A0A087WZZ6_HUMAN Loading...

Mucin-1

AlphaFold DB , UniProt , Accession A0A087WZZ6, Species HUMAN (Homo sapiens, Human), Gene MUC1, Length 123 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
1M37.4Very low51.7Low247 Ų247111.4 Ų111.4100%1.21764%0.643SS**  096.70-74.2176.1148.500107.3
2T41.9Very low52.8Low138 Ų138110.4 Ų110.485%0.84763%0.633SS**PPolyproline II helixtrans-90.9129.9176.710.70000108.3G4T2-G4 PolarHBondContact O-N 3.35Å
3P47Very low53.6Low122 Ų122104.2 Ų104.279%0.79260%0.596SS**PPolyproline II helixtrans-60.9132174.4-16.829.6000109.3T5P3-T5 PolarHBondContact O-N 3.3Å
4G45.2Very low54.2Low74 Ų74100.2 Ų100.276%0.76357%0.572SS**PPolyproline II helixtrans-57.2121.6-17800000111.6T2 Q6T2-G4 PolarHBondContact O-N 3.35Å; G4-Q6 PolarHBondContact O-N 3.3Å
5T50.7Low54.4Low143 Ų143100.7 Ų100.788%0.87757%0.572SS**  trans-59104.616216.30000108P3 S7P3-T5 PolarHBondContact O-N 3.3Å; T5-S7 PolarHBondContact O-N 3.36Å
6Q53.4Low54.6Low128 Ų12899.1 Ų99.160%0.59856%0.564SS**  trans-61126.2163.2-84.1-149.8-33.200108.2G4G4-Q6 PolarHBondContact O-N 3.3Å
7S52.8Low54.8Low32 Ų3296.8 Ų96.822%0.22455%0.552CS.*  trans-58.6132.3176.2178.20000109.2T5 F9 F10T5-S7 PolarHBondContact O-N 3.36Å; S7-F9 PolarHBondContact O-N 3.25Å; S7-F9 VanDerWaalsContact O-N 3.07Å; S7-F10 PolarHBondContact O-N 2.84Å
8P59Low54.7Low84 Ų8498.4 Ų98.455%0.54556%0.558SS.*Hα-helixtrans-58.7-23.6-179.524.2-33.8000112.5L11 L12P8-L11 PolarHBondContact O-N 3.17Å; P8-L12 VanDerWaalsContact O-CD1 3.3Å; P8-L12 WeakPolarHBondContact O-CD1 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å
9F58.4Low54.3Low127 Ų12798.7 Ų98.756%0.55756%0.563SS**Hα-helixtrans-66.4-36.1-179.9-71.9-80.1000113.9S7 L11 L12 L13S7-F9 PolarHBondContact O-N 3.25Å; S7-F9 VanDerWaalsContact O-N 3.07Å; F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 2.68Å; F9-L12 PolarHBondContact O-N 3.36Å; F9-L12 VanDerWaalsContact O-N 3.15Å; F9-L13 PolarHBondContact O-N 3.11Å
10F59.5Low54.1Low28 Ų2897.9 Ų97.912%0.12357%0.568CS.*Hα-helixtrans-60.2-39.6177.2-178.7-105.2000111.5S7 L13 L14 E102S7-F10 PolarHBondContact O-N 2.84Å; F10-L13 PolarHBondContact O-N 3.35Å; F10-L14 HydrophobicContact CD1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CD1 3.1Å; F10-L14 HydrophobicContact CE2-CD1 4.16Å; F10-L14 HydrophobicContact CG-CD1 4.39Å; F10-L14 HydrophobicContact CZ-CD1 3.39Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.04Å; F10-E102 HydrophobicContact CE2-CB 4.05Å; F10-E102 WeakPolarHBondContact CE2-OE2 3.42Å
11L63.7Low53.5Low102 Ų10298.6 Ų98.653%0.53458%0.575SS.*Hα-helixtrans-66.7-39.2176.9-63.9176000112.1P8 F9 L15P8-L11 PolarHBondContact O-N 3.17Å; F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 2.68Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 PolarHBondContact O-N 3.45Å
12L64.2Low53.6Low100 Ų10093.2 Ų93.252%0.52456%0.556SS.*Hα-helixtrans-66.1-39.8174.8-86.3112.7000112.1P8 F9 L15 T16P8-L12 VanDerWaalsContact O-CD1 3.3Å; P8-L12 WeakPolarHBondContact O-CD1 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å; F9-L12 PolarHBondContact O-N 3.36Å; F9-L12 VanDerWaalsContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-N 2.95Å; L12-T16 PolarHBondContact O-OG1 3.02Å
13L64.4Low53.9Low29 Ų2991.1 Ų91.115%0.15255%0.552CS.*Hα-helixtrans-64.6-47.5176.4-172.962.9000110.9F9 F10 L15 T16 V17 D99 M103F9-L13 PolarHBondContact O-N 3.11Å; F10-L13 PolarHBondContact O-N 3.35Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.21Å; L13-T16 WeakPolarHBondContact O-CB 3.42Å; L13-T16 PolarHBondContact O-N 3.3Å; L13-V17 PolarHBondContact O-N 3.12Å; L13-V17 VanDerWaalsContact O-N 3.11Å; L13-D99 HydrophobicContact CD2-CB 4.32Å; L13-M103 HydrophobicContact CD1-SD 3.71Å; L13-M103 HydrophobicContact CD2-CB 4Å; L13-M103 HydrophobicContact CD2-CG 4.37Å; L13-M103 HydrophobicContact CD2-SD 3.85Å; L13-M103 HydrophobicContact CG-CG 4.46Å; L13-M103 HydrophobicContact CG-SD 3.66Å
14L62Low53.6Low49 Ų4991.7 Ų91.726%0.25756%0.556SS.*Hα-helixtrans-57.6-44.1174.3-111.2146.3000112.7F10 T16 V17 L18F10-L14 HydrophobicContact CD1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CD1 3.1Å; F10-L14 HydrophobicContact CE2-CD1 4.16Å; F10-L14 HydrophobicContact CG-CD1 4.39Å; F10-L14 HydrophobicContact CZ-CD1 3.39Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.04Å; L14-T16 VanDerWaalsContact C-N 3.3Å; L14-T16 PolarHBondContact O-N 3.14Å; L14-V17 PolarHBondContact O-N 3.34Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.48Å
15L56.3Low53.3Low108 Ų10897.1 Ų97.157%0.56556%0.558SS**Hα-helixtrans-63.5-38.8179.2-171.562.8000111.4L11 L12 L13 L18 T19L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.21Å; L15-L18 PolarHBondContact O-N 2.93Å; L15-T19 PolarHBondContact O-N 2.77Å; L15-T19 PolarHBondContact O-OG1 3.19Å
16T58.5Low53.4Low74 Ų7495.2 Ų95.245%0.45455%0.549SS..Hα-helixtrans-63.3-45.2177-54.30000111.4L12 L13 L14 L18 T19L12-T16 PolarHBondContact O-N 2.95Å; L12-T16 PolarHBondContact O-OG1 3.02Å; L13-T16 WeakPolarHBondContact O-CB 3.42Å; L13-T16 PolarHBondContact O-N 3.3Å; L14-T16 VanDerWaalsContact C-N 3.3Å; L14-T16 PolarHBondContact O-N 3.14Å; T16-L18 PolarHBondContact O-N 3.08Å; T16-T19 PolarHBondContact O-N 2.83Å
17V57.5Low52.6Low60 Ų6094 Ų9436%0.36456%0.56SS.*Hα-helixtrans-62.7-42.5176.4175.40000111.5L13 L14 T19 A20 M103L13-V17 PolarHBondContact O-N 3.12Å; L13-V17 VanDerWaalsContact O-N 3.11Å; L14-V17 PolarHBondContact O-N 3.34Å; V17-T19 PolarHBondContact O-N 3.12Å; V17-A20 PolarHBondContact O-N 2.9Å; V17-M103 HydrophobicContact CG2-CG 3.93Å; V17-M103 HydrophobicContact CG2-SD 3.47Å; V17-M103 WeakPolarHBondContact CG2-SD 3.29Å
18L52.1Low52.3Low126 Ų12698.1 Ų98.166%0.6658%0.584SS**Hα-helixtrans-66.7-27.2-177.4-15371.4000112.7L14 L15 T16 A20 T21L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.48Å; L15-L18 PolarHBondContact O-N 2.93Å; T16-L18 PolarHBondContact O-N 3.08Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-T21 PolarHBondContact O-OG1 2.91Å
19T47.3Very low51.3Low105 Ų105100.6 Ų100.664%0.64460%0.598SS**Hα-helixtrans-81.1-12.2-177.5-43.30000112.7L15 T16 V17L15-T19 PolarHBondContact O-N 2.77Å; L15-T19 PolarHBondContact O-OG1 3.19Å; T16-T19 PolarHBondContact O-N 2.83Å; V17-T19 PolarHBondContact O-N 3.12Å
20A50.9Low50.5Low81 Ų81100.7 Ų100.767%0.66961%0.608SS**THydrogen-bonded Turntrans-84.8-7.7-178.300000114.8V17 L18 T22V17-A20 PolarHBondContact O-N 2.9Å; L18-A20 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 2.7Å
21T41.5Very low49.3Very low114 Ų114105.6 Ų105.670%0.69964%0.641SS**  trans-94.974.8179.436.20000112.9L18L18-T21 PolarHBondContact O-OG1 2.91Å
22T39.7Very low47.8Very low134 Ų134103.8 Ų103.882%0.82265%0.647SS**  trans-129.7113.1150.442.70000109A20A20-T22 PolarHBondContact O-N 2.7Å
23A47.1Very low46.2Very low94 Ų94105.4 Ų105.478%0.77767%0.666SS**  trans-79.8176.5-166.500000113.9
24P42.4Very low44.6Very low133 Ų133107.8 Ų107.886%0.86470%0.698SS**  -138.2150.383.427.5-7.7000116.8
25K38.1Very low43.3Very low188 Ų188114.8 Ų114.882%0.81773%0.729SS**  trans-80.1177.1161.5-140.8-163.7155.6161.50109.1
26P53.2Low42.1Very low104 Ų104114.6 Ų114.668%0.67574%0.743SS**  cis-138.6174.5-8.841.5-24000116
27A35.2Very low40.9Very low101 Ų101116.3 Ų116.384%0.83576%0.758SS**  trans-161.4127.2140.500000112.8
28T46.8Very low39.7Very low120 Ų120119.2 Ų119.274%0.73678%0.781SS**  trans-92139.1174.9-61.90000109.6
29V38.6Very low38.7Very low136 Ų136119.5 Ų119.582%0.82479%0.788SS**  trans-136.1119.5156-179.40000109.8
30V41.8Very low38.7Very low129 Ų129120.3 Ų120.378%0.78280%0.795SS**  trans-108.3131.5167.5160.40000107.3
31T34.1Very low37.6Very low130 Ų130120.5 Ų120.580%0.79881%0.805SS**  trans-170.9131.6152.4-13.80000106.6
32G32.5Very low37.1Very low65 Ų65118.5 Ų118.567%0.6781%0.807SS**  cis114.1120.618.800000109.7
33S31.4Very low36.8Very low133 Ų133121.2 Ų121.293%0.9381%0.811SS**  trans105.1127.9157.5-158.50000119.3
34G30.3Very low36.2Very low79 Ų79125.6 Ų125.681%0.81481%0.812SS**  trans-178.661.1171.100000111.6
35H33.2Very low35.6Very low196 Ų196126.2 Ų126.291%0.90780%0.804SS**  trans-87.3128.6173-126.3-151.6000109
36A32.2Very low35.1Very low105 Ų105122.9 Ų122.987%0.86880%0.799SS**  trans-147.9121158.300000110.6
37S33.2Very low34Very low110 Ų110123.6 Ų123.677%0.76981%0.806SS**  trans-72.1149.5178.7170.20000112.5
38S31.8Very low33.7Very low120 Ų120123.4 Ų123.484%0.83981%0.805SS**  -176.7133.4129.2-73.30000112.3
39T31.3Very low33.1Very low132 Ų132124.2 Ų124.281%0.8181%0.81SS**  trans-133.2179.5166.8-16.10000106.3
40P48Very low32.9Very low123 Ų123126.8 Ų126.880%0.79981%0.813SS**  cis-132174.7-32.323.2-0.2000114.2
41G27.9Very low33Very low84 Ų84132.6 Ų132.687%0.86682%0.821SS**  trans105.6143.5148.900000116.4
42G30.9Very low33.1Very low73 Ų73131.1 Ų131.175%0.75382%0.816SS**  cis159.5132.5-5.100000110.4
43E32.1Very low33.4Very low191 Ų191133.8 Ų133.889%0.89382%0.824SS**  trans174.4110.4157.248.3-164.3153.300109.8
44K35.2Very low34.1Very low185 Ų185132.9 Ų132.980%0.80481%0.813SS**  51.412093.2-141.8-172.7177.2-1380113.6
45E29Very low34.8Very low147 Ų147134.3 Ų134.369%0.68781%0.808SS**  -177.5144.966.2-169.8147.3128.100113.2
46T27.8Very low35.5Very low117 Ų117130.3 Ų130.372%0.71880%0.802SS**  trans4.5143.8165.5580000128.7
47S30.5Very low36.5Very low119 Ų119129.9 Ų129.983%0.83279%0.793SS**  trans77.7113.2132.4-800000123
48A28.8Very low37.4Very low98 Ų98130.3 Ų130.381%0.8179%0.79SS**  170.9129.1103.100000113.4
49T35Very low38.7Very low136 Ų136132.2 Ų132.283%0.83479%0.786SS**  trans1118.8155.5-52.70000120.1
50Q34.2Very low40Very low191 Ų191134.9 Ų134.989%0.89379%0.787SS**  -158130.2124.2-116.7-175.3-20.200112.8S52Q50-S52 PolarHBondContact O-N 2.73Å
51R43Very low40.7Very low251 Ų251136.2 Ų136.295%0.94779%0.787SS**  trans-57.3126175.2-79.5174.1167.2160.1-5.4111.5
52S37.3Very low42.6Very low98 Ų98136.6 Ų136.669%0.68578%0.782SS**  trans-160.996.5131.6-172.30000107.8Q50 V54Q50-S52 PolarHBondContact O-N 2.73Å; S52-V54 PolarHBondContact O-N 2.87Å
53S37.9Very low44.1Very low122 Ų122140.6 Ų140.685%0.85379%0.785SS**  trans-71.384.816747.80000107.7
54V46.8Very low46.1Very low113 Ų113136.9 Ų136.969%0.68578%0.781SS**  trans-59.1130163.1-176.60000106S52 S56S52-V54 PolarHBondContact O-N 2.87Å; V54-S56 PolarHBondContact O-N 3.44Å; V54-S56 VanDerWaalsContact O-N 3.12Å
55P45.3Very low48Very low110 Ų110133.7 Ų133.771%0.71478%0.777SS**  trans-56.9126.9178.323.7-31.4000107.7S57P55-S57 PolarHBondContact O-N 2.81Å
56S47.4Very low50.7Low112 Ų112129.8 Ų129.878%0.78378%0.776SS**  trans-42.9105.3171.6179.50000107.6V54 T58V54-S56 PolarHBondContact O-N 3.44Å; V54-S56 VanDerWaalsContact O-N 3.12Å; S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 2.94Å
57S52.4Low53.7Low96 Ų96128.3 Ų128.367%0.67177%0.767SS**  trans-64.6100.3171.139.20000104.2P55 E59P55-S57 PolarHBondContact O-N 2.81Å; S57-E59 VanDerWaalsContact C-N 3.28Å; S57-E59 PolarHBondContact O-N 3.42Å
58T53Low56.7Low118 Ų118127.1 Ų127.172%0.72476%0.758SS**  trans-46.4104165-56.80000105.8S56 K60S56-T58 VanDerWaalsContact C-N 3.25Å; S56-T58 PolarHBondContact O-N 2.94Å; T58-K60 PolarHBondContact O-N 3.43Å
59E58.1Low59.8Low161 Ų161130.5 Ų130.575%0.75276%0.755SS**  trans-63.292.7171.6-66.9-162.6161.600105S57 N61S57-E59 VanDerWaalsContact C-N 3.28Å; S57-E59 PolarHBondContact O-N 3.42Å; E59-N61 PolarHBondContact O-N 3.37Å
60K59.7Low62.6Low188 Ų188132.7 Ų132.782%0.81775%0.753SS**  trans-61.198.2162-65.9-176.7-178.3179.40103T58 A62T58-K60 PolarHBondContact O-N 3.43Å; K60-A62 PolarHBondContact O-N 3.28Å
61N62.8Low65.6Low150 Ų150133.6 Ų133.680%0.80275%0.754SS**  trans-55.990.8165.5-86.2-82.5000105.6E59 L63E59-N61 PolarHBondContact O-N 3.37Å; N61-L63 VanDerWaalsContact C-N 3.26Å; N61-L63 PolarHBondContact O-N 3.03Å
62A66.9Low68.1Low93 Ų93126.8 Ų126.877%0.76974%0.737SS**  trans-7193.8176.900000105.2K60 S64K60-A62 PolarHBondContact O-N 3.28Å; A62-S64 VanDerWaalsContact C-N 3.35Å; A62-S64 PolarHBondContact O-N 3.16Å
63L64Low70.9Confident156 Ų156127.7 Ų127.782%0.81774%0.743SS**  trans-60.6102.1170.9-171.785.8000106.8N61 T65N61-L63 VanDerWaalsContact C-N 3.26Å; N61-L63 PolarHBondContact O-N 3.03Å; L63-T65 PolarHBondContact O-N 2.99Å
64S72.6Confident73.6Confident114 Ų114126.7 Ų126.780%0.79772%0.723SS**  trans-76.4102.2173.1-172.40000107.8A62 G66A62-S64 VanDerWaalsContact C-N 3.35Å; A62-S64 PolarHBondContact O-N 3.16Å; S64-G66 PolarHBondContact O-N 3.32Å; S64-G66 VanDerWaalsContact O-N 3.08Å
65T75.6Confident75.9Confident118 Ų118129 Ų12972%0.72473%0.726SS**  trans-73.497.3168.9-53.90000107.8L63L63-T65 PolarHBondContact O-N 2.99Å
66G86.6Confident78.2Confident65 Ų65125.8 Ų125.867%0.6770%0.702SS**  trans-68.8132.9174.800000111.1S64S64-G66 PolarHBondContact O-N 3.32Å; S64-G66 VanDerWaalsContact O-N 3.08Å
67V90.6Very high80.4Confident86 Ų86126.2 Ų126.252%0.52171%0.705SS.*  trans-98.5140.5168.5-64.20000109.2F69 L114V67-F69 HydrophobicContact CG2-CE2 3.95Å; V67-F69 HydrophobicContact CG2-CZ 4.22Å; V67-L114 HydrophobicContact CB-CD1 4.44Å; V67-L114 HydrophobicContact CG1-CD1 3.67Å
68S91.8Very high82.2Confident93 Ų93126.6 Ų126.665%0.6570%0.7SS**  trans-117.6144.2176.1-64.30000109.8
69F94.3Very high84.2Confident170 Ų170123 Ų12375%0.74668%0.676SS**  trans-115.2140.8176.8-61.5-86.5000109.4V67V67-F69 HydrophobicContact CG2-CE2 3.95Å; V67-F69 HydrophobicContact CG2-CZ 4.22Å
70F94.7Very high85.9Confident181 Ų181123.8 Ų123.879%0.79468%0.68SS**  trans-128.6144.2179.4-58.9-87000109
71F96.1Very high87.7Confident210 Ų210117.9 Ų117.992%0.92165%0.654SS**  trans-96.7133168.2-62.5-78.3000108.7
72L95.9Very high89.3Confident109 Ų109113.5 Ų113.557%0.57163%0.631SS**  trans-133.2133.4178.4-178.763.6000109.1F74 F104L72-F74 HydrophobicContact CD2-CD1 4.46Å; L72-F74 HydrophobicContact CG-CD1 4.28Å; L72-F104 HydrophobicContact CD2-CE1 3.48Å; L72-F104 VanDerWaalsContact CD2-CE1 3.48Å; L72-F104 HydrophobicContact CD2-CZ 3.48Å; L72-F104 VanDerWaalsContact CD2-CZ 3.48Å
73S96.1Very high90.8Very high116 Ų116113 Ų11381%0.81162%0.622SS**  trans-135136.5175.8-54.30000108.7
74F95.9Very high92.4Very high101 Ų101107.6 Ų107.644%0.44360%0.597SS.*  trans-153.6160.6179.762.5-85.8000109.2L72 I76 I100 F104L72-F74 HydrophobicContact CD2-CD1 4.46Å; L72-F74 HydrophobicContact CG-CD1 4.28Å; F74-I76 HydrophobicContact CD2-CG1 4.07Å; F74-I76 HydrophobicContact CE2-CD1 3.98Å; F74-I76 HydrophobicContact CE2-CG1 3.61Å; F74-I100 HydrophobicContact CZ-CG2 4.47Å; F74-F104 HydrophobicContact CE1-CE2 4.09Å; F74-F104 HydrophobicContact CE1-CZ 4.04Å; F74-F104 HydrophobicContact CZ-CE2 4.18Å
75H94.8Very high93.6Very high161 Ų161102.3 Ų102.375%0.74556%0.56SS**  trans-99.1143.1175.4-68.8-83.5000111.1
76I93.1Very high94.6Very high43 Ų43103.1 Ų103.122%0.22156%0.555CS.*  trans-107.292.8172.2-56.1174.4000107.6F74 N78 L79 I100F74-I76 HydrophobicContact CD2-CG1 4.07Å; F74-I76 HydrophobicContact CE2-CD1 3.98Å; F74-I76 HydrophobicContact CE2-CG1 3.61Å; I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 VanDerWaalsContact CG2-OD1 3.25Å; I76-N78 WeakPolarHBondContact CG2-OD1 3.27Å; I76-N78 PolarHBondContact O-N 3.43Å; I76-L79 HydrophobicContact CB-CB 4.44Å; I76-L79 HydrophobicContact CG2-CB 3.7Å; I76-L79 PolarHBondContact O-N 3.21Å; I76-I100 HydrophobicContact CD1-CD1 3.77Å
77S93.6Very high95.2Very high121 Ų121103.5 Ų103.585%0.84654%0.542SS*.THydrogen-bonded Turntrans-73.4-20.5-172.4-52.20000114.2L79S77-L79 VanDerWaalsContact C-N 3.25Å; S77-L79 PolarHBondContact O-N 2.92Å
78N91.3Very high95.5Very high104 Ų104102.7 Ų102.756%0.55654%0.539SS*.THydrogen-bonded Turntrans-88.614.418066.2-60.9000113.4I76I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 VanDerWaalsContact CG2-OD1 3.25Å; I76-N78 WeakPolarHBondContact CG2-OD1 3.27Å; I76-N78 PolarHBondContact O-N 3.43Å
79L93.9Very high95.8Very high44 Ų44102.1 Ų102.123%0.2353%0.534CS..SBendtrans-137.8129.1-179.3-174.3150.6000108.7I76 S77 L85 Y92 L96I76-L79 HydrophobicContact CB-CB 4.44Å; I76-L79 HydrophobicContact CG2-CB 3.7Å; I76-L79 PolarHBondContact O-N 3.21Å; S77-L79 VanDerWaalsContact C-N 3.25Å; S77-L79 PolarHBondContact O-N 2.92Å; L79-L85 HydrophobicContact CD2-CD1 3.54Å; L79-Y92 WeakPolarHBondContact CD1-OH 3.25Å; L79-L96 HydrophobicContact CD1-CD1 3.74Å; L79-L96 HydrophobicContact CD1-CD2 3.64Å; L79-L96 HydrophobicContact CD1-CG 4.35Å; L79-L96 HydrophobicContact CD2-CD2 4.35Å
80Q94.6Very high96Very high177 Ų17795.5 Ų95.583%0.82751%0.508SS*.  trans-88131.2177.5-70-173.373.600110.4N82Q80-N82 PolarHBondContact O-ND2 2.94Å
81F96.8Very high96.2Very high64 Ų6492.9 Ų92.928%0.28150%0.502SS..  trans-64.8142.1174.7-166-94.7000110.8L85 E86 F121 E123F81-L85 HydrophobicContact CD2-CB 4.07Å; F81-L85 HydrophobicContact CD2-CD1 4.08Å; F81-L85 HydrophobicContact CE2-CB 3.7Å; F81-L85 HydrophobicContact CZ-CB 4.16Å; F81-E86 HydrophobicContact CE1-CG 3.56Å; F81-E86 HydrophobicContact CZ-CG 3.65Å; F81-F121 HydrophobicContact CE2-CB 3.87Å; F81-E123 HydrophobicContact CD1-CB 4.03Å; F81-E123 HydrophobicContact CD1-CG 4.49Å; F81-E123 HydrophobicContact CE1-CB 4.43Å; F81-E123 HydrophobicContact CG-CB 4.26Å
82N96.4Very high96.2Very high57 Ų5786.5 Ų86.531%0.30547%0.473SS..  trans-154.5170.1-179.366.264.8000111.2Q80 S84 L85 Y92Q80-N82 PolarHBondContact O-ND2 2.94Å; N82-S84 PolarHBondContact O-N 3.15Å; N82-S84 VanDerWaalsContact O-N 3.14Å; N82-S84 WeakPolarHBondContact OD1-CA 3.34Å; N82-S84 VanDerWaalsContact OD1-CB 3.26Å; N82-S84 WeakPolarHBondContact OD1-CB 3.48Å; N82-S84 PolarHBondContact OD1-N 3.37Å; N82-L85 WeakPolarHBondContact O-CB 3.37Å; N82-L85 PolarHBondContact O-N 3.29Å; N82-Y92 WeakPolarHBondContact ND2-CE1 3.49Å
83S97.9Very high96.3Very high84 Ų8482 Ų8259%0.58745%0.448SS*.G310 helixtrans-59.4-26.1-175.758.60000114.7L85 E86S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 3.5Å; S83-E86 WeakPolarHBondContact O-CB 3.42Å; S83-E86 PolarHBondContact O-N 2.99Å
84S97.9Very high96.4Very high42 Ų4281.3 Ų81.329%0.29443%0.432SS..G310 helixtrans-68.4-30.6174.5-59.50000111.7N82 E86 D87 T90N82-S84 PolarHBondContact O-N 3.15Å; N82-S84 VanDerWaalsContact O-N 3.14Å; N82-S84 WeakPolarHBondContact OD1-CA 3.34Å; N82-S84 VanDerWaalsContact OD1-CB 3.26Å; N82-S84 WeakPolarHBondContact OD1-CB 3.48Å; N82-S84 PolarHBondContact OD1-N 3.37Å; S84-E86 PolarHBondContact O-N 3.04Å; S84-D87 PolarHBondContact O-N 3.47Å; S84-D87 VanDerWaalsContact O-O 3.07Å; S84-T90 PolarHBondContact O-OG1 3.39Å
85L97.8Very high96.5Very high2 Ų280.6 Ų80.61%0.0143%0.43CS..G310 helixtrans-77.9-7.7175.7-59.8176.6000113.4L79 F81 N82 S83 Y92 Y93 L96 F121L79-L85 HydrophobicContact CD2-CD1 3.54Å; F81-L85 HydrophobicContact CD2-CB 4.07Å; F81-L85 HydrophobicContact CD2-CD1 4.08Å; F81-L85 HydrophobicContact CE2-CB 3.7Å; F81-L85 HydrophobicContact CZ-CB 4.16Å; N82-L85 WeakPolarHBondContact O-CB 3.37Å; N82-L85 PolarHBondContact O-N 3.29Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 PolarHBondContact O-N 3.5Å; L85-Y92 HydrophobicContact CD1-CE1 4.1Å; L85-Y92 HydrophobicContact CD2-CD1 3.62Å; L85-Y92 HydrophobicContact CD2-CE1 3.6Å; L85-Y92 HydrophobicContact CG-CD1 4Å; L85-Y92 HydrophobicContact CG-CE1 3.82Å; L85-Y93 VanDerWaalsContact O-CD2 3.31Å; L85-Y93 WeakPolarHBondContact O-CD2 3.44Å; L85-Y93 VanDerWaalsContact O-CE2 3.24Å; L85-Y93 WeakPolarHBondContact O-CE2 3.44Å; L85-L96 HydrophobicContact CD1-CD2 4.48Å; L85-L96 HydrophobicContact CD2-CD2 3.74Å; L85-F121 HydrophobicContact CB-CB 4.18Å; L85-F121 HydrophobicContact CD2-CD2 4.08Å; L85-F121 HydrophobicContact CD2-CE2 4.43Å
86E97.6Very high96.6Very high135 Ų13574 Ų7463%0.63140%0.4SS*.G310 helixtrans-82.7-25.5171.4-60.7176.315800112F81 S83 S84F81-E86 HydrophobicContact CE1-CG 3.56Å; F81-E86 HydrophobicContact CZ-CG 3.65Å; S83-E86 WeakPolarHBondContact O-CB 3.42Å; S83-E86 PolarHBondContact O-N 2.99Å; S84-E86 PolarHBondContact O-N 3.04Å
87D97.9Very high96.8Very high73 Ų7374.9 Ų74.939%0.3940%0.404SS..  trans-114.5109.2-175.2-177.9-3.5000111.8S84 S89 T90 Y93S84-D87 PolarHBondContact O-N 3.47Å; S84-D87 VanDerWaalsContact O-O 3.07Å; D87-S89 PolarHBondContact O-N 3.03Å; D87-S89 VanDerWaalsContact OD1-CB 3.26Å; D87-S89 WeakPolarHBondContact OD1-CB 3.25Å; D87-S89 PolarHBondContact OD1-N 3.47Å; D87-S89 PolarHBondContact OD1-OG 3.44Å; D87-S89 PolarHBondContact OD2-OG 2.89Å; D87-T90 HydrophobicContact CB-CG2 3.94Å; D87-T90 WeakPolarHBondContact O-CG2 3.41Å; D87-T90 PolarHBondContact O-N 3.4Å; D87-T90 VanDerWaalsContact O-N 3.1Å; D87-T90 PolarHBondContact O-OG1 2.99Å; D87-T90 VanDerWaalsContact O-OG1 3.14Å; D87-Y93 WeakPolarHBondContact O-CB 3.34Å
88P97.6Very high97Very high70 Ų7074.8 Ų74.846%0.45539%0.385SS..THydrogen-bonded Turntrans-61.3-14.2177.8-22.333.2000115.4T90 Y93 Q94P88-T90 VanDerWaalsContact C-N 3.29Å; P88-Y93 HydrophobicContact CB-CD1 4.11Å; P88-Y93 HydrophobicContact CB-CE1 3.94Å; P88-Y93 HydrophobicContact CB-CE2 4.35Å; P88-Y93 HydrophobicContact CB-CG 4.44Å; P88-Y93 HydrophobicContact CG-CD2 4.49Å; P88-Y93 HydrophobicContact CG-CE1 4.3Å; P88-Y93 HydrophobicContact CG-CE2 4.01Å; P88-Q94 WeakPolarHBondContact O-CG 3.49Å; P88-Q94 PolarHBondContact O-NE2 2.93Å; P88-Q94 VanDerWaalsContact O-NE2 3.14Å
89S97.8Very high97.2Very high80 Ų8070.3 Ų70.356%0.55936%0.361SS*.THydrogen-bonded Turntrans-79.1-12.9177.276.70000113.3D87D87-S89 PolarHBondContact O-N 3.03Å; D87-S89 VanDerWaalsContact OD1-CB 3.26Å; D87-S89 WeakPolarHBondContact OD1-CB 3.25Å; D87-S89 PolarHBondContact OD1-N 3.47Å; D87-S89 PolarHBondContact OD1-OG 3.44Å; D87-S89 PolarHBondContact OD2-OG 2.89Å
90T98.4Very high97.2Very high32 Ų3268.6 Ų68.620%0.19635%0.352CS..SBendtrans-76.4145.2179.572.60000112.2S84 D87 P88 Y92 Y93 Q94S84-T90 PolarHBondContact O-OG1 3.39Å; D87-T90 HydrophobicContact CB-CG2 3.94Å; D87-T90 WeakPolarHBondContact O-CG2 3.41Å; D87-T90 PolarHBondContact O-N 3.4Å; D87-T90 VanDerWaalsContact O-N 3.1Å; D87-T90 PolarHBondContact O-OG1 2.99Å; D87-T90 VanDerWaalsContact O-OG1 3.14Å; P88-T90 VanDerWaalsContact C-N 3.29Å; T90-Y92 PolarHBondContact O-N 3.36Å; T90-Y93 PolarHBondContact O-N 3.07Å; T90-Y93 WeakPolarHBondContact OG1-CB 3.31Å; T90-Y93 PolarHBondContact OG1-N 3.33Å; T90-Q94 WeakPolarHBondContact O-CG 3.42Å; T90-Q94 PolarHBondContact O-N 3.48Å
91D98.1Very high97.2Very high125 Ų12561.6 Ų61.667%0.66832%0.323SS*.Hα-helixtrans-56.5-41.1175.9-63.3-21.7000111.2Y93 Q94 E95D91-Y93 PolarHBondContact O-N 2.87Å; D91-Q94 PolarHBondContact O-N 2.75Å; D91-E95 WeakPolarHBondContact O-CB 3.35Å; D91-E95 WeakPolarHBondContact O-CG 3.46Å; D91-E95 PolarHBondContact O-N 3.34Å
92Y97.8Very high97Very high77 Ų7762.5 Ų62.530%0.30233%0.328SS..Hα-helixtrans-63.7-41.5-178.7-173.9-120.9000112.9L79 N82 L85 T90 L96L79-Y92 WeakPolarHBondContact CD1-OH 3.25Å; N82-Y92 WeakPolarHBondContact ND2-CE1 3.49Å; L85-Y92 HydrophobicContact CD1-CE1 4.1Å; L85-Y92 HydrophobicContact CD2-CD1 3.62Å; L85-Y92 HydrophobicContact CD2-CE1 3.6Å; L85-Y92 HydrophobicContact CG-CD1 4Å; L85-Y92 HydrophobicContact CG-CE1 3.82Å; T90-Y92 PolarHBondContact O-N 3.36Å; Y92-L96 WeakPolarHBondContact O-CB 3.04Å; Y92-L96 PolarHBondContact O-N 3.22Å; Y92-L96 VanDerWaalsContact O-N 3.1Å
93Y98.3Very high96.9Very high13 Ų1360.9 Ų60.95%0.05132%0.318CS..Hα-helixtrans-60.5-48.2174.2-171-69.2000110.8L85 D87 P88 T90 D91 L96 Q97 I119 K120 F121L85-Y93 VanDerWaalsContact O-CD2 3.31Å; L85-Y93 WeakPolarHBondContact O-CD2 3.44Å; L85-Y93 VanDerWaalsContact O-CE2 3.24Å; L85-Y93 WeakPolarHBondContact O-CE2 3.44Å; D87-Y93 WeakPolarHBondContact O-CB 3.34Å; P88-Y93 HydrophobicContact CB-CD1 4.11Å; P88-Y93 HydrophobicContact CB-CE1 3.94Å; P88-Y93 HydrophobicContact CB-CE2 4.35Å; P88-Y93 HydrophobicContact CB-CG 4.44Å; P88-Y93 HydrophobicContact CG-CD2 4.49Å; P88-Y93 HydrophobicContact CG-CE1 4.3Å; P88-Y93 HydrophobicContact CG-CE2 4.01Å; T90-Y93 PolarHBondContact O-N 3.07Å; T90-Y93 WeakPolarHBondContact OG1-CB 3.31Å; T90-Y93 PolarHBondContact OG1-N 3.33Å; D91-Y93 PolarHBondContact O-N 2.87Å; Y93-L96 PolarHBondContact O-N 3.26Å; Y93-Q97 HydrophobicContact CD1-CB 4.49Å; Y93-Q97 VanDerWaalsContact O-CB 3.28Å; Y93-Q97 WeakPolarHBondContact O-CB 3.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Y93-I119 PolarHBondContact OH-O 3.14Å; Y93-K120 WeakPolarHBondContact OH-CA 3.48Å; Y93-F121 HydrophobicContact CD1-CD2 4.35Å; Y93-F121 HydrophobicContact CD1-CE2 4.02Å; Y93-F121 AromaticContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CE2 4.16Å; Y93-F121 HydrophobicContact CE1-CD2 4.11Å; Y93-F121 AromaticContact CE1-CE2 3.91Å; Y93-F121 HydrophobicContact CE1-CE2 3.91Å; Y93-F121 AromaticContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CD2 3.44Å; Y93-F121 VanDerWaalsContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CE2 4.07Å; Y93-F121 HydrophobicContact CE2-CG 4.45Å; Y93-F121 HydrophobicContact CG-CD2 4.13Å; Y93-F121 HydrophobicContact CG-CE2 4.11Å; Y93-F121 AromaticContact CZ-CD2 3.64Å; Y93-F121 AromaticContact CZ-CE2 3.91Å
94Q97.9Very high96.6Very high102 Ų10257.6 Ų57.648%0.47729%0.294SS..Hα-helixtrans-66.4-40.2-176-67177.912.600112.2P88 T90 D91 Q97 R98P88-Q94 WeakPolarHBondContact O-CG 3.49Å; P88-Q94 PolarHBondContact O-NE2 2.93Å; P88-Q94 VanDerWaalsContact O-NE2 3.14Å; T90-Q94 WeakPolarHBondContact O-CG 3.42Å; T90-Q94 PolarHBondContact O-N 3.48Å; D91-Q94 PolarHBondContact O-N 2.75Å; Q94-Q97 PolarHBondContact O-N 2.98Å; Q94-R98 WeakPolarHBondContact O-CB 3.39Å; Q94-R98 PolarHBondContact O-N 2.95Å
95E97.6Very high96.2Very high87 Ų8760.3 Ų60.341%0.40730%0.304SS..Hα-helixtrans-61.8-50.3174.5-75.5-172.6172.100111.4D91 Q97 R98 D99D91-E95 WeakPolarHBondContact O-CB 3.35Å; D91-E95 WeakPolarHBondContact O-CG 3.46Å; D91-E95 PolarHBondContact O-N 3.34Å; E95-Q97 VanDerWaalsContact C-N 3.28Å; E95-Q97 PolarHBondContact O-N 2.9Å; E95-R98 WeakPolarHBondContact O-CB 3.44Å; E95-R98 PolarHBondContact O-N 3.31Å; E95-R98 VanDerWaalsContact O-N 3.16Å; E95-D99 VanDerWaalsContact O-CG 3.26Å; E95-D99 PolarHBondContact O-N 3.06Å
96L97.2Very high95.8Very high21 Ų2164 Ų6411%0.1132%0.321CS..Hα-helixtrans-62.2-38.9179.3-17661.7000111.7L79 L85 Y92 Y93 D99 I100 F121L79-L96 HydrophobicContact CD1-CD1 3.74Å; L79-L96 HydrophobicContact CD1-CD2 3.64Å; L79-L96 HydrophobicContact CD1-CG 4.35Å; L79-L96 HydrophobicContact CD2-CD2 4.35Å; L85-L96 HydrophobicContact CD1-CD2 4.48Å; L85-L96 HydrophobicContact CD2-CD2 3.74Å; Y92-L96 WeakPolarHBondContact O-CB 3.04Å; Y92-L96 PolarHBondContact O-N 3.22Å; Y92-L96 VanDerWaalsContact O-N 3.1Å; Y93-L96 PolarHBondContact O-N 3.26Å; L96-D99 PolarHBondContact O-N 3.45Å; L96-I100 HydrophobicContact CD1-CD1 4.18Å; L96-I100 HydrophobicContact CD1-CG1 4.4Å; L96-I100 HydrophobicContact CG-CD1 3.99Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.34Å; L96-F121 HydrophobicContact CB-CE2 4.43Å; L96-F121 HydrophobicContact CB-CZ 4.13Å; L96-F121 HydrophobicContact CD2-CD1 4.23Å; L96-F121 HydrophobicContact CD2-CE1 3.7Å; L96-F121 HydrophobicContact CD2-CE2 4.08Å; L96-F121 HydrophobicContact CD2-CZ 3.63Å; L96-F121 HydrophobicContact CG-CE1 4.04Å; L96-F121 HydrophobicContact CG-CE2 4.35Å; L96-F121 HydrophobicContact CG-CZ 3.68Å
97Q97Very high95.4Very high63 Ų6361.8 Ų61.829%0.29431%0.313SS..Hα-helixtrans-63.1-42176.1-168.8-177.7-23.600112Y93 Q94 E95 S101 I119Y93-Q97 HydrophobicContact CD1-CB 4.49Å; Y93-Q97 VanDerWaalsContact O-CB 3.28Å; Y93-Q97 WeakPolarHBondContact O-CB 3.3Å; Y93-Q97 PolarHBondContact O-N 3.4Å; Q94-Q97 PolarHBondContact O-N 2.98Å; E95-Q97 VanDerWaalsContact C-N 3.28Å; E95-Q97 PolarHBondContact O-N 2.9Å; Q97-S101 WeakPolarHBondContact O-CB 3.47Å; Q97-S101 PolarHBondContact O-N 3.41Å; Q97-S101 PolarHBondContact O-OG 3.16Å; Q97-I119 HydrophobicContact CG-CB 3.83Å; Q97-I119 HydrophobicContact CG-CD1 3.58Å; Q97-I119 HydrophobicContact CG-CG1 4.27Å; Q97-I119 HydrophobicContact CG-CG2 4Å
98R96.6Very high95.1Very high118 Ų11863.7 Ų63.745%0.44532%0.316SS..Hα-helixtrans-62.7-49.4174.3-178.6-170.265-159.5-7.6110.7Q94 E95 I100 S101 E102Q94-R98 WeakPolarHBondContact O-CB 3.39Å; Q94-R98 PolarHBondContact O-N 2.95Å; E95-R98 WeakPolarHBondContact O-CB 3.44Å; E95-R98 PolarHBondContact O-N 3.31Å; E95-R98 VanDerWaalsContact O-N 3.16Å; R98-I100 VanDerWaalsContact C-N 3.34Å; R98-I100 PolarHBondContact O-N 2.91Å; R98-S101 WeakPolarHBondContact O-CA 3.47Å; R98-S101 WeakPolarHBondContact O-CB 3.49Å; R98-S101 PolarHBondContact O-N 3.24Å; R98-E102 PolarHBondContact O-N 3.36Å
99D95.8Very high94.4Very high11 Ų1167.6 Ų67.66%0.05933%0.326CS..Hα-helixtrans-63.2-40.3-175.5-68.23.3000111.4L13 E95 L96 E102 M103L13-D99 HydrophobicContact CD2-CB 4.32Å; E95-D99 VanDerWaalsContact O-CG 3.26Å; E95-D99 PolarHBondContact O-N 3.06Å; L96-D99 PolarHBondContact O-N 3.45Å; D99-E102 PolarHBondContact O-N 3.24Å; D99-M103 WeakPolarHBondContact O-CB 3.31Å; D99-M103 PolarHBondContact O-N 3.39Å
100I94.8Very high93Very high7 Ų772.4 Ų72.44%0.03634%0.339CS..Hα-helixtrans-64.4-41.3171.9-69.2168.9000111F74 I76 L96 R98 E102 M103 F104 L116 F121F74-I100 HydrophobicContact CZ-CG2 4.47Å; I76-I100 HydrophobicContact CD1-CD1 3.77Å; L96-I100 HydrophobicContact CD1-CD1 4.18Å; L96-I100 HydrophobicContact CD1-CG1 4.4Å; L96-I100 HydrophobicContact CG-CD1 3.99Å; L96-I100 WeakPolarHBondContact O-CB 3.49Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.34Å; R98-I100 VanDerWaalsContact C-N 3.34Å; R98-I100 PolarHBondContact O-N 2.91Å; I100-E102 PolarHBondContact O-N 3.47Å; I100-M103 WeakPolarHBondContact O-CB 3.48Å; I100-M103 PolarHBondContact O-N 3.14Å; I100-F104 HydrophobicContact CG2-CD2 3.91Å; I100-F104 HydrophobicContact CG2-CE2 3.98Å; I100-F104 WeakPolarHBondContact O-CD2 3.24Å; I100-F104 PolarHBondContact O-N 2.94Å; I100-L116 HydrophobicContact CG2-CD1 4.25Å; I100-F121 HydrophobicContact CD1-CE1 3.57Å; I100-F121 HydrophobicContact CD1-CZ 3.89Å
101S94.4Very high91.9Very high31 Ų3174.8 Ų74.822%0.21737%0.37CS..Hα-helixtrans-60.7-47.3177.8-59.50000111.4Q97 R98 M103 F104 L105 I119Q97-S101 WeakPolarHBondContact O-CB 3.47Å; Q97-S101 PolarHBondContact O-N 3.41Å; Q97-S101 PolarHBondContact O-OG 3.16Å; R98-S101 WeakPolarHBondContact O-CA 3.47Å; R98-S101 WeakPolarHBondContact O-CB 3.49Å; R98-S101 PolarHBondContact O-N 3.24Å; S101-M103 VanDerWaalsContact C-N 3.33Å; S101-M103 PolarHBondContact O-N 2.8Å; S101-F104 PolarHBondContact O-N 3.24Å; S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 PolarHBondContact O-N 3.45Å; S101-I119 WeakPolarHBondContact OG-CD1 3.47Å
102E93.5Very high91.4Very high83 Ų8372.2 Ų72.239%0.38837%0.373SS..Hα-helixtrans-60.9-41.8176.3-70.1-175.9-178.400112F10 R98 D99 I100 F104 L105 Q106F10-E102 HydrophobicContact CE2-CB 4.05Å; F10-E102 WeakPolarHBondContact CE2-OE2 3.42Å; R98-E102 PolarHBondContact O-N 3.36Å; D99-E102 PolarHBondContact O-N 3.24Å; I100-E102 PolarHBondContact O-N 3.47Å; E102-F104 VanDerWaalsContact C-N 3.35Å; E102-F104 PolarHBondContact O-N 3.25Å; E102-L105 PolarHBondContact O-N 3.1Å; E102-Q106 PolarHBondContact O-N 3.17Å
103M93.1Very high91.1Very high22 Ų2271.5 Ų71.511%0.10837%0.372CS..Hα-helixtrans-57.8-45.6174.6-177.1-172.574.100111.8L13 V17 D99 I100 S101 Q106 I107L13-M103 HydrophobicContact CD1-SD 3.71Å; L13-M103 HydrophobicContact CD2-CB 4Å; L13-M103 HydrophobicContact CD2-CG 4.37Å; L13-M103 HydrophobicContact CD2-SD 3.85Å; L13-M103 HydrophobicContact CG-CG 4.46Å; L13-M103 HydrophobicContact CG-SD 3.66Å; V17-M103 HydrophobicContact CG2-CG 3.93Å; V17-M103 HydrophobicContact CG2-SD 3.47Å; V17-M103 WeakPolarHBondContact CG2-SD 3.29Å; D99-M103 WeakPolarHBondContact O-CB 3.31Å; D99-M103 PolarHBondContact O-N 3.39Å; I100-M103 WeakPolarHBondContact O-CB 3.48Å; I100-M103 PolarHBondContact O-N 3.14Å; S101-M103 VanDerWaalsContact C-N 3.33Å; S101-M103 PolarHBondContact O-N 2.8Å; M103-Q106 WeakPolarHBondContact O-CB 3.26Å; M103-Q106 PolarHBondContact O-N 3.23Å; M103-Q106 VanDerWaalsContact O-N 3.16Å; M103-I107 HydrophobicContact CE-CD1 4.47Å; M103-I107 HydrophobicContact CG-CD1 4.1Å; M103-I107 WeakPolarHBondContact O-CG1 3.44Å; M103-I107 PolarHBondContact O-N 2.87Å
104F92.6Very high90.8Very high16 Ų1677.9 Ų77.97%0.0741%0.406CS..Hα-helixtrans-67.7-39.2178.6-90.7-104000112.8L72 F74 I100 S101 E102 Q106 I107 Y108 F113 L116L72-F104 HydrophobicContact CD2-CE1 3.48Å; L72-F104 VanDerWaalsContact CD2-CE1 3.48Å; L72-F104 HydrophobicContact CD2-CZ 3.48Å; L72-F104 VanDerWaalsContact CD2-CZ 3.48Å; F74-F104 HydrophobicContact CE1-CE2 4.09Å; F74-F104 HydrophobicContact CE1-CZ 4.04Å; F74-F104 HydrophobicContact CZ-CE2 4.18Å; I100-F104 HydrophobicContact CG2-CD2 3.91Å; I100-F104 HydrophobicContact CG2-CE2 3.98Å; I100-F104 WeakPolarHBondContact O-CD2 3.24Å; I100-F104 PolarHBondContact O-N 2.94Å; S101-F104 PolarHBondContact O-N 3.24Å; E102-F104 VanDerWaalsContact C-N 3.35Å; E102-F104 PolarHBondContact O-N 3.25Å; F104-Q106 PolarHBondContact O-N 3.4Å; F104-I107 PolarHBondContact O-N 2.94Å; F104-I107 VanDerWaalsContact O-N 3.14Å; F104-Y108 AromaticContact CD1-CD2 3.98Å; F104-Y108 HydrophobicContact CD1-CD2 3.98Å; F104-Y108 AromaticContact CD1-CE2 3.53Å; F104-Y108 HydrophobicContact CD1-CE2 3.53Å; F104-Y108 AromaticContact CE1-CE2 3.91Å; F104-Y108 HydrophobicContact CE1-CE2 3.91Å; F104-Y108 WeakPolarHBondContact O-CD2 3.38Å; F104-Y108 PolarHBondContact O-N 2.85Å; F104-F113 HydrophobicContact CB-CE1 4.48Å; F104-F113 HydrophobicContact CB-CZ 4.2Å; F104-L116 HydrophobicContact CB-CD1 3.75Å; F104-L116 HydrophobicContact CB-CD2 4.24Å; F104-L116 HydrophobicContact CB-CG 4.06Å; F104-L116 HydrophobicContact CD1-CD1 4.26Å; F104-L116 HydrophobicContact CD1-CD2 3.78Å; F104-L116 HydrophobicContact CD1-CG 4.46Å; F104-L116 HydrophobicContact CD2-CD1 3.84Å; F104-L116 HydrophobicContact CE1-CD2 4.37Å; F104-L116 HydrophobicContact CG-CD1 3.69Å; F104-L116 HydrophobicContact CG-CD2 4.03Å; F104-L116 HydrophobicContact CG-CG 4.22Å
105L89.8Confident90.4Very high99 Ų9974.8 Ų74.852%0.51840%0.402SS..Hα-helixtrans-56.8-37.7171.5-91.178.6000111.2S101 E102 F113S101-L105 WeakPolarHBondContact O-CD1 3.44Å; S101-L105 PolarHBondContact O-N 3.45Å; E102-L105 PolarHBondContact O-N 3.1Å; L105-F113 HydrophobicContact CD1-CE1 3.99Å; L105-F113 HydrophobicContact CG-CE1 4.33Å
106Q88.9Confident90.3Very high79 Ų7973.7 Ų73.737%0.36940%0.398SS..Hα-helixtrans-71.8-32.9177.6-179.4163.321.500113.5E102 M103 F104 K109E102-Q106 PolarHBondContact O-N 3.17Å; M103-Q106 WeakPolarHBondContact O-CB 3.26Å; M103-Q106 PolarHBondContact O-N 3.23Å; M103-Q106 VanDerWaalsContact O-N 3.16Å; F104-Q106 PolarHBondContact O-N 3.4Å; Q106-K109 WeakPolarHBondContact O-CD 3.37Å; Q106-K109 WeakPolarHBondContact O-CE 3.44Å; Q106-K109 VanDerWaalsContact O-CG 3.29Å; Q106-K109 WeakPolarHBondContact O-CG 3.49Å
107I89.6Confident90.1Very high89 Ų8976.5 Ų76.546%0.45642%0.42SS..Hα-helixtrans-71.5-46176.4-68.4164.5000110.4M103 F104 K109M103-I107 HydrophobicContact CE-CD1 4.47Å; M103-I107 HydrophobicContact CG-CD1 4.1Å; M103-I107 WeakPolarHBondContact O-CG1 3.44Å; M103-I107 PolarHBondContact O-N 2.87Å; F104-I107 PolarHBondContact O-N 2.94Å; F104-I107 VanDerWaalsContact O-N 3.14Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 2.74Å
108Y90.1Very high90Very high113 Ų11380.9 Ų80.944%0.44345%0.445SS..THydrogen-bonded Turntrans-95.840.9-174.5-64.7-82000113.7F104 Q110 F113F104-Y108 AromaticContact CD1-CD2 3.98Å; F104-Y108 HydrophobicContact CD1-CD2 3.98Å; F104-Y108 AromaticContact CD1-CE2 3.53Å; F104-Y108 HydrophobicContact CD1-CE2 3.53Å; F104-Y108 AromaticContact CE1-CE2 3.91Å; F104-Y108 HydrophobicContact CE1-CE2 3.91Å; F104-Y108 WeakPolarHBondContact O-CD2 3.38Å; F104-Y108 PolarHBondContact O-N 2.85Å; Y108-Q110 PolarHBondContact O-N 3.1Å; Y108-Q110 VanDerWaalsContact O-N 3.12Å; Y108-F113 VanDerWaalsContact CB-CB 3.49Å; Y108-F113 HydrophobicContact CD2-CD2 4.23Å; Y108-F113 HydrophobicContact CD2-CE2 4.31Å; Y108-F113 HydrophobicContact CD2-CG 4.42Å; Y108-F113 HydrophobicContact CG-CB 4.25Å; Y108-F113 HydrophobicContact CG-CD2 4.13Å; Y108-F113 HydrophobicContact CG-CG 4.08Å
109K83.8Confident90Very high152 Ų15276.7 Ų76.766%0.66143%0.431SS*.  trans-58.5-24.2178.3-77.9175.4-178.1-176.70114.7Q106 I107 G111Q106-K109 WeakPolarHBondContact O-CD 3.37Å; Q106-K109 WeakPolarHBondContact O-CE 3.44Å; Q106-K109 VanDerWaalsContact O-CG 3.29Å; Q106-K109 WeakPolarHBondContact O-CG 3.49Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 2.74Å; K109-G111 PolarHBondContact O-N 3.14Å
110Q68.6Low90.1Very high181 Ų18184.4 Ų84.485%0.84646%0.464SS*.SBendtrans-77.7112.3178.3-60.6-171.489.500107.3Y108Y108-Q110 PolarHBondContact O-N 3.1Å; Y108-Q110 VanDerWaalsContact O-N 3.12Å
111G75.1Confident90.2Very high82 Ų8285.5 Ų85.585%0.84547%0.469SS*.SBendtrans-46.5152.1-166.400000115.8K109K109-G111 PolarHBondContact O-N 3.14Å
112G86.8Confident90.3Very high71 Ų7188.3 Ų88.373%0.73249%0.488SS*.  trans119-19.8-176.500000113.1
113F91.5Very high90.3Very high62 Ų6294 Ų9427%0.27252%0.515SS..  trans-76.2123.5167.5-179-110.5000110.5F104 L105 Y108 G115 L116F104-F113 HydrophobicContact CB-CE1 4.48Å; F104-F113 HydrophobicContact CB-CZ 4.2Å; L105-F113 HydrophobicContact CD1-CE1 3.99Å; L105-F113 HydrophobicContact CG-CE1 4.33Å; Y108-F113 VanDerWaalsContact CB-CB 3.49Å; Y108-F113 HydrophobicContact CD2-CD2 4.23Å; Y108-F113 HydrophobicContact CD2-CE2 4.31Å; Y108-F113 HydrophobicContact CD2-CG 4.42Å; Y108-F113 HydrophobicContact CG-CB 4.25Å; Y108-F113 HydrophobicContact CG-CD2 4.13Å; Y108-F113 HydrophobicContact CG-CG 4.08Å; F113-G115 VanDerWaalsContact CE2-O 3.25Å; F113-G115 WeakPolarHBondContact CE2-O 3.47Å; F113-G115 WeakPolarHBondContact CZ-O 3.26Å; F113-L116 HydrophobicContact CE2-CD2 4Å; F113-L116 HydrophobicContact CZ-CD2 3.69Å; F113-L116 HydrophobicContact CZ-CG 3.92Å
114L91.3Very high90.2Very high146 Ų14697.7 Ų97.776%0.76454%0.535SS*.  trans-99.9-17.7-176.1-57.2-177.5000113V67V67-L114 HydrophobicContact CB-CD1 4.44Å; V67-L114 HydrophobicContact CG1-CD1 3.67Å
115G91.4Very high90Very high38 Ų38101.9 Ų101.939%0.39256%0.56SS.*  trans140.9-178.6179.200000113.5F113F113-G115 VanDerWaalsContact CE2-O 3.25Å; F113-G115 WeakPolarHBondContact CE2-O 3.47Å; F113-G115 WeakPolarHBondContact CZ-O 3.26Å
116L94Very high90Very high63 Ų63102.1 Ų102.133%0.3356%0.562SS.*  trans-105.6153.2170.2-60.2-177.3000110I100 F104 F113 I119I100-L116 HydrophobicContact CG2-CD1 4.25Å; F104-L116 HydrophobicContact CB-CD1 3.75Å; F104-L116 HydrophobicContact CB-CD2 4.24Å; F104-L116 HydrophobicContact CB-CG 4.06Å; F104-L116 HydrophobicContact CD1-CD1 4.26Å; F104-L116 HydrophobicContact CD1-CD2 3.78Å; F104-L116 HydrophobicContact CD1-CG 4.46Å; F104-L116 HydrophobicContact CD2-CD1 3.84Å; F104-L116 HydrophobicContact CE1-CD2 4.37Å; F104-L116 HydrophobicContact CG-CD1 3.69Å; F104-L116 HydrophobicContact CG-CD2 4.03Å; F104-L116 HydrophobicContact CG-CG 4.22Å; F113-L116 HydrophobicContact CE2-CD2 4Å; F113-L116 HydrophobicContact CZ-CD2 3.69Å; F113-L116 HydrophobicContact CZ-CG 3.92Å; L116-I119 HydrophobicContact CB-CD1 4.04Å; L116-I119 HydrophobicContact CB-CG1 4.35Å; L116-I119 HydrophobicContact CD1-CD1 3.88Å; L116-I119 HydrophobicContact CD1-CG1 4.5Å
117S93.8Very high90.1Very high81 Ų81103.5 Ų103.557%0.56657%0.573SS**  trans-146162171.262.70000109.7I119S117-I119 VanDerWaalsContact C-N 3.28Å; S117-I119 PolarHBondContact O-N 3.29Å
118N95.4Very high90.1Very high154 Ų154104.4 Ų104.482%0.82458%0.581SS**  trans55.938.6174.1-52.9-59.3000114K120N118-K120 PolarHBondContact O-N 3.07Å
119I96.6Very high90.1Very high30 Ų30103.8 Ų103.815%0.15459%0.59CS.*  trans-66.1125.7175.2-61.1169000108.4Y93 Q97 S101 L116 S117 F121Y93-I119 PolarHBondContact OH-O 3.14Å; Q97-I119 HydrophobicContact CG-CB 3.83Å; Q97-I119 HydrophobicContact CG-CD1 3.58Å; Q97-I119 HydrophobicContact CG-CG1 4.27Å; Q97-I119 HydrophobicContact CG-CG2 4Å; S101-I119 WeakPolarHBondContact OG-CD1 3.47Å; L116-I119 HydrophobicContact CB-CD1 4.04Å; L116-I119 HydrophobicContact CB-CG1 4.35Å; L116-I119 HydrophobicContact CD1-CD1 3.88Å; L116-I119 HydrophobicContact CD1-CG1 4.5Å; S117-I119 VanDerWaalsContact C-N 3.28Å; S117-I119 PolarHBondContact O-N 3.29Å; I119-F121 HydrophobicContact CG2-CE1 4.17Å; I119-F121 HydrophobicContact CG2-CE2 4.46Å; I119-F121 HydrophobicContact CG2-CZ 3.92Å
120K97.4Very high90.6Very high174 Ų174100.4 Ų100.476%0.75759%0.585SS**  trans-131136.8178.5-177.7177.5177.2-177.20109.8Y93 N118Y93-K120 WeakPolarHBondContact OH-CA 3.48Å; N118-K120 PolarHBondContact O-N 3.07Å
121F97.6Very high92.3Very high30 Ų3094.2 Ų94.213%0.13257%0.565CS.*  trans-99.4145.7170.6-53.7-65.7000110.3F81 L85 Y93 L96 I100 I119F81-F121 HydrophobicContact CE2-CB 3.87Å; L85-F121 HydrophobicContact CB-CB 4.18Å; L85-F121 HydrophobicContact CD2-CD2 4.08Å; L85-F121 HydrophobicContact CD2-CE2 4.43Å; Y93-F121 HydrophobicContact CD1-CD2 4.35Å; Y93-F121 HydrophobicContact CD1-CE2 4.02Å; Y93-F121 AromaticContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CD2 3.71Å; Y93-F121 HydrophobicContact CD2-CE2 4.16Å; Y93-F121 HydrophobicContact CE1-CD2 4.11Å; Y93-F121 AromaticContact CE1-CE2 3.91Å; Y93-F121 HydrophobicContact CE1-CE2 3.91Å; Y93-F121 AromaticContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CD2 3.44Å; Y93-F121 VanDerWaalsContact CE2-CD2 3.44Å; Y93-F121 HydrophobicContact CE2-CE2 4.07Å; Y93-F121 HydrophobicContact CE2-CG 4.45Å; Y93-F121 HydrophobicContact CG-CD2 4.13Å; Y93-F121 HydrophobicContact CG-CE2 4.11Å; Y93-F121 AromaticContact CZ-CD2 3.64Å; Y93-F121 AromaticContact CZ-CE2 3.91Å; L96-F121 HydrophobicContact CB-CE2 4.43Å; L96-F121 HydrophobicContact CB-CZ 4.13Å; L96-F121 HydrophobicContact CD2-CD1 4.23Å; L96-F121 HydrophobicContact CD2-CE1 3.7Å; L96-F121 HydrophobicContact CD2-CE2 4.08Å; L96-F121 HydrophobicContact CD2-CZ 3.63Å; L96-F121 HydrophobicContact CG-CE1 4.04Å; L96-F121 HydrophobicContact CG-CE2 4.35Å; L96-F121 HydrophobicContact CG-CZ 3.68Å; I100-F121 HydrophobicContact CD1-CE1 3.57Å; I100-F121 HydrophobicContact CD1-CZ 3.89Å; I119-F121 HydrophobicContact CG2-CE1 4.17Å; I119-F121 HydrophobicContact CG2-CE2 4.46Å; I119-F121 HydrophobicContact CG2-CZ 3.92Å
122S96.3Very high93.7Very high89 Ų8995.2 Ų95.262%0.62254%0.541SS*.  trans-149.515517558.40000109.7
123E92.7Very high94.3Very high204 Ų20497.4 Ų97.495%0.95352%0.524SS*.  trans-68.60168.3-161-174.1164.500111.8F81F81-E123 HydrophobicContact CD1-CB 4.03Å; F81-E123 HydrophobicContact CD1-CG 4.49Å; F81-E123 HydrophobicContact CE1-CB 4.43Å; F81-E123 HydrophobicContact CG-CB 4.26Å

Retrieved 123 of 123 residues in 224.5 ms (Link to these results)