A0A087Y8H3_POEFO Loading...

E3 ubiquitin-protein ligase RBX1

AlphaFold DB (A0A3B4T222), UniProt , Accession A0A087Y8H3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 108 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
1M46.6Very low51.4Low247 Ų247138.3 Ų138.3100%1.21785%0.85SS**  0103.80-74.6156.2-179.700106.5
2A40.7Very low50.9Low106 Ų106131.5 Ų131.588%0.87683%0.828SS**PPolyproline II helixtrans-77.6132.1-177.300000109.7
3A44.8Very low50.8Low102 Ų102131.8 Ų131.884%0.84383%0.829SS**PPolyproline II helixtrans-67.1136.6176.100000110.2
4A48.4Very low50.7Low91 Ų91134.1 Ų134.175%0.75283%0.832SS**PPolyproline II helixtrans-64.5135.417600000110.2
5M55.2Low51Low175 Ų175133.7 Ų133.786%0.86284%0.836SS**  trans-90110.6169.653.1-168.6179.200107.9V7M5-V7 PolarHBondContact O-N 3.09Å
6D56.6Low51Low158 Ų158129.3 Ų129.385%0.84583%0.825SS**  trans-66.4118.4171.3-70.8-69.3000109.1D8D6-D8 PolarHBondContact O-N 3.09Å
7V56.4Low51.7Low117 Ų117127.4 Ų127.471%0.70982%0.824SS**  trans-84.6110.4174168.90000108M5 T9M5-V7 PolarHBondContact O-N 3.09Å; V7-T9 PolarHBondContact O-N 3.33Å; V7-T9 VanDerWaalsContact O-N 3.09Å
8D53.8Low52.7Low158 Ų158126.3 Ų126.385%0.84582%0.819SS**  trans-55.1113168.3-81.3-55.2000110.2D6D6-D8 PolarHBondContact O-N 3.09Å
9T60.7Low53.7Low116 Ų116129 Ų12971%0.71282%0.817SS**  trans-89.8117.7171.2-60.40000108.2V7 S11V7-T9 PolarHBondContact O-N 3.33Å; V7-T9 VanDerWaalsContact O-N 3.09Å; T9-S11 PolarHBondContact O-N 3.49Å; T9-S11 VanDerWaalsContact O-N 3.09Å
10P50.7Low55Low130 Ų130131.2 Ų131.284%0.84481%0.814SS**  trans-78.4103.6172.431.1-29.1000108.5
11S51.3Low56.3Low121 Ų121136.1 Ų136.185%0.84682%0.817SS**  trans-86.8134.2166.8-159.60000109.4T9T9-S11 PolarHBondContact O-N 3.49Å; T9-S11 VanDerWaalsContact O-N 3.09Å
12G45.7Very low58.2Low57 Ų57133.4 Ų133.459%0.58880%0.799SS**  trans107.3101155.600000118
13T49.2Very low60.5Low136 Ų136134.9 Ų134.983%0.83479%0.788SS**  trans50.8100130.753.50000119.3
14N49.8Very low62.6Low163 Ų163136 Ų13687%0.87278%0.784SS**  -157.6126.5111.8-115.4-14.6000108.3G16N14-G16 PolarHBondContact O-N 2.91Å
15S55.6Low64.7Low128 Ų128141.5 Ų141.590%0.89579%0.791SS**  trans-62.780.6170.3-54.40000108A17S15-A17 PolarHBondContact O-N 2.69Å
16G51.3Low66.5Low64 Ų64141 Ų14166%0.6678%0.784SS**  trans-60.5103.3172.900000106.2N14 S18N14-G16 PolarHBondContact O-N 2.91Å; G16-S18 PolarHBondContact O-N 2.9Å
17A62.6Low68.2Low97 Ų97143.6 Ų143.680%0.80278%0.782SS**  trans-52.5100.5157.400000105.1S15 K19S15-A17 PolarHBondContact O-N 2.69Å; A17-K19 PolarHBondContact O-N 2.76Å
18S68.4Low69.8Low107 Ų107144 Ų14475%0.74878%0.78SS**  trans-53.8110-174.152.80000107.1G16 K20G16-S18 PolarHBondContact O-N 2.9Å; S18-K20 PolarHBondContact O-N 3.1Å; S18-K20 VanDerWaalsContact O-N 3.1Å
19K72.8Confident71.6Confident178 Ų178139.5 Ų139.577%0.77477%0.765SS**  trans-52.5122.4-178.5-155.7176.7-172.9179.80107.3A17 R21A17-K19 PolarHBondContact O-N 2.76Å; K19-R21 PolarHBondContact O-N 3.08Å; K19-R21 VanDerWaalsContact O-N 3.08Å
20K78.5Confident73.1Confident172 Ų172140.7 Ų140.775%0.74877%0.772SS**  trans-56.3122-175.8-71.6-166.3178.7-1750107.7S18 F22S18-K20 PolarHBondContact O-N 3.1Å; S18-K20 VanDerWaalsContact O-N 3.1Å; K20-F22 PolarHBondContact O-N 3.06Å
21R82.3Confident74.6Confident236 Ų236138.8 Ų138.889%0.89177%0.766SS**SBendtrans-59.7-22.7-172.9-73-179.685-171.87.1113K19K19-R21 PolarHBondContact O-N 3.08Å; K19-R21 VanDerWaalsContact O-N 3.08Å
22F87.3Confident75.7Confident189 Ų189141.4 Ų141.483%0.82977%0.77SS**  trans-131131176.3-62-73.1000110.3K20K20-F22 PolarHBondContact O-N 3.06Å
23E89.4Confident77.2Confident137 Ų137148.3 Ų148.364%0.6478%0.779SS**  trans-128.1125.6174.9-70.7178175.800108.5K25E23-K25 PolarHBondContact O-N 3.26Å
24V89Confident77.5Confident126 Ų126146 Ų14676%0.76477%0.774SS**  trans-74.9111.7176.3179.30000108.2W27V24-W27 HydrophobicContact CG1-CB 4.21Å
25K92.6Very high78.1Confident206 Ų206143.8 Ų143.890%0.89675%0.753SS**  trans-78.5-37179.9-74-171.1173.2-1780113.6E23E23-K25 PolarHBondContact O-N 3.26Å
26K91.6Very high78.5Confident166 Ų166144.7 Ų144.772%0.72275%0.748SS**  trans-156.7136.7-178.9-171.8173.7-177.5176.80108.9N28K26-N28 WeakPolarHBondContact CE-OD1 3.46Å
27W93.6Very high79.1Confident211 Ų211143.1 Ų143.180%0.79972%0.724SS**  trans-128.6125.2175.1-175.244.4000108.7V24 A29V24-W27 HydrophobicContact CG1-CB 4.21Å; W27-A29 HydrophobicContact CD2-CB 4.15Å; W27-A29 HydrophobicContact CE3-CB 4.39Å; W27-A29 HydrophobicContact CH2-CB 3.84Å; W27-A29 HydrophobicContact CZ2-CB 3.56Å; W27-A29 HydrophobicContact CZ3-CB 4.24Å
28N90.4Very high79Confident127 Ų127145.3 Ų145.368%0.67973%0.727SS**  trans-113.396.7170-55-55.9000106.5K26K26-N28 WeakPolarHBondContact CE-OD1 3.46Å
29A90.8Very high79Confident63 Ų63143.3 Ų143.352%0.52171%0.71SS.*  trans-78.7141.4176.400000110W27W27-A29 HydrophobicContact CD2-CB 4.15Å; W27-A29 HydrophobicContact CE3-CB 4.39Å; W27-A29 HydrophobicContact CH2-CB 3.84Å; W27-A29 HydrophobicContact CZ2-CB 3.56Å; W27-A29 HydrophobicContact CZ3-CB 4.24Å
30V92Very high79.5Confident141 Ų141139.6 Ų139.686%0.85570%0.699SS**  trans-115.2129.6166.4-178.80000106.6
31A83.4Confident80Confident89 Ų89135 Ų13574%0.73668%0.682SS**  trans-128.2143.1176.200000109.4
32L73.9Confident80.4Confident177 Ų177123.8 Ų123.893%0.92764%0.64SS**  trans-99.5139.4162.7-61.3170.9000106.4
33W76.1Confident80.6Confident202 Ų202116.9 Ų116.977%0.76562%0.618SS**  trans-115.8142.4173.168.4-85.2000108.7W35W33-W35 AromaticContact CZ3-CD1 3.97Å; W33-W35 HydrophobicContact CZ3-CD2 4.27Å; W33-W35 AromaticContact CZ3-CE2 3.73Å; W33-W35 HydrophobicContact CZ3-CG 4.41Å; W33-W35 HydrophobicContact CZ3-CZ2 4.14Å; W33-W35 AromaticContact CZ3-NE1 3.55Å
34A55.7Low80.7Confident88 Ų88113.1 Ų113.173%0.72760%0.602SS**  trans-130.9157.2165.800000106.8D36A34-D36 PolarHBondContact O-N 3.28Å
35W63.1Low80.9Confident115 Ų115107.9 Ų107.944%0.43657%0.57SS.*  trans-66132.8166-65.8104.1000108.2W33 I37 W72W33-W35 AromaticContact CZ3-CD1 3.97Å; W33-W35 HydrophobicContact CZ3-CD2 4.27Å; W33-W35 AromaticContact CZ3-CE2 3.73Å; W33-W35 HydrophobicContact CZ3-CG 4.41Å; W33-W35 HydrophobicContact CZ3-CZ2 4.14Å; W33-W35 AromaticContact CZ3-NE1 3.55Å; W35-I37 HydrophobicContact CB-CG2 4.11Å; W35-I37 PolarHBondContact O-N 3.03Å; W35-W72 HydrophobicContact CB-CH2 3.43Å; W35-W72 VanDerWaalsContact CB-CH2 3.43Å; W35-W72 HydrophobicContact CB-CZ2 4.21Å; W35-W72 HydrophobicContact CB-CZ3 4.15Å; W35-W72 AromaticContact CD1-CH2 3.58Å; W35-W72 AromaticContact CD1-CZ2 3.46Å; W35-W72 VanDerWaalsContact CD1-CZ2 3.46Å; W35-W72 HydrophobicContact CD2-CH2 4.03Å; W35-W72 HydrophobicContact CD2-CZ2 4.4Å; W35-W72 HydrophobicContact CD2-CZ3 4.38Å; W35-W72 AromaticContact CG-CH2 3.38Å; W35-W72 HydrophobicContact CG-CH2 3.38Å; W35-W72 AromaticContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ3 4.12Å; W35-W72 AromaticContact NE1-CZ2 3.9Å
36D63.1Low80.9Confident148 Ų148108.3 Ų108.379%0.79157%0.567SS**  trans-71.772.3170.4-174.125.4000108.8A34A34-D36 PolarHBondContact O-N 3.28Å
37I64.1Low80.9Confident30 Ų30102.1 Ų102.115%0.15454%0.541CS..  trans-88.9126.3169.654177.1000107.2W35 V39 I49 W72 A78W35-I37 HydrophobicContact CB-CG2 4.11Å; W35-I37 PolarHBondContact O-N 3.03Å; I37-V39 WeakPolarHBondContact CD1-O 3.33Å; I37-V39 PolarHBondContact O-N 3.19Å; I37-I49 HydrophobicContact CD1-CD1 4.45Å; I37-I49 HydrophobicContact CD1-CG2 4.02Å; I37-W72 HydrophobicContact CG2-CH2 3.45Å; I37-W72 VanDerWaalsContact CG2-CH2 3.45Å; I37-W72 HydrophobicContact CG2-CZ3 3.62Å; I37-A78 HydrophobicContact CG2-CB 4.5Å
38V62.1Low80.7Confident143 Ų14395.1 Ų95.187%0.86752%0.517SS*.SBendtrans-59.9-19.6178.8-177.70000111.5
39V68.3Low80.5Confident66 Ų6689.5 Ų89.540%0.449%0.487SS..  trans-140.4115.8-175.7-167.50000110.2I37 N41I37-V39 WeakPolarHBondContact CD1-O 3.33Å; I37-V39 PolarHBondContact O-N 3.19Å; V39-N41 HydrophobicContact CG1-CB 4.05Å; V39-N41 VanDerWaalsContact CG1-O 3.32Å; V39-N41 WeakPolarHBondContact CG1-O 3.11Å; V39-N41 PolarHBondContact O-N 2.85Å
40D81.5Confident80.3Confident99 Ų9993.5 Ų93.553%0.52950%0.497SS..SBendtrans-72.6-4.2174.3-64.8-41.2000113.6H48 I49D40-H48 PolarHBondContact O-CD2 3.05Å; D40-H48 VanDerWaalsContact O-CD2 3.27Å; D40-I49 WeakPolarHBondContact O-CB 3.43Å; D40-I49 WeakPolarHBondContact O-CG2 3.48Å; D40-I49 PolarHBondContact O-N 3.07Å
41N89.6Confident80.1Confident76 Ų7690.8 Ų90.841%0.40648%0.477SS..BIsolated β-bridgetrans-108.5137.9179.4-60.3-31.4000110.2V39 A43 N47V39-N41 HydrophobicContact CG1-CB 4.05Å; V39-N41 VanDerWaalsContact CG1-O 3.32Å; V39-N41 WeakPolarHBondContact CG1-O 3.11Å; V39-N41 PolarHBondContact O-N 2.85Å; N41-A43 PolarHBondContact O-N 2.78Å; N41-A43 VanDerWaalsContact O-N 3.1Å; N41-N47 CarbonylContact C-O 3.33Å; N41-N47 WeakPolarHBondContact CA-O 3.31Å
42C91.1Very high80.3Confident0 Ų089.1 Ų89.10%046%0.456CS..  trans-60.9114.9169.7173.80000109.5I44 C45 R46 N47 H80C42-I44 PolarHBondContact O-N 3.47Å; C42-C45 PolarHBondContact O-N 3.05Å; C42-C45 VanDerWaalsContact SG-SG 3.7Å; C42-R46 VanDerWaalsContact O-CA 3.22Å; C42-R46 WeakPolarHBondContact O-CA 3.36Å; C42-R46 PolarHBondContact O-N 3.35Å; C42-N47 PolarHBondContact N-O 3.28Å; C42-H80 WeakPolarHBondContact CB-ND1 3.41Å
43A91.1Very high81.1Confident44 Ų4480.7 Ų80.736%0.36441%0.412SS..THydrogen-bonded Turntrans-64-15.6-174.700000114.3N41 F79 L96N41-A43 PolarHBondContact O-N 2.78Å; N41-A43 VanDerWaalsContact O-N 3.1Å; A43-F79 HydrophobicContact CB-CE1 3.97Å; A43-L96 HydrophobicContact CB-CD2 3.93Å; A43-L96 HydrophobicContact CB-CG 4.39Å
44I92.3Very high81.7Confident58 Ų5875.5 Ų75.530%0.29740%0.398SS..THydrogen-bonded Turntrans-83-51.3179.3-57.7170.3000111C42 F79 C83 I84 W87 P95C42-I44 PolarHBondContact O-N 3.47Å; I44-F79 HydrophobicContact CD1-CB 4.33Å; I44-F79 HydrophobicContact CD1-CD1 3.92Å; I44-F79 HydrophobicContact CD1-CE1 4.48Å; I44-F79 HydrophobicContact CD1-CG 4.1Å; I44-F79 HydrophobicContact CG1-CD1 3.98Å; I44-F79 HydrophobicContact CG1-CE1 4.29Å; I44-C83 HydrophobicContact CB-CB 3.9Å; I44-C83 HydrophobicContact CD1-CB 3.87Å; I44-C83 HydrophobicContact CG1-CB 4.48Å; I44-C83 HydrophobicContact CG2-CB 3.9Å; I44-I84 HydrophobicContact CD1-CB 4.39Å; I44-I84 HydrophobicContact CD1-CD1 4.23Å; I44-W87 HydrophobicContact CD1-CB 4.22Å; I44-P95 HydrophobicContact CD1-CG 3.94Å; I44-P95 HydrophobicContact CG1-CG 3.97Å
45C93Very high83.2Confident16 Ų1674.7 Ų74.711%0.10838%0.379CS..THydrogen-bonded Turntrans-101.5-6.1-177.571.70000114C42 N47 I54 H80 C83C42-C45 PolarHBondContact O-N 3.05Å; C42-C45 VanDerWaalsContact SG-SG 3.7Å; C45-N47 PolarHBondContact O-N 2.99Å; C45-I54 HydrophobicContact CB-CD1 4.29Å; C45-I54 HydrophobicContact CB-CG1 4.17Å; C45-I54 WeakPolarHBondContact O-CD1 3.34Å; C45-H80 PolarHBondContact SG-ND1 3.26Å; C45-C83 VanDerWaalsContact SG-SG 3.65Å
46R92.2Very high84.4Confident216 Ų21669.7 Ų69.782%0.81536%0.362SS*.  trans57.713.3-177.9-54.9-174.4178.5127.3-0.8115.7C42C42-R46 VanDerWaalsContact O-CA 3.22Å; C42-R46 WeakPolarHBondContact O-CA 3.36Å; C42-R46 PolarHBondContact O-N 3.35Å
47N90.9Very high85.5Confident35 Ų3567.3 Ų67.319%0.18735%0.346CS..SBendtrans-89.7158.5170.3-156.236.4000110.4N41 C42 C45 D51 L52N41-N47 CarbonylContact C-O 3.33Å; N41-N47 WeakPolarHBondContact CA-O 3.31Å; C42-N47 PolarHBondContact N-O 3.28Å; C45-N47 PolarHBondContact O-N 2.99Å; N47-D51 WeakPolarHBondContact ND2-CB 3.12Å; N47-L52 PolarHBondContact ND2-O 2.81Å
48H89.3Confident86.6Confident64 Ų6469.6 Ų69.630%0.29637%0.369SS..BIsolated β-bridgetrans-57.6138176.7-174.7-116.6000110.9D40 M50 D51 H80D40-H48 PolarHBondContact O-CD2 3.05Å; D40-H48 VanDerWaalsContact O-CD2 3.27Å; H48-M50 VanDerWaalsContact CE1-CB 3.5Å; H48-M50 WeakPolarHBondContact CE1-CB 3.33Å; H48-M50 VanDerWaalsContact CE1-CG 3.49Å; H48-M50 WeakPolarHBondContact CE1-CG 3.1Å; H48-M50 PolarHBondContact O-N 2.94Å; H48-D51 HydrophobicContact CB-CB 4.19Å; H48-D51 IonicContact ND1-OD1 3.19Å; H48-D51 PolarHBondContact ND1-OD1 2.76Å; H48-D51 PolarHBondContact O-N 3.09Å; H48-H80 PolarHBondContact O-CE1 3.29Å; H48-H80 PolarHBondContact O-NE2 2.72Å
49I88.1Confident87.6Confident9 Ų967.5 Ų67.55%0.04635%0.353CS..THydrogen-bonded Turntrans-69-20.4-171.1-159.4163.1000113.6I37 D40 V70 A78 H80I37-I49 HydrophobicContact CD1-CD1 4.45Å; I37-I49 HydrophobicContact CD1-CG2 4.02Å; D40-I49 WeakPolarHBondContact O-CB 3.43Å; D40-I49 WeakPolarHBondContact O-CG2 3.48Å; D40-I49 PolarHBondContact O-N 3.07Å; I49-V70 HydrophobicContact CD1-CG1 3.85Å; I49-V70 HydrophobicContact CG1-CG1 3.9Å; I49-V70 HydrophobicContact CG1-CG2 3.99Å; I49-V70 WeakPolarHBondContact O-CG2 3.48Å; I49-A78 HydrophobicContact CD1-CB 3.3Å; I49-H80 WeakPolarHBondContact CA-NE2 3.27Å; I49-H80 PolarHBondContact O-NE2 3.36Å
50M85.3Confident87.7Confident148 Ų14870.4 Ų70.473%0.72936%0.362SS*.THydrogen-bonded Turntrans-89.2-8.8176.4-52.3-65.4-8300112.4H48H48-M50 VanDerWaalsContact CE1-CB 3.5Å; H48-M50 WeakPolarHBondContact CE1-CB 3.33Å; H48-M50 VanDerWaalsContact CE1-CG 3.49Å; H48-M50 WeakPolarHBondContact CE1-CG 3.1Å; H48-M50 PolarHBondContact O-N 2.94Å
51D87.5Confident87.1Confident83 Ų8371.1 Ų71.144%0.44438%0.382SS..SBendtrans-96.7175.8-179.8-65.33.3000110.2N47 H48 H80N47-D51 WeakPolarHBondContact ND2-CB 3.12Å; H48-D51 HydrophobicContact CB-CB 4.19Å; H48-D51 IonicContact ND1-OD1 3.19Å; H48-D51 PolarHBondContact ND1-OD1 2.76Å; H48-D51 PolarHBondContact O-N 3.09Å; D51-H80 PolarHBondContact O-NE2 2.82Å
52L87.8Confident85.9Confident55 Ų5569.5 Ų69.529%0.28838%0.377SS..  trans-65.8146.3172.2-64.5169.3000110.6N47 C56 Q57 Q60 S65 C68N47-L52 PolarHBondContact ND2-O 2.81Å; L52-C56 HydrophobicContact CB-CB 4.02Å; L52-C56 HydrophobicContact CD2-CB 4.06Å; L52-C56 HydrophobicContact CG-CB 4.49Å; L52-Q57 HydrophobicContact CB-CB 4.37Å; L52-Q60 HydrophobicContact CD1-CG 4.1Å; L52-S65 WeakPolarHBondContact CD2-O 3.46Å; L52-C68 HydrophobicContact CD2-CB 3.93Å
53C90.5Very high84.3Confident0 Ų074.1 Ų74.10%042%0.415CS..  trans-63.8160.1167.375.10000110.8E55 C56 Q57 C68 H80C53-E55 PolarHBondContact O-N 3.2Å; C53-C56 PolarHBondContact O-N 3.2Å; C53-Q57 WeakPolarHBondContact O-CB 3.41Å; C53-Q57 PolarHBondContact O-N 2.9Å; C53-C68 PolarHBondContact N-SG 2.85Å; C53-C68 VanDerWaalsContact SG-SG 3.65Å; C53-H80 HydrophobicContact CB-CB 4.02Å
54I90.1Very high82.9Confident93 Ų9376.3 Ų76.348%0.47742%0.424SS..Hα-helixtrans-51.1-33.3-177.8-70.3-178.1000112.6C45 A58C45-I54 HydrophobicContact CB-CD1 4.29Å; C45-I54 HydrophobicContact CB-CG1 4.17Å; C45-I54 WeakPolarHBondContact O-CD1 3.34Å; I54-A58 WeakPolarHBondContact O-CB 3.32Å; I54-A58 PolarHBondContact O-N 3.06Å
55E86.9Confident81.3Confident71 Ų7174.1 Ų74.133%0.33241%0.414SS..Hα-helixtrans-76-42.3-178.2-50.3-161.3118.900113.1C53 Q57 A58 N59 R86C53-E55 PolarHBondContact O-N 3.2Å; E55-Q57 VanDerWaalsContact C-N 3.28Å; E55-A58 PolarHBondContact O-N 3.5Å; E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.01Å; E55-N59 PolarHBondContact O-ND2 2.98Å; E55-R86 IonicContact OE1-CZ 3.33Å; E55-R86 IonicContact OE1-NH1 2.64Å; E55-R86 PolarHBondContact OE1-NH1 3.22Å; E55-R86 IonicContact OE1-NH2 2.98Å; E55-R86 PolarHBondContact OE1-NH2 3.26Å; E55-R86 IonicContact OE2-CZ 3.05Å; E55-R86 IonicContact OE2-NH1 2.62Å; E55-R86 PolarHBondContact OE2-NH1 3.35Å; E55-R86 IonicContact OE2-NH2 3.16Å; E55-R86 PolarHBondContact OE2-NH2 3.07Å
56C88.3Confident79.8Confident9 Ų982 Ų826%0.06145%0.449CS..Hα-helixtrans-69.7-33175.1-67.20000110.5L52 C53 N59 Q60 C68 H82L52-C56 HydrophobicContact CB-CB 4.02Å; L52-C56 HydrophobicContact CD2-CB 4.06Å; L52-C56 HydrophobicContact CG-CB 4.49Å; C53-C56 PolarHBondContact O-N 3.2Å; C56-N59 CarbonylContact O-C 3.56Å; C56-N59 PolarHBondContact O-N 3.02Å; C56-Q60 PolarHBondContact O-N 2.78Å; C56-Q60 VanDerWaalsContact O-N 3.15Å; C56-C68 HydrophobicContact CB-CB 4.23Å; C56-H82 VanDerWaalsContact SG-CE1 3.54Å; C56-H82 PolarHBondContact SG-ND1 2.72Å
57Q86.6Confident78.7Confident98 Ų9877.5 Ų77.546%0.45844%0.437SS..Hα-helixtrans-64.6-41.2173.1-169.3178.517.300111.9L52 C53 E55 N59L52-Q57 HydrophobicContact CB-CB 4.37Å; C53-Q57 WeakPolarHBondContact O-CB 3.41Å; C53-Q57 PolarHBondContact O-N 2.9Å; E55-Q57 VanDerWaalsContact C-N 3.28Å; Q57-N59 VanDerWaalsContact C-N 3.31Å
58A86Confident78.3Confident79 Ų7976.6 Ų76.665%0.65343%0.434SS*.Hα-helixtrans-69.3-28.8174.800000112.9I54 E55I54-A58 WeakPolarHBondContact O-CB 3.32Å; I54-A58 PolarHBondContact O-N 3.06Å; E55-A58 PolarHBondContact O-N 3.5Å
59N82.7Confident78.2Confident99 Ų9977.3 Ų77.353%0.52944%0.443SS..THydrogen-bonded Turntrans-112.838.5-175-65.1-37000113.5E55 C56 Q57 A61 S62E55-N59 WeakPolarHBondContact O-CB 3.41Å; E55-N59 PolarHBondContact O-N 3.01Å; E55-N59 PolarHBondContact O-ND2 2.98Å; C56-N59 CarbonylContact O-C 3.56Å; C56-N59 PolarHBondContact O-N 3.02Å; Q57-N59 VanDerWaalsContact C-N 3.31Å; N59-A61 PolarHBondContact O-N 3.2Å; N59-S62 PolarHBondContact O-N 2.98Å; N59-S62 PolarHBondContact O-OG 2.99Å
60Q70.9Confident78.3Confident126 Ų12679.2 Ų79.259%0.58945%0.454SS*.THydrogen-bonded Turntrans-57.7-18.4179.9-81.2179.42100114.6L52 C56 S62L52-Q60 HydrophobicContact CD1-CG 4.1Å; C56-Q60 PolarHBondContact O-N 2.78Å; C56-Q60 VanDerWaalsContact O-N 3.15Å; Q60-S62 PolarHBondContact O-N 2.77Å
61A69.7Low78.5Confident114 Ų11472.5 Ų72.594%0.94242%0.423SS*.THydrogen-bonded Turntrans-76.4-8.1175.900000113.8N59N59-A61 PolarHBondContact O-N 3.2Å
62S63.6Low78.6Confident42 Ų4270.3 Ų70.329%0.29441%0.408SS..SBendtrans-98136.1-178.1650000111.9N59 Q60 T64 S65N59-S62 PolarHBondContact O-N 2.98Å; N59-S62 PolarHBondContact O-OG 2.99Å; Q60-S62 PolarHBondContact O-N 2.77Å; S62-T64 PolarHBondContact O-N 2.96Å; S62-T64 PolarHBondContact OG-OG1 3.42Å; S62-S65 WeakPolarHBondContact O-CB 3.38Å; S62-S65 PolarHBondContact O-N 2.94Å; S62-S65 PolarHBondContact O-OG 3.1Å
63A58.6Low78.8Confident97 Ų9767.7 Ų67.780%0.80239%0.394SS*.G310 helixtrans-61.3-12.1178.600000114S65A63-S65 VanDerWaalsContact C-N 3.35Å
64T60.3Low78.8Confident90 Ų9071.5 Ų71.555%0.55242%0.418SS*.G310 helixtrans-85.6-5.7175.654.30000113.4S62 E66S62-T64 PolarHBondContact O-N 2.96Å; S62-T64 PolarHBondContact OG-OG1 3.42Å; T64-E66 VanDerWaalsContact C-N 3.27Å; T64-E66 PolarHBondContact O-N 3.15Å
65S59.8Low78.8Confident13 Ų1368.3 Ų68.39%0.09140%0.403CS..G310 helixtrans-70.6-23174.761.60000112.9L52 S62 A63 E67L52-S65 WeakPolarHBondContact CD2-O 3.46Å; S62-S65 WeakPolarHBondContact O-CB 3.38Å; S62-S65 PolarHBondContact O-N 2.94Å; S62-S65 PolarHBondContact O-OG 3.1Å; A63-S65 VanDerWaalsContact C-N 3.35Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 2.85Å
66E60.2Low78.8Confident180 Ų18068.8 Ų68.884%0.84141%0.408SS*.G310 helixtrans-75.1-11.4-179.6-55.2-162.7160.300113.7T64T64-E66 VanDerWaalsContact C-N 3.27Å; T64-E66 PolarHBondContact O-N 3.15Å
67E70.4Confident78.9Confident123 Ų12370.7 Ų70.758%0.57542%0.416SS*.G310 helixtrans-101.114.7-176.4-152.4-175.8165.900113.5S65 T69S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 2.85Å; E67-T69 PolarHBondContact O-N 3.24Å
68C82.1Confident79.1Confident16 Ų1666.6 Ų66.611%0.10840%0.399CS..  trans-75.865.3178.3-166.30000111.8L52 C53 C56L52-C68 HydrophobicContact CD2-CB 3.93Å; C53-C68 PolarHBondContact N-SG 2.85Å; C53-C68 VanDerWaalsContact SG-SG 3.65Å; C56-C68 HydrophobicContact CB-CB 4.23Å
69T87.3Confident79.4Confident79 Ų7962.9 Ų62.949%0.48537%0.368SS..  trans-77161.4-179.658.80000112E67 F81E67-T69 PolarHBondContact O-N 3.24Å; T69-F81 WeakPolarHBondContact O-CB 3.43Å; T69-F81 PolarHBondContact O-N 2.76Å
70V89.5Confident79.8Confident48 Ų4858.2 Ų58.229%0.29134%0.343SS..EExtended strand (participates in β ladder)trans-84.5129.6174.8-176.50000109.6I49 A78I49-V70 HydrophobicContact CD1-CG1 3.85Å; I49-V70 HydrophobicContact CG1-CG1 3.9Å; I49-V70 HydrophobicContact CG1-CG2 3.99Å; I49-V70 WeakPolarHBondContact O-CG2 3.48Å; V70-A78 HydrophobicContact CG1-CB 4.06Å
71A90.2Very high80.8Confident8 Ų855.9 Ų55.97%0.06633%0.331CS..EExtended strand (participates in β ladder)trans-105130.3173.800000110.2A78 F79 F81 I84 F103A71-A78 WeakPolarHBondContact O-CA 3.26Å; A71-F79 PolarHBondContact N-O 3Å; A71-F79 PolarHBondContact O-N 2.99Å; A71-F81 HydrophobicContact CB-CB 4.42Å; A71-F81 HydrophobicContact CB-CD2 4.28Å; A71-I84 HydrophobicContact CB-CG2 3.84Å; A71-F103 HydrophobicContact CB-CD1 4.26Å; A71-F103 HydrophobicContact CB-CE1 4.03Å
72W90.2Very high81.8Confident36 Ų3652.8 Ų52.814%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-104.3135.6177.6-67.982.4000110W35 I37 A78 Q104 Y106W35-W72 HydrophobicContact CB-CH2 3.43Å; W35-W72 VanDerWaalsContact CB-CH2 3.43Å; W35-W72 HydrophobicContact CB-CZ2 4.21Å; W35-W72 HydrophobicContact CB-CZ3 4.15Å; W35-W72 AromaticContact CD1-CH2 3.58Å; W35-W72 AromaticContact CD1-CZ2 3.46Å; W35-W72 VanDerWaalsContact CD1-CZ2 3.46Å; W35-W72 HydrophobicContact CD2-CH2 4.03Å; W35-W72 HydrophobicContact CD2-CZ2 4.4Å; W35-W72 HydrophobicContact CD2-CZ3 4.38Å; W35-W72 AromaticContact CG-CH2 3.38Å; W35-W72 HydrophobicContact CG-CH2 3.38Å; W35-W72 AromaticContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ2 3.78Å; W35-W72 HydrophobicContact CG-CZ3 4.12Å; W35-W72 AromaticContact NE1-CZ2 3.9Å; I37-W72 HydrophobicContact CG2-CH2 3.45Å; I37-W72 VanDerWaalsContact CG2-CH2 3.45Å; I37-W72 HydrophobicContact CG2-CZ3 3.62Å; W72-A78 HydrophobicContact CD2-CB 3.86Å; W72-A78 HydrophobicContact CE3-CB 3.79Å; W72-A78 HydrophobicContact CH2-CB 3.8Å; W72-A78 HydrophobicContact CZ2-CB 3.88Å; W72-A78 HydrophobicContact CZ3-CB 3.77Å; W72-Q104 HydrophobicContact CB-CB 4.03Å; W72-Q104 WeakPolarHBondContact O-CB 3.35Å; W72-Q104 PolarHBondContact O-N 2.97Å; W72-Y106 HydrophobicContact CB-CE2 4.12Å; W72-Y106 HydrophobicContact CG-CE2 4.19Å
73G90.9Very high83.2Confident0 Ų051.3 Ų51.30%029%0.286CS..BIsolated β-bridgetrans-91.8153.1170.300000110.8C75 N76 H77 E102G73-C75 PolarHBondContact O-N 2.89Å; G73-C75 VanDerWaalsContact O-N 3.07Å; G73-N76 WeakPolarHBondContact O-CA 3.46Å; G73-N76 PolarHBondContact O-N 3.27Å; G73-H77 PolarHBondContact N-O 3.24Å; G73-E102 VanDerWaalsContact CA-O 3.31Å; G73-E102 WeakPolarHBondContact CA-O 3.45Å
74V91.3Very high84.9Confident81 Ų8146.7 Ų46.749%0.49125%0.248SC..THydrogen-bonded Turntrans-57.2-21.6169.6-61.40000112.8N76 E102V74-N76 PolarHBondContact O-N 3.19Å; V74-E102 HydrophobicContact CG1-CB 4.03Å; V74-E102 HydrophobicContact CG2-CB 3.86Å; V74-E102 PolarHBondContact N-O 3.02Å
75C90.3Very high86.4Confident25 Ų2544 Ų4417%0.16923%0.234CC..THydrogen-bonded Turntrans-76.4817261.60000114.5G73 H77 D97G73-C75 PolarHBondContact O-N 2.89Å; G73-C75 VanDerWaalsContact O-N 3.07Å; C75-H77 PolarHBondContact O-N 3.04Å; C75-D97 WeakPolarHBondContact CB-OD2 3.43Å
76N87.1Confident88Confident81 Ų8149.9 Ų49.943%0.43325%0.254SS..SBendtrans62.122.4-179.7-158.252.2000114.3G73 V74G73-N76 WeakPolarHBondContact O-CA 3.46Å; G73-N76 PolarHBondContact O-N 3.27Å; V74-N76 PolarHBondContact O-N 3.19Å
77H88.9Confident89.6Confident50 Ų5044.8 Ų44.823%0.23123%0.227CC..  trans-98.7139.9170.9-68.8123.5000110.6G73 C75 F79 C94 L96 D97G73-H77 PolarHBondContact N-O 3.24Å; C75-H77 PolarHBondContact O-N 3.04Å; H77-F79 HydrophobicContact CB-CE2 3.86Å; H77-F79 HydrophobicContact CB-CZ 4.09Å; H77-C94 PolarHBondContact ND1-SG 3.35Å; H77-L96 HydrophobicContact CB-CD1 4.18Å; H77-L96 WeakPolarHBondContact CD2-CD1 3.46Å; H77-D97 IonicContact CE1-OD2 3.41Å; H77-D97 PolarHBondContact CE1-OD2 3.33Å; H77-D97 IonicContact ND1-OD2 2.59Å; H77-D97 PolarHBondContact ND1-OD2 3.01Å
78A90.6Very high90.8Very high12 Ų1239.6 Ų39.610%0.09920%0.203CC..EExtended strand (participates in β ladder)trans-118.4139.2-176.300000111.2I37 I49 V70 A71 W72I37-A78 HydrophobicContact CG2-CB 4.5Å; I49-A78 HydrophobicContact CD1-CB 3.3Å; V70-A78 HydrophobicContact CG1-CB 4.06Å; A71-A78 WeakPolarHBondContact O-CA 3.26Å; W72-A78 HydrophobicContact CD2-CB 3.86Å; W72-A78 HydrophobicContact CE3-CB 3.79Å; W72-A78 HydrophobicContact CH2-CB 3.8Å; W72-A78 HydrophobicContact CZ2-CB 3.88Å; W72-A78 HydrophobicContact CZ3-CB 3.77Å
79F92.4Very high91.4Very high1 Ų147.3 Ų47.30%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-145164178.3-54.9-76.3000109.6A43 I44 A71 H77 I84 P95 L96 W101A43-F79 HydrophobicContact CB-CE1 3.97Å; I44-F79 HydrophobicContact CD1-CB 4.33Å; I44-F79 HydrophobicContact CD1-CD1 3.92Å; I44-F79 HydrophobicContact CD1-CE1 4.48Å; I44-F79 HydrophobicContact CD1-CG 4.1Å; I44-F79 HydrophobicContact CG1-CD1 3.98Å; I44-F79 HydrophobicContact CG1-CE1 4.29Å; A71-F79 PolarHBondContact N-O 3Å; A71-F79 PolarHBondContact O-N 2.99Å; H77-F79 HydrophobicContact CB-CE2 3.86Å; H77-F79 HydrophobicContact CB-CZ 4.09Å; F79-I84 HydrophobicContact CB-CB 4.03Å; F79-I84 HydrophobicContact CD2-CB 4.39Å; F79-I84 HydrophobicContact CD2-CD1 3.94Å; F79-I84 HydrophobicContact CD2-CG1 4.25Å; F79-I84 HydrophobicContact CE2-CD1 4.29Å; F79-I84 HydrophobicContact CG-CB 4.48Å; F79-P95 HydrophobicContact CE1-CB 4.48Å; F79-P95 HydrophobicContact CE1-CG 4.21Å; F79-P95 HydrophobicContact CE2-CG 4.36Å; F79-P95 HydrophobicContact CZ-CB 4.27Å; F79-P95 HydrophobicContact CZ-CG 3.93Å; F79-L96 HydrophobicContact CE1-CD1 4.09Å; F79-L96 HydrophobicContact CE1-CG 4.32Å; F79-L96 HydrophobicContact CZ-CD1 3.81Å; F79-L96 HydrophobicContact CZ-CG 3.98Å; F79-W101 AromaticContact CD2-CH2 3.67Å; F79-W101 HydrophobicContact CD2-CH2 3.67Å; F79-W101 AromaticContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CE2-CE3 4.41Å; F79-W101 AromaticContact CE2-CH2 3.99Å; F79-W101 HydrophobicContact CE2-CH2 3.99Å; F79-W101 AromaticContact CE2-CZ3 3.57Å; F79-W101 HydrophobicContact CE2-CZ3 3.57Å
80H92.3Very high91.7Very high0 Ų049 Ų490%025%0.245CC..EExtended strand (participates in β ladder)trans-64.7141.1165.5-58.5122.4000110.7C42 C45 H48 I49 D51 C53 H82 C83 I84C42-H80 WeakPolarHBondContact CB-ND1 3.41Å; C45-H80 PolarHBondContact SG-ND1 3.26Å; H48-H80 PolarHBondContact O-CE1 3.29Å; H48-H80 PolarHBondContact O-NE2 2.72Å; I49-H80 WeakPolarHBondContact CA-NE2 3.27Å; I49-H80 PolarHBondContact O-NE2 3.36Å; D51-H80 PolarHBondContact O-NE2 2.82Å; C53-H80 HydrophobicContact CB-CB 4.02Å; H80-H82 VanDerWaalsContact C-N 3.3Å; H80-H82 PolarHBondContact O-N 3.28Å; H80-C83 HydrophobicContact CB-CB 4.12Å; H80-C83 WeakPolarHBondContact O-CB 3.47Å; H80-C83 PolarHBondContact O-N 2.78Å; H80-I84 PolarHBondContact O-N 3.01Å
81F91.6Very high91.9Very high77 Ų7753.9 Ų53.934%0.33826%0.258SS..Hα-helixtrans-54.4-44.6-180-178.7-104.3000112.2T69 A71 C83 I84 S85 F103T69-F81 WeakPolarHBondContact O-CB 3.43Å; T69-F81 PolarHBondContact O-N 2.76Å; A71-F81 HydrophobicContact CB-CB 4.42Å; A71-F81 HydrophobicContact CB-CD2 4.28Å; F81-C83 VanDerWaalsContact C-N 3.35Å; F81-C83 PolarHBondContact O-N 3.35Å; F81-I84 WeakPolarHBondContact O-CG2 3.15Å; F81-S85 WeakPolarHBondContact O-CB 3.47Å; F81-S85 PolarHBondContact O-N 3.49Å; F81-S85 PolarHBondContact O-OG 3.15Å; F81-F103 HydrophobicContact CD2-CE1 4.36Å; F81-F103 HydrophobicContact CE2-CE1 4.3Å; F81-F103 HydrophobicContact CE2-CZ 4.43Å
82H91.1Very high92Very high49 Ų4958.8 Ų58.823%0.22728%0.28CS..Hα-helixtrans-63.3-38.9176.4-64.9143.7000113.3C56 H80 R86C56-H82 VanDerWaalsContact SG-CE1 3.54Å; C56-H82 PolarHBondContact SG-ND1 2.72Å; H80-H82 VanDerWaalsContact C-N 3.3Å; H80-H82 PolarHBondContact O-N 3.28Å; H82-R86 WeakPolarHBondContact O-CB 3.49Å; H82-R86 PolarHBondContact O-N 3.44Å; H82-R86 VanDerWaalsContact O-N 3.15Å
83C93.1Very high92.3Very high11 Ų1158.8 Ų58.87%0.07428%0.283CS..Hα-helixtrans-68-49.9-179-64.60000111.2I44 C45 H80 F81 R86 W87I44-C83 HydrophobicContact CB-CB 3.9Å; I44-C83 HydrophobicContact CD1-CB 3.87Å; I44-C83 HydrophobicContact CG1-CB 4.48Å; I44-C83 HydrophobicContact CG2-CB 3.9Å; C45-C83 VanDerWaalsContact SG-SG 3.65Å; H80-C83 HydrophobicContact CB-CB 4.12Å; H80-C83 WeakPolarHBondContact O-CB 3.47Å; H80-C83 PolarHBondContact O-N 2.78Å; F81-C83 VanDerWaalsContact C-N 3.35Å; F81-C83 PolarHBondContact O-N 3.35Å; C83-R86 PolarHBondContact O-N 3.05Å; C83-W87 PolarHBondContact O-N 3.33Å; C83-W87 VanDerWaalsContact O-N 3.14Å
84I94Very high92.4Very high0 Ų058.8 Ų58.80%028%0.284CS..Hα-helixtrans-70.1-40.6-179.9-167.159.1000111.4I44 A71 F79 H80 F81 R86 W87 L88 P95 W101 F103I44-I84 HydrophobicContact CD1-CB 4.39Å; I44-I84 HydrophobicContact CD1-CD1 4.23Å; A71-I84 HydrophobicContact CB-CG2 3.84Å; F79-I84 HydrophobicContact CB-CB 4.03Å; F79-I84 HydrophobicContact CD2-CB 4.39Å; F79-I84 HydrophobicContact CD2-CD1 3.94Å; F79-I84 HydrophobicContact CD2-CG1 4.25Å; F79-I84 HydrophobicContact CE2-CD1 4.29Å; F79-I84 HydrophobicContact CG-CB 4.48Å; H80-I84 PolarHBondContact O-N 3.01Å; F81-I84 WeakPolarHBondContact O-CG2 3.15Å; I84-R86 PolarHBondContact O-N 3.05Å; I84-W87 HydrophobicContact CD1-CB 4.39Å; I84-W87 WeakPolarHBondContact O-CB 3.5Å; I84-W87 PolarHBondContact O-N 3.14Å; I84-L88 HydrophobicContact CD1-CD2 4.5Å; I84-L88 HydrophobicContact CD1-CG 4.37Å; I84-L88 HydrophobicContact CG1-CD1 4.12Å; I84-L88 HydrophobicContact CG1-CG 4.22Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.11Å; I84-L88 PolarHBondContact O-N 3.35Å; I84-P95 HydrophobicContact CD1-CG 4.29Å; I84-W101 HydrophobicContact CD1-CD2 4.02Å; I84-W101 HydrophobicContact CD1-CE3 4.14Å; I84-W101 HydrophobicContact CD1-CH2 4.48Å; I84-W101 HydrophobicContact CD1-CZ2 4.4Å; I84-W101 HydrophobicContact CD1-CZ3 4.37Å; I84-W101 HydrophobicContact CG1-CD2 3.94Å; I84-W101 HydrophobicContact CG1-CE3 4.38Å; I84-W101 HydrophobicContact CG1-CH2 4.11Å; I84-W101 HydrophobicContact CG1-CZ2 3.66Å; I84-W101 HydrophobicContact CG1-CZ3 4.47Å; I84-W101 HydrophobicContact CG2-CZ2 4.42Å; I84-F103 HydrophobicContact CG2-CE1 4.08Å; I84-F103 HydrophobicContact CG2-CZ 4.47Å
85S91.9Very high92.5Very high35 Ų3557 Ų5725%0.24527%0.273CS..Hα-helixtrans-59.1-37.7177.9-64.70000112.2F81F81-S85 WeakPolarHBondContact O-CB 3.47Å; F81-S85 PolarHBondContact O-N 3.49Å; F81-S85 PolarHBondContact O-OG 3.15Å
86R93.2Very high92.5Very high136 Ų13659.9 Ų59.951%0.51329%0.287SS..Hα-helixtrans-68-44.9173.3-179.8177.3-63175.2-2.9112.5E55 H82 C83 I84 L88 K89E55-R86 IonicContact OE1-CZ 3.33Å; E55-R86 IonicContact OE1-NH1 2.64Å; E55-R86 PolarHBondContact OE1-NH1 3.22Å; E55-R86 IonicContact OE1-NH2 2.98Å; E55-R86 PolarHBondContact OE1-NH2 3.26Å; E55-R86 IonicContact OE2-CZ 3.05Å; E55-R86 IonicContact OE2-NH1 2.62Å; E55-R86 PolarHBondContact OE2-NH1 3.35Å; E55-R86 IonicContact OE2-NH2 3.16Å; E55-R86 PolarHBondContact OE2-NH2 3.07Å; H82-R86 WeakPolarHBondContact O-CB 3.49Å; H82-R86 PolarHBondContact O-N 3.44Å; H82-R86 VanDerWaalsContact O-N 3.15Å; C83-R86 PolarHBondContact O-N 3.05Å; I84-R86 PolarHBondContact O-N 3.05Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 2.62Å; R86-K89 WeakPolarHBondContact O-CB 3.38Å; R86-K89 PolarHBondContact O-N 2.59Å
87W94.3Very high92.7Very high72 Ų7258.1 Ų58.127%0.27328%0.278SS..Hα-helixtrans-56.7-46.6179.2178.3-93.5000111.3I44 C83 I84 K89 T90 R91 V93 P95I44-W87 HydrophobicContact CD1-CB 4.22Å; C83-W87 PolarHBondContact O-N 3.33Å; C83-W87 VanDerWaalsContact O-N 3.14Å; I84-W87 HydrophobicContact CD1-CB 4.39Å; I84-W87 WeakPolarHBondContact O-CB 3.5Å; I84-W87 PolarHBondContact O-N 3.14Å; W87-K89 PolarHBondContact O-N 3.2Å; W87-K89 VanDerWaalsContact O-N 3.15Å; W87-T90 PolarHBondContact O-N 3.3Å; W87-T90 PolarHBondContact O-OG1 3.49Å; W87-R91 HydrophobicContact CZ2-CB 4.49Å; W87-R91 PolarHBondContact O-N 2.7Å; W87-V93 VanDerWaalsContact CD1-O 3.29Å; W87-V93 PolarHBondContact NE1-O 3.02Å; W87-P95 HydrophobicContact CD2-CG 4.01Å; W87-P95 HydrophobicContact CG-CG 4.1Å; W87-P95 HydrophobicContact CZ2-CB 4.23Å; W87-P95 HydrophobicContact CZ2-CG 4.31Å
88L94.3Very high92.9Very high15 Ų1561.4 Ų61.48%0.07930%0.297CS..Hα-helixtrans-60.9-23.6179.6-63.5173.4000114.1I84 R86 T90 R91 Q92 W101 F103I84-L88 HydrophobicContact CD1-CD2 4.5Å; I84-L88 HydrophobicContact CD1-CG 4.37Å; I84-L88 HydrophobicContact CG1-CD1 4.12Å; I84-L88 HydrophobicContact CG1-CG 4.22Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.11Å; I84-L88 PolarHBondContact O-N 3.35Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 2.62Å; L88-T90 PolarHBondContact O-N 2.64Å; L88-R91 WeakPolarHBondContact CA-O 3.22Å; L88-Q92 PolarHBondContact O-NE2 3.41Å; L88-W101 HydrophobicContact CD1-CG 4.09Å; L88-W101 HydrophobicContact CD2-CB 3.5Å; L88-W101 HydrophobicContact CD2-CG 3.64Å; L88-W101 HydrophobicContact CG-CG 4.41Å; L88-F103 HydrophobicContact CD1-CE2 3.89Å; L88-F103 HydrophobicContact CD1-CZ 3.75Å
89K94.7Very high93Very high178 Ų17868.8 Ų68.877%0.77432%0.322SS*.THydrogen-bonded Turntrans-61.3-25.9172.8-66.1-178.3-179.2-178.30112.9R86 W87R86-K89 WeakPolarHBondContact O-CB 3.38Å; R86-K89 PolarHBondContact O-N 2.59Å; W87-K89 PolarHBondContact O-N 3.2Å; W87-K89 VanDerWaalsContact O-N 3.15Å
90T93.2Very high93.1Very high114 Ų11475.3 Ų75.370%0.69935%0.352SS*.THydrogen-bonded Turntrans-111.3-32.6-178.763.20000113.1W87 L88W87-T90 PolarHBondContact O-N 3.3Å; W87-T90 PolarHBondContact O-OG1 3.49Å; L88-T90 PolarHBondContact O-N 2.64Å
91R93.4Very high93.2Very high150 Ų15075.8 Ų75.857%0.56635%0.354SS*.  trans-143.4116.1-175.3-65.5-173.5-177.6-167.41.1110.4W87 L88 V93W87-R91 HydrophobicContact CZ2-CB 4.49Å; W87-R91 PolarHBondContact O-N 2.7Å; L88-R91 WeakPolarHBondContact CA-O 3.22Å; R91-V93 HydrophobicContact CB-CG2 4.09Å; R91-V93 PolarHBondContact O-N 3.05Å
92Q93.9Very high93.3Very high112 Ų11277.5 Ų77.552%0.52336%0.363SS..SBendtrans-80.439.6177.6-67.5-69.3-33.500112.5L88 E100 W101L88-Q92 PolarHBondContact O-NE2 3.41Å; Q92-E100 WeakPolarHBondContact O-CA 3.43Å; Q92-W101 PolarHBondContact O-N 2.87Å
93V95.6Very high93.3Very high35 Ų3579.4 Ų79.421%0.21237%0.371CS..BIsolated β-bridgetrans-133.1151.4-179.8-64.90000110.8W87 R91 R99W87-V93 VanDerWaalsContact CD1-O 3.29Å; W87-V93 PolarHBondContact NE1-O 3.02Å; R91-V93 HydrophobicContact CB-CG2 4.09Å; R91-V93 PolarHBondContact O-N 3.05Å; V93-R99 CarbonylContact C-O 3.4Å; V93-R99 WeakPolarHBondContact CA-O 3.37Å; V93-R99 WeakPolarHBondContact CB-O 3.38Å
94C93.6Very high93Very high1 Ų182.2 Ų82.21%0.00738%0.383CS..  trans-63.8134173.4-179.20000110.7H77 L96 D97 N98 R99 W101H77-C94 PolarHBondContact ND1-SG 3.35Å; C94-L96 PolarHBondContact O-N 3.37Å; C94-D97 WeakPolarHBondContact CB-OD1 3.38Å; C94-N98 WeakPolarHBondContact O-CA 3.17Å; C94-N98 PolarHBondContact O-N 2.73Å; C94-R99 PolarHBondContact N-O 3Å; C94-W101 HydrophobicContact CB-CE3 4.04Å
95P92.3Very high92Very high42 Ų4291.8 Ų91.827%0.27343%0.425SS..THydrogen-bonded Turntrans-61.1-22.1177.4-22.529.9000115.6I44 F79 I84 W87I44-P95 HydrophobicContact CD1-CG 3.94Å; I44-P95 HydrophobicContact CG1-CG 3.97Å; F79-P95 HydrophobicContact CE1-CB 4.48Å; F79-P95 HydrophobicContact CE1-CG 4.21Å; F79-P95 HydrophobicContact CE2-CG 4.36Å; F79-P95 HydrophobicContact CZ-CB 4.27Å; F79-P95 HydrophobicContact CZ-CG 3.93Å; I84-P95 HydrophobicContact CD1-CG 4.29Å; W87-P95 HydrophobicContact CD2-CG 4.01Å; W87-P95 HydrophobicContact CG-CG 4.1Å; W87-P95 HydrophobicContact CZ2-CB 4.23Å; W87-P95 HydrophobicContact CZ2-CG 4.31Å
96L90.9Very high90.3Very high86 Ų8696 Ų9645%0.4544%0.436SS..THydrogen-bonded Turntrans-97.8-43.5-172.2-70.6173000113.4A43 H77 F79 C94A43-L96 HydrophobicContact CB-CD2 3.93Å; A43-L96 HydrophobicContact CB-CG 4.39Å; H77-L96 HydrophobicContact CB-CD1 4.18Å; H77-L96 WeakPolarHBondContact CD2-CD1 3.46Å; F79-L96 HydrophobicContact CE1-CD1 4.09Å; F79-L96 HydrophobicContact CE1-CG 4.32Å; F79-L96 HydrophobicContact CZ-CD1 3.81Å; F79-L96 HydrophobicContact CZ-CG 3.98Å; C94-L96 PolarHBondContact O-N 3.37Å
97D91.5Very high88Confident45 Ų4593 Ų9324%0.24145%0.448CS..THydrogen-bonded Turntrans-114.3-1.5-175.662.128.5000114.4C75 H77 C94 R99C75-D97 WeakPolarHBondContact CB-OD2 3.43Å; H77-D97 IonicContact CE1-OD2 3.41Å; H77-D97 PolarHBondContact CE1-OD2 3.33Å; H77-D97 IonicContact ND1-OD2 2.59Å; H77-D97 PolarHBondContact ND1-OD2 3.01Å; C94-D97 WeakPolarHBondContact CB-OD1 3.38Å; D97-R99 HydrophobicContact CB-CG 4.38Å; D97-R99 PolarHBondContact O-N 2.97Å; D97-R99 VanDerWaalsContact O-N 3.09Å; D97-R99 WeakPolarHBondContact OD1-CB 2.96Å; D97-R99 PolarHBondContact OD1-N 2.71Å
98N92.4Very high85.2Confident119 Ų119102.6 Ų102.664%0.63650%0.495SS*.  trans57.318.7179.9-162.762.8000114.7C94C94-N98 WeakPolarHBondContact O-CA 3.17Å; C94-N98 PolarHBondContact O-N 2.73Å
99R92.8Very high84.7Confident166 Ų166107 Ų10763%0.62652%0.516SS*.PPolyproline II helixtrans-80.8157.8171.1-62177.9-177.1177.42.5110.2V93 C94 D97 W101V93-R99 CarbonylContact C-O 3.4Å; V93-R99 WeakPolarHBondContact CA-O 3.37Å; V93-R99 WeakPolarHBondContact CB-O 3.38Å; C94-R99 PolarHBondContact N-O 3Å; D97-R99 HydrophobicContact CB-CG 4.38Å; D97-R99 PolarHBondContact O-N 2.97Å; D97-R99 VanDerWaalsContact O-N 3.09Å; D97-R99 WeakPolarHBondContact OD1-CB 2.96Å; D97-R99 PolarHBondContact OD1-N 2.71Å; R99-W101 PolarHBondContact O-N 3.15Å
100E94.7Very high84.2Confident138 Ų138103.2 Ų103.265%0.64550%0.502SS*.BIsolated β-bridgetrans-55.5132.9173.4-171.2169.1-168.800110.3Q92Q92-E100 WeakPolarHBondContact O-CA 3.43Å
101W94Very high83.7Confident11 Ų11102.6 Ų102.64%0.04249%0.491CS..PPolyproline II helixtrans-85.4122.6-177175.8-89.4000110.7F79 I84 L88 Q92 C94 R99 F103F79-W101 AromaticContact CD2-CH2 3.67Å; F79-W101 HydrophobicContact CD2-CH2 3.67Å; F79-W101 AromaticContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CD2-CZ3 3.76Å; F79-W101 HydrophobicContact CE2-CE3 4.41Å; F79-W101 AromaticContact CE2-CH2 3.99Å; F79-W101 HydrophobicContact CE2-CH2 3.99Å; F79-W101 AromaticContact CE2-CZ3 3.57Å; F79-W101 HydrophobicContact CE2-CZ3 3.57Å; I84-W101 HydrophobicContact CD1-CD2 4.02Å; I84-W101 HydrophobicContact CD1-CE3 4.14Å; I84-W101 HydrophobicContact CD1-CH2 4.48Å; I84-W101 HydrophobicContact CD1-CZ2 4.4Å; I84-W101 HydrophobicContact CD1-CZ3 4.37Å; I84-W101 HydrophobicContact CG1-CD2 3.94Å; I84-W101 HydrophobicContact CG1-CE3 4.38Å; I84-W101 HydrophobicContact CG1-CH2 4.11Å; I84-W101 HydrophobicContact CG1-CZ2 3.66Å; I84-W101 HydrophobicContact CG1-CZ3 4.47Å; I84-W101 HydrophobicContact CG2-CZ2 4.42Å; L88-W101 HydrophobicContact CD1-CG 4.09Å; L88-W101 HydrophobicContact CD2-CB 3.5Å; L88-W101 HydrophobicContact CD2-CG 3.64Å; L88-W101 HydrophobicContact CG-CG 4.41Å; Q92-W101 PolarHBondContact O-N 2.87Å; C94-W101 HydrophobicContact CB-CE3 4.04Å; R99-W101 PolarHBondContact O-N 3.15Å; W101-F103 HydrophobicContact CZ2-CD1 4.13Å; W101-F103 HydrophobicContact CZ2-CE1 4.19Å; W101-F103 AromaticContact NE1-CD1 3.58Å; W101-F103 AromaticContact NE1-CD2 3.77Å; W101-F103 AromaticContact NE1-CE1 3.48Å; W101-F103 AromaticContact NE1-CE2 3.66Å; W101-F103 AromaticContact NE1-CG 3.73Å; W101-F103 AromaticContact NE1-CZ 3.53Å
102E93.5Very high83.1Confident112 Ų11299.8 Ų99.852%0.52349%0.487SS..  trans-125.6130.4169.1-62.9-177.9-178.800109.7G73 V74 Q104G73-E102 VanDerWaalsContact CA-O 3.31Å; G73-E102 WeakPolarHBondContact CA-O 3.45Å; V74-E102 HydrophobicContact CG1-CB 4.03Å; V74-E102 HydrophobicContact CG2-CB 3.86Å; V74-E102 PolarHBondContact N-O 3.02Å; E102-Q104 PolarHBondContact O-N 3.28Å
103F91.2Very high82.4Confident90 Ų9099.1 Ų99.140%0.39549%0.485SS..BIsolated β-bridgetrans-65.3126.6174.7-68.9-80.1000110.1A71 F81 I84 L88 W101 K105A71-F103 HydrophobicContact CB-CD1 4.26Å; A71-F103 HydrophobicContact CB-CE1 4.03Å; F81-F103 HydrophobicContact CD2-CE1 4.36Å; F81-F103 HydrophobicContact CE2-CE1 4.3Å; F81-F103 HydrophobicContact CE2-CZ 4.43Å; I84-F103 HydrophobicContact CG2-CE1 4.08Å; I84-F103 HydrophobicContact CG2-CZ 4.47Å; L88-F103 HydrophobicContact CD1-CE2 3.89Å; L88-F103 HydrophobicContact CD1-CZ 3.75Å; W101-F103 HydrophobicContact CZ2-CD1 4.13Å; W101-F103 HydrophobicContact CZ2-CE1 4.19Å; W101-F103 AromaticContact NE1-CD1 3.58Å; W101-F103 AromaticContact NE1-CD2 3.77Å; W101-F103 AromaticContact NE1-CE1 3.48Å; W101-F103 AromaticContact NE1-CE2 3.66Å; W101-F103 AromaticContact NE1-CG 3.73Å; W101-F103 AromaticContact NE1-CZ 3.53Å; F103-K105 PolarHBondContact O-N 3.01Å
104Q87.8Confident81.5Confident70 Ų70103.3 Ų103.333%0.32750%0.503SS..  trans-68.9105.5169.3-168.8165.722.500108.1W72 E102 Y106W72-Q104 HydrophobicContact CB-CB 4.03Å; W72-Q104 WeakPolarHBondContact O-CB 3.35Å; W72-Q104 PolarHBondContact O-N 2.97Å; E102-Q104 PolarHBondContact O-N 3.28Å; Q104-Y106 HydrophobicContact CB-CE2 4.29Å; Q104-Y106 HydrophobicContact CG-CD2 4.34Å; Q104-Y106 HydrophobicContact CG-CE2 3.86Å; Q104-Y106 PolarHBondContact O-N 3.42Å
105K73.4Confident80.7Confident201 Ų201110.6 Ų110.687%0.87454%0.538SS*.  trans-69.9100.1176.3-66-176.5-178.9178.30108.7F103F103-K105 PolarHBondContact O-N 3.01Å
106Y54.8Low79.8Confident123 Ų123115.9 Ų115.948%0.48256%0.559SS.*  trans-77.6122.7158.5-73.7-84.4000107.4W72 Q104W72-Y106 HydrophobicContact CB-CE2 4.12Å; W72-Y106 HydrophobicContact CG-CE2 4.19Å; Q104-Y106 HydrophobicContact CB-CE2 4.29Å; Q104-Y106 HydrophobicContact CG-CD2 4.34Å; Q104-Y106 HydrophobicContact CG-CE2 3.86Å; Q104-Y106 PolarHBondContact O-N 3.42Å
107G46.2Very low78.9Confident74 Ų74118.4 Ų118.476%0.76357%0.568SS**  trans-58.7142.5166.800000109.3
108H34Very low77.7Confident272 Ų272125.1 Ų125.1100%1.25960%0.598SS**  trans-370-179.4-78.2-49.6000115.4

Retrieved 108 of 108 residues in 172.5 ms (Link to these results)