CB 3.75Å; R36-A47 PolarHBondContact NH2-O 3.37Å
48V87.3Confident89.8Confident85 Ų8591.6 Ų91.652%0.51545%0.45SS..  trans-105.5105.2170.3176.20000107.7C33C33-V48 HydrophobicContact CB-CG2 4.11Å; C33-V48 PolarHBondContact SG-N 2.95Å
49K89.6Confident90.1Very high58 Ų5883.9 Ų83.925%0.25242%0.416SS..  trans-124.2128.2176.3-164.8159.7171.9-179.30108.9H26 Y51H26-K49 PolarHBondContact O-NZ 3.24Å; K49-Y51 HydrophobicContact CB-CE2 4.3Å; K49-Y51 HydrophobicContact CD-CE1 4.3Å; K49-Y51 VanDerWaalsContact CD-OH 3.27Å; K49-Y51 WeakPolarHBondContact CD-OH 3.45Å; K49-Y51 WeakPolarHBondContact CE-OH 3.46Å; K49-Y51 HydrophobicContact CG-CE1 4.19Å; K49-Y51 HydrophobicContact CG-CE2 4.12Å
50V89.8Confident90.2Very high113 Ų11375.4 Ų75.469%0.68538%0.383SS*.  trans-104.1125.5-178.91790000108.3
51Y91.2Very high90.6Very high67 Ų6767.5 Ų67.526%0.26335%0.353SS..  trans-106.5123.1173.2-57.9-80.5000108.8K49 L55 K116 Y133K49-Y51 HydrophobicContact CB-CE2 4.3Å; K49-Y51 HydrophobicContact CD-CE1 4.3Å; K49-Y51 VanDerWaalsContact CD-OH 3.27Å; K49-Y51 WeakPolarHBondContact CD-OH 3.45Å; K49-Y51 WeakPolarHBondContact CE-OH 3.46Å; K49-Y51 HydrophobicContact CG-CE1 4.19Å; K49-Y51 HydrophobicContact CG-CE2 4.12Å; Y51-L55 HydrophobicContact CD1-CB 4.46Å; Y51-K116 VanDerWaalsContact OH-CE 3.29Å; Y51-K116 WeakPolarHBondContact OH-CE 3.26Å; Y51-Y133 AromaticContact CD1-CD2 3.52Å; Y51-Y133 HydrophobicContact CD1-CD2 3.52Å; Y51-Y133 AromaticContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD2-CE2 4.35Å; Y51-Y133 AromaticContact CE1-CD2 3.53Å; Y51-Y133 HydrophobicContact CE1-CD2 3.53Å; Y51-Y133 AromaticContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE2-CE2 4.5Å; Y51-Y133 HydrophobicContact CG-CD2 4.19Å; Y51-Y133 HydrophobicContact CG-CE2 4.01Å
52T91.9Very high91.1Very high73 Ų7362.3 Ų62.345%0.44833%0.329SS..  trans-86.3169.3165.4660000109N54 L55 E56T52-N54 PolarHBondContact O-N 2.96Å; T52-N54 VanDerWaalsContact O-N 3.13Å; T52-L55 HydrophobicContact CG2-CD1 4.39Å; T52-L55 PolarHBondContact O-N 3.31Å; T52-L55 WeakPolarHBondContact OG1-CG 3.49Å; T52-L55 PolarHBondContact OG1-N 3.31Å; T52-E56 PolarHBondContact O-N 2.8Å; T52-E56 VanDerWaalsContact O-N 3.1Å
53I89.9Confident91.5Very high47 Ų4761.5 Ų61.524%0.24131%0.31CS..THydrogen-bonded Turntrans-52.5-37.7176.2-62.1145.5000110.9K146 L147 R150I53-K146 WeakPolarHBondContact O-CE 3.12Å; I53-K146 PolarHBondContact O-NZ 3.44Å; I53-L147 HydrophobicContact CG2-CD2 4.17Å; I53-R150 HydrophobicContact CD1-CG 3.76Å; I53-R150 HydrophobicContact CG1-CG 4.06Å; I53-R150 HydrophobicContact CG2-CB 4.5Å; I53-R150 HydrophobicContact CG2-CG 4.35Å
54N91.3Very high91.7Very high113 Ų11349.4 Ų49.460%0.60427%0.269SS*.THydrogen-bonded Turntrans-72.2-34-178.2-59.917.6000112.4T52 K146T52-N54 PolarHBondContact O-N 2.96Å; T52-N54 VanDerWaalsContact O-N 3.13Å; N54-K146 PolarHBondContact O-NZ 3.12Å
55L91.8Very high92Very high76 Ų7643 Ų4340%0.39824%0.241SC..THydrogen-bonded Turntrans-85.8-13.6-177.6-65.1172.4000114.3Y51 T52 Y133Y51-L55 HydrophobicContact CD1-CB 4.46Å; T52-L55 HydrophobicContact CG2-CD1 4.39Å; T52-L55 PolarHBondContact O-N 3.31Å; T52-L55 WeakPolarHBondContact OG1-CG 3.49Å; T52-L55 PolarHBondContact OG1-N 3.31Å; L55-Y133 VanDerWaalsContact O-CB 3.26Å; L55-Y133 WeakPolarHBondContact O-CB 3.19Å
56E92.5Very high92.3Very high11 Ų1140.2 Ų40.25%0.05122%0.217CC..  trans-81.4147.7162.9-60.5-178.3129.800108.8T52 L109 R113 Y133 K146T52-E56 PolarHBondContact O-N 2.8Å; T52-E56 VanDerWaalsContact O-N 3.1Å; E56-L109 HydrophobicContact CB-CD1 4.33Å; E56-R113 VanDerWaalsContact CD-NE 3.27Å; E56-R113 IonicContact OE1-CZ 3.51Å; E56-R113 IonicContact OE1-NE 2.65Å; E56-R113 PolarHBondContact OE1-NE 3.5Å; E56-R113 IonicContact OE1-NH2 3.73Å; E56-R113 IonicContact OE2-CZ 3.9Å; E56-R113 VanDerWaalsContact OE2-CZ 3.25Å; E56-R113 IonicContact OE2-NE 3.33Å; E56-R113 PolarHBondContact OE2-NE 2.93Å; E56-R113 IonicContact OE2-NH2 3.79Å; E56-R113 PolarHBondContact OE2-NH2 3.48Å; E56-Y133 HydrophobicContact CB-CD2 4.5Å; E56-Y133 HydrophobicContact CB-CE1 4.36Å; E56-Y133 HydrophobicContact CB-CE2 4.25Å; E56-Y133 HydrophobicContact CG-CE2 3.97Å; E56-K146 WeakPolarHBondContact O-CE 3.48Å; E56-K146 PolarHBondContact O-NZ 3.29Å
57S94.4Very high92.4Very high0 Ų039.5 Ų39.50%022%0.224CC..  trans-141.6159.3178.952.70000113.3Y59 L109 A112 Y133 V134 E138S57-Y59 PolarHBondContact OG-O 2.76Å; S57-L109 VanDerWaalsContact C-CD1 3.44Å; S57-A112 WeakPolarHBondContact O-CB 3.46Å; S57-Y133 WeakPolarHBondContact OG-CA 3.29Å; S57-Y133 VanDerWaalsContact OG-CB 3.31Å; S57-Y133 WeakPolarHBondContact OG-CB 3.46Å; S57-V134 PolarHBondContact OG-N 3.49Å; S57-E138 WeakPolarHBondContact CA-OE1 3.26Å; S57-E138 WeakPolarHBondContact CB-OE1 3.41Å
58R94Very high92.5Very high20 Ų2044.2 Ų44.28%0.07524%0.244CC..SBendtrans-66.7-28.3168.4-71.1-175.459.6-167.4-6.4112.8E85 F106 Q107 E138 D142R58-E85 IonicContact CZ-OE2 3.25Å; R58-E85 IonicContact NH1-OE2 2.67Å; R58-E85 IonicContact NH2-OE2 3.84Å; R58-E85 PolarHBondContact NH2-OE2 3.25Å; R58-F106 PolarHBondContact NE-O 2.85Å; R58-F106 PolarHBondContact NH2-O 2.79Å; R58-F106 PolarHBondContact O-N 2.96Å; R58-Q107 VanDerWaalsContact NH2-CA 3.29Å; R58-Q107 PolarHBondContact NH2-O 2.92Å; R58-E138 PolarHBondContact N-OE1 3.39Å; R58-D142 VanDerWaalsContact CD-OD1 3.3Å; R58-D142 WeakPolarHBondContact CD-OD1 3.36Å; R58-D142 IonicContact CZ-OD1 2.68Å; R58-D142 IonicContact NE-OD1 2.69Å; R58-D142 IonicContact NH1-OD1 3.13Å; R58-D142 PolarHBondContact NH1-OD1 3Å
59Y95.8Very high92.6Very high16 Ų1642.1 Ų42.16%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-87.4134.9176.5-62.7-105.2000109.7S57 L103 V104 K105 Y137 E138S57-Y59 PolarHBondContact OG-O 2.76Å; Y59-L103 HydrophobicContact CD1-CD1 4.34Å; Y59-L103 HydrophobicContact CD1-CD2 4.31Å; Y59-L103 HydrophobicContact CD1-CG 4.33Å; Y59-V104 CarbonylContact C-O 3.52Å; Y59-V104 WeakPolarHBondContact CA-O 3.32Å; Y59-K105 HydrophobicContact CD1-CB 3.94Å; Y59-K105 HydrophobicContact CD1-CG 4.06Å; Y59-K105 HydrophobicContact CD2-CG 4.41Å; Y59-K105 HydrophobicContact CE1-CB 3.93Å; Y59-K105 HydrophobicContact CE1-CD 3.74Å; Y59-K105 HydrophobicContact CE1-CG 3.76Å; Y59-K105 HydrophobicContact CE2-CD 4.27Å; Y59-K105 HydrophobicContact CE2-CG 4.09Å; Y59-K105 HydrophobicContact CG-CG 4.39Å; Y59-K105 WeakPolarHBondContact OH-CE 3.39Å; Y59-K105 PolarHBondContact OH-NZ 3Å; Y59-Y137 WeakPolarHBondContact CE2-O 3.22Å; Y59-Y137 VanDerWaalsContact CZ-O 3.23Å; Y59-E138 HydrophobicContact CD2-CG 3.73Å; Y59-E138 HydrophobicContact CE2-CG 4.09Å
60L95.7Very high92.7Very high1 Ų139.8 Ų39.81%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-118.7142.4169.2-60.9-176000109.4L103 V104 F106 A112 A115 K116 V131 C132 Y133L60-L103 WeakPolarHBondContact O-CA 3.43Å; L60-V104 PolarHBondContact N-O 3.44Å; L60-V104 PolarHBondContact O-N 3.02Å; L60-F106 HydrophobicContact CD1-CD2 4.29Å; L60-F106 HydrophobicContact CD1-CE2 3.75Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.22Å; L60-A112 HydrophobicContact CD2-CB 4.3Å; L60-A112 HydrophobicContact CG-CB 4.28Å; L60-A115 HydrophobicContact CD1-CB 3.85Å; L60-K116 HydrophobicContact CD1-CB 4.01Å; L60-K116 HydrophobicContact CD2-CB 3.95Å; L60-K116 HydrophobicContact CD2-CG 4.18Å; L60-V131 HydrophobicContact CB-CG1 4.18Å; L60-V131 HydrophobicContact CD1-CG1 3.92Å; L60-V131 HydrophobicContact CG-CG1 4.46Å; L60-C132 WeakPolarHBondContact CA-O 3.34Å; L60-Y133 HydrophobicContact CD2-CD1 3.36Å; L60-Y133 HydrophobicContact CD2-CE1 3.56Å; L60-Y133 HydrophobicContact CD2-CG 4.3Å
61M95Very high92.9Very high1 Ų137.7 Ų37.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-104.6127.1165.1174.6170.861.700108.8H27 Q63 L90 Y93 V101 Y102 V131 C132 V134H27-M61 HydrophobicContact CB-CE 3.74Å; H27-M61 WeakPolarHBondContact ND1-CE 3.35Å; M61-Q63 VanDerWaalsContact CE-NE2 3.34Å; M61-Q63 HydrophobicContact CG-CG 4.21Å; M61-L90 HydrophobicContact SD-CD2 4.13Å; M61-Y93 HydrophobicContact CE-CD2 4.43Å; M61-Y93 HydrophobicContact CE-CE1 4.33Å; M61-Y93 HydrophobicContact CE-CE2 3.89Å; M61-Y93 HydrophobicContact SD-CD1 4.33Å; M61-Y93 HydrophobicContact SD-CD2 3.95Å; M61-Y93 HydrophobicContact SD-CE1 4.42Å; M61-Y93 HydrophobicContact SD-CE2 4.03Å; M61-Y93 HydrophobicContact SD-CG 4.11Å; M61-V101 HydrophobicContact CG-CG1 3.45Å; M61-V101 VanDerWaalsContact CG-CG1 3.45Å; M61-V101 HydrophobicContact SD-CG1 3.42Å; M61-V101 WeakPolarHBondContact SD-CG1 3.41Å; M61-Y102 CarbonylContact C-O 3.6Å; M61-Y102 WeakPolarHBondContact CA-O 3.48Å; M61-V131 WeakPolarHBondContact O-CA 3.31Å; M61-C132 WeakPolarHBondContact CE-SG 3.48Å; M61-C132 PolarHBondContact N-O 2.94Å; M61-C132 PolarHBondContact O-N 3.29Å; M61-V134 HydrophobicContact CB-CG2 3.52Å
62V95.5Very high93Very high1 Ų138.4 Ų38.41%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-106.9121.8176.6-174.30000108V65 L74 V101 Y102 M119 L129 V131V62-V65 HydrophobicContact CB-CG2 4.3Å; V62-V65 HydrophobicContact CG1-CG2 3.63Å; V62-L74 HydrophobicContact CG1-CD1 4.24Å; V62-L74 HydrophobicContact CG1-CD2 4.49Å; V62-V101 WeakPolarHBondContact O-CA 3.36Å; V62-Y102 PolarHBondContact N-O 2.86Å; V62-Y102 PolarHBondContact O-N 3.03Å; V62-M119 HydrophobicContact CG2-CE 4.16Å; V62-L129 HydrophobicContact CG1-CB 4.35Å; V62-L129 HydrophobicContact CG1-CD1 4.29Å; V62-L129 HydrophobicContact CG1-CD2 3.88Å; V62-L129 HydrophobicContact CG1-CG 4.4Å; V62-V131 HydrophobicContact CG1-CG2 4.24Å; V62-V131 HydrophobicContact CG2-CG1 4.37Å; V62-V131 HydrophobicContact CG2-CG2 4.23Å
63Q94.2Very high93.2Very high37 Ų3738.2 Ų38.217%0.17322%0.219CC..EExtended strand (participates in β ladder)trans-111.8154.9175.8-62.7178.6-15.400109.8M61 V101 H130M61-Q63 VanDerWaalsContact CE-NE2 3.34Å; M61-Q63 HydrophobicContact CG-CG 4.21Å; Q63-V101 HydrophobicContact CG-CG1 4.06Å; Q63-V101 HydrophobicContact CG-CG2 4.09Å; Q63-H130 HydrophobicContact CB-CB 4.49Å; Q63-H130 PolarHBondContact N-O 2.96Å; Q63-H130 PolarHBondContact O-N 2.89Å; Q63-H130 PolarHBondContact OE1-CD2 3.02Å
64G92.6Very high93.4Very high14 Ų1436 Ų3614%0.14421%0.207CC..EExtended strand (participates in β ladder)trans79.928.2-178.300000113.8
65V94.1Very high93.6Very high0 Ų031.9 Ų31.90%019%0.185CC..EExtended strand (participates in β ladder)trans-85120.1172.8-175.70000107.7V62 V70 L74 T99 E100 Y102 F124 L129V62-V65 HydrophobicContact CB-CG2 4.3Å; V62-V65 HydrophobicContact CG1-CG2 3.63Å; V65-V70 HydrophobicContact CG1-CG2 3.93Å; V65-L74 HydrophobicContact CG1-CD2 4.19Å; V65-L74 HydrophobicContact CG2-CD2 3.8Å; V65-T99 CarbonylContact O-C 3.57Å; V65-T99 VanDerWaalsContact O-CA 3.25Å; V65-T99 WeakPolarHBondContact O-CA 3.38Å; V65-E100 PolarHBondContact N-O 3.11Å; V65-E100 PolarHBondContact O-N 3.23Å; V65-Y102 HydrophobicContact CB-CD2 3.91Å; V65-Y102 HydrophobicContact CB-CE2 4.06Å; V65-Y102 HydrophobicContact CG1-CD2 3.91Å; V65-Y102 HydrophobicContact CG1-CE2 3.71Å; V65-Y102 HydrophobicContact CG2-CD2 3.84Å; V65-Y102 HydrophobicContact CG2-CE2 4.46Å; V65-F124 HydrophobicContact CG1-CE1 4.11Å; V65-L129 HydrophobicContact CG2-CD2 3.94Å
66P94.3Very high93.7Very high15 Ų1534.6 Ų34.610%0.09720%0.196CC..EExtended strand (participates in β ladder)trans-64.4140.2-178.3-26.137.2000112.8I68 V70P66-I68 HydrophobicContact CB-CD1 3.8Å; P66-I68 HydrophobicContact CB-CG1 3.95Å; P66-I68 PolarHBondContact O-N 3.33Å; P66-V70 WeakPolarHBondContact O-CG2 3.42Å
67A90.9Very high93.8Very high52 Ų5235 Ų3543%0.4320%0.199SC..THydrogen-bonded Turntrans-73.841.8-179.200000114F98 E100A67-F98 WeakPolarHBondContact CB-O 3.47Å; A67-F98 PolarHBondContact N-O 3.27Å; A67-E100 WeakPolarHBondContact CA-OE1 3.46Å; A67-E100 HydrophobicContact CB-CG 3.96Å; A67-E100 WeakPolarHBondContact CB-OE1 3.29Å
68I90Very high93.8Very high129 Ų12935.1 Ų35.166%0.66220%0.199SC*.THydrogen-bonded Turntrans-101.55-177-51.6172.6000109.9P66 V70P66-I68 HydrophobicContact CB-CD1 3.8Å; P66-I68 HydrophobicContact CB-CG1 3.95Å; P66-I68 PolarHBondContact O-N 3.33Å; I68-V70 HydrophobicContact CB-CG1 4.21Å
69G89.8Confident93.8Very high41 Ų4136.7 Ų36.742%0.42322%0.216SC..THydrogen-bonded Turntrans81.814-177.800000114.9M71G69-M71 PolarHBondContact O-N 2.62Å
70V92.5Very high93.7Very high9 Ų941.3 Ų41.36%0.05524%0.241CC..THydrogen-bonded Turntrans-69.821.3-176.4-62.60000114.8V65 P66 I68 T72 E73 L74 F124 Y125V65-V70 HydrophobicContact CG1-CG2 3.93Å; P66-V70 WeakPolarHBondContact O-CG2 3.42Å; I68-V70 HydrophobicContact CB-CG1 4.21Å; V70-T72 VanDerWaalsContact C-N 3.34Å; V70-T72 PolarHBondContact O-N 3.33Å; V70-E73 WeakPolarHBondContact CB-OE2 3.42Å; V70-E73 VanDerWaalsContact CG1-OE2 3.29Å; V70-E73 WeakPolarHBondContact CG1-OE2 3.43Å; V70-E73 PolarHBondContact O-N 2.92Å; V70-L74 PolarHBondContact O-N 3.13Å; V70-L74 VanDerWaalsContact O-N 3.09Å; V70-F124 HydrophobicContact CB-CE1 4.16Å; V70-F124 HydrophobicContact CB-CZ 4.2Å; V70-F124 HydrophobicContact CG2-CE1 3.57Å; V70-F124 HydrophobicContact CG2-CZ 4.1Å; V70-Y125 HydrophobicContact CB-CD2 4.34Å; V70-Y125 HydrophobicContact CG1-CD1 4.16Å; V70-Y125 HydrophobicContact CG1-CD2 4.15Å; V70-Y125 HydrophobicContact CG1-CE1 4.39Å; V70-Y125 HydrophobicContact CG1-CE2 4.4Å; V70-Y125 HydrophobicContact CG1-CG 4.07Å
71M92.8Very high93.6Very high69 Ų6943.6 Ų43.634%0.3425%0.251SS..Hα-helixtrans-61.7-38.9-177.672.9177.672.300112.6G69 E73 L74 I75 Y102G69-M71 PolarHBondContact O-N 2.62Å; M71-E73 PolarHBondContact O-N 3Å; M71-L74 WeakPolarHBondContact O-CB 3.34Å; M71-L74 PolarHBondContact O-N 3.33Å; M71-I75 WeakPolarHBondContact O-CG1 3.34Å; M71-I75 PolarHBondContact O-N 2.92Å; M71-Y102 HydrophobicContact CB-CE1 3.72Å; M71-Y102 WeakPolarHBondContact CB-OH 3.34Å
72T94.5Very high93.5Very high82 Ų8243.7 Ų43.750%0.50325%0.252SS..Hα-helixtrans-67-40.5-176.851.30000110.9V70 I75 Q76V70-T72 VanDerWaalsContact C-N 3.34Å; V70-T72 PolarHBondContact O-N 3.33Å; T72-I75 PolarHBondContact O-N 3.14Å; T72-Q76 VanDerWaalsContact O-CG 3.29Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 3.42Å
73E95.1Very high93.4Very high68 Ų6846.5 Ų46.532%0.31827%0.271SS..Hα-helixtrans-69.3-37.1176.9-58.5172.5124.300111.3V70 M71 Q76 L77 F124 Y125V70-E73 WeakPolarHBondContact CB-OE2 3.42Å; V70-E73 VanDerWaalsContact CG1-OE2 3.29Å; V70-E73 WeakPolarHBondContact CG1-OE2 3.43Å; V70-E73 PolarHBondContact O-N 2.92Å; M71-E73 PolarHBondContact O-N 3Å; E73-Q76 PolarHBondContact O-N 3.25Å; E73-L77 WeakPolarHBondContact O-CB 3.47Å; E73-L77 PolarHBondContact O-N 2.86Å; E73-F124 HydrophobicContact CB-CZ 4.4Å; E73-Y125 HydrophobicContact CB-CE2 4.49Å; E73-Y125 PolarHBondContact OE1-OH 3Å; E73-Y125 WeakPolarHBondContact OE2-CE2 3.48Å; E73-Y125 PolarHBondContact OE2-OH 2.98Å
74L94.7Very high93.5Very high0 Ų046.6 Ų46.60%027%0.274CS..Hα-helixtrans-61.2-44.317117964000111.6V62 V65 V70 M71 L77 C78 Y102 M119 F124 L129V62-L74 HydrophobicContact CG1-CD1 4.24Å; V62-L74 HydrophobicContact CG1-CD2 4.49Å; V65-L74 HydrophobicContact CG1-CD2 4.19Å; V65-L74 HydrophobicContact CG2-CD2 3.8Å; V70-L74 PolarHBondContact O-N 3.13Å; V70-L74 VanDerWaalsContact O-N 3.09Å; M71-L74 WeakPolarHBondContact O-CB 3.34Å; M71-L74 PolarHBondContact O-N 3.33Å; L74-L77 PolarHBondContact O-N 2.94Å; L74-C78 PolarHBondContact O-N 3.44Å; L74-C78 PolarHBondContact O-SG 3.33Å; L74-C78 VanDerWaalsContact O-SG 3.38Å; L74-Y102 HydrophobicContact CD2-CD1 4.45Å; L74-Y102 HydrophobicContact CD2-CD2 4.03Å; L74-Y102 HydrophobicContact CD2-CG 3.88Å; L74-M119 HydrophobicContact CD1-CE 3.72Å; L74-F124 HydrophobicContact CB-CZ 4.01Å; L74-L129 HydrophobicContact CD1-CD1 4.18Å
75I94.9Very high93.6Very high28 Ų2850.7 Ų50.714%0.14429%0.29CS..Hα-helixtrans-70.6-37.5178.5-62.3-54000112.1M71 T72 L77 C78 A79 Y87 V104M71-I75 WeakPolarHBondContact O-CG1 3.34Å; M71-I75 PolarHBondContact O-N 2.92Å; T72-I75 PolarHBondContact O-N 3.14Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.64Å; I75-C78 WeakPolarHBondContact O-CB 3.11Å; I75-C78 PolarHBondContact O-N 2.82Å; I75-A79 WeakPolarHBondContact O-CB 3.49Å; I75-A79 PolarHBondContact O-N 3.32Å; I75-Y87 VanDerWaalsContact CD1-CB 3.49Å; I75-Y87 HydrophobicContact CD1-CD1 3.99Å; I75-Y87 HydrophobicContact CD1-CD2 4.06Å; I75-Y87 HydrophobicContact CD1-CG 3.58Å; I75-Y87 HydrophobicContact CG1-CD1 3.97Å; I75-Y87 HydrophobicContact CG1-CD2 3.96Å; I75-Y87 HydrophobicContact CG1-CE1 4.3Å; I75-Y87 HydrophobicContact CG1-CE2 4.28Å; I75-Y87 HydrophobicContact CG1-CG 3.8Å; I75-Y87 HydrophobicContact CG2-CD1 4.4Å; I75-V104 HydrophobicContact CD1-CG1 4.31Å; I75-V104 HydrophobicContact CD1-CG2 4.05Å
76Q94.8Very high93.6Very high132 Ų13254.1 Ų54.162%0.61731%0.306SS*.Hα-helixtrans-59.3-43.9169.6-72.2170.922.200111.5T72 E73 C78 A79 L80T72-Q76 VanDerWaalsContact O-CG 3.29Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 3.42Å; E73-Q76 PolarHBondContact O-N 3.25Å; Q76-C78 PolarHBondContact O-N 2.96Å; Q76-A79 WeakPolarHBondContact O-CB 3.43Å; Q76-A79 PolarHBondContact O-N 3.49Å; Q76-L80 PolarHBondContact O-N 2.67Å
77L93.8Very high93.7Very high21 Ų2158.8 Ų58.811%0.1132%0.322CS..Hα-helixtrans-65.6-36.1178.2-173.2161.6000111.9E73 L74 I75 Y81 M119 K122 F124E73-L77 WeakPolarHBondContact O-CB 3.47Å; E73-L77 PolarHBondContact O-N 2.86Å; L74-L77 PolarHBondContact O-N 2.94Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.64Å; L77-Y81 HydrophobicContact CD2-CE2 4.26Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 VanDerWaalsContact O-CE2 3.3Å; L77-Y81 WeakPolarHBondContact O-CE2 3.34Å; L77-M119 HydrophobicContact CD2-CE 3.79Å; L77-M119 HydrophobicContact CD2-CG 3.61Å; L77-M119 HydrophobicContact CD2-SD 3.71Å; L77-K122 HydrophobicContact CD1-CD 4.42Å; L77-K122 VanDerWaalsContact CD1-NZ 3.34Å; L77-K122 HydrophobicContact CD2-CD 4.43Å; L77-F124 HydrophobicContact CD1-CD2 3.76Å; L77-F124 HydrophobicContact CD1-CE2 3.8Å
78C94.1Very high93.8Very high1 Ų163.1 Ų63.11%0.00733%0.327CS..Hα-helixtrans-63.6-45.2168.8-77.10000112.4L74 I75 Q76 L80 Y81 V84 F106L74-C78 PolarHBondContact O-N 3.44Å; L74-C78 PolarHBondContact O-SG 3.33Å; L74-C78 VanDerWaalsContact O-SG 3.38Å; I75-C78 WeakPolarHBondContact O-CB 3.11Å; I75-C78 PolarHBondContact O-N 2.82Å; Q76-C78 PolarHBondContact O-N 2.96Å; C78-L80 PolarHBondContact O-N 3.28Å; C78-Y81 PolarHBondContact O-N 2.99Å; C78-V84 HydrophobicContact CB-CG2 3.79Å; C78-F106 HydrophobicContact CB-CE1 4.17Å; C78-F106 HydrophobicContact CB-CZ 3.73Å
79A94.6Very high93.9Very high54 Ų5459.6 Ų59.645%0.44631%0.313SS..Hα-helixtrans-59.7-28.8-175.800000113.4I75 Q76 Y81 G82I75-A79 WeakPolarHBondContact O-CB 3.49Å; I75-A79 PolarHBondContact O-N 3.32Å; Q76-A79 WeakPolarHBondContact O-CB 3.43Å; Q76-A79 PolarHBondContact O-N 3.49Å; A79-Y81 PolarHBondContact O-N 3.09Å; A79-Y81 VanDerWaalsContact O-N 3.13Å; A79-G82 PolarHBondContact O-N 3.41Å
80L93.7Very high94Very high112 Ų11258.3 Ų58.359%0.58630%0.296SS*.THydrogen-bonded Turntrans-56.8-24.1172.3-61.7176.6000113.9Q76 C78Q76-L80 PolarHBondContact O-N 2.67Å; C78-L80 PolarHBondContact O-N 3.28Å
81Y92.9Very high93.7Very high50 Ų5064.4 Ų64.420%0.19633%0.329CS..THydrogen-bonded Turntrans-102.6-5.7179.4-51.6-59.7000113.2L77 C78 A79 S111 A115 N118 M119L77-Y81 HydrophobicContact CD2-CE2 4.26Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 VanDerWaalsContact O-CE2 3.3Å; L77-Y81 WeakPolarHBondContact O-CE2 3.34Å; C78-Y81 PolarHBondContact O-N 2.99Å; A79-Y81 PolarHBondContact O-N 3.09Å; A79-Y81 VanDerWaalsContact O-N 3.13Å; Y81-S111 VanDerWaalsContact O-CB 3.24Å; Y81-S111 WeakPolarHBondContact O-CB 3.38Å; Y81-S111 PolarHBondContact O-OG 2.84Å; Y81-A115 HydrophobicContact CD2-CB 3.93Å; Y81-A115 HydrophobicContact CG-CB 4.27Å; Y81-N118 HydrophobicContact CD1-CB 4.44Å; Y81-N118 HydrophobicContact CE1-CB 3.68Å; Y81-N118 WeakPolarHBondContact CE1-ND2 3.47Å; Y81-N118 HydrophobicContact CE2-CB 4.14Å; Y81-N118 WeakPolarHBondContact OH-CB 3.4Å; Y81-M119 HydrophobicContact CD2-CG 4.35Å; Y81-M119 HydrophobicContact CD2-SD 4.23Å; Y81-M119 HydrophobicContact CE2-CG 3.82Å; Y81-M119 HydrophobicContact CE2-SD 4.18Å
82G93Very high93.3Very high3 Ų368.8 Ų68.83%0.03135%0.348CS..SBendtrans139.3172.4171.700000113.7A79 V84A79-G82 PolarHBondContact O-N 3.41Å; G82-V84 PolarHBondContact O-N 3.4Å
83S94.8Very high92.8Very high60 Ų6066 Ų6642%0.4233%0.329SS..  trans-57.9120.8-174.1-470000113Q107S83-Q107 PolarHBondContact O-N 3.35Å
84V95.8Very high92.4Very high38 Ų3865.6 Ų65.623%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-79.1142.7164.7179.90000108.3C78 G82 V104 F106C78-V84 HydrophobicContact CB-CG2 3.79Å; G82-V84 PolarHBondContact O-N 3.4Å; V84-V104 HydrophobicContact CG1-CG1 3.84Å; V84-V104 HydrophobicContact CG2-CG1 4.07Å; V84-F106 HydrophobicContact CG2-CD1 4.34Å; V84-F106 HydrophobicContact CG2-CE1 3.97Å; V84-F106 HydrophobicContact CG2-CZ 4.32Å
85E94.7Very high91.8Very high101 Ų10168.3 Ų68.347%0.47235%0.354SS..EExtended strand (participates in β ladder)trans-109.4-43.4179.7-175.6-177.512600111.5R58 K105R58-E85 IonicContact CZ-OE2 3.25Å; R58-E85 IonicContact NH1-OE2 2.67Å; R58-E85 IonicContact NH2-OE2 3.84Å; R58-E85 PolarHBondContact NH2-OE2 3.25Å; E85-K105 HydrophobicContact CB-CD 4.32Å; E85-K105 HydrophobicContact CB-CG 4.4Å; E85-K105 HydrophobicContact CG-CD 4.35Å; E85-K105 PolarHBondContact N-O 3.22Å; E85-K105 WeakPolarHBondContact OE1-CE 3.48Å; E85-K105 IonicContact OE1-NZ 2.72Å; E85-K105 PolarHBondContact OE1-NZ 3.21Å
86E94.8Very high91.4Very high71 Ų7174.2 Ų74.233%0.33238%0.381SS..EExtended strand (participates in β ladder)trans-142.9147.7177.4-172.4-173.7170.200108.5R88 K105E86-R88 IonicContact OE1-CZ 2.71Å; E86-R88 IonicContact OE1-NE 3.69Å; E86-R88 PolarHBondContact OE1-NE 3.48Å; E86-R88 IonicContact OE1-NH2 3.61Å; E86-R88 PolarHBondContact OE1-NH2 2.9Å; E86-K105 HydrophobicContact CB-CB 3.98Å; E86-K105 HydrophobicContact CB-CD 4.17Å; E86-K105 PolarHBondContact O-N 3.22Å
87Y95.1Very high91.2Very high114 Ų11475.6 Ų75.645%0.44739%0.388SS..EExtended strand (participates in β ladder)trans-140.2149.616565.8-85.7000110I75 L103I75-Y87 VanDerWaalsContact CD1-CB 3.49Å; I75-Y87 HydrophobicContact CD1-CD1 3.99Å; I75-Y87 HydrophobicContact CD1-CD2 4.06Å; I75-Y87 HydrophobicContact CD1-CG 3.58Å; I75-Y87 HydrophobicContact CG1-CD1 3.97Å; I75-Y87 HydrophobicContact CG1-CD2 3.96Å; I75-Y87 HydrophobicContact CG1-CE1 4.3Å; I75-Y87 HydrophobicContact CG1-CE2 4.28Å; I75-Y87 HydrophobicContact CG1-CG 3.8Å; I75-Y87 HydrophobicContact CG2-CD1 4.4Å; Y87-L103 CarbonylContact C-O 3.57Å; Y87-L103 VanDerWaalsContact CA-O 3.28Å; Y87-L103 WeakPolarHBondContact CA-O 3.47Å
88R93.7Very high91Very high142 Ų14282.9 Ų82.954%0.53642%0.419SS..EExtended strand (participates in β ladder)trans-150.5135.8-178.3-155.6-174.8-64.6-160.7-0.4110.3E86 L103E86-R88 IonicContact OE1-CZ 2.71Å; E86-R88 IonicContact OE1-NE 3.69Å; E86-R88 PolarHBondContact OE1-NE 3.48Å; E86-R88 IonicContact OE1-NH2 3.61Å; E86-R88 PolarHBondContact OE1-NH2 2.9Å; R88-L103 PolarHBondContact N-O 2.9Å; R88-L103 PolarHBondContact O-N 3Å
89P93Very high90.9Very high56 Ų5684.3 Ų84.336%0.36443%0.428SS..EExtended strand (participates in β ladder)trans-64.8150.4161.731.7-35000109.3Y102P89-Y102 HydrophobicContact CB-CE1 4.14Å
90L90.4Very high90.8Very high14 Ų1484 Ų847%0.07342%0.417CS..  trans-12863.6-175.4-167.569000109.9M61 E92 Y93 V101M61-L90 HydrophobicContact SD-CD2 4.13Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.14Å; L90-Y93 HydrophobicContact CD2-CD2 4.11Å; L90-Y93 HydrophobicContact CD2-CG 4.31Å; L90-Y93 VanDerWaalsContact O-CB 3.29Å; L90-Y93 WeakPolarHBondContact O-CB 3.48Å; L90-Y93 PolarHBondContact O-N 3.26Å; L90-V101 HydrophobicContact CB-CG1 4.34Å; L90-V101 HydrophobicContact CD2-CG1 4.49Å; L90-V101 PolarHBondContact N-O 3.19Å
91D86.4Confident90.9Very high137 Ų13778.9 Ų78.973%0.73339%0.39SS*.THydrogen-bonded Turntrans-60.6-21.9-177-45.1-24.7000112.8Y93D91-Y93 PolarHBondContact O-N 2.6Å
92E84.1Confident90.9Very high160 Ų16076.6 Ų76.675%0.74838%0.381SS*.THydrogen-bonded Turntrans-65.5-18.9171.8-61.7174.4-178.200113P21 L90P21-E92 WeakPolarHBondContact CG-O 3.42Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-E92 VanDerWaalsContact O-N 3.14Å
93Y85.3Confident91.1Very high24 Ų2477.2 Ų77.29%0.09438%0.383CS..SBendtrans-91.3130.9-177.3-158.6-81.2000111.1V23 H27 M61 L90 D91 A95 V101V23-Y93 WeakPolarHBondContact CG1-OH 3.47Å; V23-Y93 HydrophobicContact CG2-CE1 4.19Å; H27-Y93 WeakPolarHBondContact CB-OH 3.28Å; H27-Y93 AromaticContact ND1-CE2 3.47Å; H27-Y93 WeakPolarHBondContact ND1-CE2 3.08Å; H27-Y93 AromaticContact ND1-CZ 3.55Å; H27-Y93 PolarHBondContact ND1-OH 3.43Å; M61-Y93 HydrophobicContact CE-CD2 4.43Å; M61-Y93 HydrophobicContact CE-CE1 4.33Å; M61-Y93 HydrophobicContact CE-CE2 3.89Å; M61-Y93 HydrophobicContact SD-CD1 4.33Å; M61-Y93 HydrophobicContact SD-CD2 3.95Å; M61-Y93 HydrophobicContact SD-CE1 4.42Å; M61-Y93 HydrophobicContact SD-CE2 4.03Å; M61-Y93 HydrophobicContact SD-CG 4.11Å; L90-Y93 HydrophobicContact CD2-CD2 4.11Å; L90-Y93 HydrophobicContact CD2-CG 4.31Å; L90-Y93 VanDerWaalsContact O-CB 3.29Å; L90-Y93 WeakPolarHBondContact O-CB 3.48Å; L90-Y93 PolarHBondContact O-N 3.26Å; D91-Y93 PolarHBondContact O-N 2.6Å; Y93-A95 PolarHBondContact O-N 3.15Å; Y93-V101 HydrophobicContact CD1-CG1 4.38Å; Y93-V101 HydrophobicContact CD1-CG2 4.26Å; Y93-V101 HydrophobicContact CG-CG1 4.36Å
94P85.2Confident91.1Very high60 Ų6074.3 Ų74.339%0.3936%0.364SS..  trans-62.6113.1179.725-33.9000111.3V23V23-P94 HydrophobicContact CG2-CG 3.43Å; V23-P94 VanDerWaalsContact CG2-CG 3.43Å
95A83.3Confident91.1Very high56 Ų5673.7 Ų73.746%0.46336%0.358SS..PPolyproline II helixtrans-100.5168.1-179.800000112Y93 T99 V101Y93-A95 PolarHBondContact O-N 3.15Å; A95-T99 WeakPolarHBondContact CB-O 3.29Å; A95-V101 HydrophobicContact CB-CG2 3.9Å
96E87.1Confident91.2Very high152 Ų15268.9 Ų68.971%0.7134%0.335SS*.PPolyproline II helixtrans-79152.2166.7-177.8172-166.800109.7F98 T99E96-F98 PolarHBondContact O-N 3.15Å; E96-T99 WeakPolarHBondContact CA-OG1 3.38Å; E96-T99 HydrophobicContact CB-CG2 4.12Å; E96-T99 WeakPolarHBondContact CB-OG1 3.15Å; E96-T99 HydrophobicContact CG-CG2 4.5Å; E96-T99 PolarHBondContact N-OG1 3.21Å; E96-T99 VanDerWaalsContact N-OG1 3.13Å; E96-T99 WeakPolarHBondContact O-CB 3.48Å; E96-T99 PolarHBondContact O-N 2.81Å; E96-T99 PolarHBondContact O-OG1 2.8Å
97E89.2Confident91.1Very high161 Ų16170.1 Ų70.175%0.75234%0.341SS*.THydrogen-bonded Turntrans-53.1135.8-178.9-64.6-178.6-172.300111.8T99E97-T99 PolarHBondContact O-N 3.38Å; E97-T99 VanDerWaalsContact O-N 3.16Å
98F89Confident91Very high175 Ų17569.4 Ų69.477%0.76834%0.34SS*.THydrogen-bonded Turntrans59.417.3-175.5-42.6-80.8000114.9A67 E96A67-F98 WeakPolarHBondContact CB-O 3.47Å; A67-F98 PolarHBondContact N-O 3.27Å; E96-F98 PolarHBondContact O-N 3.15Å
99T93.4Very high90.9Very high31 Ų3163.3 Ų63.319%0.1932%0.318CS..EExtended strand (participates in β ladder)trans-116.8151.6170.976.10000112.1V65 A95 E96 E97V65-T99 CarbonylContact O-C 3.57Å; V65-T99 VanDerWaalsContact O-CA 3.25Å; V65-T99 WeakPolarHBondContact O-CA 3.38Å; A95-T99 WeakPolarHBondContact CB-O 3.29Å; E96-T99 WeakPolarHBondContact CA-OG1 3.38Å; E96-T99 HydrophobicContact CB-CG2 4.12Å; E96-T99 WeakPolarHBondContact CB-OG1 3.15Å; E96-T99 HydrophobicContact CG-CG2 4.5Å; E96-T99 PolarHBondContact N-OG1 3.21Å; E96-T99 VanDerWaalsContact N-OG1 3.13Å; E96-T99 WeakPolarHBondContact O-CB 3.48Å; E96-T99 PolarHBondContact O-N 2.81Å; E96-T99 PolarHBondContact O-OG1 2.8Å; E97-T99 PolarHBondContact O-N 3.38Å; E97-T99 VanDerWaalsContact O-N 3.16Å
100E92.7Very high90.8Very high48 Ų4862.9 Ų62.922%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-113.9158.5175.4-70.9165.3-170.700109.6V65 A67 Y102V65-E100 PolarHBondContact N-O 3.11Å; V65-E100 PolarHBondContact O-N 3.23Å; A67-E100 WeakPolarHBondContact CA-OE1 3.46Å; A67-E100 HydrophobicContact CB-CG 3.96Å; A67-E100 WeakPolarHBondContact CB-OE1 3.29Å; E100-Y102 HydrophobicContact CB-CD2 4.19Å; E100-Y102 HydrophobicContact CB-CE2 3.57Å; E100-Y102 HydrophobicContact CG-CE2 4.48Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.43Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.26Å; E100-Y102 PolarHBondContact OE2-OH 3.18Å
101V94.1Very high91Very high3 Ų363 Ų632%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-117.5129.2177179.40000108.6M61 V62 Q63 L90 Y93 A95M61-V101 HydrophobicContact CG-CG1 3.45Å; M61-V101 VanDerWaalsContact CG-CG1 3.45Å; M61-V101 HydrophobicContact SD-CG1 3.42Å; M61-V101 WeakPolarHBondContact SD-CG1 3.41Å; V62-V101 WeakPolarHBondContact O-CA 3.36Å; Q63-V101 HydrophobicContact CG-CG1 4.06Å; Q63-V101 HydrophobicContact CG-CG2 4.09Å; L90-V101 HydrophobicContact CB-CG1 4.34Å; L90-V101 HydrophobicContact CD2-CG1 4.49Å; L90-V101 PolarHBondContact N-O 3.19Å; Y93-V101 HydrophobicContact CD1-CG1 4.38Å; Y93-V101 HydrophobicContact CD1-CG2 4.26Å; Y93-V101 HydrophobicContact CG-CG1 4.36Å; A95-V101 HydrophobicContact CB-CG2 3.9Å
102Y94.9Very high91.3Very high3 Ų356.4 Ų56.41%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-119.4129.1-176.3-77.7-95.8000111.8M61 V62 V65 M71 L74 P89 E100M61-Y102 CarbonylContact C-O 3.6Å; M61-Y102 WeakPolarHBondContact CA-O 3.48Å; V62-Y102 PolarHBondContact N-O 2.86Å; V62-Y102 PolarHBondContact O-N 3.03Å; V65-Y102 HydrophobicContact CB-CD2 3.91Å; V65-Y102 HydrophobicContact CB-CE2 4.06Å; V65-Y102 HydrophobicContact CG1-CD2 3.91Å; V65-Y102 HydrophobicContact CG1-CE2 3.71Å; V65-Y102 HydrophobicContact CG2-CD2 3.84Å; V65-Y102 HydrophobicContact CG2-CE2 4.46Å; M71-Y102 HydrophobicContact CB-CE1 3.72Å; M71-Y102 WeakPolarHBondContact CB-OH 3.34Å; L74-Y102 HydrophobicContact CD2-CD1 4.45Å; L74-Y102 HydrophobicContact CD2-CD2 4.03Å; L74-Y102 HydrophobicContact CD2-CG 3.88Å; P89-Y102 HydrophobicContact CB-CE1 4.14Å; E100-Y102 HydrophobicContact CB-CD2 4.19Å; E100-Y102 HydrophobicContact CB-CE2 3.57Å; E100-Y102 HydrophobicContact CG-CE2 4.48Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.43Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.26Å; E100-Y102 PolarHBondContact OE2-OH 3.18Å
103L95.4Very high91.8Very high15 Ų1549.4 Ų49.48%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-91.4126.5167.7-173.168.1000109.2Y59 L60 Y87 R88 V134 Y137Y59-L103 HydrophobicContact CD1-CD1 4.34Å; Y59-L103 HydrophobicContact CD1-CD2 4.31Å; Y59-L103 HydrophobicContact CD1-CG 4.33Å; L60-L103 WeakPolarHBondContact O-CA 3.43Å; Y87-L103 CarbonylContact C-O 3.57Å; Y87-L103 VanDerWaalsContact CA-O 3.28Å; Y87-L103 WeakPolarHBondContact CA-O 3.47Å; R88-L103 PolarHBondContact N-O 2.9Å; R88-L103 PolarHBondContact O-N 3Å; L103-V134 HydrophobicContact CD1-CB 4.36Å; L103-V134 HydrophobicContact CD1-CG2 3.78Å; L103-Y137 HydrophobicContact CD1-CD2 4.39Å; L103-Y137 HydrophobicContact CD1-CG 4.36Å; L103-Y137 HydrophobicContact CD2-CD1 3.58Å; L103-Y137 HydrophobicContact CD2-CE1 3.91Å; L103-Y137 HydrophobicContact CD2-CG 3.96Å
104V96.4Very high92.2Very high0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-129.6119-178-175.50000110.2Y59 L60 I75 V84 F106Y59-V104 CarbonylContact C-O 3.52Å; Y59-V104 WeakPolarHBondContact CA-O 3.32Å; L60-V104 PolarHBondContact N-O 3.44Å; L60-V104 PolarHBondContact O-N 3.02Å; I75-V104 HydrophobicContact CD1-CG1 4.31Å; I75-V104 HydrophobicContact CD1-CG2 4.05Å; V84-V104 HydrophobicContact CG1-CG1 3.84Å; V84-V104 HydrophobicContact CG2-CG1 4.07Å; V104-F106 HydrophobicContact CB-CE2 4.43Å; V104-F106 HydrophobicContact CG1-CD2 4.31Å; V104-F106 HydrophobicContact CG1-CE2 3.78Å; V104-F106 HydrophobicContact CG1-CZ 4.21Å
105K95.9Very high92.6Very high25 Ų2545.6 Ų45.611%0.10923%0.227CC..EExtended strand (participates in β ladder)trans-96.5120.7178.1-172.6-173.4-171.8-176.30110.2Y59 E85 E86Y59-K105 HydrophobicContact CD1-CB 3.94Å; Y59-K105 HydrophobicContact CD1-CG 4.06Å; Y59-K105 HydrophobicContact CD2-CG 4.41Å; Y59-K105 HydrophobicContact CE1-CB 3.93Å; Y59-K105 HydrophobicContact CE1-CD 3.74Å; Y59-K105 HydrophobicContact CE1-CG 3.76Å; Y59-K105 HydrophobicContact CE2-CD 4.27Å; Y59-K105 HydrophobicContact CE2-CG 4.09Å; Y59-K105 HydrophobicContact CG-CG 4.39Å; Y59-K105 WeakPolarHBondContact OH-CE 3.39Å; Y59-K105 PolarHBondContact OH-NZ 3Å; E85-K105 HydrophobicContact CB-CD 4.32Å; E85-K105 HydrophobicContact CB-CG 4.4Å; E85-K105 HydrophobicContact CG-CD 4.35Å; E85-K105 PolarHBondContact N-O 3.22Å; E85-K105 WeakPolarHBondContact OE1-CE 3.48Å; E85-K105 IonicContact OE1-NZ 2.72Å; E85-K105 PolarHBondContact OE1-NZ 3.21Å; E86-K105 HydrophobicContact CB-CB 3.98Å; E86-K105 HydrophobicContact CB-CD 4.17Å; E86-K105 PolarHBondContact O-N 3.22Å
106F95.5Very high93.2Very high0 Ų043.5 Ų43.50%021%0.207CC..EExtended strand (participates in β ladder)trans-93.3146.7173.7-74.1-92.5000112R58 L60 C78 V84 V104 K108 A112 A115R58-F106 PolarHBondContact NE-O 2.85Å; R58-F106 PolarHBondContact NH2-O 2.79Å; R58-F106 PolarHBondContact O-N 2.96Å; L60-F106 HydrophobicContact CD1-CD2 4.29Å; L60-F106 HydrophobicContact CD1-CE2 3.75Å; L60-F106 HydrophobicContact CG-CD2 4.39Å; L60-F106 HydrophobicContact CG-CE2 4.22Å; C78-F106 HydrophobicContact CB-CE1 4.17Å; C78-F106 HydrophobicContact CB-CZ 3.73Å; V84-F106 HydrophobicContact CG2-CD1 4.34Å; V84-F106 HydrophobicContact CG2-CE1 3.97Å; V84-F106 HydrophobicContact CG2-CZ 4.32Å; V104-F106 HydrophobicContact CB-CE2 4.43Å; V104-F106 HydrophobicContact CG1-CD2 4.31Å; V104-F106 HydrophobicContact CG1-CE2 3.78Å; V104-F106 HydrophobicContact CG1-CZ 4.21Å; F106-K108 PolarHBondContact O-N 3.4Å; F106-A112 HydrophobicContact CB-CB 4.22Å; F106-A112 HydrophobicContact CD2-CB 4.05Å; F106-A112 HydrophobicContact CG-CB 4.31Å; F106-A115 HydrophobicContact CE1-CB 4.26Å; F106-A115 HydrophobicContact CE2-CB 4.02Å; F106-A115 HydrophobicContact CZ-CB 3.61Å
107Q93.3Very high93.4Very high96 Ų9641.3 Ų41.345%0.44919%0.192SC..SBendtrans-58.8-29.3174.6-160.6-165.948.600112.5R58 S83R58-Q107 VanDerWaalsContact NH2-CA 3.29Å; R58-Q107 PolarHBondContact NH2-O 2.92Å; S83-Q107 PolarHBondContact O-N 3.35Å
108K92.3Very high93.5Very high99 Ų9937 Ų3743%0.4317%0.174SC..SBendtrans-135.8136.5-173.2-65.9170.8-174.6161.80111.6F106 T110 S111 A112F106-K108 PolarHBondContact O-N 3.4Å; K108-T110 PolarHBondContact O-N 2.74Å; K108-S111 WeakPolarHBondContact O-CB 3.39Å; K108-S111 PolarHBondContact O-N 2.92Å; K108-A112 PolarHBondContact O-N 3.5Å; K108-A112 VanDerWaalsContact O-N 3.17Å
109L92.1Very high93.7Very high14 Ų1428.6 Ų28.67%0.07314%0.138CC..Hα-helixtrans-58.4-33.1176.9-174.471.4000112.6E56 S57 A112 R113 K146E56-L109 HydrophobicContact CB-CD1 4.33Å; S57-L109 VanDerWaalsContact C-CD1 3.44Å; L109-A112 PolarHBondContact O-N 2.61Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 2.65Å; L109-K146 HydrophobicContact CD2-CG 4.19Å
110T91.8Very high93.8Very high48 Ų4828.6 Ų28.629%0.29414%0.137SC..Hα-helixtrans-65.4-37.1175.246.30000112.6K108 R113 A114 G241 T242K108-T110 PolarHBondContact O-N 2.74Å; T110-R113 PolarHBondContact O-N 2.83Å; T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.05Å; T110-G241 WeakPolarHBondContact CG2-O 3.36Å; T110-T242 WeakPolarHBondContact O-CG2 3.42Å
111S93.4Very high93.8Very high15 Ų1529.5 Ų29.511%0.10514%0.141CC..Hα-helixtrans-68.7-42174.3-670000111.7Y81 K108 R113 A114 A115Y81-S111 VanDerWaalsContact O-CB 3.24Å; Y81-S111 WeakPolarHBondContact O-CB 3.38Å; Y81-S111 PolarHBondContact O-OG 2.84Å; K108-S111 WeakPolarHBondContact O-CB 3.39Å; K108-S111 PolarHBondContact O-N 2.92Å; S111-R113 PolarHBondContact O-N 2.89Å; S111-A114 PolarHBondContact O-N 2.78Å; S111-A114 VanDerWaalsContact O-N 3.09Å; S111-A115 WeakPolarHBondContact O-CB 3.49Å; S111-A115 PolarHBondContact O-N 3.03Å
112A93.9Very high93.7Very high0 Ų032.4 Ų32.40%015%0.153CC..Hα-helixtrans-58.4-45171.700000111.9S57 L60 F106 K108 L109 A114 A115 K116S57-A112 WeakPolarHBondContact O-CB 3.46Å; L60-A112 HydrophobicContact CD2-CB 4.3Å; L60-A112 HydrophobicContact CG-CB 4.28Å; F106-A112 HydrophobicContact CB-CB 4.22Å; F106-A112 HydrophobicContact CD2-CB 4.05Å; F106-A112 HydrophobicContact CG-CB 4.31Å; K108-A112 PolarHBondContact O-N 3.5Å; K108-A112 VanDerWaalsContact O-N 3.17Å; L109-A112 PolarHBondContact O-N 2.61Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.95Å; A112-A115 PolarHBondContact O-N 2.86Å; A112-K116 VanDerWaalsContact O-CB 3.25Å; A112-K116 WeakPolarHBondContact O-CB 3.3Å; A112-K116 PolarHBondContact O-N 2.95Å
113R93.4Very high93.7Very high12 Ų1236.6 Ų36.65%0.04518%0.183CC..Hα-helixtrans-60.2-37.7172.6-74.1175.3179.4151.25.2113.3E56 L109 T110 S111 R117 Y133 M240 T242E56-R113 VanDerWaalsContact CD-NE 3.27Å; E56-R113 IonicContact OE1-CZ 3.51Å; E56-R113 IonicContact OE1-NE 2.65Å; E56-R113 PolarHBondContact OE1-NE 3.5Å; E56-R113 IonicContact OE1-NH2 3.73Å; E56-R113 IonicContact OE2-CZ 3.9Å; E56-R113 VanDerWaalsContact OE2-CZ 3.25Å; E56-R113 IonicContact OE2-NE 3.33Å; E56-R113 PolarHBondContact OE2-NE 2.93Å; E56-R113 IonicContact OE2-NH2 3.79Å; E56-R113 PolarHBondContact OE2-NH2 3.48Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 2.65Å; T110-R113 PolarHBondContact O-N 2.83Å; S111-R113 PolarHBondContact O-N 2.89Å; R113-R117 WeakPolarHBondContact O-CD 3.43Å; R113-R117 VanDerWaalsContact O-CG 3.22Å; R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.05Å; R113-Y133 WeakPolarHBondContact CG-OH 3.44Å; R113-M240 PolarHBondContact NH1-O 3.48Å; R113-T242 HydrophobicContact CB-CG2 4.42Å
114A93Very high93.7Very high5 Ų536.5 Ų36.54%0.04118%0.182CC..Hα-helixtrans-70.3-46.4179.100000111.5T110 S111 A112 R117 N118 T242T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.05Å; S111-A114 PolarHBondContact O-N 2.78Å; S111-A114 VanDerWaalsContact O-N 3.09Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.95Å; A114-R117 PolarHBondContact O-N 2.79Å; A114-N118 PolarHBondContact O-N 2.94Å; A114-N118 PolarHBondContact O-ND2 3.19Å; A114-N118 VanDerWaalsContact O-ND2 3.12Å; A114-T242 HydrophobicContact CB-CG2 4.17Å
115A94.9Very high93.5Very high0 Ų042.4 Ų42.40%021%0.205CC..Hα-helixtrans-58.7-53.9173.800000111.2L60 Y81 F106 S111 A112 R117 N118 M119L60-A115 HydrophobicContact CD1-CB 3.85Å; Y81-A115 HydrophobicContact CD2-CB 3.93Å; Y81-A115 HydrophobicContact CG-CB 4.27Å; F106-A115 HydrophobicContact CE1-CB 4.26Å; F106-A115 HydrophobicContact CE2-CB 4.02Å; F106-A115 HydrophobicContact CZ-CB 3.61Å; S111-A115 WeakPolarHBondContact O-CB 3.49Å; S111-A115 PolarHBondContact O-N 3.03Å; A112-A115 PolarHBondContact O-N 2.86Å; A115-R117 PolarHBondContact O-N 3.44Å; A115-N118 PolarHBondContact O-N 3.43Å; A115-M119 HydrophobicContact CB-SD 3.88Å; A115-M119 WeakPolarHBondContact O-CB 3.37Å; A115-M119 WeakPolarHBondContact O-CG 3.3Å; A115-M119 PolarHBondContact O-N 3.07Å
116K94.8Very high93.3Very high11 Ų1145.1 Ų45.15%0.04824%0.241CC..Hα-helixtrans-60.5-16.7-179.5-165.4-97.2168.3-64.70114.5Y51 L60 A112 D120 V131 Y133Y51-K116 VanDerWaalsContact OH-CE 3.29Å; Y51-K116 WeakPolarHBondContact OH-CE 3.26Å; L60-K116 HydrophobicContact CD1-CB 4.01Å; L60-K116 HydrophobicContact CD2-CB 3.95Å; L60-K116 HydrophobicContact CD2-CG 4.18Å; A112-K116 VanDerWaalsContact O-CB 3.25Å; A112-K116 WeakPolarHBondContact O-CB 3.3Å; A112-K116 PolarHBondContact O-N 2.95Å; K116-D120 IonicContact NZ-OD1 3.98Å; K116-D120 PolarHBondContact NZ-OD1 3.03Å; K116-D120 IonicContact NZ-OD2 2.64Å; K116-D120 PolarHBondContact NZ-OD2 3.36Å; K116-D120 WeakPolarHBondContact O-CB 3.49Å; K116-V131 HydrophobicContact CB-CG1 4.28Å; K116-V131 WeakPolarHBondContact CE-O 3.09Å; K116-V131 HydrophobicContact CG-CB 4.48Å; K116-V131 HydrophobicContact CG-CG1 4Å; K116-V131 PolarHBondContact NZ-O 2.9Å; K116-Y133 HydrophobicContact CB-CE1 4.29Å; K116-Y133 HydrophobicContact CD-CD2 4.42Å; K116-Y133 HydrophobicContact CD-CE2 3.79Å; K116-Y133 HydrophobicContact CG-CE1 4.35Å; K116-Y133 HydrophobicContact CG-CE2 4.29Å
117R92.3Very high93.1Very high106 Ų10646.4 Ų46.440%0.425%0.253SS..Hα-helixtrans-89.9-27.4173.6-75171.1-172.6173.75.1114.5R113 A114 A115 D238R113-R117 WeakPolarHBondContact O-CD 3.43Å; R113-R117 VanDerWaalsContact O-CG 3.22Å; R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.05Å; A114-R117 PolarHBondContact O-N 2.79Å; A115-R117 PolarHBondContact O-N 3.44Å; R117-D238 IonicContact CZ-OD2 2.7Å; R117-D238 IonicContact NH1-OD2 2.69Å; R117-D238 PolarHBondContact NH1-OD2 3.42Å; R117-D238 IonicContact NH2-OD2 3.14Å; R117-D238 PolarHBondContact NH2-OD2 3.43Å
118N91.6Very high93.1Very high70 Ų7045.7 Ų45.737%0.37426%0.256SS..Hα-helixtrans-105.1-20.4-171.8-66-34.1000112.9Y81 A114 A115Y81-N118 HydrophobicContact CD1-CB 4.44Å; Y81-N118 HydrophobicContact CE1-CB 3.68Å; Y81-N118 WeakPolarHBondContact CE1-ND2 3.47Å; Y81-N118 HydrophobicContact CE2-CB 4.14Å; Y81-N118 WeakPolarHBondContact OH-CB 3.4Å; A114-N118 PolarHBondContact O-N 2.94Å; A114-N118 PolarHBondContact O-ND2 3.19Å; A114-N118 VanDerWaalsContact O-ND2 3.12Å; A115-N118 PolarHBondContact O-N 3.43Å
119M93.3Very high93.2Very high0 Ų041 Ų410%024%0.235CC..SBendtrans-97.8-25178.2-62.3178.354.400113.4V62 L74 L77 Y81 A115 E121 K122 L129 V131V62-M119 HydrophobicContact CG2-CE 4.16Å; L74-M119 HydrophobicContact CD1-CE 3.72Å; L77-M119 HydrophobicContact CD2-CE 3.79Å; L77-M119 HydrophobicContact CD2-CG 3.61Å; L77-M119 HydrophobicContact CD2-SD 3.71Å; Y81-M119 HydrophobicContact CD2-CG 4.35Å; Y81-M119 HydrophobicContact CD2-SD 4.23Å; Y81-M119 HydrophobicContact CE2-CG 3.82Å; Y81-M119 HydrophobicContact CE2-SD 4.18Å; A115-M119 HydrophobicContact CB-SD 3.88Å; A115-M119 WeakPolarHBondContact O-CB 3.37Å; A115-M119 WeakPolarHBondContact O-CG 3.3Å; A115-M119 PolarHBondContact O-N 3.07Å; M119-E121 PolarHBondContact O-N 2.97Å; M119-K122 WeakPolarHBondContact O-CB 3.47Å; M119-K122 PolarHBondContact O-N 2.81Å; M119-L129 HydrophobicContact CE-CD1 4.29Å; M119-L129 WeakPolarHBondContact O-CB 3.47Å; M119-V131 HydrophobicContact CB-CG2 3.81Å
120D93.9Very high93.3Very high31 Ų3141.2 Ų41.217%0.16624%0.236CC..THydrogen-bonded Turntrans-70.5120.3179.1-171.449.2000110.8K116 K122 H130 V131K116-D120 IonicContact NZ-OD1 3.98Å; K116-D120 PolarHBondContact NZ-OD1 3.03Å; K116-D120 IonicContact NZ-OD2 2.64Å; K116-D120 PolarHBondContact NZ-OD2 3.36Å; K116-D120 WeakPolarHBondContact O-CB 3.49Å; D120-K122 VanDerWaalsContact C-N 3.34Å; D120-H130 IonicContact OD1-ND1 3.15Å; D120-V131 HydrophobicContact CB-CB 4.26Å; D120-V131 PolarHBondContact OD1-N 3.19Å
121E92.5Very high93.5Very high66 Ų6638.9 Ų38.931%0.30822%0.222SC..THydrogen-bonded Turntrans64.129.7-166.3-52.3160.4-161.700113.9K46 M119 L129K46-E121 VanDerWaalsContact CE-OE2 3.23Å; K46-E121 WeakPolarHBondContact CE-OE2 3.3Å; K46-E121 IonicContact NZ-OE1 2.68Å; K46-E121 PolarHBondContact NZ-OE1 2.87Å; K46-E121 IonicContact NZ-OE2 3.59Å; K46-E121 PolarHBondContact NZ-OE2 2.91Å; M119-E121 PolarHBondContact O-N 2.97Å; E121-L129 WeakPolarHBondContact CA-O 3.44Å; E121-L129 PolarHBondContact N-O 3.38Å
122K93.3Very high93.6Very high64 Ų6438.2 Ų38.228%0.27822%0.217SC..EExtended strand (participates in β ladder)trans-93.1129.8175.1-171.5-177.51791790110.8L77 M119 D120 L129L77-K122 HydrophobicContact CD1-CD 4.42Å; L77-K122 VanDerWaalsContact CD1-NZ 3.34Å; L77-K122 HydrophobicContact CD2-CD 4.43Å; M119-K122 WeakPolarHBondContact O-CB 3.47Å; M119-K122 PolarHBondContact O-N 2.81Å; D120-K122 VanDerWaalsContact C-N 3.34Å; K122-L129 PolarHBondContact O-N 3.27Å
123S94.4Very high93.6Very high92 Ų9238.6 Ų38.664%0.64322%0.218SC*.EExtended strand (participates in β ladder)trans-66.1134.4171.4-52.40000111.5G127S123-G127 CarbonylContact C-O 3.49Å; S123-G127 VanDerWaalsContact CA-O 3.3Å; S123-G127 WeakPolarHBondContact CA-O 3.42Å
124F94.6Very high93.7Very high12 Ų1238 Ų385%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-150.9116.7-176.4-174.8-105.7000109.1V65 V70 E73 L74 L77 G126 G127 L129V65-F124 HydrophobicContact CG1-CE1 4.11Å; V70-F124 HydrophobicContact CB-CE1 4.16Å; V70-F124 HydrophobicContact CB-CZ 4.2Å; V70-F124 HydrophobicContact CG2-CE1 3.57Å; V70-F124 HydrophobicContact CG2-CZ 4.1Å; E73-F124 HydrophobicContact CB-CZ 4.4Å; L74-F124 HydrophobicContact CB-CZ 4.01Å; L77-F124 HydrophobicContact CD1-CD2 3.76Å; L77-F124 HydrophobicContact CD1-CE2 3.8Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 2.86Å; F124-G126 VanDerWaalsContact O-N 3.16Å; F124-G127 PolarHBondContact N-O 2.88Å; F124-G127 WeakPolarHBondContact O-CA 3.33Å; F124-G127 PolarHBondContact O-N 2.9Å; F124-L129 HydrophobicContact CB-CD1 3.86Å; F124-L129 HydrophobicContact CB-CD2 3.91Å; F124-L129 HydrophobicContact CB-CG 3.63Å; F124-L129 HydrophobicContact CD1-CD1 4.4Å; F124-L129 HydrophobicContact CD1-CD2 3.84Å; F124-L129 HydrophobicContact CD1-CG 4.39Å; F124-L129 HydrophobicContact CD2-CD1 4.4Å; F124-L129 HydrophobicContact CG-CD1 3.99Å; F124-L129 HydrophobicContact CG-CD2 4.11Å; F124-L129 HydrophobicContact CG-CG 4.14Å
125Y93.3Very high93.7Very high124 Ų12439.2 Ų39.249%0.48622%0.223SC..THydrogen-bonded Turntrans4644.7-178-66.1-89.4000114.5V70 E73 G127V70-Y125 HydrophobicContact CB-CD2 4.34Å; V70-Y125 HydrophobicContact CG1-CD1 4.16Å; V70-Y125 HydrophobicContact CG1-CD2 4.15Å; V70-Y125 HydrophobicContact CG1-CE1 4.39Å; V70-Y125 HydrophobicContact CG1-CE2 4.4Å; V70-Y125 HydrophobicContact CG1-CG 4.07Å; E73-Y125 HydrophobicContact CB-CE2 4.49Å; E73-Y125 PolarHBondContact OE1-OH 3Å; E73-Y125 WeakPolarHBondContact OE2-CE2 3.48Å; E73-Y125 PolarHBondContact OE2-OH 2.98Å; Y125-G127 PolarHBondContact O-N 3.33Å
126G91.7Very high93.5Very high83 Ų8343.1 Ų43.186%0.85624%0.242SC*.THydrogen-bonded Turntrans85.7-31.5-178.100000114.5F124F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 2.86Å; F124-G126 VanDerWaalsContact O-N 3.16Å
127G91.4Very high93.3Very high26 Ų2647 Ų4727%0.26826%0.257SS..EExtended strand (participates in β ladder)trans-74.2177.7173.100000113.8S123 F124 Y125S123-G127 CarbonylContact C-O 3.49Å; S123-G127 VanDerWaalsContact CA-O 3.3Å; S123-G127 WeakPolarHBondContact CA-O 3.42Å; F124-G127 PolarHBondContact N-O 2.88Å; F124-G127 WeakPolarHBondContact O-CA 3.33Å; F124-G127 PolarHBondContact O-N 2.9Å; Y125-G127 PolarHBondContact O-N 3.33Å
128V93.6Very high93.3Very high82 Ų8243 Ų4350%0.49724%0.243SC..EExtended strand (participates in β ladder)trans-125.3118.1173.9178.50000109H130V128-H130 PolarHBondContact O-N 3.32Å
129L95.1Very high93.5Very high0 Ų042.7 Ų42.70%024%0.243CC..EExtended strand (participates in β ladder)trans-70.1131.4179.4-59.7-177.7000111.3V62 V65 L74 M119 E121 K122 F124 V131V62-L129 HydrophobicContact CG1-CB 4.35Å; V62-L129 HydrophobicContact CG1-CD1 4.29Å; V62-L129 HydrophobicContact CG1-CD2 3.88Å; V62-L129 HydrophobicContact CG1-CG 4.4Å; V65-L129 HydrophobicContact CG2-CD2 3.94Å; L74-L129 HydrophobicContact CD1-CD1 4.18Å; M119-L129 HydrophobicContact CE-CD1 4.29Å; M119-L129 WeakPolarHBondContact O-CB 3.47Å; E121-L129 WeakPolarHBondContact CA-O 3.44Å; E121-L129 PolarHBondContact N-O 3.38Å; K122-L129 PolarHBondContact O-N 3.27Å; F124-L129 HydrophobicContact CB-CD1 3.86Å; F124-L129 HydrophobicContact CB-CD2 3.91Å; F124-L129 HydrophobicContact CB-CG 3.63Å; F124-L129 HydrophobicContact CD1-CD1 4.4Å; F124-L129 HydrophobicContact CD1-CD2 3.84Å; F124-L129 HydrophobicContact CD1-CG 4.39Å; F124-L129 HydrophobicContact CD2-CD1 4.4Å; F124-L129 HydrophobicContact CG-CD1 3.99Å; F124-L129 HydrophobicContact CG-CD2 4.11Å; F124-L129 HydrophobicContact CG-CG 4.14Å; L129-V131 HydrophobicContact CB-CG2 4.41Å
130H94.3Very high93.5Very high18 Ų1848.8 Ų48.88%0.08328%0.28CS..EExtended strand (participates in β ladder)trans-110.4126168.2172.663.9000108.8H27 Q29 Q63 D120 V128H27-H130 PolarHBondContact O-NE2 2.72Å; Q29-H130 PolarHBondContact NE2-ND1 3.16Å; Q63-H130 HydrophobicContact CB-CB 4.49Å; Q63-H130 PolarHBondContact N-O 2.96Å; Q63-H130 PolarHBondContact O-N 2.89Å; Q63-H130 PolarHBondContact OE1-CD2 3.02Å; D120-H130 IonicContact OD1-ND1 3.15Å; V128-H130 PolarHBondContact O-N 3.32Å
131V95.2Very high93.5Very high0 Ų054.2 Ų54.20%031%0.305CS..EExtended strand (participates in β ladder)trans-126.2116.4-169.2-174.90000110.8L60 M61 V62 K116 M119 D120 L129L60-V131 HydrophobicContact CB-CG1 4.18Å; L60-V131 HydrophobicContact CD1-CG1 3.92Å; L60-V131 HydrophobicContact CG-CG1 4.46Å; M61-V131 WeakPolarHBondContact O-CA 3.31Å; V62-V131 HydrophobicContact CG1-CG2 4.24Å; V62-V131 HydrophobicContact CG2-CG1 4.37Å; V62-V131 HydrophobicContact CG2-CG2 4.23Å; K116-V131 HydrophobicContact CB-CG1 4.28Å; K116-V131 WeakPolarHBondContact CE-O 3.09Å; K116-V131 HydrophobicContact CG-CB 4.48Å; K116-V131 HydrophobicContact CG-CG1 4Å; K116-V131 PolarHBondContact NZ-O 2.9Å; M119-V131 HydrophobicContact CB-CG2 3.81Å; D120-V131 HydrophobicContact CB-CB 4.26Å; D120-V131 PolarHBondContact OD1-N 3.19Å; L129-V131 HydrophobicContact CB-CG2 4.41Å
132C94.4Very high93.5Very high1 Ų151.4 Ų51.41%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-115.8159.417957.20000112.2L60 M61L60-C132 WeakPolarHBondContact CA-O 3.34Å; M61-C132 WeakPolarHBondContact CE-SG 3.48Å; M61-C132 PolarHBondContact N-O 2.94Å; M61-C132 PolarHBondContact O-N 3.29Å
133Y95.7Very high93.5Very high7 Ų750.8 Ų50.83%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-79.8152.1164.9-66.4-64.2000108.8H26 Y51 L55 E56 S57 L60 R113 K116H26-Y133 PolarHBondContact NE2-O 3.17Å; Y51-Y133 AromaticContact CD1-CD2 3.52Å; Y51-Y133 HydrophobicContact CD1-CD2 3.52Å; Y51-Y133 AromaticContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD1-CE2 3.82Å; Y51-Y133 HydrophobicContact CD2-CE2 4.35Å; Y51-Y133 AromaticContact CE1-CD2 3.53Å; Y51-Y133 HydrophobicContact CE1-CD2 3.53Å; Y51-Y133 AromaticContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE1-CE2 3.97Å; Y51-Y133 HydrophobicContact CE2-CE2 4.5Å; Y51-Y133 HydrophobicContact CG-CD2 4.19Å; Y51-Y133 HydrophobicContact CG-CE2 4.01Å; L55-Y133 VanDerWaalsContact O-CB 3.26Å; L55-Y133 WeakPolarHBondContact O-CB 3.19Å; E56-Y133 HydrophobicContact CB-CD2 4.5Å; E56-Y133 HydrophobicContact CB-CE1 4.36Å; E56-Y133 HydrophobicContact CB-CE2 4.25Å; E56-Y133 HydrophobicContact CG-CE2 3.97Å; S57-Y133 WeakPolarHBondContact OG-CA 3.29Å; S57-Y133 VanDerWaalsContact OG-CB 3.31Å; S57-Y133 WeakPolarHBondContact OG-CB 3.46Å; L60-Y133 HydrophobicContact CD2-CD1 3.36Å; L60-Y133 HydrophobicContact CD2-CE1 3.56Å; L60-Y133 HydrophobicContact CD2-CG 4.3Å; R113-Y133 WeakPolarHBondContact CG-OH 3.44Å; K116-Y133 HydrophobicContact CB-CE1 4.29Å; K116-Y133 HydrophobicContact CD-CD2 4.42Å; K116-Y133 HydrophobicContact CD-CE2 3.79Å; K116-Y133 HydrophobicContact CG-CE1 4.35Å; K116-Y133 HydrophobicContact CG-CE2 4.29Å
134V94.8Very high93.5Very high0 Ų054.1 Ų54.10%029%0.292CS..  trans-134.773.3-177.7-128.60000107.6H27 S57 M61 L103 E136 Y137H27-V134 WeakPolarHBondContact NE2-CG1 3.03Å; S57-V134 PolarHBondContact OG-N 3.49Å; M61-V134 HydrophobicContact CB-CG2 3.52Å; L103-V134 HydrophobicContact CD1-CB 4.36Å; L103-V134 HydrophobicContact CD1-CG2 3.78Å; V134-E136 WeakPolarHBondContact CA-OE2 2.81Å; V134-E136 PolarHBondContact O-N 3.31Å; V134-Y137 HydrophobicContact CB-CD2 3.93Å; V134-Y137 HydrophobicContact CG1-CD2 3.54Å; V134-Y137 HydrophobicContact CG1-CE2 3.75Å; V134-Y137 PolarHBondContact O-N 3.37Å
135P93.3Very high93.4Very high30 Ų3057.1 Ų57.120%0.19531%0.308CS..G310 helixtrans-62.9-16.5177.627.4-35.4000113.3Y137 E138P135-Y137 PolarHBondContact O-N 3.04Å; P135-E138 PolarHBondContact O-N 3.31Å
136E91Very high93.3Very high82 Ų8251.8 Ų51.838%0.38329%0.287SS..G310 helixtrans-62.1-27.7176.5-64.965.6-14600112.9Y24 H26 H27 V134Y24-E136 HydrophobicContact CE1-CG 4.29Å; Y24-E136 HydrophobicContact CE2-CG 4.13Å; H26-E136 IonicContact CE1-OE1 3.93Å; H26-E136 PolarHBondContact CE1-OE1 3.47Å; H26-E136 IonicContact CE1-OE2 3.51Å; H26-E136 IonicContact NE2-OE1 3Å; H26-E136 IonicContact NE2-OE2 2.73Å; H27-E136 IonicContact NE2-OE2 2.96Å; V134-E136 WeakPolarHBondContact CA-OE2 2.81Å; V134-E136 PolarHBondContact O-N 3.31Å
137Y90.8Very high93.4Very high93 Ų9351.3 Ų51.337%0.36527%0.265SS..G310 helixtrans-96.72.7-179.8-68-98.5000113.1Y59 L103 V134 P135Y59-Y137 WeakPolarHBondContact CE2-O 3.22Å; Y59-Y137 VanDerWaalsContact CZ-O 3.23Å; L103-Y137 HydrophobicContact CD1-CD2 4.39Å; L103-Y137 HydrophobicContact CD1-CG 4.36Å; L103-Y137 HydrophobicContact CD2-CD1 3.58Å; L103-Y137 HydrophobicContact CD2-CE1 3.91Å; L103-Y137 HydrophobicContact CD2-CG 3.96Å; V134-Y137 HydrophobicContact CB-CD2 3.93Å; V134-Y137 HydrophobicContact CG1-CD2 3.54Å; V134-Y137 HydrophobicContact CG1-CE2 3.75Å; V134-Y137 PolarHBondContact O-N 3.37Å; P135-Y137 PolarHBondContact O-N 3.04Å
138E92.2Very high93.5Very high22 Ų2254.3 Ų54.310%0.10327%0.272CS..  trans-78132.6176.8-77.5-16315600113S57 R58 Y59 P135 D142 T143 K146S57-E138 WeakPolarHBondContact CA-OE1 3.26Å; S57-E138 WeakPolarHBondContact CB-OE1 3.41Å; R58-E138 PolarHBondContact N-OE1 3.39Å; Y59-E138 HydrophobicContact CD2-CG 3.73Å; Y59-E138 HydrophobicContact CE2-CG 4.09Å; P135-E138 PolarHBondContact O-N 3.31Å; E138-D142 HydrophobicContact CB-CB 4.26Å; E138-D142 HydrophobicContact CG-CB 4.38Å; E138-T143 HydrophobicContact CB-CG2 4.01Å; E138-T143 WeakPolarHBondContact OE2-CG2 3.36Å; E138-K146 IonicContact OE1-NZ 3.73Å; E138-K146 WeakPolarHBondContact OE2-CD 3.44Å; E138-K146 WeakPolarHBondContact OE2-CE 3.41Å; E138-K146 IonicContact OE2-NZ 2.67Å; E138-K146 PolarHBondContact OE2-NZ 3.01Å
139T94.3Very high93.4Very high63 Ų6354.2 Ų54.239%0.38727%0.269SS..  trans-73.2162.8173.270.70000112E141 D142 T143T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-N 2.67Å; T139-D142 WeakPolarHBondContact CB-OD2 3.46Å; T139-D142 WeakPolarHBondContact CG2-OD2 3.44Å; T139-D142 PolarHBondContact N-OD2 2.68Å; T139-D142 PolarHBondContact O-N 3.25Å; T139-D142 VanDerWaalsContact OG1-CG 3.23Å; T139-D142 PolarHBondContact OG1-N 3.02Å; T139-D142 PolarHBondContact OG1-OD2 2.61Å; T139-T143 PolarHBondContact O-N 3.45Å; T139-T143 PolarHBondContact O-OG1 3.27Å
140V94.6Very high93.3Very high129 Ų12957.2 Ų57.278%0.78228%0.28SS*.Hα-helixtrans-59.8-28.2171.2-177.10000111.3T143 R144V140-T143 WeakPolarHBondContact CA-OG1 3.07Å; V140-T143 PolarHBondContact O-OG1 2.68Å; V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 PolarHBondContact O-N 3.05Å; V140-R144 VanDerWaalsContact O-N 3.11Å
141E93.3Very high93.3Very high145 Ų14563.2 Ų63.268%0.67830%0.302SS*.Hα-helixtrans-75.6-42.8176.1-55.6-161.3160.300112.4T139 T143 R144 L145T139-E141 PolarHBondContact O-N 3.41Å; T139-E141 PolarHBondContact OG1-N 2.67Å; E141-T143 PolarHBondContact O-N 3.34Å; E141-R144 WeakPolarHBondContact O-CB 3.46Å; E141-R144 PolarHBondContact O-N 2.99Å; E141-L145 WeakPolarHBondContact O-CB 3.1Å; E141-L145 PolarHBondContact O-N 2.81Å
142D92.3Very high93.1Very high7 Ų765.4 Ų65.44%0.03732%0.317CS..Hα-helixtrans-58.1-48.4174-71.8-58.7000111R58 E138 T139 R144 L145 K146R58-D142 VanDerWaalsContact CD-OD1 3.3Å; R58-D142 WeakPolarHBondContact CD-OD1 3.36Å; R58-D142 IonicContact CZ-OD1 2.68Å; R58-D142 IonicContact NE-OD1 2.69Å; R58-D142 IonicContact NH1-OD1 3.13Å; R58-D142 PolarHBondContact NH1-OD1 3Å; E138-D142 HydrophobicContact CB-CB 4.26Å; E138-D142 HydrophobicContact CG-CB 4.38Å; T139-D142 WeakPolarHBondContact CB-OD2 3.46Å; T139-D142 WeakPolarHBondContact CG2-OD2 3.44Å; T139-D142 PolarHBondContact N-OD2 2.68Å; T139-D142 PolarHBondContact O-N 3.25Å; T139-D142 VanDerWaalsContact OG1-CG 3.23Å; T139-D142 PolarHBondContact OG1-N 3.02Å; T139-D142 PolarHBondContact OG1-OD2 2.61Å; D142-R144 VanDerWaalsContact C-N 3.34Å; D142-R144 PolarHBondContact O-N 3.47Å; D142-L145 PolarHBondContact O-N 2.66Å; D142-K146 WeakPolarHBondContact O-CB 3.07Å; D142-K146 PolarHBondContact O-N 3.28Å
143T92.9Very high92.9Very high50 Ų5067.2 Ų67.231%0.30732%0.324SS..Hα-helixtrans-63.9-37.6178.155.40000112.2E138 T139 V140 E141 L147E138-T143 HydrophobicContact CB-CG2 4.01Å; E138-T143 WeakPolarHBondContact OE2-CG2 3.36Å; T139-T143 PolarHBondContact O-N 3.45Å; T139-T143 PolarHBondContact O-OG1 3.27Å; V140-T143 WeakPolarHBondContact CA-OG1 3.07Å; V140-T143 PolarHBondContact O-OG1 2.68Å; E141-T143 PolarHBondContact O-N 3.34Å; T143-L147 WeakPolarHBondContact O-CB 3.31Å; T143-L147 VanDerWaalsContact O-CG 3.29Å; T143-L147 WeakPolarHBondContact O-CG 3.5Å; T143-L147 PolarHBondContact O-N 3.31Å
144R94.3Very high92.8Very high163 Ų16370.9 Ų70.962%0.61534%0.343SS*.Hα-helixtrans-62.2-46.4173.3-171.8-178.972.7112.6-2.4111.9V140 E141 D142 L147 Q148V140-R144 WeakPolarHBondContact O-CB 3.34Å; V140-R144 PolarHBondContact O-N 3.05Å; V140-R144 VanDerWaalsContact O-N 3.11Å; E141-R144 WeakPolarHBondContact O-CB 3.46Å; E141-R144 PolarHBondContact O-N 2.99Å; D142-R144 VanDerWaalsContact C-N 3.34Å; D142-R144 PolarHBondContact O-N 3.47Å; R144-L147 PolarHBondContact O-N 2.84Å; R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 PolarHBondContact O-N 2.82Å
145L92.8Very high92.7Very high74 Ų7472.8 Ų72.839%0.38736%0.359SS..Hα-helixtrans-65.1-49178.618061.6000111.4E141 D142 L147 Q148 D149E141-L145 WeakPolarHBondContact O-CB 3.1Å; E141-L145 PolarHBondContact O-N 2.81Å; D142-L145 PolarHBondContact O-N 2.66Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 2.71Å; L145-Q148 CarbonylContact O-C 3.56Å; L145-Q148 WeakPolarHBondContact O-CA 3.39Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 3.23Å; L145-D149 PolarHBondContact O-N 3.34Å
146K92.4Very high92.6Very high12 Ų1278.3 Ų78.35%0.05238%0.376CS..Hα-helixtrans-49.9-45.1173.1169.5-177.2180-1780112.6I53 N54 E56 L109 E138 D142 R150I53-K146 WeakPolarHBondContact O-CE 3.12Å; I53-K146 PolarHBondContact O-NZ 3.44Å; N54-K146 PolarHBondContact O-NZ 3.12Å; E56-K146 WeakPolarHBondContact O-CE 3.48Å; E56-K146 PolarHBondContact O-NZ 3.29Å; L109-K146 HydrophobicContact CD2-CG 4.19Å; E138-K146 IonicContact OE1-NZ 3.73Å; E138-K146 WeakPolarHBondContact OE2-CD 3.44Å; E138-K146 WeakPolarHBondContact OE2-CE 3.41Å; E138-K146 IonicContact OE2-NZ 2.67Å; E138-K146 PolarHBondContact OE2-NZ 3.01Å; D142-K146 WeakPolarHBondContact O-CB 3.07Å; D142-K146 PolarHBondContact O-N 3.28Å; K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 PolarHBondContact O-N 2.94Å; K146-R150 VanDerWaalsContact O-N 3.11Å
147L93.3Very high92.5Very high74 Ų7475.3 Ų75.339%0.38737%0.365SS..Hα-helixtrans-72.1-36.5175.2-69.9173.9000112.8I53 T143 R144 L145 R150 R151I53-L147 HydrophobicContact CG2-CD2 4.17Å; T143-L147 WeakPolarHBondContact O-CB 3.31Å; T143-L147 VanDerWaalsContact O-CG 3.29Å; T143-L147 WeakPolarHBondContact O-CG 3.5Å; T143-L147 PolarHBondContact O-N 3.31Å; R144-L147 PolarHBondContact O-N 2.84Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 2.71Å; L147-R150 PolarHBondContact O-N 3.24Å; L147-R151 WeakPolarHBondContact O-CG 3.24Å; L147-R151 PolarHBondContact O-N 3.44Å
148Q93.7Very high92.6Very high88 Ų8873.6 Ų73.641%0.41137%0.37SS..Hα-helixtrans-66.1-43.6175.8178.7166.3-28.600112.6R144 L145 R150 R151 S152R144-Q148 WeakPolarHBondContact O-CB 3.25Å; R144-Q148 PolarHBondContact O-N 2.82Å; L145-Q148 CarbonylContact O-C 3.56Å; L145-Q148 WeakPolarHBondContact O-CA 3.39Å; L145-Q148 WeakPolarHBondContact O-CB 3.35Å; L145-Q148 PolarHBondContact O-N 3.23Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.03Å; Q148-R151 PolarHBondContact O-N 3.46Å; Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.9Å; Q148-S152 PolarHBondContact O-OG 3.18Å
149D91.9Very high92.6Very high81 Ų8180 Ų8043%0.43339%0.393SS..Hα-helixtrans-60.3-43.5172.4-93.4-6.2000111.1L145 S152 Y153L145-D149 PolarHBondContact O-N 3.34Å; D149-S152 PolarHBondContact O-N 3.45Å; D149-Y153 WeakPolarHBondContact O-CB 3.3Å; D149-Y153 PolarHBondContact O-N 3Å
150R91.5Very high92.3Very high62 Ų6279.8 Ų79.823%0.23439%0.394CS..Hα-helixtrans-63.6-44.8177.2-179.356.6-178.7163.53.6112.3I53 K146 L147 Q148 S152 Y153 I154I53-R150 HydrophobicContact CD1-CG 3.76Å; I53-R150 HydrophobicContact CG1-CG 4.06Å; I53-R150 HydrophobicContact CG2-CB 4.5Å; I53-R150 HydrophobicContact CG2-CG 4.35Å; K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 PolarHBondContact O-N 2.94Å; K146-R150 VanDerWaalsContact O-N 3.11Å; L147-R150 PolarHBondContact O-N 3.24Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.03Å; R150-S152 VanDerWaalsContact C-N 3.33Å; R150-S152 PolarHBondContact O-N 2.88Å; R150-Y153 PolarHBondContact O-N 3.17Å; R150-I154 HydrophobicContact CG-CD1 4.05Å; R150-I154 VanDerWaalsContact O-CG1 3.27Å; R150-I154 WeakPolarHBondContact O-CG1 3.47Å; R150-I154 PolarHBondContact O-N 2.98Å
151R94Very high92Very high145 Ų14581.8 Ų81.855%0.54739%0.387SS..Hα-helixtrans-58.1-45.8172.6-73.2-172.4-59.6-100.23.2111.1L147 Q148 I154 A155L147-R151 WeakPolarHBondContact O-CG 3.24Å; L147-R151 PolarHBondContact O-N 3.44Å; Q148-R151 PolarHBondContact O-N 3.46Å; R151-I154 PolarHBondContact O-N 2.87Å; R151-A155 WeakPolarHBondContact O-CB 3.36Å; R151-A155 PolarHBondContact O-N 3.4Å
152S92.3Very high91.9Very high45 Ų4576.7 Ų76.732%0.31537%0.37SS..Hα-helixtrans-63.3-42.9-179.8-58.10000112.3Q148 D149 R150 A155 R156Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.9Å; Q148-S152 PolarHBondContact O-OG 3.18Å; D149-S152 PolarHBondContact O-N 3.45Å; R150-S152 VanDerWaalsContact C-N 3.33Å; R150-S152 PolarHBondContact O-N 2.88Å; S152-A155 PolarHBondContact O-N 3.01Å; S152-R156 WeakPolarHBondContact O-CG 3.27Å; S152-R156 PolarHBondContact O-N 3.42Å
153Y90.7Very high91.8Very high40 Ų4083 Ų8316%0.15740%0.397CS..Hα-helixtrans-63-45.9173.5178.1-92.8000111.8D149 R150 A155 R156 A157 G241D149-Y153 WeakPolarHBondContact O-CB 3.3Å; D149-Y153 PolarHBondContact O-N 3Å; R150-Y153 PolarHBondContact O-N 3.17Å; Y153-A155 VanDerWaalsContact C-N 3.33Å; Y153-A155 PolarHBondContact O-N 2.86Å; Y153-R156 PolarHBondContact O-N 3.13Å; Y153-A157 HydrophobicContact CE1-CB 4.19Å; Y153-A157 VanDerWaalsContact O-CB 3.32Å; Y153-A157 WeakPolarHBondContact O-CB 3.29Å; Y153-A157 PolarHBondContact O-N 3.46Å; Y153-G241 PolarHBondContact OH-N 3.27Å
154I91.7Very high91.6Very high83 Ų8386.6 Ų86.643%0.42641%0.411SS..Hα-helixtrans-58.4-46176.7-68.6163.9000110.3R150 R151 R156 A157 A158R150-I154 HydrophobicContact CG-CD1 4.05Å; R150-I154 VanDerWaalsContact O-CG1 3.27Å; R150-I154 WeakPolarHBondContact O-CG1 3.47Å; R150-I154 PolarHBondContact O-N 2.98Å; R151-I154 PolarHBondContact O-N 2.87Å; I154-R156 PolarHBondContact O-N 3.05Å; I154-A157 PolarHBondContact O-N 3.42Å; I154-A158 WeakPolarHBondContact O-CB 3.35Å; I154-A158 PolarHBondContact O-N 2.9Å
155A93.5Very high91.2Very high40 Ų4086.8 Ų86.833%0.33141%0.412SS..Hα-helixtrans-63.9-36.617800000112.9R151 S152 Y153 R159R151-A155 WeakPolarHBondContact O-CB 3.36Å; R151-A155 PolarHBondContact O-N 3.4Å; S152-A155 PolarHBondContact O-N 3.01Å; Y153-A155 VanDerWaalsContact C-N 3.33Å; Y153-A155 PolarHBondContact O-N 2.86Å; A155-R159 WeakPolarHBondContact O-CG 3.38Å; A155-R159 PolarHBondContact O-N 3.05Å; A155-R159 PolarHBondContact O-NE 3.1Å
156R91.6Very high91Very high147 Ų14788.4 Ų88.456%0.55542%0.417SS*.Hα-helixtrans-66.4-48.2171.4-70.8-167.4-58.8-100.87.3111.5S152 Y153 I154 A158 R159 S160S152-R156 WeakPolarHBondContact O-CG 3.27Å; S152-R156 PolarHBondContact O-N 3.42Å; Y153-R156 PolarHBondContact O-N 3.13Å; I154-R156 PolarHBondContact O-N 3.05Å; R156-A158 PolarHBondContact O-N 3.36Å; R156-R159 PolarHBondContact O-N 3.46Å; R156-S160 PolarHBondContact O-N 3.16Å; R156-S160 PolarHBondContact O-OG 3.49Å
157A89.2Confident90.5Very high18 Ų1895 Ų9515%0.14945%0.446CS..Hα-helixtrans-68-30.9-177.300000113.8Y153 I154 S160 R161Y153-A157 HydrophobicContact CE1-CB 4.19Å; Y153-A157 VanDerWaalsContact O-CB 3.32Å; Y153-A157 WeakPolarHBondContact O-CB 3.29Å; Y153-A157 PolarHBondContact O-N 3.46Å; I154-A157 PolarHBondContact O-N 3.42Å; A157-S160 WeakPolarHBondContact CA-OG 3.38Å; A157-S160 PolarHBondContact O-OG 3.39Å; A157-R161 WeakPolarHBondContact O-CB 3.4Å; A157-R161 WeakPolarHBondContact O-CD 3.22Å; A157-R161 WeakPolarHBondContact O-CG 3.38Å; A157-R161 PolarHBondContact O-N 3.11Å
158A91.9Very high89.8Confident57 Ų5795.1 Ų95.147%0.47145%0.45SS..Hα-helixtrans-67.8-48.217200000111I154 R156 S160 R161 A162I154-A158 WeakPolarHBondContact O-CB 3.35Å; I154-A158 PolarHBondContact O-N 2.9Å; R156-A158 PolarHBondContact O-N 3.36Å; A158-S160 PolarHBondContact O-N 3.5Å; A158-R161 PolarHBondContact O-N 2.91Å; A158-A162 PolarHBondContact O-N 3.04Å
159R92.8Very high89Confident157 Ų15795.5 Ų95.559%0.59245%0.452SS*.Hα-helixtrans-65.3-36.3178.7-72.9177.4-69.4-163.52.4113A155 R156 K163A155-R159 WeakPolarHBondContact O-CG 3.38Å; A155-R159 PolarHBondContact O-N 3.05Å; A155-R159 PolarHBondContact O-NE 3.1Å; R156-R159 PolarHBondContact O-N 3.46Å; R159-K163 WeakPolarHBondContact O-CG 3.41Å; R159-K163 PolarHBondContact O-N 3.13Å; R159-K163 VanDerWaalsContact O-N 3.14Å
160S88.1Confident88.1Confident58 Ų5894.2 Ų94.241%0.40645%0.452SS..Hα-helixtrans-70.2-33.9175630000112.8R156 A157 A158 Q164R156-S160 PolarHBondContact O-N 3.16Å; R156-S160 PolarHBondContact O-OG 3.49Å; A157-S160 WeakPolarHBondContact CA-OG 3.38Å; A157-S160 PolarHBondContact O-OG 3.39Å; A158-S160 PolarHBondContact O-N 3.5Å; S160-Q164 VanDerWaalsContact O-CG 3.29Å; S160-Q164 WeakPolarHBondContact O-CG 3.38Å; S160-Q164 PolarHBondContact O-N 2.96Å; S160-Q164 VanDerWaalsContact O-N 3.09Å
161R89.1Confident87Confident171 Ų17195.3 Ų95.365%0.64547%0.466SS*.Hα-helixtrans-69.2-39173.3-74.1171.6-176.5-1692.2113A157 A158 Q164 R165A157-R161 WeakPolarHBondContact O-CB 3.4Å; A157-R161 WeakPolarHBondContact O-CD 3.22Å; A157-R161 WeakPolarHBondContact O-CG 3.38Å; A157-R161 PolarHBondContact O-N 3.11Å; A158-R161 PolarHBondContact O-N 2.91Å; R161-Q164 PolarHBondContact O-N 3.38Å; R161-R165 PolarHBondContact O-N 2.76Å; R161-R165 VanDerWaalsContact O-N 3.09Å
162A90.4Very high85.4Confident39 Ų3994.3 Ų94.332%0.32247%0.467SS..Hα-helixtrans-58.6-53.5172.400000110.7A158 Q164 R165 E166A158-A162 PolarHBondContact O-N 3.04Å; A162-Q164 PolarHBondContact O-N 2.92Å; A162-R165 WeakPolarHBondContact O-CB 3.23Å; A162-R165 PolarHBondContact O-N 2.67Å; A162-E166 WeakPolarHBondContact O-CG 3.43Å; A162-E166 PolarHBondContact O-N 3Å
163K90.3Very high83.8Confident138 Ų13898.3 Ų98.360%0.648%0.481SS*.Hα-helixtrans-62.7-13.3175.7-68.4-170.2174.9-161.60115.7R159 E166 K167R159-K163 WeakPolarHBondContact O-CG 3.41Å; R159-K163 PolarHBondContact O-N 3.13Å; R159-K163 VanDerWaalsContact O-N 3.14Å; K163-E166 WeakPolarHBondContact CA-OE2 3.46Å; K163-K167 WeakPolarHBondContact O-CD 3.21Å; K163-K167 VanDerWaalsContact O-CG 3.27Å; K163-K167 WeakPolarHBondContact O-CG 3.45Å
164Q87.4Confident82.2Confident126 Ų126100.3 Ų100.359%0.58950%0.501SS*.Hα-helixtrans-86.3-38.8170.6-79.6172.2-10.500111.5S160 R161 A162 K167 T168S160-Q164 VanDerWaalsContact O-CG 3.29Å; S160-Q164 WeakPolarHBondContact O-CG 3.38Å; S160-Q164 PolarHBondContact O-N 2.96Å; S160-Q164 VanDerWaalsContact O-N 3.09Å; R161-Q164 PolarHBondContact O-N 3.38Å; A162-Q164 PolarHBondContact O-N 2.92Å; Q164-K167 PolarHBondContact O-N 3.41Å; Q164-T168 PolarHBondContact O-N 2.66Å; Q164-T168 PolarHBondContact O-OG1 2.95Å
165R87.4Confident80.5Confident168 Ų168101.7 Ų101.763%0.63451%0.508SS*.Hα-helixtrans-63.7-52.9174.7-75179.8177.5-172.5-5.7112R161 A162 K167 T168 E169R161-R165 PolarHBondContact O-N 2.76Å; R161-R165 VanDerWaalsContact O-N 3.09Å; A162-R165 WeakPolarHBondContact O-CB 3.23Å; A162-R165 PolarHBondContact O-N 2.67Å; R165-K167 PolarHBondContact O-N 2.73Å; R165-T168 WeakPolarHBondContact CA-OG1 3.5Å; R165-T168 PolarHBondContact O-N 2.68Å; R165-T168 PolarHBondContact O-OG1 3.12Å; R165-E169 VanDerWaalsContact C-OE2 3.31Å; R165-E169 WeakPolarHBondContact CB-OE1 3.19Å; R165-E169 WeakPolarHBondContact O-CB 3.5Å; R165-E169 VanDerWaalsContact O-CD 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.27Å; R165-E169 PolarHBondContact O-N 3.01Å
166E86.8Confident78.7Confident107 Ų107105 Ų10550%0.552%0.524SS..Hα-helixtrans-48.8-40.1175-67.2155.9-153.200111.5A162 K163 E169 A170A162-E166 WeakPolarHBondContact O-CG 3.43Å; A162-E166 PolarHBondContact O-N 3Å; K163-E166 WeakPolarHBondContact CA-OE2 3.46Å; E166-E169 PolarHBondContact N-OE2 3.32Å; E166-A170 VanDerWaalsContact O-CB 3.28Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.41Å
167K83.4Confident77Confident150 Ų150105.1 Ų105.165%0.65254%0.535SS*.Hα-helixtrans-74.9-39.2177.8-73.9-176.5178.9-161.50113.7K163 Q164 R165 T171K163-K167 WeakPolarHBondContact O-CD 3.21Å; K163-K167 VanDerWaalsContact O-CG 3.27Å; K163-K167 WeakPolarHBondContact O-CG 3.45Å; Q164-K167 PolarHBondContact O-N 3.41Å; R165-K167 PolarHBondContact O-N 2.73Å; K167-T171 WeakPolarHBondContact O-CB 3.47Å; K167-T171 PolarHBondContact O-N 3.44Å; K167-T171 PolarHBondContact O-OG1 3.33Å
168T78.4Confident75.2Confident78 Ų78108.3 Ų108.348%0.47956%0.556SS.*Hα-helixtrans-68.4-37.1174.944.70000112Q164 R165 T171 Q172Q164-T168 PolarHBondContact O-N 2.66Å; Q164-T168 PolarHBondContact O-OG1 2.95Å; R165-T168 WeakPolarHBondContact CA-OG1 3.5Å; R165-T168 PolarHBondContact O-N 2.68Å; R165-T168 PolarHBondContact O-OG1 3.12Å; T168-T171 PolarHBondContact O-N 3.35Å; T168-Q172 WeakPolarHBondContact O-CG 3.35Å; T168-Q172 PolarHBondContact O-N 2.9Å
169E77.5Confident73Confident96 Ų96113.8 Ų113.845%0.44957%0.572SS.*Hα-helixtrans-66.5-53.3177.6-72.1146-164.700109.9R165 E166 T171 Q172 E173R165-E169 VanDerWaalsContact C-OE2 3.31Å; R165-E169 WeakPolarHBondContact CB-OE1 3.19Å; R165-E169 WeakPolarHBondContact O-CB 3.5Å; R165-E169 VanDerWaalsContact O-CD 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.27Å; R165-E169 PolarHBondContact O-N 3.01Å; E166-E169 PolarHBondContact N-OE2 3.32Å; E169-T171 VanDerWaalsContact C-N 3.25Å; E169-T171 PolarHBondContact O-N 3.12Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.25Å; E169-Q172 PolarHBondContact O-N 2.94Å; E169-E173 PolarHBondContact O-N 3.09Å
170A71.8Confident70.5Confident53 Ų53110 Ų11044%0.43858%0.575SS.*Hα-helixtrans-61.5-27.9174.600000114.2E166 S174E166-A170 VanDerWaalsContact O-CB 3.28Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.41Å; A170-S174 VanDerWaalsContact O-CB 3.27Å; A170-S174 WeakPolarHBondContact O-CB 3.35Å; A170-S174 PolarHBondContact O-N 3.43Å; A170-S174 VanDerWaalsContact O-N 3.11Å
171T68.3Low68.2Low85 Ų85113.1 Ų113.152%0.52159%0.594SS.*Hα-helixtrans-72.9-34173-55.30000111.7K167 T168 E169 L175K167-T171 WeakPolarHBondContact O-CB 3.47Å; K167-T171 PolarHBondContact O-N 3.44Å; K167-T171 PolarHBondContact O-OG1 3.33Å; T168-T171 PolarHBondContact O-N 3.35Å; E169-T171 VanDerWaalsContact C-N 3.25Å; E169-T171 PolarHBondContact O-N 3.12Å; T171-L175 HydrophobicContact CG2-CD1 4.49Å; T171-L175 WeakPolarHBondContact O-CG 3.4Å; T171-L175 PolarHBondContact O-N 3.35Å
172Q60.7Low65.8Low125 Ų125112 Ų11258%0.58461%0.605SS**Hα-helixtrans-72.8-43.2175.6-74.4171.6-1000111.4T168 E169 S174 L175 V176T168-Q172 WeakPolarHBondContact O-CG 3.35Å; T168-Q172 PolarHBondContact O-N 2.9Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.25Å; E169-Q172 PolarHBondContact O-N 2.94Å; Q172-S174 VanDerWaalsContact C-N 3.32Å; Q172-S174 PolarHBondContact O-N 3.16Å; Q172-L175 PolarHBondContact O-N 3.33Å; Q172-V176 WeakPolarHBondContact O-CG2 3.32Å; Q172-V176 PolarHBondContact O-N 3.34Å
173E58.5Low63.3Low129 Ų129115.2 Ų115.260%0.60363%0.626SS**Hα-helixtrans-58.7-43173.7-68.9172.7171.500111.8E169 L175 V176 L177E169-E173 PolarHBondContact O-N 3.09Å; E173-L175 VanDerWaalsContact C-N 3.32Å; E173-L175 PolarHBondContact O-N 3.41Å; E173-V176 PolarHBondContact O-N 2.94Å; E173-L177 WeakPolarHBondContact O-CG 3.4Å; E173-L177 PolarHBondContact O-N 3.24Å; E173-L177 VanDerWaalsContact O-N 3.12Å
174S57.2Low60.9Low82 Ų82114 Ų11457%0.57363%0.634SS**Hα-helixtrans-61.8-35.6175.6-173.90000113.4A170 Q172A170-S174 VanDerWaalsContact O-CB 3.27Å; A170-S174 WeakPolarHBondContact O-CB 3.35Å; A170-S174 PolarHBondContact O-N 3.43Å; A170-S174 VanDerWaalsContact O-N 3.11Å; Q172-S174 VanDerWaalsContact C-N 3.32Å; Q172-S174 PolarHBondContact O-N 3.16Å
175L56.3Low58.5Low111 Ų111113.8 Ų113.858%0.58164%0.638SS**Hα-helixtrans-73.6-43175.1-74.9165.2000112.1T171 Q172 E173 L177 S178T171-L175 HydrophobicContact CG2-CD1 4.49Å; T171-L175 WeakPolarHBondContact O-CG 3.4Å; T171-L175 PolarHBondContact O-N 3.35Å; Q172-L175 PolarHBondContact O-N 3.33Å; E173-L175 VanDerWaalsContact C-N 3.32Å; E173-L175 PolarHBondContact O-N 3.41Å; L175-L177 PolarHBondContact O-N 3.41Å; L175-S178 PolarHBondContact O-N 3.2Å; L175-S178 PolarHBondContact O-OG 3.12Å
176V55.4Low56.3Low109 Ų109114 Ų11466%0.66164%0.643SS**Hα-helixtrans-61.9-32.4179.3170.30000112.1Q172 E173 S178Q172-V176 WeakPolarHBondContact O-CG2 3.32Å; Q172-V176 PolarHBondContact O-N 3.34Å; E173-V176 PolarHBondContact O-N 2.94Å; V176-S178 PolarHBondContact O-N 3.04Å
177L55.2Low53.8Low150 Ų150116.8 Ų116.879%0.78566%0.66SS**THydrogen-bonded Turntrans-71-7.1174.5-71.4171000114.4E173 L175E173-L177 WeakPolarHBondContact O-CG 3.4Å; E173-L177 PolarHBondContact O-N 3.24Å; E173-L177 VanDerWaalsContact O-N 3.12Å; L175-L177 PolarHBondContact O-N 3.41Å
178S51.3Low51.4Low85 Ų85114.7 Ų114.759%0.59466%0.664SS**THydrogen-bonded Turntrans-100.6-6.6-179.269.50000115.2L175 V176L175-S178 PolarHBondContact O-N 3.2Å; L175-S178 PolarHBondContact O-OG 3.12Å; V176-S178 PolarHBondContact O-N 3.04Å
179E46.3Very low49Very low172 Ų172117.3 Ų117.380%0.80468%0.68SS**  trans-106.432.3-178.9-63.2-167.7153.300113.4P181E179-P181 WeakPolarHBondContact O-CD 3.26Å
180A41.1Very low46.6Very low78 Ų78117.6 Ų117.665%0.64569%0.692SS**PPolyproline II helixtrans-91.4117.4175.400000111.8T182A180-T182 PolarHBondContact O-N 3.28Å
181P39.4Very low44.7Very low124 Ų124126.3 Ų126.381%0.80571%0.714SS**PPolyproline II helixtrans-79.5117.5176.830.7-33.1000111.6E179 S183E179-P181 WeakPolarHBondContact O-CD 3.26Å; P181-S183 PolarHBondContact O-N 2.82Å
182T38.1Very low42.8Very low146 Ų146125 Ų12590%0.89672%0.718SS**PPolyproline II helixtrans-75.8119.3179.2-56.60000112.6A180A180-T182 PolarHBondContact O-N 3.28Å
183S37.7Very low41.6Very low108 Ų108126.7 Ų126.776%0.75573%0.729SS**  trans-152.9124.916457.80000113.9P181P181-S183 PolarHBondContact O-N 2.82Å
184S41Very low40.2Very low111 Ų111126.4 Ų126.478%0.77674%0.736SS**  trans55.4109.5165.2-152.80000117.8
185D35.9Very low39Very low123 Ų123127.6 Ų127.666%0.65875%0.745SS**  57.1123.263.3-160.543.3000111.4
186K42.6Very low37.9Very low173 Ų173130.7 Ų130.775%0.75275%0.749SS**  cis-124.6-161.328.5-72.5175.8179.4-179.30111.6
187I34.7Very low36.9Very low165 Ų165131.3 Ų131.385%0.84675%0.749SS**  cis-147.2157.426.9-68175.5000111.7
188S31.2Very low36Very low105 Ų105130.6 Ų130.673%0.73474%0.741SS**  trans-79.9168.1-171.5-31.10000117.4
189T28.3Very low35.1Very low133 Ų133133 Ų13382%0.81675%0.747SS**  -177.3125.5119.4-77.20000113.4
190S28.7Very low34.5Very low102 Ų102130.6 Ų130.671%0.71375%0.745SS**  trans56.2131.3157.8-160.60000118.5
191R31.6Very low34Very low236 Ų236130.2 Ų130.289%0.89175%0.748SS**  cis-162.2167.35.5-123.7171.4173.9165-1.9106.4
192G28.5Very low33.7Very low59 Ų59133.2 Ų133.261%0.60875%0.751SS**  cis133141.3-0.400000111.9
193I34.5Very low33.5Very low159 Ų159130.9 Ų130.982%0.81575%0.747SS**  trans75.9125.7-178-58.5170.6000113.3
194T28.8Very low33.6Very low123 Ų123134.2 Ų134.276%0.75576%0.755SS**  cis-169.5175.7-7.226.10000106.3
195S33.1Very low33.4Very low107 Ų107134.8 Ų134.875%0.74876%0.759SS**  cis171.9165.5-30.1690000105.8
196R32.6Very low33.6Very low176 Ų176136.2 Ų136.266%0.66477%0.766SS**  cis-163.5161.66.7-175.1-172.1170.3-89.2-0.7106.9E198R196-E198 IonicContact CZ-OE1 2.61Å; R196-E198 VanDerWaalsContact NH1-CD 3.33Å; R196-E198 VanDerWaalsContact NH1-CG 3.32Å; R196-E198 IonicContact NH1-OE1 2.68Å; R196-E198 PolarHBondContact NH1-OE1 3.49Å; R196-E198 IonicContact NH2-OE1 3.73Å; R196-E198 PolarHBondContact NH2-OE1 2.97Å
197N34.4Very low33.3Very low123 Ų123133.2 Ų133.266%0.65877%0.767SS**  trans144.9114141.4-73.3-2.7000111.6
198E35.5Very low33.7Very low135 Ų135132.5 Ų132.563%0.63176%0.76SS**  93.3138.385.1-64.5-123.4148.900112.6R196R196-E198 IonicContact CZ-OE1 2.61Å; R196-E198 VanDerWaalsContact NH1-CD 3.33Å; R196-E198 VanDerWaalsContact NH1-CG 3.32Å; R196-E198 IonicContact NH1-OE1 2.68Å; R196-E198 PolarHBondContact NH1-OE1 3.49Å; R196-E198 IonicContact NH2-OE1 3.73Å; R196-E198 PolarHBondContact NH2-OE1 2.97Å
199D33.3Very low34.2Very low135 Ų135138.1 Ų138.172%0.72277%0.766SS**  cis-165.7174.9-20.2-159.88.1000110.6
200T33.4Very low35.4Very low122 Ų122136.7 Ų136.775%0.74876%0.762SS**  trans66.9127.8169.3-50.50000115.5
201G29.8Very low36.4Very low69 Ų69140.6 Ų140.671%0.71177%0.769SS**  118.6151.957.400000107.7
202E34.1Very low37.7Very low187 Ų187138.7 Ų138.787%0.87477%0.767SS**  cis-152.3176.86.8-58-172.8124.400111.8
203A33.9Very low39.3Very low98 Ų98141.1 Ų141.181%0.8177%0.773SS**  trans56.9124.4145.100000123
204L39.6Very low40.6Very low178 Ų178139.5 Ų139.593%0.93277%0.772SS**  trans-69.6152.3168.4-57.1160.6000113.1
205S36Very low42Very low123 Ų123141.2 Ų141.286%0.8678%0.776SS**  -157.3139.8128.1-163.70000111.9
206L40.5Very low43.3Very low152 Ų152141.7 Ų141.780%0.79678%0.777SS**  trans-117.1116.4179.617368.3000109.2
207S36.5Very low44.3Very low110 Ų110141 Ų14177%0.76979%0.785SS**  trans-123.3115.1165.854.50000110
208H43.4Very low45.2Very low150 Ų150140.3 Ų140.369%0.69479%0.787SS**  trans-98.997.3-170.4-166.5-61.4000110.1
209Y41Very low45.8Very low223 Ų223139.8 Ų139.888%0.87580%0.796SS**  trans-123.2125.9167.8-92.3-84.3000110.9E211Y209-E211 PolarHBondContact O-N 3.26Å
210S53.5Low46.5Very low104 Ų104140.7 Ų140.773%0.72780%0.796SS**  trans-88.596.8-175.3-55.40000110.7
211E50.8Low47Very low183 Ų183142.9 Ų142.986%0.85580%0.798SS**  trans-110.7141.1162.4-67.6-165128.200110.1Y209Y209-E211 PolarHBondContact O-N 3.26Å
212F58Low47.5Very low197 Ų197146.5 Ų146.586%0.86480%0.796SS**PPolyproline II helixtrans-65.9144179.3-68.1-93.4000110
213P62.7Low47.4Very low110 Ų110142.3 Ų142.371%0.71479%0.786SS**PPolyproline II helixtrans-58.3130.1175.725.2-33.8000109.3L215P213-L215 PolarHBondContact O-N 2.93Å
214P60.8Low47.4Very low124 Ų124142.7 Ų142.781%0.80578%0.783SS**PPolyproline II helixtrans-60.1133.1178.924.7-33.3000109.2
215L58.4Low47.3Very low159 Ų159143.4 Ų143.483%0.83278%0.779SS**PPolyproline II helixtrans-56.1139.6176.9-67.5176.3000109.5P213 L217P213-L215 PolarHBondContact O-N 2.93Å; L215-L217 PolarHBondContact O-N 3.43Å
216P61.7Low47.2Very low118 Ų118148.3 Ų148.377%0.76678%0.778SS**PPolyproline II helixtrans-57.2134.3-179.324.3-34000109.8
217L52.8Low46.9Very low160 Ų160148.5 Ų148.584%0.83878%0.775SS**PPolyproline II helixtrans-53.1137.9177.6-68.7173000109.6L215L215-L217 PolarHBondContact O-N 3.43Å
218P53.9Low46.7Very low109 Ų109152.9 Ų152.971%0.70878%0.78SS**PPolyproline II helixtrans-56.4140.3179.824.9-34.3000109.2Q220P218-Q220 PolarHBondContact O-N 3.38Å
219P47.8Very low46.4Very low125 Ų125150.4 Ų150.481%0.81278%0.78SS**  trans-51.9108.6-171.6-29.435.6000111.8E221P219-E221 PolarHBondContact O-N 2.82Å
220Q47.8Very low46.1Very low154 Ų154148.3 Ų148.372%0.7278%0.778SS**  trans-67.7104.2177-175.3167.83.100107P218 H222P218-Q220 PolarHBondContact O-N 3.38Å; Q220-H222 PolarHBondContact O-CD2 2.98Å; Q220-H222 PolarHBondContact O-N 2.79Å
221E44Very low45.2Very low168 Ų168154.8 Ų154.879%0.78579%0.786SS**  trans-66.981.6177.5-74.6-161.2-179.600109.9P219 C223P219-E221 PolarHBondContact O-N 2.82Å; E221-C223 PolarHBondContact O-N 2.81Å
222H40.9Very low44.3Very low145 Ų145156.8 Ų156.867%0.67179%0.786SS**  trans-63.380.4154.9-72.1-76.8000107.5Q220 S224Q220-H222 PolarHBondContact O-CD2 2.98Å; Q220-H222 PolarHBondContact O-N 2.79Å; H222-S224 PolarHBondContact O-N 3.39Å
223C32.2Very low43.6Very low98 Ų98155.2 Ų155.266%0.66279%0.786SS**  trans-6075.5164.4-86.70000108.6E221 F225E221-C223 PolarHBondContact O-N 2.81Å; C223-F225 VanDerWaalsContact C-N 3.29Å; C223-F225 PolarHBondContact O-N 3.47Å
224S32.5Very low42.5Very low107 Ų107155.4 Ų155.475%0.74878%0.784SS**  trans-55.1101.4161.548.90000105.9H222 R226H222-S224 PolarHBondContact O-N 3.39Å; S224-R226 PolarHBondContact O-N 2.84Å
225F38.8Very low41.8Very low193 Ų193152.9 Ų152.985%0.84677%0.768SS**  trans-73.476.6-173.1-163-88.1000108C223 Q227C223-F225 VanDerWaalsContact C-N 3.29Å; C223-F225 PolarHBondContact O-N 3.47Å; F225-Q227 VanDerWaalsContact C-N 3.29Å; F225-Q227 PolarHBondContact O-N 3.35Å
226R32.8Very low41.2Very low226 Ų226151.5 Ų151.585%0.85377%0.766SS**  trans-64.592.5-173.1-172.1-179.5-174.2-1744.9107.9S224 K228S224-R226 PolarHBondContact O-N 2.84Å; R226-K228 PolarHBondContact O-N 2.74Å; R226-K228 VanDerWaalsContact O-N 3.15Å
227Q34Very low40.9Very low155 Ų155150.9 Ų150.972%0.72475%0.753SS**  trans-45.9124.8171.1-72.6-175.5-17.900107.3F225 S229F225-Q227 VanDerWaalsContact C-N 3.29Å; F225-Q227 PolarHBondContact O-N 3.35Å; Q227-S229 PolarHBondContact O-N 2.69Å
228K33.6Very low41.2Very low202 Ų202144.8 Ų144.888%0.87872%0.722SS**  trans-80.559.3-172.1-70.6175.5-178.7165.30110.1R226 H230R226-K228 PolarHBondContact O-N 2.74Å; R226-K228 VanDerWaalsContact O-N 3.15Å; K228-H230 PolarHBondContact O-N 2.7Å
229S36.3Very low41.5Very low98 Ų98148.9 Ų148.969%0.68573%0.728SS**  trans-53.5102.4165.2-550000107.9Q227 R231Q227-S229 PolarHBondContact O-N 2.69Å; S229-R231 PolarHBondContact O-N 3.16Å
230H36.2Very low42Very low180 Ų180145.5 Ų145.583%0.83370%0.702SS**  trans16.395.3177.8-53.4-82.3000115.6K228 R232K228-H230 PolarHBondContact O-N 2.7Å; H230-R232 PolarHBondContact O-N 3.36Å
231R33.8Very low42.5Very low239 Ų239139 Ų13990%0.90268%0.676SS**  trans-56.9102.7159.6-94.9-167.3174.1-166.2-0.8107.9S229 L233S229-R231 PolarHBondContact O-N 3.16Å; R231-L233 PolarHBondContact O-N 3.28Å
232R32.6Very low43.2Very low225 Ų225131 Ų13185%0.84964%0.639SS**  trans-51.4113167.6177.6178.8-75.9-153.5-3107.6H230 V234H230-R232 PolarHBondContact O-N 3.36Å; R232-V234 PolarHBondContact O-N 3.04Å
233L43.3Very low43.9Very low165 Ų165127.9 Ų127.986%0.86463%0.627SS**  trans-65.6101.6170.9-75.6167.2000107.2R231 P235R231-L233 PolarHBondContact O-N 3.28Å; L233-P235 WeakPolarHBondContact O-CD 3.4Å
234V39.7Very low44.3Very low114 Ų114127.7 Ų127.769%0.69162%0.616SS**  trans-67.1122.5169.6178.80000106.8R232 T236R232-V234 PolarHBondContact O-N 3.04Å; V234-T236 PolarHBondContact O-N 2.99Å
235P45.2Very low44.7Very low71 Ų71127 Ų12746%0.46160%0.604SS.*  trans-62.5111.3176.8-22.834.7000109.8L233 E237 L243L233-P235 WeakPolarHBondContact O-CD 3.4Å; P235-E237 PolarHBondContact O-N 3.06Å; P235-L243 HydrophobicContact CB-CD2 3.93Å
236T44.7Very low44.5Very low130 Ų130121.1 Ų121.180%0.79859%0.591SS**  trans-73.3100.1173.6-55.40000108.4V234 D238V234-T236 PolarHBondContact O-N 2.99Å; T236-D238 PolarHBondContact O-N 3.11Å
237E55.4Low44.7Very low104 Ų104116.1 Ų116.149%0.48658%0.576SS.*  trans-53.8134.6167.2-67.9-165.6177.900110P235 L243P235-E237 PolarHBondContact O-N 3.06Å; E237-L243 HydrophobicContact CG-CD2 3.6Å; E237-L243 HydrophobicContact CG-CG 3.93Å
238D61.1Low44.6Very low33 Ų33119.5 Ų119.518%0.17658%0.584CS.*  trans-69.6169.4164.879.90.5000110.9R117 T236 M240 G241 T242R117-D238 IonicContact CZ-OD2 2.7Å; R117-D238 IonicContact NH1-OD2 2.69Å; R117-D238 PolarHBondContact NH1-OD2 3.42Å; R117-D238 IonicContact NH2-OD2 3.14Å; R117-D238 PolarHBondContact NH2-OD2 3.43Å; T236-D238 PolarHBondContact O-N 3.11Å; D238-M240 PolarHBondContact O-N 2.83Å; D238-M240 VanDerWaalsContact OD1-C 3.23Å; D238-M240 VanDerWaalsContact OD1-CA 3.25Å; D238-M240 WeakPolarHBondContact OD1-CA 3.45Å; D238-M240 WeakPolarHBondContact OD1-CB 3.19Å; D238-M240 PolarHBondContact OD1-N 3.02Å; D238-G241 PolarHBondContact O-N 3.44Å; D238-G241 PolarHBondContact OD1-N 3.12Å; D238-T242 VanDerWaalsContact CG-CB 3.49Å; D238-T242 PolarHBondContact OD1-N 2.83Å; D238-T242 PolarHBondContact OD1-OG1 3.39Å; D238-T242 WeakPolarHBondContact OD2-CB 3.45Å; D238-T242 PolarHBondContact OD2-OG1 3.35Å
239K60Low44.3Very low194 Ų194116.4 Ų116.484%0.84358%0.576SS**THydrogen-bonded Turntrans-70.910.8178.8-61.3-178.6179.3179.40114
240M56.8Low44.1Very low55 Ų55118 Ų11827%0.27158%0.581SS.*THydrogen-bonded Turntrans-126.2-4-175.5-61-64.4-75.500113.6R113 D238R113-M240 PolarHBondContact NH1-O 3.48Å; D238-M240 PolarHBondContact O-N 2.83Å; D238-M240 VanDerWaalsContact OD1-C 3.23Å; D238-M240 VanDerWaalsContact OD1-CA 3.25Å; D238-M240 WeakPolarHBondContact OD1-CA 3.45Å; D238-M240 WeakPolarHBondContact OD1-CB 3.19Å; D238-M240 PolarHBondContact OD1-N 3.02Å
241G57.8Low43.9Very low16 Ų16118 Ų11817%0.16558%0.582CS.*  trans89.914.8-179.800000115.4T110 Y153 D238 L243T110-G241 WeakPolarHBondContact CG2-O 3.36Å; Y153-G241 PolarHBondContact OH-N 3.27Å; D238-G241 PolarHBondContact O-N 3.44Å; D238-G241 PolarHBondContact OD1-N 3.12Å; G241-L243 PolarHBondContact O-N 2.93Å; G241-L243 VanDerWaalsContact O-N 3.16Å
242T59.8Low43.8Very low1 Ų1116 Ų1161%0.00658%0.583CS.*  trans-79.891.4173.7-38.30000109.5T110 R113 A114 D238 H244T110-T242 WeakPolarHBondContact O-CG2 3.42Å; R113-T242 HydrophobicContact CB-CG2 4.42Å; A114-T242 HydrophobicContact CB-CG2 4.17Å; D238-T242 VanDerWaalsContact CG-CB 3.49Å; D238-T242 PolarHBondContact OD1-N 2.83Å; D238-T242 PolarHBondContact OD1-OG1 3.39Å; D238-T242 WeakPolarHBondContact OD2-CB 3.45Å; D238-T242 PolarHBondContact OD2-OG1 3.35Å; T242-H244 PolarHBondContact O-N 2.83Å
243L54.4Low43.7Very low79 Ų79113.3 Ų113.341%0.41458%0.58SS.*  trans-68.9114.2162.1-83164.8000108.7P235 E237 G241 N245P235-L243 HydrophobicContact CB-CD2 3.93Å; E237-L243 HydrophobicContact CG-CD2 3.6Å; E237-L243 HydrophobicContact CG-CG 3.93Å; G241-L243 PolarHBondContact O-N 2.93Å; G241-L243 VanDerWaalsContact O-N 3.16Å; L243-N245 PolarHBondContact O-N 3.3Å
244H41.8Very low43.1Very low94 Ų94114 Ų11444%0.43558%0.579SS.*  trans-77.868170.5-81.6-64.4000110.8T242T242-H244 PolarHBondContact O-N 2.83Å
245N40.5Very low42.5Very low92 Ų92114.7 Ų114.749%0.49258%0.583SS.*  trans-91.499.3165.2-70.714.4000108.2L243L243-N245 PolarHBondContact O-N 3.3Å
246A35.1Very low41.7Very low71 Ų71117.9 Ų117.959%0.58760%0.596SS**  trans-64.3131.3148.600000106.7Y248A246-Y248 PolarHBondContact O-N 3.46Å
247F36.6Very low40.9Very low121 Ų121116.9 Ų116.953%0.53159%0.594SS.*  trans-72.7116-171-72.7-91.7000111.6
248Y31.1Very low39.4Very low226 Ų226119.5 Ų119.589%0.88661%0.611SS**  trans-9186.5147-69.7-74.3000107.7A246 V250A246-Y248 PolarHBondContact O-N 3.46Å; Y248-V250 PolarHBondContact O-N 3.2Å
249N28.7Very low37.8Very low136 Ų136123.4 Ų123.473%0.72764%0.641SS**  trans-84.3102.9162.9-841.5000107.9
250V30.6Very low36.2Very low131 Ų131119.5 Ų119.579%0.79464%0.638SS**  trans-124.4129.9152.5177.30000105.4Y248 Q252Y248-V250 PolarHBondContact O-N 3.2Å; V250-Q252 PolarHBondContact O-N 3.36Å
251E32.8Very low35.3Very low181 Ų181124.5 Ų124.585%0.84667%0.666SS**  trans-72.3119.4-167.7-66.4161.2126.800110.9Q253E251-Q253 PolarHBondContact O-N 2.93Å; E251-Q253 VanDerWaalsContact O-N 3.16Å
252Q32.6Very low34Very low197 Ų197129.9 Ų129.992%0.92170%0.698SS**  trans-84.474.9162.2-70.8-163.7-56.900108.9V250 Q254V250-Q252 PolarHBondContact O-N 3.36Å; Q252-Q254 PolarHBondContact O-N 3.07Å
253Q29.2Very low32.2Very low169 Ų169135.3 Ų135.379%0.7973%0.731SS**  trans-67.9120.1168.5-169.217116.200108.8E251 V255E251-Q253 PolarHBondContact O-N 2.93Å; E251-Q253 VanDerWaalsContact O-N 3.16Å; Q253-V255 PolarHBondContact O-N 3.41Å
254Q31.7Very low30.8Very low180 Ų180138 Ų13884%0.84175%0.751SS**  trans-72.1122.3174.8-65177.3-81.300109.6Q252Q252-Q254 PolarHBondContact O-N 3.07Å
255V27Very low30.2Very low128 Ų128137.9 Ų137.978%0.77676%0.761SS**  trans-139.1129.7156.3-171.60000106.9Q253Q253-V255 PolarHBondContact O-N 3.41Å
256D27.7Very low29.5Very low138 Ų138140.6 Ų140.674%0.73878%0.775SS**  trans-83.1162.4-175.1-67.1-68.5000113.6
257S27.2Very low29.3Very low108 Ų108149.3 Ų149.376%0.75579%0.793SS**  trans100.9141.6147.3-37.70000120.1
258L25.9Very low28.9Very low160 Ų160152.5 Ų152.584%0.83881%0.809SS**  trans71.389.5156.7-51.2-170.5000120.9
259S27.3Very low28.9Very low114 Ų114151.6 Ų151.680%0.79781%0.813SS**  30.6114.5113.9173.60000119.7
260S26.5Very low28.7Very low112 Ų112148.5 Ų148.578%0.78381%0.813SS**  -167.7148.1126.838.90000112.5
261N36.2Very low28.7Very low160 Ų160149.5 Ų149.586%0.85682%0.82SS**  trans-95.8147168.7-60.7-38.6000109.7
262P31.1Very low28.6Very low129 Ų129148.5 Ų148.584%0.83882%0.815SS**  trans-107.1137156.634.2-26.7000112
263T21.6Very low28.4Very low116 Ų116145.2 Ų145.271%0.71281%0.814SS**  trans-125.5132.3177.1-68.80000108.2
264T26.5Very low28.3Very low134 Ų134146.7 Ų146.782%0.82281%0.812SS**  trans59.4170176.365.10000114.9
265S28.1Very low28.2Very low92 Ų92145.9 Ų145.964%0.64381%0.813SS**  cis-148.8155.811.1710000114.9
266N26.3Very low28.3Very low149 Ų149142.9 Ų142.980%0.79781%0.808SS**  trans43.4118.4140.9-55.6-0.7000121.2
267R29.8Very low28.6Very low254 Ų254142.4 Ų142.496%0.95881%0.812SS**  -153.3128.7107.2-127.9178.1-177.1-177.60.4112.4
268E28.2Very low28.9Very low188 Ų188144.7 Ų144.788%0.87982%0.816SS**  trans-100144.9170.2-62.2-177.7145.900110.3
269Q32Very low29.6Very low208 Ų208142.8 Ų142.897%0.97281%0.813SS**  trans-165.6142.7138-110173.29.700108
270G24.7Very low30Very low70 Ų70140.8 Ų140.872%0.72281%0.811SS**  trans-156.8170.3-179.900000112.1
271T31.5Very low31.2Very low152 Ų152141.2 Ų141.293%0.93381%0.814SS**  trans-150.7150.7170.313.90000109.3
272E29.9Very low31.5Very low161 Ų161136.6 Ų136.675%0.75280%0.804SS**  trans-90.5153.7-164.5-60.9-179.297.200114.6
273S28.8Very low32.8Very low127 Ų127137.2 Ų137.289%0.88881%0.805SS**  trans-144.6154.2137.157.80000108.9
274R27.1Very low35.1Very low200 Ų200142.2 Ų142.276%0.75581%0.811SS**  trans-138.2152-154.3-142.7-176-153-126.86.7113.1
275L28.6Very low37Very low163 Ų163144.7 Ų144.785%0.85381%0.81SS**  trans80.3134.8166.6-52.1174.5000117.9
276G30.1Very low39.1Very low65 Ų65144.9 Ų144.967%0.6780%0.803SS**  trans149.972.7172.300000114.8N278G276-N278 PolarHBondContact O-N 2.83Å
277P33.8Very low41Very low129 Ų129140.4 Ų140.484%0.83878%0.782SS**  trans-83.591.4-17733.7-33.9000112.5
278N33.6Very low42.7Very low156 Ų156138.8 Ų138.883%0.83478%0.776SS**PPolyproline II helixtrans-82.1122.2167.7-85.4-38.5000110.7G276 G280G276-N278 PolarHBondContact O-N 2.83Å; N278-G280 PolarHBondContact O-N 3.42Å
279P40.7Very low44.7Very low120 Ų120135 Ų13578%0.77976%0.761SS**PPolyproline II helixtrans-66.8120.3171.227.9-32.5000109.3S281P279-S281 PolarHBondContact O-N 3.04Å
280G35.3Very low46.6Very low72 Ų72127.3 Ų127.374%0.74273%0.728SS**PPolyproline II helixtrans-58.1136.7-176.900000112.3N278 G282N278-G280 PolarHBondContact O-N 3.42Å; G280-G282 VanDerWaalsContact C-N 3.35Å; G280-G282 PolarHBondContact O-N 2.98Å
281S51.3Low48.9Very low121 Ų121128.3 Ų128.385%0.84672%0.717SS**  trans-63.893.8176.7-173.10000110.2P279 V283P279-S281 PolarHBondContact O-N 3.04Å; S281-V283 PolarHBondContact O-N 3.02Å
282G43.4Very low50.6Low63 Ų63126.5 Ų126.565%0.64970%0.701SS**  trans-65.8104.518000000110.2G280 R284G280-G282 VanDerWaalsContact C-N 3.35Å; G280-G282 PolarHBondContact O-N 2.98Å; G282-R284 PolarHBondContact O-N 3.22Å
283V58.1Low52.5Low141 Ų141124.3 Ų124.386%0.85569%0.691SS**  trans-65.383.5178-176.10000109.6S281 F285S281-V283 PolarHBondContact O-N 3.02Å; V283-F285 PolarHBondContact O-N 3.07Å
284R69.1Low54.6Low221 Ų221121.7 Ų121.783%0.83467%0.672SS**  trans-61.1129.1173.8-68.5-170.8-177.5-132.52.1108.4G282 I286G282-R284 PolarHBondContact O-N 3.22Å; R284-I286 PolarHBondContact O-N 3.47Å
285F66.8Low56.5Low187 Ų187121.3 Ų121.382%0.8267%0.671SS**  trans-69.8100.2172.8-179.8-97.1000109.4V283 P287V283-F285 PolarHBondContact O-N 3.07Å; F285-P287 HydrophobicContact CE1-CB 4.24Å; F285-P287 WeakPolarHBondContact O-CD 3.39Å
286I72.8Confident58.5Low96 Ų96120 Ų12049%0.49266%0.658SS.*  trans-88112175.9-64.2176.9000107.9R284 T290 N291R284-I286 PolarHBondContact O-N 3.47Å; I286-T290 WeakPolarHBondContact CG2-OG1 3.43Å; I286-N291 WeakPolarHBondContact CG2-OD1 3.29Å
287P65.4Low60.5Low55 Ų55125.5 Ų125.536%0.35766%0.659SS.*  trans-68.8138.5-175.728.4-34.3000110.9F285 I289 T290F285-P287 HydrophobicContact CE1-CB 4.24Å; F285-P287 WeakPolarHBondContact O-CD 3.39Å; P287-I289 HydrophobicContact CB-CG1 4.42Å; P287-I289 HydrophobicContact CG-CG1 4.43Å; P287-I289 PolarHBondContact O-N 3.38Å; P287-T290 HydrophobicContact CG-CG2 4.28Å; P287-T290 PolarHBondContact O-N 3.27Å; P287-T290 PolarHBondContact O-OG1 3.22Å
288R64.8Low62.1Low220 Ų220126.8 Ų126.883%0.8365%0.651SS**Hα-helixtrans-51.1-25.6-169.2-75.5-178172.3174.8-3.6116.1L292R288-L292 PolarHBondContact O-N 2.77Å
289I71.2Confident63.5Low108 Ų108123.4 Ų123.455%0.55464%0.636SS**Hα-helixtrans-60.2-43.9176.560.8-177.3000112.1P287 N291 L292 E293P287-I289 HydrophobicContact CB-CG1 4.42Å; P287-I289 HydrophobicContact CG-CG1 4.43Å; P287-I289 PolarHBondContact O-N 3.38Å; I289-N291 VanDerWaalsContact C-N 3.34Å; I289-N291 PolarHBondContact O-N 3.04Å; I289-L292 WeakPolarHBondContact O-CB 3.44Å; I289-L292 PolarHBondContact O-N 3.26Å; I289-L292 VanDerWaalsContact O-N 3.08Å; I289-E293 WeakPolarHBondContact O-CG 3.27Å; I289-E293 PolarHBondContact O-N 3.45Å
290T70.8Confident64.7Low47 Ų47124.5 Ų124.529%0.28863%0.631SS.*Hα-helixtrans-70.9-30.9-176.559.10000112.3I286 P287 S294I286-T290 WeakPolarHBondContact CG2-OG1 3.43Å; P287-T290 HydrophobicContact CG-CG2 4.28Å; P287-T290 PolarHBondContact O-N 3.27Å; P287-T290 PolarHBondContact O-OG1 3.22Å; T290-S294 VanDerWaalsContact O-CB 3.23Å; T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 3Å; T290-S294 PolarHBondContact O-OG 3.2Å
291N72.9Confident65.8Low90 Ų90128.2 Ų128.248%0.48163%0.629SS.*Hα-helixtrans-69.3-34.2171.6-72.6-19.9000112I286 I289 R295I286-N291 WeakPolarHBondContact CG2-OD1 3.29Å; I289-N291 VanDerWaalsContact C-N 3.34Å; I289-N291 PolarHBondContact O-N 3.04Å; N291-R295 WeakPolarHBondContact O-CB 3.38Å; N291-R295 PolarHBondContact O-N 2.85Å
292L67.3Low65.9Low115 Ų115125.4 Ų125.460%0.60261%0.609SS**Hα-helixtrans-71.1-41.1173-84.9166000111.8R288 I289 R295 K296R288-L292 PolarHBondContact O-N 2.77Å; I289-L292 WeakPolarHBondContact O-CB 3.44Å; I289-L292 PolarHBondContact O-N 3.26Å; I289-L292 VanDerWaalsContact O-N 3.08Å; L292-R295 PolarHBondContact O-N 3.21Å; L292-K296 WeakPolarHBondContact O-CB 3.41Å; L292-K296 PolarHBondContact O-N 3.48Å
293E71.7Confident66.5Low115 Ų115125.3 Ų125.354%0.53761%0.609SS.*Hα-helixtrans-65.2-42.9175.7-71.9158.5178.300111.4I289 R295 K296 R297I289-E293 WeakPolarHBondContact O-CG 3.27Å; I289-E293 PolarHBondContact O-N 3.45Å; E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.14Å; E293-K296 PolarHBondContact O-N 3.46Å; E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 PolarHBondContact O-N 3.29Å
294S71.3Confident65.9Low72 Ų72126 Ų12650%0.50360%0.603SS.*Hα-helixtrans-62.6-38.2174.2-63.30000112.1T290 K298T290-S294 VanDerWaalsContact O-CB 3.23Å; T290-S294 WeakPolarHBondContact O-CB 3.48Å; T290-S294 PolarHBondContact O-N 3Å; T290-S294 PolarHBondContact O-OG 3.2Å; S294-K298 PolarHBondContact O-N 3Å; S294-K298 VanDerWaalsContact O-N 3.14Å
295R67.6Low64.4Low192 Ų192121.7 Ų121.773%0.72560%0.601SS**Hα-helixtrans-72.3-36.7175.7-168.5173.3-174.9171.52.5112.4N291 L292 E293 V299N291-R295 WeakPolarHBondContact O-CB 3.38Å; N291-R295 PolarHBondContact O-N 2.85Å; L292-R295 PolarHBondContact O-N 3.21Å; E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.14Å; R295-V299 WeakPolarHBondContact O-CG2 3.42Å; R295-V299 PolarHBondContact O-N 2.84Å
296K70.7Confident63.4Low135 Ų135117.5 Ų117.559%0.58760%0.601SS**Hα-helixtrans-62.7-50.5171.2-86-167.8164-155.20111.5L292 E293 K298 V299 E300L292-K296 WeakPolarHBondContact O-CB 3.41Å; L292-K296 PolarHBondContact O-N 3.48Å; E293-K296 PolarHBondContact O-N 3.46Å; K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 PolarHBondContact O-N 2.87Å; K296-V299 CarbonylContact O-C 3.6Å; K296-V299 WeakPolarHBondContact O-CA 3.41Å; K296-V299 WeakPolarHBondContact O-CB 3.41Å; K296-V299 PolarHBondContact O-N 2.82Å; K296-E300 PolarHBondContact O-N 3.28Å
297R71.3Confident61.6Low180 Ų180117.3 Ų117.368%0.67961%0.613SS**Hα-helixtrans-57.8-40.7-179.5-164175-172.8175.92.8111.2E293 V299 E300 E301E293-R297 WeakPolarHBondContact O-CB 3.33Å; E293-R297 PolarHBondContact O-N 3.29Å; R297-V299 VanDerWaalsContact C-N 3.32Å; R297-V299 PolarHBondContact O-N 3.04Å; R297-E300 PolarHBondContact O-N 3.09Å; R297-E301 WeakPolarHBondContact O-CB 3.28Å; R297-E301 PolarHBondContact O-N 3.24Å
298K67.3Low60.4Low157 Ų157122.1 Ų122.168%0.68364%0.636SS**Hα-helixtrans-63.7-28.8172.6-80.6-162168.9-159.40115.3S294 K296 S302S294-K298 PolarHBondContact O-N 3Å; S294-K298 VanDerWaalsContact O-N 3.14Å; K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 PolarHBondContact O-N 2.87Å; K298-S302 VanDerWaalsContact O-CB 3.31Å; K298-S302 WeakPolarHBondContact O-CB 3.4Å; K298-S302 PolarHBondContact O-N 2.95Å; K298-S302 VanDerWaalsContact O-N 3.14Å; K298-S302 PolarHBondContact O-OG 3.09Å
299V64.8Low59.1Low85 Ų85118.5 Ų118.552%0.51564%0.638SS.*Hα-helixtrans-82.3-33176.1169.30000111.4R295 K296 R297 S302R295-V299 WeakPolarHBondContact O-CG2 3.42Å; R295-V299 PolarHBondContact O-N 2.84Å; K296-V299 CarbonylContact O-C 3.6Å; K296-V299 WeakPolarHBondContact O-CA 3.41Å; K296-V299 WeakPolarHBondContact O-CB 3.41Å; K296-V299 PolarHBondContact O-N 2.82Å; R297-V299 VanDerWaalsContact C-N 3.32Å; R297-V299 PolarHBondContact O-N 3.04Å; V299-S302 PolarHBondContact O-OG 2.99Å
300E64.1Low57.6Low143 Ų143118.6 Ų118.667%0.66865%0.648SS**Hα-helixtrans-73-32.8173.1-69.6163.9-169.900111.3K296 R297K296-E300 PolarHBondContact O-N 3.28Å; R297-E300 PolarHBondContact O-N 3.09Å
301E59.8Low56.5Low149 Ų149118.8 Ų118.870%0.69666%0.66SS**Hα-helixtrans-80.9-21.7177.3-171.6168.7-121.800113.3R297R297-E301 WeakPolarHBondContact O-CB 3.28Å; R297-E301 PolarHBondContact O-N 3.24Å
302S53.2Low55.2Low62 Ų62122.4 Ų122.443%0.43467%0.674SS.*SBendtrans-86.4-5.1175.7720000114.7K298 V299 E304K298-S302 VanDerWaalsContact O-CB 3.31Å; K298-S302 WeakPolarHBondContact O-CB 3.4Å; K298-S302 PolarHBondContact O-N 2.95Å; K298-S302 VanDerWaalsContact O-N 3.14Å; K298-S302 PolarHBondContact O-OG 3.09Å; V299-S302 PolarHBondContact O-OG 2.99Å; S302-E304 PolarHBondContact O-N 3.35Å; S302-E304 VanDerWaalsContact O-N 3.09Å
303G56.6Low54.3Low62 Ų62123.5 Ų123.564%0.63968%0.68SS**  trans69.44171.600000116.5T305G303-T305 PolarHBondContact O-N 3.28Å
304E43.7Very low53.5Low156 Ų156126.8 Ų126.873%0.72970%0.696SS**  trans-77.189.2-177.1-76.5172.6-147.300111.8S302S302-E304 PolarHBondContact O-N 3.35Å; S302-E304 VanDerWaalsContact O-N 3.09Å
305T38.8Very low52.7Low130 Ų130128.8 Ų128.880%0.79871%0.707SS**  trans-59.414216258.50000110.2G303 A307G303-T305 PolarHBondContact O-N 3.28Å; T305-A307 PolarHBondContact O-N 3.15Å
306A45.3Very low52.3Low99 Ų99127.1 Ų127.182%0.81871%0.712SS**  trans-59.599.9-171.500000112.2N308A306-N308 PolarHBondContact O-N 2.76Å
307A35Very low51.6Low91 Ų91128.7 Ų128.775%0.75273%0.725SS**  trans-70.3112.9-175.800000110.9T305 V309T305-A307 PolarHBondContact O-N 3.15Å; A307-V309 PolarHBondContact O-N 3.46Å
308N39.5Very low51.7Low156 Ų156122.3 Ų122.383%0.83472%0.715SS**  trans-61.9129.1157.5-61.9-74.6000107.3A306 S310A306-N308 PolarHBondContact O-N 2.76Å; N308-S310 VanDerWaalsContact C-N 3.31Å; N308-S310 PolarHBondContact O-N 3.49Å
309V38.6Very low51.7Low144 Ų144121.3 Ų121.387%0.87372%0.724SS**  trans-72.787.8-178.4-177.50000109.9A307A307-V309 PolarHBondContact O-N 3.46Å
310S40.6Very low52Low110 Ų110126.4 Ų126.477%0.76974%0.74SS**  trans-64.9139142.7-172.90000107.6N308N308-S310 VanDerWaalsContact C-N 3.31Å; N308-S310 PolarHBondContact O-N 3.49Å
311G46Very low52.2Low52 Ų52127.2 Ų127.254%0.53675%0.748SS.*  trans-71.3144.7169.600000111.1
312E45.5Very low52.8Low165 Ų165125.9 Ų125.977%0.77175%0.752SS**  165.7111129.8-84.7-56.5122.700108.6
313N49.7Very low53.4Low139 Ų139129.8 Ų129.874%0.74376%0.763SS**  trans49.890.5156.2-46.5-51000121
314E55.1Low53.8Low184 Ų184130.7 Ų130.786%0.8677%0.765SS**  trans-137.2156.2148.2-90.4-148.1155.500111.8L316E314-L316 PolarHBondContact O-N 2.83Å
315P52.9Low54.7Low113 Ų113127.4 Ų127.473%0.73476%0.764SS**  trans-76.790.5-170.830.7-35.7000113I317P315-I317 PolarHBondContact O-N 2.92Å
316L59.9Low56.2Low158 Ų158129.2 Ų129.283%0.82776%0.761SS**  trans-61.4105.4178.1-160.284.3000112.4E314 G318E314-L316 PolarHBondContact O-N 2.83Å; L316-G318 PolarHBondContact O-N 3.06Å
317I55.5Low57.4Low167 Ų167129.3 Ų129.386%0.85675%0.748SS**  trans-74.8110.5172.8-10361.6000110P315P315-I317 PolarHBondContact O-N 2.92Å
318G74.5Confident59.6Low47 Ų47130.1 Ų130.149%0.48574%0.739SS.*SBendtrans164.5161.1178.100000111.2L316 K320L316-G318 PolarHBondContact O-N 3.06Å; G318-K320 PolarHBondContact O-N 2.84Å; G318-K320 VanDerWaalsContact O-N 3.16Å
319P66.5Low61.5Low135 Ų135126.6 Ų126.688%0.87772%0.719SS**PPolyproline II helixtrans-63117.7170.727.4-32.6000108.7L321P319-L321 PolarHBondContact O-N 3.2Å
320K72Confident63.5Low193 Ų193129.1 Ų129.184%0.83972%0.721SS**PPolyproline II helixtrans-58.3132.8176.7-69.8-176177.1-177.80109.2G318G318-K320 PolarHBondContact O-N 2.84Å; G318-K320 VanDerWaalsContact O-N 3.16Å
321L67.7Low65.8Low160 Ų160127 Ų12784%0.83870%0.701SS**PPolyproline II helixtrans-56.4142.6166.9-69.6169.7000108.7P319 E323P319-L321 PolarHBondContact O-N 3.2Å; L321-E323 PolarHBondContact O-N 3.03Å
322P71.4Confident67.7Low120 Ų120132.6 Ų132.678%0.77971%0.713SS**PPolyproline II helixtrans-53.1136175.8-26.134.7000111.2A324P322-A324 PolarHBondContact O-N 3.41Å
323E67.3Low69.8Low144 Ų144127.9 Ų127.967%0.67370%0.698SS**PPolyproline II helixtrans-57.1130.5171.1-172.5179.1149.300108.3L321 A325 K326L321-E323 PolarHBondContact O-N 3.03Å; E323-A325 PolarHBondContact O-N 3.01Å; E323-K326 WeakPolarHBondContact OE1-CE 3.5Å; E323-K326 IonicContact OE1-NZ 3.46Å; E323-K326 PolarHBondContact OE1-NZ 3.39Å
324A63.5Low71.5Confident82 Ų82124.8 Ų124.868%0.67868%0.681SS**PPolyproline II helixtrans-60116.5-176.800000109.4P322 K326P322-A324 PolarHBondContact O-N 3.41Å; A324-K326 PolarHBondContact O-N 3Å
325A63.8Low73Confident86 Ų86118.2 Ų118.271%0.71165%0.652SS**PPolyproline II helixtrans-51.2128.4-171.100000111.5E323 L327E323-A325 PolarHBondContact O-N 3.01Å; A325-L327 VanDerWaalsContact C-N 3.35Å; A325-L327 PolarHBondContact O-N 2.89Å
326K69.2Low74.7Confident169 Ų169117.4 Ų117.474%0.73565%0.645SS**  trans-70.895.9174.1-70.1165-172149.50106.9E323 A324 D328E323-K326 WeakPolarHBondContact OE1-CE 3.5Å; E323-K326 IonicContact OE1-NZ 3.46Å; E323-K326 PolarHBondContact OE1-NZ 3.39Å; A324-K326 PolarHBondContact O-N 3Å; K326-D328 VanDerWaalsContact C-N 3.29Å; K326-D328 PolarHBondContact O-N 3.08Å
327L71.9Confident76.2Confident101 Ų101113.4 Ų113.453%0.52963%0.628SS.*  trans-71.192171.3-17970.6000107.4A325 M329A325-L327 VanDerWaalsContact C-N 3.35Å; A325-L327 PolarHBondContact O-N 2.89Å; L327-M329 HydrophobicContact CD1-SD 3.91Å; L327-M329 HydrophobicContact CD2-SD 4.04Å; L327-M329 HydrophobicContact CG-CG 4.46Å; L327-M329 HydrophobicContact CG-SD 3.84Å
328D79.9Confident77.8Confident108 Ų108107 Ų10758%0.57860%0.596SS**  trans-87130.6164.2-163.3-27.9000107.9K326 E330 N335K326-D328 VanDerWaalsContact C-N 3.29Å; K326-D328 PolarHBondContact O-N 3.08Å; D328-E330 PolarHBondContact OD1-N 2.86Å; D328-N335 PolarHBondContact OD1-ND2 2.96Å
329M80.5Confident78.4Confident82 Ų82106.6 Ų106.640%0.40459%0.592SS.*  trans-98.76.9-179.3-65-61.1-51.500113.1L327 D331 L334 N335L327-M329 HydrophobicContact CD1-SD 3.91Å; L327-M329 HydrophobicContact CD2-SD 4.04Å; L327-M329 HydrophobicContact CG-CG 4.46Å; L327-M329 HydrophobicContact CG-SD 3.84Å; M329-D331 PolarHBondContact O-N 3.2Å; M329-L334 HydrophobicContact CB-CB 3.75Å; M329-L334 HydrophobicContact CB-CD1 4.2Å; M329-L334 HydrophobicContact CE-CD1 4.36Å; M329-L334 HydrophobicContact CG-CB 4.16Å; M329-N335 PolarHBondContact N-OD1 3.07Å
330E80.2Confident79.6Confident197 Ų197105.9 Ų105.992%0.92158%0.58SS**SBendtrans608-175.1-57.3-175.5172.100114.7D328D328-E330 PolarHBondContact OD1-N 2.86Å
331D88.7Confident80.4Confident65 Ų65101.2 Ų101.235%0.34856%0.563SS.*  trans-133.2121.6-178.6179.3-22.7000109.6M329 S333 L334 N335M329-D331 PolarHBondContact O-N 3.2Å; D331-S333 VanDerWaalsContact C-N 3.26Å; D331-S333 VanDerWaalsContact CG-OG 3.27Å; D331-S333 PolarHBondContact O-N 2.88Å; D331-S333 WeakPolarHBondContact OD1-CA 3.45Å; D331-S333 VanDerWaalsContact OD1-CB 3.26Å; D331-S333 WeakPolarHBondContact OD1-CB 3.45Å; D331-S333 PolarHBondContact OD1-N 2.84Å; D331-S333 PolarHBondContact OD1-OG 3.29Å; D331-S333 PolarHBondContact OD2-OG 3.43Å; D331-L334 HydrophobicContact CB-CB 4.11Å; D331-L334 HydrophobicContact CB-CD1 4.02Å; D331-L334 HydrophobicContact CB-CG 3.97Å; D331-L334 PolarHBondContact O-N 2.82Å; D331-L334 PolarHBondContact OD1-N 2.83Å; D331-N335 WeakPolarHBondContact O-CB 3.49Å; D331-N335 PolarHBondContact O-N 3.09Å; D331-N335 PolarHBondContact O-ND2 3.33Å
332E84.9Confident81.3Confident169 Ų169100 Ų10079%0.7955%0.547SS*.Hα-helixtrans-60.2-32.7179.8-60.5-173.3164.500112.9T336E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 VanDerWaalsContact O-CG2 3.31Å; E332-T336 WeakPolarHBondContact O-CG2 3.45Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 2.77Å
333S89.9Confident82.2Confident66 Ų6697.1 Ų97.146%0.46253%0.53SS..Hα-helixtrans-71.9-39.3177.877.70000111.8D331 T336 T337D331-S333 VanDerWaalsContact C-N 3.26Å; D331-S333 VanDerWaalsContact CG-OG 3.27Å; D331-S333 PolarHBondContact O-N 2.88Å; D331-S333 WeakPolarHBondContact OD1-CA 3.45Å; D331-S333 VanDerWaalsContact OD1-CB 3.26Å; D331-S333 WeakPolarHBondContact OD1-CB 3.45Å; D331-S333 PolarHBondContact OD1-N 2.84Å; D331-S333 PolarHBondContact OD1-OG 3.29Å; D331-S333 PolarHBondContact OD2-OG 3.43Å; S333-T336 WeakPolarHBondContact CA-OG1 3.23Å; S333-T336 PolarHBondContact O-OG1 2.9Å; S333-T337 WeakPolarHBondContact O-CG2 3.06Å; S333-T337 PolarHBondContact O-N 3.28Å; S333-T337 PolarHBondContact O-OG1 2.99Å
334L85.3Confident83.2Confident74 Ų7493.3 Ų93.339%0.38752%0.517SS..Hα-helixtrans-71.1-44.4174.1-61.7-177.4000110.8M329 D331 T336 T337 V338M329-L334 HydrophobicContact CB-CB 3.75Å; M329-L334 HydrophobicContact CB-CD1 4.2Å; M329-L334 HydrophobicContact CE-CD1 4.36Å; M329-L334 HydrophobicContact CG-CB 4.16Å; D331-L334 HydrophobicContact CB-CB 4.11Å; D331-L334 HydrophobicContact CB-CD1 4.02Å; D331-L334 HydrophobicContact CB-CG 3.97Å; D331-L334 PolarHBondContact O-N 2.82Å; D331-L334 PolarHBondContact OD1-N 2.83Å; L334-T336 VanDerWaalsContact C-N 3.33Å; L334-T336 PolarHBondContact O-N 3.33Å; L334-T337 PolarHBondContact O-N 2.87Å; L334-T337 PolarHBondContact O-OG1 3.36Å; L334-V338 WeakPolarHBondContact O-CG2 3.11Å; L334-V338 PolarHBondContact O-N 3.39Å
335N87Confident84.2Confident47 Ų4795.9 Ų95.925%0.25152%0.517SS..Hα-helixtrans-60.8-39.1177.9-76.1-28.3000112.7D328 M329 D331 G339D328-N335 PolarHBondContact OD1-ND2 2.96Å; M329-N335 PolarHBondContact N-OD1 3.07Å; D331-N335 WeakPolarHBondContact O-CB 3.49Å; D331-N335 PolarHBondContact O-N 3.09Å; D331-N335 PolarHBondContact O-ND2 3.33Å; N335-G339 PolarHBondContact O-N 2.75Å
336T88.5Confident85.2Confident96 Ų96100 Ų10059%0.58952%0.518SS*.Hα-helixtrans-67.6-41.6175.146.90000112.7E332 S333 L334 G339 L340E332-T336 WeakPolarHBondContact O-CB 3.4Å; E332-T336 VanDerWaalsContact O-CG2 3.31Å; E332-T336 WeakPolarHBondContact O-CG2 3.45Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 2.77Å; S333-T336 WeakPolarHBondContact CA-OG1 3.23Å; S333-T336 PolarHBondContact O-OG1 2.9Å; L334-T336 VanDerWaalsContact C-N 3.33Å; L334-T336 PolarHBondContact O-N 3.33Å; T336-G339 PolarHBondContact O-N 3.03Å; T336-L340 PolarHBondContact O-N 3.25Å
337T91.1Very high85.9Confident74 Ų7498.3 Ų98.345%0.45451%0.513SS..Hα-helixtrans-65.8-39.8174.360.80000112.6S333 L334 G339 L340 I341S333-T337 WeakPolarHBondContact O-CG2 3.06Å; S333-T337 PolarHBondContact O-N 3.28Å; S333-T337 PolarHBondContact O-OG1 2.99Å; L334-T337 PolarHBondContact O-N 2.87Å; L334-T337 PolarHBondContact O-OG1 3.36Å; T337-G339 VanDerWaalsContact C-N 3.3Å; T337-G339 PolarHBondContact O-N 3.14Å; T337-L340 WeakPolarHBondContact O-CB 3.31Å; T337-L340 PolarHBondContact O-N 3.14Å; T337-L340 VanDerWaalsContact O-N 3.14Å; T337-I341 WeakPolarHBondContact O-CG1 3.47Å; T337-I341 PolarHBondContact O-N 2.69Å
338V89.4Confident86.2Confident33 Ų3398.9 Ų98.920%0.252%0.521CS..Hα-helixtrans-61.1-38.9173.2169.70000111.4L334 I341 R342L334-V338 WeakPolarHBondContact O-CG2 3.11Å; L334-V338 PolarHBondContact O-N 3.39Å; V338-I341 PolarHBondContact O-N 3.2Å; V338-R342 WeakPolarHBondContact O-CG 3.49Å; V338-R342 PolarHBondContact O-N 2.97Å
339G88.7Confident85.8Confident38 Ų3897.2 Ų97.239%0.39253%0.529SS..Hα-helixtrans-60.1-43.9171.900000113N335 T336 T337 R342 S343N335-G339 PolarHBondContact O-N 2.75Å; T336-G339 PolarHBondContact O-N 3.03Å; T337-G339 VanDerWaalsContact C-N 3.3Å; T337-G339 PolarHBondContact O-N 3.14Å; G339-R342 PolarHBondContact O-N 3.02Å; G339-S343 PolarHBondContact O-N 2.82Å; G339-S343 PolarHBondContact O-OG 2.69Å
340L90.6Very high85.3Confident119 Ų11997.4 Ų97.462%0.62354%0.539SS*.Hα-helixtrans-67.7-35.5178.4-154.674.5000112.8T336 T337 S343 T344T336-L340 PolarHBondContact O-N 3.25Å; T337-L340 WeakPolarHBondContact O-CB 3.31Å; T337-L340 PolarHBondContact O-N 3.14Å; T337-L340 VanDerWaalsContact O-N 3.14Å; L340-S343 PolarHBondContact O-OG 2.85Å; L340-T344 WeakPolarHBondContact O-CB 3.33Å; L340-T344 WeakPolarHBondContact O-CG2 3.33Å; L340-T344 PolarHBondContact O-N 3.19Å; L340-T344 VanDerWaalsContact O-N 3.07Å; L340-T344 PolarHBondContact O-OG1 3.22Å
341I89Confident84.5Confident96 Ų9693 Ų9349%0.49253%0.525SS..Hα-helixtrans-66.8-44.2173.1-67.4163.1000110.3T337 V338 S343 T344 M345T337-I341 WeakPolarHBondContact O-CG1 3.47Å; T337-I341 PolarHBondContact O-N 2.69Å; V338-I341 PolarHBondContact O-N 3.2Å; I341-S343 PolarHBondContact O-N 3.41Å; I341-T344 WeakPolarHBondContact CA-OG1 3.41Å; I341-T344 PolarHBondContact O-N 3.03Å; I341-T344 PolarHBondContact O-OG1 3.11Å; I341-T344 VanDerWaalsContact O-OG1 3.05Å; I341-M345 HydrophobicContact CG2-CG 4.44Å; I341-M345 HydrophobicContact CG2-SD 4.15Å; I341-M345 WeakPolarHBondContact O-CB 3.27Å; I341-M345 VanDerWaalsContact O-CG 3.3Å; I341-M345 WeakPolarHBondContact O-CG 3.37Å; I341-M345 PolarHBondContact O-N 2.91Å
342R87.6Confident83.2Confident133 Ų13395.1 Ų95.150%0.50254%0.542SS..Hα-helixtrans-65.5-37.6178.3-71.6173.8-174-106.78.4112.5V338 G339 K346V338-R342 WeakPolarHBondContact O-CG 3.49Å; V338-R342 PolarHBondContact O-N 2.97Å; G339-R342 PolarHBondContact O-N 3.02Å; R342-K346 WeakPolarHBondContact O-CB 3.4Å; R342-K346 PolarHBondContact O-N 2.95Å; R342-K346 VanDerWaalsContact O-N 3.12Å
343S88.9Confident81.3Confident60 Ų6094.6 Ų94.642%0.4255%0.545SS..Hα-helixtrans-70-43.6177.1670000112.2G339 L340 I341 K346 Q347G339-S343 PolarHBondContact O-N 2.82Å; G339-S343 PolarHBondContact O-OG 2.69Å; L340-S343 PolarHBondContact O-OG 2.85Å; I341-S343 PolarHBondContact O-N 3.41Å; S343-K346 PolarHBondContact O-N 2.71Å; S343-Q347 PolarHBondContact O-N 2.64Å
344T88.2Confident79.4Confident65 Ų6599.6 Ų99.640%0.39957%0.565SS.*Hα-helixtrans-66.2-40.9176.549.70000112.6L340 I341 K346 Q347 V348L340-T344 WeakPolarHBondContact O-CB 3.33Å; L340-T344 WeakPolarHBondContact O-CG2 3.33Å; L340-T344 PolarHBondContact O-N 3.19Å; L340-T344 VanDerWaalsContact O-N 3.07Å; L340-T344 PolarHBondContact O-OG1 3.22Å; I341-T344 WeakPolarHBondContact CA-OG1 3.41Å; I341-T344 PolarHBondContact O-N 3.03Å; I341-T344 PolarHBondContact O-OG1 3.11Å; I341-T344 VanDerWaalsContact O-OG1 3.05Å; T344-K346 VanDerWaalsContact C-N 3.34Å; T344-K346 PolarHBondContact O-N 2.75Å; T344-Q347 PolarHBondContact O-N 3.41Å; T344-V348 WeakPolarHBondContact O-CG2 3.47Å; T344-V348 PolarHBondContact O-N 3.17Å
345M84Confident77.3Confident135 Ų135105.8 Ų105.867%0.66559%0.589SS**Hα-helixtrans-58.7-43.9171.6-75.5-176.473.400112.2I341 Q347 V348 G349I341-M345 HydrophobicContact CG2-CG 4.44Å; I341-M345 HydrophobicContact CG2-SD 4.15Å; I341-M345 WeakPolarHBondContact O-CB 3.27Å; I341-M345 VanDerWaalsContact O-CG 3.3Å; I341-M345 WeakPolarHBondContact O-CG 3.37Å; I341-M345 PolarHBondContact O-N 2.91Å; M345-Q347 VanDerWaalsContact C-N 3.31Å; M345-Q347 PolarHBondContact O-N 3.43Å; M345-V348 PolarHBondContact O-N 3.12Å; M345-G349 PolarHBondContact O-N 3.34Å
346K86.4Confident75Confident172 Ų172109.9 Ų109.975%0.74862%0.616SS**Hα-helixtrans-63.4-36.9176.3-172.2178.9-179.8-177.90111.9R342 S343 T344 S350R342-K346 WeakPolarHBondContact O-CB 3.4Å; R342-K346 PolarHBondContact O-N 2.95Å; R342-K346 VanDerWaalsContact O-N 3.12Å; S343-K346 PolarHBondContact O-N 2.71Å; T344-K346 VanDerWaalsContact C-N 3.34Å; T344-K346 PolarHBondContact O-N 2.75Å; K346-S350 PolarHBondContact O-N 2.98Å
347Q83.5Confident72.5Confident134 Ų134110 Ų11063%0.62663%0.626SS**Hα-helixtrans-67.9-48.3176.1-171.1176.14.300111.7S343 T344 M345 G349 S350S343-Q347 PolarHBondContact O-N 2.64Å; T344-Q347 PolarHBondContact O-N 3.41Å; M345-Q347 VanDerWaalsContact C-N 3.31Å; M345-Q347 PolarHBondContact O-N 3.43Å; Q347-G349 VanDerWaalsContact C-N 3.34Å; Q347-G349 PolarHBondContact O-N 2.7Å; Q347-S350 PolarHBondContact O-N 2.94Å; Q347-S350 PolarHBondContact O-OG 3.3Å
348V78.5Confident70.2Confident113 Ų113116.2 Ų116.269%0.68565%0.647SS**Hα-helixtrans-59.3-43.8177.5172.30000111.3T344 M345 S350 V351T344-V348 WeakPolarHBondContact O-CG2 3.47Å; T344-V348 PolarHBondContact O-N 3.17Å; M345-V348 PolarHBondContact O-N 3.12Å; V348-S350 PolarHBondContact O-N 3.5Å; V348-S350 VanDerWaalsContact O-N 3.12Å; V348-V351 PolarHBondContact O-N 3.26Å
349G71.1Confident68.1Low73 Ų73124.4 Ų124.475%0.75368%0.68SS**THydrogen-bonded Turntrans-67.1-5.6175.400000115.5M345 Q347M345-G349 PolarHBondContact O-N 3.34Å; Q347-G349 VanDerWaalsContact C-N 3.34Å; Q347-G349 PolarHBondContact O-N 2.7Å
350S69.5Low65.9Low87 Ų87132.4 Ų132.461%0.60870%0.704SS**THydrogen-bonded Turntrans-102.9-5.8179.1740000114.2K346 Q347 V348K346-S350 PolarHBondContact O-N 2.98Å; Q347-S350 PolarHBondContact O-N 2.94Å; Q347-S350 PolarHBondContact O-OG 3.3Å; V348-S350 PolarHBondContact O-N 3.5Å; V348-S350 VanDerWaalsContact O-N 3.12Å
351V63.3Low63.8Low104 Ų104131.4 Ų131.463%0.6371%0.713SS**SBendtrans-79.7122.7179.5-176.70000109.9V348V348-V351 PolarHBondContact O-N 3.26Å
352P61Low62.2Low110 Ų110136.1 Ų136.171%0.71473%0.73SS**PPolyproline II helixtrans-75.1133.317929.8-34.1000111.8L354P352-L354 PolarHBondContact O-N 2.88Å
353D46.7Very low60.7Low157 Ų157135.8 Ų135.884%0.8475%0.745SS**PPolyproline II helixtrans-52.5130.2-179.1-82.2-47.1000113.7K355D353-K355 PolarHBondContact O-N 3.45Å
354L49Very low59Low171 Ų171144.7 Ų144.790%0.89577%0.77SS**  trans-68.5102.5174.8-75.6172.2000110.7P352 T356P352-L354 PolarHBondContact O-N 2.88Å; L354-T356 PolarHBondContact O-N 3.48Å; L354-T356 VanDerWaalsContact O-N 3.11Å
355K41.8Very low57.3Low204 Ų204153.3 Ų153.389%0.88780%0.795SS**  trans-51.6113.8179.7-67.3169.1-176.4165.20111.6D353 A357D353-K355 PolarHBondContact O-N 3.45Å; K355-A357 PolarHBondContact O-N 3.32Å
356T38.3Very low55.9Low134 Ų134158.5 Ų158.582%0.82281%0.807SS**  trans-59.7134.8174.544.30000111.5L354 K358L354-T356 PolarHBondContact O-N 3.48Å; L354-T356 VanDerWaalsContact O-N 3.11Å; T356-K358 PolarHBondContact O-N 2.69Å
357A37.1Very low54.3Low97 Ų97161.7 Ų161.780%0.80283%0.83SS**  trans-66.6118.3-17000000112.3K355 K359K355-A357 PolarHBondContact O-N 3.32Å; A357-K359 PolarHBondContact O-N 3.33Å; A357-K359 VanDerWaalsContact O-N 3.07Å
358K41.2Very low52.8Low205 Ų205163.1 Ų163.189%0.89184%0.84SS**  trans-63.4107.9177-67.7-177.5178.6179.70110.9T356 K360T356-K358 PolarHBondContact O-N 2.69Å; K358-K360 PolarHBondContact O-N 2.68Å
359K46.8Very low51.5Low205 Ų205165.7 Ų165.789%0.89185%0.848SS**PPolyproline II helixtrans-59.8122.9168.6-70.2-176.9177.9178.50109.4A357 A361A357-K359 PolarHBondContact O-N 3.33Å; A357-K359 VanDerWaalsContact O-N 3.07Å; K359-A361 PolarHBondContact O-N 3.37Å
360K42.6Very low50.4Low206 Ų206170.9 Ų170.990%0.89685%0.854SS**PPolyproline II helixtrans-66.2118.9179.6-69.1-176.4177.91800110.4K358K358-K360 PolarHBondContact O-N 2.68Å
361A45.4Very low49.2Very low98 Ų98175.8 Ų175.881%0.8187%0.868SS**PPolyproline II helixtrans-73135.4169.600000110.4K359K359-A361 PolarHBondContact O-N 3.37Å
362K55.2Low48.4Very low195 Ų195180.3 Ų180.385%0.84888%0.883SS**PPolyproline II helixtrans-79.1142.2172.2-68.8-177.2177.7-1790110
363P55.7Low47.5Very low126 Ų126185 Ų18582%0.81889%0.894SS**PPolyproline II helixtrans-68.3134.6175.828.6-34000110.9
364R53.4Low47.6Very low248 Ų248187 Ų18794%0.93690%0.898SS**PPolyproline II helixtrans-74.7128.3165.8-88.4176.4145.2169.2-8.6109
365R53.8Low47.5Very low246 Ų246188.2 Ų188.293%0.92890%0.898SS**PPolyproline II helixtrans-62.6143.2160.3-82.5-178.1167.1169.5-5.3108.9
366R53.2Low48Very low244 Ų244186.9 Ų186.992%0.92190%0.899SS**PPolyproline II helixtrans-72.5139.6157.9-84-178.3169.5172.1-4.8108.8
367I52.9Low48.8Very low239 Ų239191.7 Ų191.7100%1.22691%0.906SS**  trans-1250144-59.9178.9000103.3

Retrieved 367 of 367 residues in 77.1 ms (Link to these results)