X6R242_HUMAN Loading...

Polypyrimidine tract binding protein 3

AlphaFold DB , UniProt , Accession X6R242, Species HUMAN (Homo sapiens, Human), Gene PTBP3, Length 182 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
1M48.7Very low51.9Low242 Ų242141.4 Ų141.4100%1.19284%0.839SS**  064.80-47.7175.7-170.200105
2D44.5Very low51.4Low157 Ų157147 Ų14784%0.8485%0.845SS**  50108.383.8-179.7-129.6000112.6
3A51.1Low51Low83 Ų83151.8 Ų151.869%0.68685%0.85SS**  160106.9123.700000110.7
4S57.7Low51.1Low113 Ų113151 Ų15179%0.7984%0.842SS**  trans-66.5143.7156.4-75.10000110.4
5P62.9Low50.3Low132 Ų132150.2 Ų150.286%0.85784%0.835SS**  trans-94.2114.3160.430.9-26.6000111.2
6S63.1Low50.1Low101 Ų101151.4 Ų151.471%0.70683%0.832SS**  trans-76.4148.3165.2-51.30000111.1
7P55.6Low49.7Very low131 Ų131151.3 Ų151.385%0.85183%0.829SS**  trans-86.1110.7173.931.9-31.1000111.6
8F43.4Very low49.2Very low196 Ų196148.5 Ų148.586%0.8682%0.823SS**  trans-121.8115.1168.8-116.3-90.6000109.3
9S42.5Very low49.2Very low115 Ų115145.4 Ų145.480%0.80482%0.818SS**  trans-163.9106.7159.3-90.40000111.6
10L52.1Low49.4Very low167 Ų167150.1 Ų150.187%0.87482%0.823SS**  -174.4138.4106.1-95.1152000110.5
11P49.7Very low49.4Very low118 Ų118155 Ų15577%0.76683%0.829SS**  trans-92.9169.4-174.536.1-33.8000115.2
12K46Very low49.2Very low209 Ų209147 Ų14791%0.90981%0.809SS**  trans-61.3138.8-173.6-52175.7-179178.90113.6
13K46.1Very low49.5Very low210 Ų210144 Ų14491%0.91380%0.8SS**  trans-108.892.1165.3-158.6158.2-175.1173.50107.8
14L52.1Low49.2Very low140 Ų140146.7 Ų146.773%0.73380%0.803SS**  68.899.4100.8-157.2122.6000112.8
15N39.6Very low48.8Very low139 Ų139149 Ų14974%0.74380%0.801SS**  trans-76.4120.8168.4-179.234000108.4
16E46.3Very low48.2Very low170 Ų170148.7 Ų148.779%0.79479%0.791SS**  trans-113.6107.4170.3-164.3170.7108.600109.1
17L43.2Very low47.3Very low149 Ų149151 Ų15178%0.7880%0.795SS**  trans-76.4120.9169.8-85.4148000109
18S41.6Very low46.6Very low101 Ų101149.2 Ų149.271%0.70679%0.786SS**  trans-127.899.1156.6174.90000108.1
19A47.9Very low46.5Very low90 Ų90145.4 Ų145.474%0.74478%0.783SS**  trans-86.7114.6166.800000108
20R53.1Low46.6Very low239 Ų239143.8 Ų143.890%0.90279%0.785SS**  trans-140.4114.1158.8-65.5-160.9173.8-132.6-6.3111.7
21R49.4Very low46.2Very low253 Ų253143.5 Ų143.596%0.95578%0.783SS**  trans-65134.8167.2-163.4178-155.1-106.84108.5
22G44.6Very low46.1Very low75 Ų75145.7 Ų145.777%0.77379%0.786SS**  trans-170.997.4175.700000110.7
23S51.6Low45.7Very low93 Ų93142.8 Ų142.865%0.6578%0.781SS**  trans-71.9-178.5163.738.10000110.5
24D44.1Very low45.5Very low139 Ų139136.2 Ų136.274%0.74377%0.772SS**  trans68.8135.7161.147.6-86.9000116.7
25E50.5Low45.4Very low161 Ų161134.6 Ų134.675%0.75277%0.77SS**  cis-178.7156.85-106.8-92.999.200104.6
26L50.8Low45.5Very low126 Ų126137 Ų13766%0.6678%0.775SS**  trans88.8119.2147.4-65.4165.7000123.9
27L43.4Very low45.3Very low149 Ų149135.6 Ų135.678%0.7878%0.777SS**  trans73.5137.8135.6-54.6164.8000117
28S40.4Very low45.2Very low94 Ų94137.8 Ų137.866%0.65779%0.786SS**  cis-170.3143.422.6-132.60000111.5
29S41.8Very low45.1Very low116 Ų116140.3 Ų140.381%0.81179%0.792SS**  trans73.3111.7133.2-54.50000121.3
30G45Very low44.6Very low81 Ų81139.9 Ų139.984%0.83578%0.783SS**  trans-166.584.7157.500000111
31I43.9Very low44.1Very low161 Ų161133 Ų13383%0.82677%0.772SS**  trans-75.8127178.1-61.8168.9000109.7
32I46.9Very low44.4Very low164 Ų164126.6 Ų126.684%0.84176%0.761SS**  trans-163.1150.7138.5-164.9151.4000112.1
33N37.2Very low44.5Very low149 Ų149129.1 Ų129.180%0.79776%0.764SS**  trans-82.8149.8-152.3-51.9-18.9000115.8
34G42.6Very low43.9Very low71 Ų71129.4 Ų129.473%0.73277%0.766SS**  trans171.5120.8158.300000112.1
35P49.9Very low44Very low107 Ų107129.7 Ų129.770%0.69577%0.773SS**  trans-83.3145.9177.534.3-29.8000109.5
36F41.1Very low43.6Very low190 Ų190126.5 Ų126.583%0.83377%0.774SS**  trans164.2129.6135.2-80-57.2000110.3
37T41.6Very low43.4Very low139 Ų139127.9 Ų127.985%0.85378%0.782SS**  trans77118.4153.661.20000120.4
38M42.8Very low43.7Very low195 Ų195124.1 Ų124.196%0.96178%0.779SS**  trans-55.2137.2162.6-73.2170.4172.100111.9
39N39.5Very low44.2Very low154 Ų154125.4 Ų125.482%0.82478%0.779SS**  -156.6142.9129.5-171.233.5000110.9
40S36.3Very low44.8Very low82 Ų82127.6 Ų127.657%0.57378%0.781SS**  trans-66.5158.8-175.274.20000114.5
41S42.9Very low45Very low95 Ų95127.1 Ų127.166%0.66477%0.766SS**  trans86.9120142.6-51.30000118.5
42T56Low45.1Very low117 Ų117127.5 Ų127.572%0.71876%0.761SS**  trans79.2116148.6610000119.5
43P47Very low45Very low129 Ų129129.3 Ų129.384%0.83876%0.763SS**  trans-82.2113.3147.331.7-23.6000108.4
44S37.2Very low45.4Very low99 Ų99130.1 Ų130.169%0.69276%0.76SS**  trans-127.978.8165.243.10000109.4A46S44-A46 PolarHBondContact O-N 3.2Å; S44-A46 VanDerWaalsContact O-N 3.14Å
45T46Very low45.9Very low145 Ų145134.1 Ų134.189%0.8976%0.757SS**  trans-58.7102.914411.10000107.8
46A43.7Very low45.7Very low93 Ų93139.6 Ų139.677%0.76976%0.764SS**  trans154.8103.4148.200000109.1S44S44-A46 PolarHBondContact O-N 3.2Å; S44-A46 VanDerWaalsContact O-N 3.14Å
47N45.5Very low45.9Very low155 Ų155137.7 Ų137.783%0.82976%0.762SS**  trans-145.299142.4-166.331.7000108.2N49N47-N49 PolarHBondContact O-N 3.5Å
48G50.7Low46.5Very low71 Ų71141.4 Ų141.473%0.73276%0.76SS**  trans-59.8124162.400000108.6
49N51.4Low46.8Very low121 Ų121137 Ų13765%0.64775%0.747SS**  trans-124.694.3136.598.470.7000106.5N47 S51N47-N49 PolarHBondContact O-N 3.5Å; N49-S51 PolarHBondContact O-N 2.91Å; N49-S51 PolarHBondContact OD1-N 3.02Å; N49-S51 PolarHBondContact OD1-OG 3.15Å; N49-S51 VanDerWaalsContact OD1-OG 3.08Å
50D53.9Low47.6Very low161 Ų161134.1 Ų134.186%0.86174%0.736SS**  trans-69.392.2146-177.2-101.9000105.4
51S47.9Very low48.5Very low72 Ų72134.7 Ų134.750%0.50374%0.739SS.*  trans-133.1107.5144.760.30000105.3N49 K53N49-S51 PolarHBondContact O-N 2.91Å; N49-S51 PolarHBondContact OD1-N 3.02Å; N49-S51 PolarHBondContact OD1-OG 3.15Å; N49-S51 VanDerWaalsContact OD1-OG 3.08Å; S51-K53 PolarHBondContact O-N 3.31Å
52K46.3Very low49.7Very low168 Ų168135 Ų13573%0.7374%0.742SS**  trans-29.2109.3146.7-82.3171.3173.2163.70106.3F54K52-F54 PolarHBondContact O-N 3.44Å
53K44.7Very low50.7Low202 Ų202132.1 Ų132.188%0.87873%0.725SS**  trans-65.179.9162-77.2-168.7177.3-1770105.3S51 K55S51-K53 PolarHBondContact O-N 3.31Å; K53-K55 VanDerWaalsContact C-N 3.3Å; K53-K55 PolarHBondContact O-N 3.42Å
54F47.2Very low52.5Low167 Ų167126.1 Ų126.173%0.73269%0.686SS**  trans-62.999178.7-154.4-93.7000103.9K52 R56K52-F54 PolarHBondContact O-N 3.44Å; F54-R56 PolarHBondContact O-N 2.98Å
55K51.7Low55Low154 Ų154126.5 Ų126.567%0.6767%0.672SS**SBendtrans40.683.3164.5-62.3-178.8172.1-1730113.1K53 D57K53-K55 VanDerWaalsContact C-N 3.3Å; K53-K55 PolarHBondContact O-N 3.42Å; K55-D57 PolarHBondContact O-N 3.43Å; K55-D57 VanDerWaalsContact O-N 3.11Å
56R46.5Very low57.1Low223 Ų223119.6 Ų119.684%0.84263%0.63SS**  trans12.795.4139.3-178.3-175.8-173.3121.50.1112F54 R58F54-R56 PolarHBondContact O-N 2.98Å; R56-R58 PolarHBondContact O-N 2.95Å
57D43.9Very low59.3Low150 Ų150115.2 Ų115.280%0.80259%0.593SS**  10.269.1128.4-153.1-89.8000113K55K55-D57 PolarHBondContact O-N 3.43Å; K55-D57 VanDerWaalsContact O-N 3.11Å
58R55.6Low61.5Low216 Ų216108.9 Ų108.982%0.81556%0.559SS**PPolyproline II helixtrans-87.7120.3150.4-77.1-167.4-166.4-162.73.7101.8R56 P60R56-R58 PolarHBondContact O-N 2.95Å; R58-P60 WeakPolarHBondContact O-CD 3.39Å
59P48.3Very low63.4Low103 Ų103105.5 Ų105.567%0.66952%0.524SS*.PPolyproline II helixtrans-50.7124.1167.823.1-31.1000105.3C61P59-C61 PolarHBondContact O-N 3.31Å
60P55.8Low65.2Low94 Ų94105.1 Ų105.161%0.6151%0.513SS*.PPolyproline II helixtrans-55.9119.5174.322.5-29.1000104.4R58 S62 Y136R58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-S62 PolarHBondContact O-N 3.15Å; P60-Y136 HydrophobicContact CB-CE2 4.42Å
61C56.7Low66.7Low94 Ų94104 Ų10464%0.63550%0.501SS*.SBendtrans-39.5123.4165.1-61.50000106P59 Y136P59-C61 PolarHBondContact O-N 3.31Å; C61-Y136 HydrophobicContact CB-CD2 4.31Å; C61-Y136 WeakPolarHBondContact O-CD2 3.39Å
62S68.2Low68.6Low102 Ų102100.8 Ų100.871%0.71348%0.478SS*.  trans-38.3128-162.5-51.90000111.3P60 S64P60-S62 PolarHBondContact O-N 3.15Å; S62-S64 PolarHBondContact O-N 3.31Å
63P76.9Confident70.4Confident55 Ų5593.2 Ų93.236%0.35745%0.446SS..  trans-51.6123.2-174.122.5-33.7000109.1E110 V114P63-E110 HydrophobicContact CB-CG 4.19Å; P63-V114 HydrophobicContact CB-CG2 3.63Å
64S84.1Confident72Confident4 Ų487.4 Ų87.43%0.02843%0.43CS..  trans-122.4140.3-179.1-177.20000108.9S62 V66 A113 Y136 H139S62-S64 PolarHBondContact O-N 3.31Å; S64-V66 PolarHBondContact O-N 3.43Å; S64-V66 PolarHBondContact OG-N 2.73Å; S64-A113 VanDerWaalsContact O-CB 3.26Å; S64-A113 WeakPolarHBondContact O-CB 3.41Å; S64-Y136 WeakPolarHBondContact O-CD1 3.02Å; S64-H139 PolarHBondContact OG-O 3.19Å
65R89.3Confident73.7Confident107 Ų10784.3 Ų84.340%0.40442%0.421SS..SBendtrans-65.3-21.7173.2-64.9-179.2-176.6-167.2-2.9112.2M107 E110R65-M107 PolarHBondContact O-N 3.36Å; R65-E110 HydrophobicContact CG-CB 3.69Å; R65-E110 HydrophobicContact CG-CG 4.04Å
66V90.4Very high75.3Confident0 Ų077.2 Ų77.20%039%0.39CS..EExtended strand (participates in β ladder)trans-98.1129.3178-174.50000110.1S64 F104 L105 E106 S137 H139 R140 L142S64-V66 PolarHBondContact O-N 3.43Å; S64-V66 PolarHBondContact OG-N 2.73Å; V66-F104 HydrophobicContact CG1-CB 4.29Å; V66-F104 HydrophobicContact CG1-CD1 4.3Å; V66-L105 CarbonylContact C-O 3.54Å; V66-L105 WeakPolarHBondContact CA-O 3.34Å; V66-E106 HydrophobicContact CG2-CB 4.12Å; V66-E106 HydrophobicContact CG2-CG 3.81Å; V66-S137 WeakPolarHBondContact O-CB 3.46Å; V66-S137 PolarHBondContact O-N 2.52Å; V66-H139 WeakPolarHBondContact CB-O 3.41Å; V66-R140 WeakPolarHBondContact CG2-O 3.42Å; V66-L142 HydrophobicContact CG1-CB 4.38Å; V66-L142 HydrophobicContact CG1-CD1 4.32Å; V66-L142 HydrophobicContact CG2-CB 4.28Å
67L91.3Very high77.3Confident0 Ų069.4 Ų69.40%037%0.368CS..EExtended strand (participates in β ladder)trans-107135.6177.8-57.7-178.2000109.9F104 L105 M107 A113 M116 V117 I134 Q135 Y136L67-F104 CarbonylContact O-C 3.52Å; L67-F104 VanDerWaalsContact O-CA 3.22Å; L67-F104 WeakPolarHBondContact O-CA 3.35Å; L67-L105 HydrophobicContact CB-CB 4.45Å; L67-L105 PolarHBondContact N-O 2.82Å; L67-L105 PolarHBondContact O-N 2.75Å; L67-M107 HydrophobicContact CD1-CG 4.31Å; L67-A113 HydrophobicContact CD1-CB 4.36Å; L67-A113 HydrophobicContact CD2-CB 3.95Å; L67-A113 HydrophobicContact CG-CB 4.17Å; L67-M116 HydrophobicContact CD1-CB 3.99Å; L67-M116 HydrophobicContact CD1-CE 4.4Å; L67-M116 HydrophobicContact CD1-CG 3.86Å; L67-M116 HydrophobicContact CD1-SD 3.32Å; L67-M116 WeakPolarHBondContact CD1-SD 3.22Å; L67-V117 HydrophobicContact CD1-CG2 4.39Å; L67-V117 HydrophobicContact CD2-CG2 3.29Å; L67-V117 HydrophobicContact CG-CG2 4.43Å; L67-I134 HydrophobicContact CB-CG2 4.2Å; L67-I134 HydrophobicContact CD1-CG2 4.22Å; L67-Q135 CarbonylContact C-O 3.39Å; L67-Q135 WeakPolarHBondContact CA-O 3.37Å; L67-Y136 HydrophobicContact CD2-CD1 3.93Å; L67-Y136 HydrophobicContact CD2-CE1 4.27Å
68H91.1Very high79.4Confident22 Ų2262.5 Ų62.510%0.10233%0.331CS..EExtended strand (participates in β ladder)trans-100.6118.4173.6175-154.1000109.6Q102 F104 I134 Q135H68-Q102 PolarHBondContact CE1-NE2 3.02Å; H68-Q102 VanDerWaalsContact CE1-NE2 3.31Å; H68-Q102 PolarHBondContact NE2-NE2 2.99Å; H68-F104 HydrophobicContact CB-CD1 3.95Å; H68-F104 HydrophobicContact CB-CE1 3.74Å; H68-F104 AromaticContact CD2-CE1 3.72Å; H68-F104 AromaticContact CD2-CZ 3.8Å; H68-F104 AromaticContact CG-CE1 3.73Å; H68-I134 WeakPolarHBondContact O-CA 3.31Å; H68-Q135 PolarHBondContact N-O 2.93Å; H68-Q135 PolarHBondContact O-N 3.45Å
69L90.8Very high81Confident0 Ų054.2 Ų54.20%031%0.308CS..EExtended strand (participates in β ladder)trans-100.4121.6175.3-58.787.3000110I72 I81 Q102 A103 L105 V132 Y133 I134L69-I72 HydrophobicContact CB-CD1 3.72Å; L69-I72 HydrophobicContact CB-CG1 3.77Å; L69-I72 HydrophobicContact CD2-CD1 4.05Å; L69-I81 HydrophobicContact CD2-CD1 4.21Å; L69-I81 HydrophobicContact CD2-CG2 4.28Å; L69-Q102 WeakPolarHBondContact O-CA 3.32Å; L69-A103 HydrophobicContact CB-CB 4.31Å; L69-A103 PolarHBondContact N-O 2.74Å; L69-A103 PolarHBondContact O-N 3.39Å; L69-L105 HydrophobicContact CD1-CB 3.67Å; L69-V132 HydrophobicContact CB-CG1 4.22Å; L69-V132 HydrophobicContact CD2-CG1 4.25Å; L69-Y133 CarbonylContact C-O 3.54Å; L69-Y133 VanDerWaalsContact CA-O 3.31Å; L69-Y133 WeakPolarHBondContact CA-O 3.26Å; L69-I134 HydrophobicContact CD2-CD1 4.5Å; L69-I134 HydrophobicContact CD2-CG1 4.23Å; L69-I134 HydrophobicContact CG-CG1 4.13Å
70R89.4Confident82.9Confident114 Ų11454.2 Ų54.243%0.4330%0.299SS..EExtended strand (participates in β ladder)trans-104.6153.4176.7-77.3178.6155.6152.4-4.8110.7I72 Y133R70-I72 VanDerWaalsContact C-N 3.33Å; R70-Y133 PolarHBondContact N-O 3.4Å; R70-Y133 PolarHBondContact O-N 3.38Å
71K85.4Confident84.5Confident136 Ų13649.8 Ų49.859%0.59127%0.27SS*.SBendtrans62.840.1-178.6-61.8-73.5-172.5172.90111.9P73 S101 Y133K71-P73 WeakPolarHBondContact O-CD 3.12Å; K71-S101 PolarHBondContact N-O 3.25Å; K71-Y133 HydrophobicContact CB-CD2 4.47Å; K71-Y133 HydrophobicContact CG-CD2 4.08Å; K71-Y133 HydrophobicContact CG-CE2 4.29Å
72I86.9Confident86.1Confident5 Ų545.3 Ų45.33%0.02624%0.24CC..  trans-77.1120.2174.1-64.5-60.2000109.3L69 R70 V76 I81 M96 S101 A103 L127 V132L69-I72 HydrophobicContact CB-CD1 3.72Å; L69-I72 HydrophobicContact CB-CG1 3.77Å; L69-I72 HydrophobicContact CD2-CD1 4.05Å; R70-I72 VanDerWaalsContact C-N 3.33Å; I72-V76 HydrophobicContact CG2-CB 4.22Å; I72-V76 HydrophobicContact CG2-CG1 4.26Å; I72-I81 HydrophobicContact CD1-CD1 3.87Å; I72-M96 HydrophobicContact CG2-CE 3.82Å; I72-S101 PolarHBondContact N-O 2.98Å; I72-S101 WeakPolarHBondContact O-CA 3.44Å; I72-S101 VanDerWaalsContact O-CB 3.24Å; I72-S101 WeakPolarHBondContact O-CB 3.48Å; I72-A103 HydrophobicContact CG1-CB 3.88Å; I72-L127 HydrophobicContact CD1-CD1 4.08Å; I72-V132 HydrophobicContact CD1-CB 4.33Å; I72-V132 HydrophobicContact CD1-CG1 3.42Å; I72-V132 VanDerWaalsContact CD1-CG1 3.42Å; I72-V132 HydrophobicContact CD1-CG2 3.9Å; I72-V132 HydrophobicContact CG1-CG1 4.49Å
73P83.2Confident87Confident9 Ų943.2 Ų43.26%0.05823%0.225CC..  trans-60147.3172.8-15.526000111.2K71 D75 V76 L127 Q130K71-P73 WeakPolarHBondContact O-CD 3.12Å; P73-D75 PolarHBondContact O-N 3.29Å; P73-V76 HydrophobicContact CB-CG2 4.08Å; P73-V76 HydrophobicContact CG-CG2 3.83Å; P73-V76 WeakPolarHBondContact O-CB 3.46Å; P73-V76 PolarHBondContact O-N 2.91Å; P73-L127 HydrophobicContact CG-CB 4.47Å; P73-Q130 HydrophobicContact CG-CB 4.01Å
74C78.3Confident87.6Confident81 Ų8142 Ų4255%0.54722%0.216SC..THydrogen-bonded Turntrans-67.2-24.3175.156.90000113.2V76C74-V76 VanDerWaalsContact C-N 3.26Å; C74-V76 PolarHBondContact O-N 3.42Å
75D84.6Confident87.8Confident101 Ų10141.8 Ų41.854%0.5422%0.215SC..THydrogen-bonded Turntrans-76-11.7177.6-58.6-45.5000113.5P73 R128P73-D75 PolarHBondContact O-N 3.29Å; D75-R128 IonicContact OD2-NE 3.95Å
76V85.6Confident87.8Confident5 Ų539.4 Ų39.43%0.0321%0.21CC..  trans-71.2137.1175.6162.50000109.5I72 P73 C74 E80 I81 M96 L127I72-V76 HydrophobicContact CG2-CB 4.22Å; I72-V76 HydrophobicContact CG2-CG1 4.26Å; P73-V76 HydrophobicContact CB-CG2 4.08Å; P73-V76 HydrophobicContact CG-CG2 3.83Å; P73-V76 WeakPolarHBondContact O-CB 3.46Å; P73-V76 PolarHBondContact O-N 2.91Å; C74-V76 VanDerWaalsContact C-N 3.26Å; C74-V76 PolarHBondContact O-N 3.42Å; V76-E80 HydrophobicContact CG1-CB 4.22Å; V76-I81 HydrophobicContact CG1-CD1 3.51Å; V76-I81 HydrophobicContact CG1-CG1 3.7Å; V76-M96 HydrophobicContact CB-CE 4.28Å; V76-M96 HydrophobicContact CG1-CE 3.77Å; V76-M96 WeakPolarHBondContact O-CE 3.13Å; V76-L127 HydrophobicContact CG1-CD1 3.99Å; V76-L127 HydrophobicContact CG2-CB 3.76Å; V76-L127 HydrophobicContact CG2-CD1 3.77Å; V76-L127 HydrophobicContact CG2-CG 4.31Å
77T87.9Confident87.7Confident59 Ų5944.1 Ų44.136%0.36224%0.24SC..  trans-97.2160.4175.668.10000110.6A79 E80 I81T77-A79 PolarHBondContact O-N 3.29Å; T77-E80 PolarHBondContact O-N 3.04Å; T77-E80 WeakPolarHBondContact OG1-CG 3.28Å; T77-I81 PolarHBondContact O-N 3.36Å
78E88.3Confident87.5Confident6 Ų646 Ų463%0.02825%0.248CC..Hα-helixtrans-59.2-37.2178.9-60.876.3-17600110.9E80 I81 I82 L94 M96 K98 R152 A153 A156E78-E80 VanDerWaalsContact C-N 3.35Å; E78-E80 PolarHBondContact O-N 3.13Å; E78-I81 PolarHBondContact O-N 3.08Å; E78-I82 WeakPolarHBondContact O-CD1 3.36Å; E78-I82 WeakPolarHBondContact O-CG1 3.19Å; E78-I82 PolarHBondContact O-N 2.95Å; E78-L94 HydrophobicContact CB-CD1 4.26Å; E78-L94 HydrophobicContact CB-CD2 4.33Å; E78-L94 HydrophobicContact CG-CD2 4.08Å; E78-L94 WeakPolarHBondContact O-CD1 3.49Å; E78-M96 HydrophobicContact CB-SD 4.44Å; E78-M96 HydrophobicContact CG-CG 4.24Å; E78-M96 HydrophobicContact CG-SD 3.66Å; E78-K98 IonicContact OE1-NZ 3.72Å; E78-R152 VanDerWaalsContact CD-CD 3.44Å; E78-R152 WeakPolarHBondContact OE1-CD 3.16Å; E78-R152 WeakPolarHBondContact OE2-CD 3.49Å; E78-A153 HydrophobicContact CB-CB 4.49Å; E78-A153 HydrophobicContact CG-CB 4.01Å; E78-A156 HydrophobicContact CB-CB 4.24Å
79A88.1Confident87.4Confident41 Ų4146 Ų4634%0.33925%0.254SS..Hα-helixtrans-61.4-38.417800000113.1T77 I82 S83T77-A79 PolarHBondContact O-N 3.29Å; A79-I82 PolarHBondContact O-N 3.48Å; A79-S83 VanDerWaalsContact O-CB 3.28Å; A79-S83 WeakPolarHBondContact O-CB 3.16Å; A79-S83 PolarHBondContact O-N 3.32Å; A79-S83 PolarHBondContact O-OG 2.88Å
80E88.9Confident87.4Confident104 Ų10451.9 Ų51.949%0.48628%0.28SS..Hα-helixtrans-65.2-43.8177.1-63.6-67.6136.600111.2V76 T77 E78 S83 L84V76-E80 HydrophobicContact CG1-CB 4.22Å; T77-E80 PolarHBondContact O-N 3.04Å; T77-E80 WeakPolarHBondContact OG1-CG 3.28Å; E78-E80 VanDerWaalsContact C-N 3.35Å; E78-E80 PolarHBondContact O-N 3.13Å; E80-S83 PolarHBondContact O-N 3.36Å; E80-L84 WeakPolarHBondContact O-CG 3.21Å; E80-L84 PolarHBondContact O-N 3.09Å
81I88.7Confident87.5Confident0 Ų046.9 Ų46.90%026%0.262CS..Hα-helixtrans-64.6-41.9177.3-57.8-56.8000111.1L69 I72 V76 T77 E78 S83 L84 G85 L94 M96 L105 L127L69-I81 HydrophobicContact CD2-CD1 4.21Å; L69-I81 HydrophobicContact CD2-CG2 4.28Å; I72-I81 HydrophobicContact CD1-CD1 3.87Å; V76-I81 HydrophobicContact CG1-CD1 3.51Å; V76-I81 HydrophobicContact CG1-CG1 3.7Å; T77-I81 PolarHBondContact O-N 3.36Å; E78-I81 PolarHBondContact O-N 3.08Å; I81-S83 VanDerWaalsContact C-N 3.32Å; I81-L84 WeakPolarHBondContact O-CB 3.45Å; I81-L84 PolarHBondContact O-N 2.97Å; I81-G85 PolarHBondContact O-N 2.96Å; I81-L94 HydrophobicContact CB-CD1 3.72Å; I81-L94 HydrophobicContact CG2-CD1 3.66Å; I81-L94 HydrophobicContact CG2-CG 4.42Å; I81-M96 HydrophobicContact CG1-CE 4.02Å; I81-L105 HydrophobicContact CG2-CB 4.41Å; I81-L105 HydrophobicContact CG2-CD1 3.97Å; I81-L105 HydrophobicContact CG2-CD2 4.27Å; I81-L105 HydrophobicContact CG2-CG 4.47Å; I81-L127 HydrophobicContact CD1-CD1 3.62Å
82I89.9Confident87.6Confident0 Ų042.9 Ų42.90%025%0.249CC..Hα-helixtrans-61.8-46.1175.7-66.4161.5000109.5E78 A79 L84 G85 L86 V91 L94 A156 L157 V160E78-I82 WeakPolarHBondContact O-CD1 3.36Å; E78-I82 WeakPolarHBondContact O-CG1 3.19Å; E78-I82 PolarHBondContact O-N 2.95Å; A79-I82 PolarHBondContact O-N 3.48Å; I82-L84 VanDerWaalsContact C-N 3.27Å; I82-L84 PolarHBondContact O-N 2.79Å; I82-G85 WeakPolarHBondContact O-CA 3.14Å; I82-G85 PolarHBondContact O-N 2.84Å; I82-L86 HydrophobicContact CG2-CD2 4.38Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.07Å; I82-L86 PolarHBondContact O-N 3.37Å; I82-V91 HydrophobicContact CG1-CG1 4.49Å; I82-V91 HydrophobicContact CG2-CB 4.32Å; I82-V91 HydrophobicContact CG2-CG2 4.24Å; I82-L94 HydrophobicContact CD1-CD1 4.21Å; I82-L94 HydrophobicContact CG1-CD1 3.65Å; I82-A156 HydrophobicContact CD1-CB 3.6Å; I82-L157 HydrophobicContact CD1-CD2 3.64Å; I82-L157 HydrophobicContact CD1-CG 3.8Å; I82-L157 HydrophobicContact CG1-CD2 3.75Å; I82-L157 HydrophobicContact CG1-CG 4.4Å; I82-L157 HydrophobicContact CG2-CD2 4.3Å; I82-V160 HydrophobicContact CG2-CB 4.46Å; I82-V160 HydrophobicContact CG2-CG1 4Å; I82-V160 HydrophobicContact CG2-CG2 3.86Å
83S88.8Confident87.8Confident58 Ų5844.9 Ų44.941%0.40626%0.26SS..Hα-helixtrans-62.3-32.2-179.6-59.60000113A79 E80 I81 G85 P87A79-S83 VanDerWaalsContact O-CB 3.28Å; A79-S83 WeakPolarHBondContact O-CB 3.16Å; A79-S83 PolarHBondContact O-N 3.32Å; A79-S83 PolarHBondContact O-OG 2.88Å; E80-S83 PolarHBondContact O-N 3.36Å; I81-S83 VanDerWaalsContact C-N 3.32Å; S83-G85 VanDerWaalsContact C-N 3.3Å; S83-G85 PolarHBondContact O-N 2.97Å; S83-P87 WeakPolarHBondContact O-CD 3.28Å
84L88Confident88.1Confident30 Ų3044.6 Ų44.616%0.15726%0.258CS..Hα-helixtrans-64.5-32.5170.8-74.7174.9000113E80 I81 I82 P87 F88 M116 L127E80-L84 WeakPolarHBondContact O-CG 3.21Å; E80-L84 PolarHBondContact O-N 3.09Å; I81-L84 WeakPolarHBondContact O-CB 3.45Å; I81-L84 PolarHBondContact O-N 2.97Å; I82-L84 VanDerWaalsContact C-N 3.27Å; I82-L84 PolarHBondContact O-N 2.79Å; L84-P87 WeakPolarHBondContact O-CD 3.43Å; L84-F88 WeakPolarHBondContact O-CD2 3.48Å; L84-F88 WeakPolarHBondContact O-CE2 3.41Å; L84-M116 HydrophobicContact CB-CE 4.17Å; L84-L127 HydrophobicContact CD1-CD1 3.87Å; L84-L127 HydrophobicContact CD1-CD2 3.79Å; L84-L127 HydrophobicContact CD1-CG 4.09Å; L84-L127 HydrophobicContact CG-CD2 4.34Å
85G88.1Confident88.5Confident0 Ų041.9 Ų41.90%024%0.238CC..Hα-helixtrans-82.3-32.2178.200000113.7I81 I82 S83 P87 F88 G89 M107I81-G85 PolarHBondContact O-N 2.96Å; I82-G85 WeakPolarHBondContact O-CA 3.14Å; I82-G85 PolarHBondContact O-N 2.84Å; S83-G85 VanDerWaalsContact C-N 3.3Å; S83-G85 PolarHBondContact O-N 2.97Å; G85-P87 VanDerWaalsContact C-CD 3.42Å; G85-F88 PolarHBondContact O-N 3.35Å; G85-G89 CarbonylContact C-O 3.54Å; G85-G89 PolarHBondContact O-N 3.26Å; G85-G89 VanDerWaalsContact O-O 3.04Å; G85-M107 WeakPolarHBondContact O-CE 3.44Å
86L89.5Confident88.6Confident57 Ų5737.4 Ų37.430%0.29821%0.214SC..THydrogen-bonded Turntrans-48.2-43.2-179-72.6-178.4000115.8I82 F88 G89I82-L86 HydrophobicContact CG2-CD2 4.38Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.07Å; I82-L86 PolarHBondContact O-N 3.37Å; L86-F88 PolarHBondContact O-N 3.47Å; L86-G89 WeakPolarHBondContact CA-O 3.39Å; L86-G89 PolarHBondContact O-N 3.21Å
87P88.8Confident88.5Confident98 Ų9838.9 Ų38.964%0.63622%0.221SC*.THydrogen-bonded Turntrans-67.4-17.7179.325-34.4000113.9S83 L84 G85S83-P87 WeakPolarHBondContact O-CD 3.28Å; L84-P87 WeakPolarHBondContact O-CD 3.43Å; G85-P87 VanDerWaalsContact C-CD 3.42Å
88F88.3Confident88Confident39 Ų3940.3 Ų40.317%0.17122%0.222CC..THydrogen-bonded Turntrans-99.3-28.3178.8-54.8-79.4000112.3L84 G85 L86 M107 A112 T115 M116 Y119 Y120L84-F88 WeakPolarHBondContact O-CD2 3.48Å; L84-F88 WeakPolarHBondContact O-CE2 3.41Å; G85-F88 PolarHBondContact O-N 3.35Å; L86-F88 PolarHBondContact O-N 3.47Å; F88-M107 HydrophobicContact CB-CE 4.32Å; F88-A112 WeakPolarHBondContact O-CB 3.5Å; F88-T115 HydrophobicContact CD1-CG2 3.89Å; F88-T115 HydrophobicContact CE1-CG2 4.42Å; F88-M116 HydrophobicContact CB-CB 4.01Å; F88-M116 HydrophobicContact CD1-CB 4.02Å; F88-M116 HydrophobicContact CD2-CB 3.81Å; F88-M116 HydrophobicContact CD2-CG 3.61Å; F88-M116 HydrophobicContact CD2-SD 4.01Å; F88-M116 HydrophobicContact CE1-CB 4.48Å; F88-M116 HydrophobicContact CE2-CB 4.32Å; F88-M116 HydrophobicContact CE2-CG 3.86Å; F88-M116 HydrophobicContact CG-CB 3.65Å; F88-M116 HydrophobicContact CG-CG 4.02Å; F88-M116 HydrophobicContact CZ-CG 4.43Å; F88-Y119 HydrophobicContact CE1-CD1 4.16Å; F88-Y119 AromaticContact CE1-CG 3.9Å; F88-Y119 HydrophobicContact CE1-CG 3.9Å; F88-Y119 AromaticContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CE1 4.39Å; F88-Y119 AromaticContact CZ-CG 3.9Å; F88-Y119 HydrophobicContact CZ-CG 3.9Å; F88-Y120 HydrophobicContact CD2-CE2 4.35Å; F88-Y120 HydrophobicContact CE2-CD2 4.24Å; F88-Y120 AromaticContact CE2-CE2 3.34Å; F88-Y120 HydrophobicContact CE2-CE2 3.34Å; F88-Y120 AromaticContact CE2-CZ 3.8Å; F88-Y120 HydrophobicContact CZ-CD2 4.25Å; F88-Y120 AromaticContact CZ-CE2 3.64Å; F88-Y120 HydrophobicContact CZ-CE2 3.64Å; F88-Y120 AromaticContact CZ-CZ 3.97Å
89G88.8Confident87.5Confident23 Ų2343.9 Ų43.924%0.23726%0.261CS..  trans167.8-179.1175.700000113.4G85 L86 M107G85-G89 CarbonylContact C-O 3.54Å; G85-G89 PolarHBondContact O-N 3.26Å; G85-G89 VanDerWaalsContact O-O 3.04Å; L86-G89 WeakPolarHBondContact CA-O 3.39Å; L86-G89 PolarHBondContact O-N 3.21Å; G89-M107 WeakPolarHBondContact O-CE 3.26Å
90K90.2Very high87.2Confident124 Ų12449 Ų4954%0.53928%0.276SS..  trans-69.1134.7176.5-176.9173.3-178.2176.30110.4A108K90-A108 HydrophobicContact CB-CB 3.94Å; K90-A108 HydrophobicContact CG-CB 4.43Å; K90-A108 VanDerWaalsContact O-CB 3.3Å; K90-A108 WeakPolarHBondContact O-CB 3.44Å; K90-A108 PolarHBondContact O-N 3.37Å
91V90.4Very high87.1Confident9 Ų946.8 Ų46.86%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-89.5130.7172.3-178.90000109.1I82 L105 E106 M107 L157I82-V91 HydrophobicContact CG1-CG1 4.49Å; I82-V91 HydrophobicContact CG2-CB 4.32Å; I82-V91 HydrophobicContact CG2-CG2 4.24Å; V91-L105 HydrophobicContact CB-CD1 4.27Å; V91-L105 HydrophobicContact CG1-CD1 3.24Å; V91-L105 HydrophobicContact CG1-CG 4.17Å; V91-L105 HydrophobicContact CG2-CD1 3.99Å; V91-L105 HydrophobicContact CG2-CD2 4.48Å; V91-L105 HydrophobicContact CG2-CG 4.45Å; V91-E106 WeakPolarHBondContact CA-O 3.36Å; V91-E106 WeakPolarHBondContact CG1-O 3.46Å; V91-M107 HydrophobicContact CG2-CE 4.44Å; V91-M107 HydrophobicContact CG2-SD 4Å; V91-L157 HydrophobicContact CB-CD2 3.89Å; V91-L157 HydrophobicContact CG1-CD2 3.54Å
92T89.2Confident87.1Confident52 Ų5249 Ų4932%0.31928%0.282SS..EExtended strand (participates in β ladder)trans-100.1-40.817947.10000112.7E106 A108T92-E106 PolarHBondContact N-O 3.42Å; T92-E106 WeakPolarHBondContact OG1-CG 3.34Å; T92-E106 PolarHBondContact OG1-O 2.89Å; T92-E106 PolarHBondContact OG1-OE1 2.78Å; T92-A108 HydrophobicContact CG2-CB 3.69Å
93N90.1Very high87.1Confident47 Ų4749 Ų4925%0.25128%0.282SS..EExtended strand (participates in β ladder)trans-139.7153.2-178.1-71.2-69.3000111.6E106 L142N93-E106 HydrophobicContact CB-CB 3.74Å; N93-E106 HydrophobicContact CB-CG 4.47Å; N93-E106 PolarHBondContact N-O 2.86Å; N93-E106 PolarHBondContact ND2-OE1 3.22Å; N93-E106 PolarHBondContact O-N 2.71Å; N93-L142 HydrophobicContact CB-CB 4.3Å; N93-L142 HydrophobicContact CB-CD2 4.28Å
94L89.1Confident87.2Confident3 Ų348 Ų482%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-145.3140.1176.2-178.9160.8000110.3E78 I81 I82 M96 F104 L105 A153 L157E78-L94 HydrophobicContact CB-CD1 4.26Å; E78-L94 HydrophobicContact CB-CD2 4.33Å; E78-L94 HydrophobicContact CG-CD2 4.08Å; E78-L94 WeakPolarHBondContact O-CD1 3.49Å; I81-L94 HydrophobicContact CB-CD1 3.72Å; I81-L94 HydrophobicContact CG2-CD1 3.66Å; I81-L94 HydrophobicContact CG2-CG 4.42Å; I82-L94 HydrophobicContact CD1-CD1 4.21Å; I82-L94 HydrophobicContact CG1-CD1 3.65Å; L94-M96 HydrophobicContact CD2-CG 3.56Å; L94-F104 WeakPolarHBondContact CA-O 3.35Å; L94-L105 HydrophobicContact CB-CD1 4.34Å; L94-L105 HydrophobicContact CD1-CD1 4.19Å; L94-L105 HydrophobicContact CG-CD1 4.41Å; L94-A153 HydrophobicContact CB-CB 4.29Å; L94-A153 HydrophobicContact CD2-CB 3.73Å; L94-L157 HydrophobicContact CB-CD1 4.39Å
95L87.2Confident87.4Confident24 Ų2446.5 Ų46.513%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-135.7117.7174.5-177.967.2000109.7L97 A103 F104 L142 T144 L147L95-L97 HydrophobicContact CD2-CD1 4.04Å; L95-L97 HydrophobicContact CG-CD1 3.98Å; L95-A103 CarbonylContact O-C 3.47Å; L95-A103 VanDerWaalsContact O-CA 3.26Å; L95-A103 WeakPolarHBondContact O-CA 3.46Å; L95-F104 HydrophobicContact CB-CB 4.31Å; L95-F104 HydrophobicContact CD2-CD2 4.3Å; L95-F104 PolarHBondContact N-O 2.7Å; L95-F104 PolarHBondContact O-N 2.86Å; L95-L142 HydrophobicContact CB-CD1 3.96Å; L95-L142 HydrophobicContact CB-CD2 3.61Å; L95-L142 HydrophobicContact CB-CG 3.94Å; L95-L142 HydrophobicContact CD2-CD1 3.95Å; L95-T144 HydrophobicContact CB-CG2 4.4Å; L95-L147 HydrophobicContact CD1-CB 4.44Å; L95-L147 HydrophobicContact CD1-CD2 3.92Å
96M86.4Confident87.6Confident6 Ų647.7 Ų47.73%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-96139.3171.1-60.6-168.793.900110.3I72 V76 E78 I81 L94 A103 N149I72-M96 HydrophobicContact CG2-CE 3.82Å; V76-M96 HydrophobicContact CB-CE 4.28Å; V76-M96 HydrophobicContact CG1-CE 3.77Å; V76-M96 WeakPolarHBondContact O-CE 3.13Å; E78-M96 HydrophobicContact CB-SD 4.44Å; E78-M96 HydrophobicContact CG-CG 4.24Å; E78-M96 HydrophobicContact CG-SD 3.66Å; I81-M96 HydrophobicContact CG1-CE 4.02Å; L94-M96 HydrophobicContact CD2-CG 3.56Å; M96-A103 HydrophobicContact CG-CB 4.4Å; M96-N149 PolarHBondContact O-ND2 3.42Å
97L85Confident87.7Confident37 Ų3745 Ų4519%0.19426%0.255CS..EExtended strand (participates in β ladder)trans-111.781.5171.4-71.379.8000108.2L95 G99 K100 S101 Q102 F104L95-L97 HydrophobicContact CD2-CD1 4.04Å; L95-L97 HydrophobicContact CG-CD1 3.98Å; L97-G99 PolarHBondContact O-N 2.96Å; L97-K100 HydrophobicContact CB-CB 4.2Å; L97-K100 HydrophobicContact CD2-CD 4.1Å; L97-K100 PolarHBondContact O-N 3.29Å; L97-S101 PolarHBondContact O-N 2.92Å; L97-Q102 WeakPolarHBondContact CA-O 3.47Å; L97-Q102 HydrophobicContact CB-CB 4.18Å; L97-Q102 WeakPolarHBondContact CB-O 3.37Å; L97-Q102 PolarHBondContact N-O 3.45Å; L97-Q102 PolarHBondContact O-N 2.96Å; L97-F104 HydrophobicContact CD1-CD2 3.53Å; L97-F104 HydrophobicContact CD1-CE2 3.58Å; L97-F104 HydrophobicContact CD2-CE2 4.41Å
98K76.8Confident87.8Confident88 Ų8842.5 Ų42.538%0.38324%0.242SC..THydrogen-bonded Turntrans-58.1-29.9-179.6-79-177163.7147.90113.4E78E78-K98 IonicContact OE1-NZ 3.72Å
99G78.4Confident87.8Confident82 Ų8242.5 Ų42.585%0.84525%0.247SC*.THydrogen-bonded Turntrans-78.8-13175.600000115.5L97L97-G99 PolarHBondContact O-N 2.96Å
100K81Confident87.9Confident147 Ų14743.5 Ų43.564%0.63925%0.245SC*.THydrogen-bonded Turntrans-122.73.1-177.8-66.9-176.4175.3176.10113.6L97 Q102L97-K100 HydrophobicContact CB-CB 4.2Å; L97-K100 HydrophobicContact CD2-CD 4.1Å; L97-K100 PolarHBondContact O-N 3.29Å; K100-Q102 HydrophobicContact CB-CG 4.38Å; K100-Q102 WeakPolarHBondContact O-CG 3.24Å; K100-Q102 PolarHBondContact O-N 3.2Å
101S86.4Confident87.8Confident59 Ų5943.7 Ų43.741%0.41325%0.248SC..THydrogen-bonded Turntrans51.840.8-175.4-58.40000112.4K71 I72 L97K71-S101 PolarHBondContact N-O 3.25Å; I72-S101 PolarHBondContact N-O 2.98Å; I72-S101 WeakPolarHBondContact O-CA 3.44Å; I72-S101 VanDerWaalsContact O-CB 3.24Å; I72-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 2.92Å
102Q89.6Confident87.9Confident46 Ų4643.6 Ų43.622%0.21525%0.248CC..EExtended strand (participates in β ladder)trans-126.1152.5-179.8-71.4174.7-63.700109.2H68 L69 L97 K100H68-Q102 PolarHBondContact CE1-NE2 3.02Å; H68-Q102 VanDerWaalsContact CE1-NE2 3.31Å; H68-Q102 PolarHBondContact NE2-NE2 2.99Å; L69-Q102 WeakPolarHBondContact O-CA 3.32Å; L97-Q102 WeakPolarHBondContact CA-O 3.47Å; L97-Q102 HydrophobicContact CB-CB 4.18Å; L97-Q102 WeakPolarHBondContact CB-O 3.37Å; L97-Q102 PolarHBondContact N-O 3.45Å; L97-Q102 PolarHBondContact O-N 2.96Å; K100-Q102 HydrophobicContact CB-CG 4.38Å; K100-Q102 WeakPolarHBondContact O-CG 3.24Å; K100-Q102 PolarHBondContact O-N 3.2Å
103A89.8Confident87.9Confident0 Ų041.1 Ų41.10%023%0.233CC..EExtended strand (participates in β ladder)trans-139.6158.4167.700000110L69 I72 L95 M96L69-A103 HydrophobicContact CB-CB 4.31Å; L69-A103 PolarHBondContact N-O 2.74Å; L69-A103 PolarHBondContact O-N 3.39Å; I72-A103 HydrophobicContact CG1-CB 3.88Å; L95-A103 CarbonylContact O-C 3.47Å; L95-A103 VanDerWaalsContact O-CA 3.26Å; L95-A103 WeakPolarHBondContact O-CA 3.46Å; M96-A103 HydrophobicContact CG-CB 4.4Å
104F90.8Very high87.9Confident36 Ų3640.7 Ų40.716%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-124.8138.4171.5-64.1-90.9000108.9V66 L67 H68 L94 L95 L97 L142V66-F104 HydrophobicContact CG1-CB 4.29Å; V66-F104 HydrophobicContact CG1-CD1 4.3Å; L67-F104 CarbonylContact O-C 3.52Å; L67-F104 VanDerWaalsContact O-CA 3.22Å; L67-F104 WeakPolarHBondContact O-CA 3.35Å; H68-F104 HydrophobicContact CB-CD1 3.95Å; H68-F104 HydrophobicContact CB-CE1 3.74Å; H68-F104 AromaticContact CD2-CE1 3.72Å; H68-F104 AromaticContact CD2-CZ 3.8Å; H68-F104 AromaticContact CG-CE1 3.73Å; L94-F104 WeakPolarHBondContact CA-O 3.35Å; L95-F104 HydrophobicContact CB-CB 4.31Å; L95-F104 HydrophobicContact CD2-CD2 4.3Å; L95-F104 PolarHBondContact N-O 2.7Å; L95-F104 PolarHBondContact O-N 2.86Å; L97-F104 HydrophobicContact CD1-CD2 3.53Å; L97-F104 HydrophobicContact CD1-CE2 3.58Å; L97-F104 HydrophobicContact CD2-CE2 4.41Å; F104-L142 HydrophobicContact CB-CD1 3.37Å; F104-L142 HydrophobicContact CB-CD2 3.76Å; F104-L142 HydrophobicContact CB-CG 4.21Å; F104-L142 HydrophobicContact CD1-CD1 4.47Å; F104-L142 HydrophobicContact CD2-CD1 4.38Å; F104-L142 HydrophobicContact CG-CD1 3.86Å
105L91.8Very high87.9Confident0 Ų044.3 Ų44.30%025%0.254CS..EExtended strand (participates in β ladder)trans-128.9124.8-177.6-175.265000108.7V66 L67 L69 I81 V91 L94 M107 M116V66-L105 CarbonylContact C-O 3.54Å; V66-L105 WeakPolarHBondContact CA-O 3.34Å; L67-L105 HydrophobicContact CB-CB 4.45Å; L67-L105 PolarHBondContact N-O 2.82Å; L67-L105 PolarHBondContact O-N 2.75Å; L69-L105 HydrophobicContact CD1-CB 3.67Å; I81-L105 HydrophobicContact CG2-CB 4.41Å; I81-L105 HydrophobicContact CG2-CD1 3.97Å; I81-L105 HydrophobicContact CG2-CD2 4.27Å; I81-L105 HydrophobicContact CG2-CG 4.47Å; V91-L105 HydrophobicContact CB-CD1 4.27Å; V91-L105 HydrophobicContact CG1-CD1 3.24Å; V91-L105 HydrophobicContact CG1-CG 4.17Å; V91-L105 HydrophobicContact CG2-CD1 3.99Å; V91-L105 HydrophobicContact CG2-CD2 4.48Å; V91-L105 HydrophobicContact CG2-CG 4.45Å; L94-L105 HydrophobicContact CB-CD1 4.34Å; L94-L105 HydrophobicContact CD1-CD1 4.19Å; L94-L105 HydrophobicContact CG-CD1 4.41Å; L105-M107 HydrophobicContact CD2-SD 4.1Å; L105-M107 HydrophobicContact CG-SD 4.23Å; L105-M116 HydrophobicContact CD2-CE 3.89Å; L105-M116 HydrophobicContact CD2-SD 4.18Å
106E91.4Very high88Confident24 Ų2443.1 Ų43.111%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-105.3126.9176.4-169.5-175.7108.400110.2V66 V91 T92 N93 L142V66-E106 HydrophobicContact CG2-CB 4.12Å; V66-E106 HydrophobicContact CG2-CG 3.81Å; V91-E106 WeakPolarHBondContact CA-O 3.36Å; V91-E106 WeakPolarHBondContact CG1-O 3.46Å; T92-E106 PolarHBondContact N-O 3.42Å; T92-E106 WeakPolarHBondContact OG1-CG 3.34Å; T92-E106 PolarHBondContact OG1-O 2.89Å; T92-E106 PolarHBondContact OG1-OE1 2.78Å; N93-E106 HydrophobicContact CB-CB 3.74Å; N93-E106 HydrophobicContact CB-CG 4.47Å; N93-E106 PolarHBondContact N-O 2.86Å; N93-E106 PolarHBondContact ND2-OE1 3.22Å; N93-E106 PolarHBondContact O-N 2.71Å; E106-L142 HydrophobicContact CB-CB 4.36Å; E106-L142 WeakPolarHBondContact OE2-CB 3.41Å; E106-L142 PolarHBondContact OE2-N 3.27Å
107M91.9Very high88.1Confident2 Ų243.3 Ų43.31%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-92.5147.6176-55.6-57.6-69.900110.2R65 L67 G85 F88 G89 V91 L105 S109 A112 A113 M116R65-M107 PolarHBondContact O-N 3.36Å; L67-M107 HydrophobicContact CD1-CG 4.31Å; G85-M107 WeakPolarHBondContact O-CE 3.44Å; F88-M107 HydrophobicContact CB-CE 4.32Å; G89-M107 WeakPolarHBondContact O-CE 3.26Å; V91-M107 HydrophobicContact CG2-CE 4.44Å; V91-M107 HydrophobicContact CG2-SD 4Å; L105-M107 HydrophobicContact CD2-SD 4.1Å; L105-M107 HydrophobicContact CG-SD 4.23Å; M107-S109 WeakPolarHBondContact CB-O 3.49Å; M107-S109 PolarHBondContact O-N 2.98Å; M107-A112 HydrophobicContact CB-CB 4.24Å; M107-A112 HydrophobicContact CE-CB 3.95Å; M107-A113 HydrophobicContact CB-CB 4.11Å; M107-A113 HydrophobicContact CG-CB 3.85Å; M107-M116 HydrophobicContact SD-SD 4.36Å
108A90.6Very high88.3Confident44 Ų4446.1 Ų46.136%0.36427%0.265SS..SBendtrans-61.4-29.9175.800000112.9K90 T92K90-A108 HydrophobicContact CB-CB 3.94Å; K90-A108 HydrophobicContact CG-CB 4.43Å; K90-A108 VanDerWaalsContact O-CB 3.3Å; K90-A108 WeakPolarHBondContact O-CB 3.44Å; K90-A108 PolarHBondContact O-N 3.37Å; T92-A108 HydrophobicContact CG2-CB 3.69Å
109S89.9Confident88.9Confident40 Ų4047.6 Ų47.628%0.2827%0.269SS..SBendtrans-128.7146.6-177.3136.80000110M107 E111 A112 A113M107-S109 WeakPolarHBondContact CB-O 3.49Å; M107-S109 PolarHBondContact O-N 2.98Å; S109-E111 VanDerWaalsContact C-N 3.34Å; S109-E111 WeakPolarHBondContact CB-OE2 3.45Å; S109-E111 PolarHBondContact OG-N 3.48Å; S109-E111 PolarHBondContact OG-OE2 3.31Å; S109-A112 PolarHBondContact OG-N 3.28Å; S109-A113 PolarHBondContact O-N 3.42Å
110E89.1Confident89.2Confident44 Ų4445.2 Ų45.221%0.20623%0.234CC..Hα-helixtrans-71.3-36.7179.7-165.2173.1109.100110.6P63 R65 A112 A113 V114 R140P63-E110 HydrophobicContact CB-CG 4.19Å; R65-E110 HydrophobicContact CG-CB 3.69Å; R65-E110 HydrophobicContact CG-CG 4.04Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 2.9Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 2.94Å; E110-A113 VanDerWaalsContact O-N 3.11Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.44Å; E110-V114 PolarHBondContact O-N 3.04Å; E110-R140 IonicContact OE2-NH2 3.37Å; E110-R140 PolarHBondContact OE2-NH2 3.33Å
111E89.8Confident89.3Confident127 Ų12742.4 Ų42.459%0.59323%0.23SC*.Hα-helixtrans-59.3-40176.2-55.879.7-178.600111.6S109 V114 T115S109-E111 VanDerWaalsContact C-N 3.34Å; S109-E111 WeakPolarHBondContact CB-OE2 3.45Å; S109-E111 PolarHBondContact OG-N 3.48Å; S109-E111 PolarHBondContact OG-OE2 3.31Å; E111-V114 PolarHBondContact O-N 3.24Å; E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 2.77Å
112A90.9Very high89.1Confident7 Ų743.6 Ų43.66%0.05824%0.236CC..Hα-helixtrans-62.9-45.3174.200000111.7F88 M107 S109 E110 V114 T115 M116F88-A112 WeakPolarHBondContact O-CB 3.5Å; M107-A112 HydrophobicContact CB-CB 4.24Å; M107-A112 HydrophobicContact CE-CB 3.95Å; S109-A112 PolarHBondContact OG-N 3.28Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 2.9Å; A112-V114 PolarHBondContact O-N 3.39Å; A112-T115 PolarHBondContact O-N 3.24Å; A112-M116 WeakPolarHBondContact O-CB 3.38Å; A112-M116 PolarHBondContact O-N 2.73Å
113A90.3Very high88.5Confident0 Ų045.1 Ų45.10%025%0.245CC..Hα-helixtrans-63.4-41.7177.400000111.9S64 L67 M107 S109 E110 M116 V117S64-A113 VanDerWaalsContact O-CB 3.26Å; S64-A113 WeakPolarHBondContact O-CB 3.41Å; L67-A113 HydrophobicContact CD1-CB 4.36Å; L67-A113 HydrophobicContact CD2-CB 3.95Å; L67-A113 HydrophobicContact CG-CB 4.17Å; M107-A113 HydrophobicContact CB-CB 4.11Å; M107-A113 HydrophobicContact CG-CB 3.85Å; S109-A113 PolarHBondContact O-N 3.42Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 2.94Å; E110-A113 VanDerWaalsContact O-N 3.11Å; A113-M116 PolarHBondContact O-N 2.86Å; A113-V117 WeakPolarHBondContact O-CG2 3.41Å; A113-V117 PolarHBondContact O-N 3.49Å
114V89.1Confident88.1Confident39 Ų3947.4 Ų47.424%0.23626%0.259CS..Hα-helixtrans-61.6-47.5177.5172.30000111.4P63 E110 E111 A112 M116 V117 N118 Y136P63-V114 HydrophobicContact CB-CG2 3.63Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.44Å; E110-V114 PolarHBondContact O-N 3.04Å; E111-V114 PolarHBondContact O-N 3.24Å; A112-V114 PolarHBondContact O-N 3.39Å; V114-M116 VanDerWaalsContact C-N 3.32Å; V114-M116 PolarHBondContact O-N 2.79Å; V114-V117 PolarHBondContact O-N 3.27Å; V114-N118 WeakPolarHBondContact O-CB 3.3Å; V114-N118 VanDerWaalsContact O-CG 3.3Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 2.91Å; V114-Y136 VanDerWaalsContact CA-OH 3.29Å; V114-Y136 WeakPolarHBondContact CA-OH 3.21Å; V114-Y136 HydrophobicContact CG2-CE1 4.28Å; V114-Y136 WeakPolarHBondContact CG2-OH 3.42Å
115T89.6Confident87.6Confident78 Ų7846.3 Ų46.348%0.47926%0.255SS..Hα-helixtrans-61.1-42.8178.8-54.50000111.2F88 E111 A112 N118 Y119F88-T115 HydrophobicContact CD1-CG2 3.89Å; F88-T115 HydrophobicContact CE1-CG2 4.42Å; E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 2.77Å; A112-T115 PolarHBondContact O-N 3.24Å; T115-N118 PolarHBondContact O-N 2.86Å; T115-Y119 WeakPolarHBondContact O-CB 3.4Å; T115-Y119 PolarHBondContact O-N 2.88Å
116M90.6Very high87.1Confident0 Ų052.1 Ų52.10%028%0.282CS..Hα-helixtrans-61.4-47.3178.3-173.3171.8-17700112.3L67 L84 F88 L105 M107 A112 A113 V114 Y119 Y120 I134L67-M116 HydrophobicContact CD1-CB 3.99Å; L67-M116 HydrophobicContact CD1-CE 4.4Å; L67-M116 HydrophobicContact CD1-CG 3.86Å; L67-M116 HydrophobicContact CD1-SD 3.32Å; L67-M116 WeakPolarHBondContact CD1-SD 3.22Å; L84-M116 HydrophobicContact CB-CE 4.17Å; F88-M116 HydrophobicContact CB-CB 4.01Å; F88-M116 HydrophobicContact CD1-CB 4.02Å; F88-M116 HydrophobicContact CD2-CB 3.81Å; F88-M116 HydrophobicContact CD2-CG 3.61Å; F88-M116 HydrophobicContact CD2-SD 4.01Å; F88-M116 HydrophobicContact CE1-CB 4.48Å; F88-M116 HydrophobicContact CE2-CB 4.32Å; F88-M116 HydrophobicContact CE2-CG 3.86Å; F88-M116 HydrophobicContact CG-CB 3.65Å; F88-M116 HydrophobicContact CG-CG 4.02Å; F88-M116 HydrophobicContact CZ-CG 4.43Å; L105-M116 HydrophobicContact CD2-CE 3.89Å; L105-M116 HydrophobicContact CD2-SD 4.18Å; M107-M116 HydrophobicContact SD-SD 4.36Å; A112-M116 WeakPolarHBondContact O-CB 3.38Å; A112-M116 PolarHBondContact O-N 2.73Å; A113-M116 PolarHBondContact O-N 2.86Å; V114-M116 VanDerWaalsContact C-N 3.32Å; V114-M116 PolarHBondContact O-N 2.79Å; M116-Y119 PolarHBondContact O-N 2.91Å; M116-Y120 HydrophobicContact CE-CD2 4.29Å; M116-Y120 HydrophobicContact CE-CE2 3.89Å; M116-Y120 HydrophobicContact CG-CD2 3.67Å; M116-Y120 HydrophobicContact CG-CE2 3.78Å; M116-Y120 VanDerWaalsContact O-CD2 3.25Å; M116-Y120 WeakPolarHBondContact O-CD2 3.3Å; M116-Y120 PolarHBondContact O-N 3.03Å; M116-I134 HydrophobicContact CE-CD1 4.08Å
117V88.3Confident86.7Confident10 Ų1051.6 Ų51.66%0.06128%0.28CS..Hα-helixtrans-65.9-39.7178.21750000111.4L67 A113 V114 Y119 Y120 T121 I134 Y136L67-V117 HydrophobicContact CD1-CG2 4.39Å; L67-V117 HydrophobicContact CD2-CG2 3.29Å; L67-V117 HydrophobicContact CG-CG2 4.43Å; A113-V117 WeakPolarHBondContact O-CG2 3.41Å; A113-V117 PolarHBondContact O-N 3.49Å; V114-V117 PolarHBondContact O-N 3.27Å; V117-Y119 VanDerWaalsContact C-N 3.33Å; V117-Y119 PolarHBondContact O-N 2.88Å; V117-Y120 PolarHBondContact O-N 3.23Å; V117-T121 WeakPolarHBondContact O-CB 3.41Å; V117-T121 PolarHBondContact O-N 3.27Å; V117-T121 PolarHBondContact O-OG1 2.91Å; V117-I134 HydrophobicContact CG2-CG2 4.23Å; V117-Y136 HydrophobicContact CB-CE1 4.34Å; V117-Y136 HydrophobicContact CB-CE2 4.32Å; V117-Y136 HydrophobicContact CG1-CD2 4.4Å; V117-Y136 HydrophobicContact CG1-CE2 3.92Å; V117-Y136 HydrophobicContact CG2-CD1 4.17Å; V117-Y136 HydrophobicContact CG2-CE1 3.9Å; V117-Y136 HydrophobicContact CG2-CE2 4.44Å
118N88.9Confident86.1Confident96 Ų9659.7 Ų59.751%0.51331%0.311SS..Hα-helixtrans-65.7-36.9178.1-77.3-17.7000112.2V114 T115 P122V114-N118 WeakPolarHBondContact O-CB 3.3Å; V114-N118 VanDerWaalsContact O-CG 3.3Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 2.91Å; T115-N118 PolarHBondContact O-N 2.86Å; N118-P122 WeakPolarHBondContact O-CD 3.25Å
119Y88.3Confident85.5Confident118 Ų11863.1 Ų63.146%0.46333%0.332SS..Hα-helixtrans-71.5-44.2176.9-175.3-93.5000112.2F88 T115 M116 V117 P122 I123F88-Y119 HydrophobicContact CE1-CD1 4.16Å; F88-Y119 AromaticContact CE1-CG 3.9Å; F88-Y119 HydrophobicContact CE1-CG 3.9Å; F88-Y119 AromaticContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CE1 4.39Å; F88-Y119 AromaticContact CZ-CG 3.9Å; F88-Y119 HydrophobicContact CZ-CG 3.9Å; T115-Y119 WeakPolarHBondContact O-CB 3.4Å; T115-Y119 PolarHBondContact O-N 2.88Å; M116-Y119 PolarHBondContact O-N 2.91Å; V117-Y119 VanDerWaalsContact C-N 3.33Å; V117-Y119 PolarHBondContact O-N 2.88Å; Y119-P122 VanDerWaalsContact O-CD 3.27Å; Y119-P122 WeakPolarHBondContact O-CD 3.38Å; Y119-I123 HydrophobicContact CD2-CD1 4.41Å; Y119-I123 HydrophobicContact CE1-CD1 4.12Å; Y119-I123 HydrophobicContact CE2-CD1 3.93Å
120Y85.7Confident85.2Confident32 Ų3265.8 Ų65.813%0.12534%0.34CS..Hα-helixtrans-86.5-5.4-178-67.7-58000114.8F88 M116 V117 I123 P125 I134F88-Y120 HydrophobicContact CD2-CE2 4.35Å; F88-Y120 HydrophobicContact CE2-CD2 4.24Å; F88-Y120 AromaticContact CE2-CE2 3.34Å; F88-Y120 HydrophobicContact CE2-CE2 3.34Å; F88-Y120 AromaticContact CE2-CZ 3.8Å; F88-Y120 HydrophobicContact CZ-CD2 4.25Å; F88-Y120 AromaticContact CZ-CE2 3.64Å; F88-Y120 HydrophobicContact CZ-CE2 3.64Å; F88-Y120 AromaticContact CZ-CZ 3.97Å; M116-Y120 HydrophobicContact CE-CD2 4.29Å; M116-Y120 HydrophobicContact CE-CE2 3.89Å; M116-Y120 HydrophobicContact CG-CD2 3.67Å; M116-Y120 HydrophobicContact CG-CE2 3.78Å; M116-Y120 VanDerWaalsContact O-CD2 3.25Å; M116-Y120 WeakPolarHBondContact O-CD2 3.3Å; M116-Y120 PolarHBondContact O-N 3.03Å; V117-Y120 PolarHBondContact O-N 3.23Å; Y120-I123 CarbonylContact C-O 3.53Å; Y120-I123 WeakPolarHBondContact CA-O 3.32Å; Y120-I123 WeakPolarHBondContact CD1-O 3.45Å; Y120-I123 CarbonylContact O-C 3.57Å; Y120-P125 HydrophobicContact CD1-CB 3.87Å; Y120-P125 HydrophobicContact CD1-CG 3.66Å; Y120-P125 HydrophobicContact CE1-CB 3.7Å; Y120-P125 HydrophobicContact CE1-CG 3.97Å; Y120-P125 HydrophobicContact CG-CG 4.07Å; Y120-I134 HydrophobicContact CD2-CD1 3.34Å; Y120-I134 HydrophobicContact CE2-CD1 3.93Å; Y120-I134 HydrophobicContact CG-CD1 3.66Å
121T82.9Confident85.1Confident89 Ų8966.1 Ų66.155%0.54635%0.346SS..THydrogen-bonded Turntrans-61.2-52.9170-86.80000112.4V117V117-T121 WeakPolarHBondContact O-CB 3.41Å; V117-T121 PolarHBondContact O-N 3.27Å; V117-T121 PolarHBondContact O-OG1 2.91Å
122P81Confident85Confident83 Ų8360.1 Ų60.154%0.53932%0.318SS..THydrogen-bonded Turntrans-82.4-26.9174.930.8-34.1000113.2N118 Y119N118-P122 WeakPolarHBondContact O-CD 3.25Å; Y119-P122 VanDerWaalsContact O-CD 3.27Å; Y119-P122 WeakPolarHBondContact O-CD 3.38Å
123I78.7Confident84.9Confident79 Ų7965.5 Ų65.541%0.40534%0.338SS..SBendtrans-112.9107.1-172.7-60.3164.4000108.7Y119 Y120 P125Y119-I123 HydrophobicContact CD2-CD1 4.41Å; Y119-I123 HydrophobicContact CE1-CD1 4.12Å; Y119-I123 HydrophobicContact CE2-CD1 3.93Å; Y120-I123 CarbonylContact C-O 3.53Å; Y120-I123 WeakPolarHBondContact CA-O 3.32Å; Y120-I123 WeakPolarHBondContact CD1-O 3.45Å; Y120-I123 CarbonylContact O-C 3.57Å; I123-P125 VanDerWaalsContact O-CD 3.24Å; I123-P125 WeakPolarHBondContact O-CD 3.31Å
124T80.6Confident84.9Confident48 Ų4866 Ų6629%0.29434%0.341SS..  trans-76.5116.7178.5-52.40000110.4H126 P131 V132T124-H126 PolarHBondContact O-CE1 2.93Å; T124-H126 VanDerWaalsContact O-CE1 3.27Å; T124-H126 PolarHBondContact O-ND1 2.79Å; T124-P131 HydrophobicContact CG2-CB 3.59Å; T124-V132 WeakPolarHBondContact CG2-O 3.2Å
125P80.5Confident84.9Confident12 Ų1268.5 Ų68.58%0.07835%0.349CS..  trans-68140.4174.525.4-29000110.1Y120 I123 V132 I134Y120-P125 HydrophobicContact CD1-CB 3.87Å; Y120-P125 HydrophobicContact CD1-CG 3.66Å; Y120-P125 HydrophobicContact CE1-CB 3.7Å; Y120-P125 HydrophobicContact CE1-CG 3.97Å; Y120-P125 HydrophobicContact CG-CG 4.07Å; I123-P125 VanDerWaalsContact O-CD 3.24Å; I123-P125 WeakPolarHBondContact O-CD 3.31Å; P125-V132 WeakPolarHBondContact CD-O 3.5Å; P125-V132 HydrophobicContact CG-CB 4.28Å; P125-V132 PolarHBondContact O-N 3.49Å; P125-I134 HydrophobicContact CG-CD1 3.81Å; P125-I134 HydrophobicContact CG-CG1 4.44Å
126H80.7Confident84.9Confident123 Ų12366.2 Ų66.257%0.56933%0.332SS*.EExtended strand (participates in β ladder)trans-109.4114.5176.1-63.178.2000109.1T124 Q130T124-H126 PolarHBondContact O-CE1 2.93Å; T124-H126 VanDerWaalsContact O-CE1 3.27Å; T124-H126 PolarHBondContact O-ND1 2.79Å; H126-Q130 CarbonylContact C-O 3.55Å; H126-Q130 VanDerWaalsContact CA-O 3.3Å; H126-Q130 WeakPolarHBondContact CA-O 3.43Å
127L83.1Confident84.6Confident12 Ų1266.8 Ų66.86%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-98.3119.6171.1-71.5-177.6000108.7I72 P73 V76 I81 L84 S129 Q130 V132I72-L127 HydrophobicContact CD1-CD1 4.08Å; P73-L127 HydrophobicContact CG-CB 4.47Å; V76-L127 HydrophobicContact CG1-CD1 3.99Å; V76-L127 HydrophobicContact CG2-CB 3.76Å; V76-L127 HydrophobicContact CG2-CD1 3.77Å; V76-L127 HydrophobicContact CG2-CG 4.31Å; I81-L127 HydrophobicContact CD1-CD1 3.62Å; L84-L127 HydrophobicContact CD1-CD1 3.87Å; L84-L127 HydrophobicContact CD1-CD2 3.79Å; L84-L127 HydrophobicContact CD1-CG 4.09Å; L84-L127 HydrophobicContact CG-CD2 4.34Å; L127-S129 PolarHBondContact O-N 3.41Å; L127-Q130 PolarHBondContact N-O 3.42Å; L127-Q130 WeakPolarHBondContact O-CB 3.41Å; L127-Q130 PolarHBondContact O-N 3.11Å; L127-V132 HydrophobicContact CB-CG2 3.97Å; L127-V132 HydrophobicContact CD1-CG2 3.9Å; L127-V132 HydrophobicContact CG-CG2 3.93Å
128R78.6Confident84.3Confident172 Ų17274 Ų7465%0.64938%0.375SS*.THydrogen-bonded Turntrans52.340.7-176.4-55179.764.384.11.6112.8D75 Q130D75-R128 IonicContact OD2-NE 3.95Å; R128-Q130 VanDerWaalsContact C-N 3.26Å; R128-Q130 PolarHBondContact O-N 2.73Å
129S79.9Confident83.8Confident117 Ų11775.4 Ų75.482%0.81838%0.378SS*.THydrogen-bonded Turntrans6814.8-174.8-50.80000115.6L127L127-S129 PolarHBondContact O-N 3.41Å
130Q83Confident83.3Confident96 Ų9677.6 Ų77.645%0.44939%0.385SS..EExtended strand (participates in β ladder)trans-111.3127.3177.2-136.4173.1100.400110.8P73 H126 L127 R128 V132P73-Q130 HydrophobicContact CG-CB 4.01Å; H126-Q130 CarbonylContact C-O 3.55Å; H126-Q130 VanDerWaalsContact CA-O 3.3Å; H126-Q130 WeakPolarHBondContact CA-O 3.43Å; L127-Q130 PolarHBondContact N-O 3.42Å; L127-Q130 WeakPolarHBondContact O-CB 3.41Å; L127-Q130 PolarHBondContact O-N 3.11Å; R128-Q130 VanDerWaalsContact C-N 3.26Å; R128-Q130 PolarHBondContact O-N 2.73Å; Q130-V132 PolarHBondContact O-N 3.31Å
131P86.6Confident83Confident50 Ų5083.6 Ų83.633%0.32541%0.414SS..EExtended strand (participates in β ladder)trans-69.6131.6-178.727-33.5000111.5T124T124-P131 HydrophobicContact CG2-CB 3.59Å
132V88.1Confident83Confident1 Ų180.3 Ų80.31%0.00639%0.393CS..  trans-112.7138.5179.8174.70000109.6L69 I72 T124 P125 L127 Q130 I134L69-V132 HydrophobicContact CB-CG1 4.22Å; L69-V132 HydrophobicContact CD2-CG1 4.25Å; I72-V132 HydrophobicContact CD1-CB 4.33Å; I72-V132 HydrophobicContact CD1-CG1 3.42Å; I72-V132 VanDerWaalsContact CD1-CG1 3.42Å; I72-V132 HydrophobicContact CD1-CG2 3.9Å; I72-V132 HydrophobicContact CG1-CG1 4.49Å; T124-V132 WeakPolarHBondContact CG2-O 3.2Å; P125-V132 WeakPolarHBondContact CD-O 3.5Å; P125-V132 HydrophobicContact CG-CB 4.28Å; P125-V132 PolarHBondContact O-N 3.49Å; L127-V132 HydrophobicContact CB-CG2 3.97Å; L127-V132 HydrophobicContact CD1-CG2 3.9Å; L127-V132 HydrophobicContact CG-CG2 3.93Å; Q130-V132 PolarHBondContact O-N 3.31Å; V132-I134 HydrophobicContact CG1-CG1 4.44Å
133Y87.5Confident82.6Confident120 Ų12085.4 Ų85.447%0.47141%0.407SS..EExtended strand (participates in β ladder)trans-108132.8178-62.1-84.6000110.7L69 R70 K71L69-Y133 CarbonylContact C-O 3.54Å; L69-Y133 VanDerWaalsContact CA-O 3.31Å; L69-Y133 WeakPolarHBondContact CA-O 3.26Å; R70-Y133 PolarHBondContact N-O 3.4Å; R70-Y133 PolarHBondContact O-N 3.38Å; K71-Y133 HydrophobicContact CB-CD2 4.47Å; K71-Y133 HydrophobicContact CG-CD2 4.08Å; K71-Y133 HydrophobicContact CG-CE2 4.29Å
134I90.4Very high82.2Confident12 Ų1282.6 Ų82.66%0.06239%0.394CS..EExtended strand (participates in β ladder)trans-116.9128.7-177.7-55.6170.1000108.6L67 H68 L69 M116 V117 Y120 P125 V132L67-I134 HydrophobicContact CB-CG2 4.2Å; L67-I134 HydrophobicContact CD1-CG2 4.22Å; H68-I134 WeakPolarHBondContact O-CA 3.31Å; L69-I134 HydrophobicContact CD2-CD1 4.5Å; L69-I134 HydrophobicContact CD2-CG1 4.23Å; L69-I134 HydrophobicContact CG-CG1 4.13Å; M116-I134 HydrophobicContact CE-CD1 4.08Å; V117-I134 HydrophobicContact CG2-CG2 4.23Å; Y120-I134 HydrophobicContact CD2-CD1 3.34Å; Y120-I134 HydrophobicContact CE2-CD1 3.93Å; Y120-I134 HydrophobicContact CG-CD1 3.66Å; P125-I134 HydrophobicContact CG-CD1 3.81Å; P125-I134 HydrophobicContact CG-CG1 4.44Å; V132-I134 HydrophobicContact CG1-CG1 4.44Å
135Q88.9Confident81.2Confident91 Ų9186.4 Ų86.443%0.42541%0.412SS..EExtended strand (participates in β ladder)trans-139.7163.4177.8-70.21783900109.9L67 H68 S137L67-Q135 CarbonylContact C-O 3.39Å; L67-Q135 WeakPolarHBondContact CA-O 3.37Å; H68-Q135 PolarHBondContact N-O 2.93Å; H68-Q135 PolarHBondContact O-N 3.45Å; Q135-S137 PolarHBondContact O-N 3.32Å
136Y89.6Confident80Confident30 Ų3092.8 Ų92.812%0.11845%0.446CS..EExtended strand (participates in β ladder)trans-62.9138.3168.3-62.6-69.5000110.6P60 C61 S64 L67 V114 V117P60-Y136 HydrophobicContact CB-CE2 4.42Å; C61-Y136 HydrophobicContact CB-CD2 4.31Å; C61-Y136 WeakPolarHBondContact O-CD2 3.39Å; S64-Y136 WeakPolarHBondContact O-CD1 3.02Å; L67-Y136 HydrophobicContact CD2-CD1 3.93Å; L67-Y136 HydrophobicContact CD2-CE1 4.27Å; V114-Y136 VanDerWaalsContact CA-OH 3.29Å; V114-Y136 WeakPolarHBondContact CA-OH 3.21Å; V114-Y136 HydrophobicContact CG2-CE1 4.28Å; V114-Y136 WeakPolarHBondContact CG2-OH 3.42Å; V117-Y136 HydrophobicContact CB-CE1 4.34Å; V117-Y136 HydrophobicContact CB-CE2 4.32Å; V117-Y136 HydrophobicContact CG1-CD2 4.4Å; V117-Y136 HydrophobicContact CG1-CE2 3.92Å; V117-Y136 HydrophobicContact CG2-CD1 4.17Å; V117-Y136 HydrophobicContact CG2-CE1 3.9Å; V117-Y136 HydrophobicContact CG2-CE2 4.44Å
137S85Confident79.3Confident12 Ų1290.4 Ų90.48%0.08444%0.437CS..  trans-73.9152.8168.5-174.10000110.1V66 Q135 H139V66-S137 WeakPolarHBondContact O-CB 3.46Å; V66-S137 PolarHBondContact O-N 2.52Å; Q135-S137 PolarHBondContact O-N 3.32Å; S137-H139 PolarHBondContact O-N 3.31Å; S137-H139 PolarHBondContact OG-N 2.89Å
138N83Confident78.5Confident162 Ų16295.9 Ų95.987%0.86647%0.473SS*.SBendtrans-73.5-9.7172.2-160.821.7000112.4
139H77.8Confident78.1Confident125 Ų12589 Ų8958%0.57945%0.449SS*.  trans-106142.8176.8-59.4-67.3000110.2S64 V66 S137S64-H139 PolarHBondContact OG-O 3.19Å; V66-H139 WeakPolarHBondContact CB-O 3.41Å; S137-H139 PolarHBondContact O-N 3.31Å; S137-H139 PolarHBondContact OG-N 2.89Å
140R77.4Confident78.1Confident163 Ų16385.2 Ų85.262%0.61542%0.418SS*.SBendtrans-84-18173.7-71.4-175.285.5-152.68.2113.6V66 E110V66-R140 WeakPolarHBondContact CG2-O 3.42Å; E110-R140 IonicContact OE2-NH2 3.37Å; E110-R140 PolarHBondContact OE2-NH2 3.33Å
141E79.9Confident78.1Confident158 Ų15884 Ų8474%0.73843%0.425SS*.SBendtrans-135.2140.4-179.8-63.9179.4119.200109.5
142L82.6Confident77.9Confident20 Ų2088.9 Ų88.911%0.10544%0.437CS..  trans-92.5109.9-178-170.558.8000110.6V66 N93 L95 F104 E106 T144V66-L142 HydrophobicContact CG1-CB 4.38Å; V66-L142 HydrophobicContact CG1-CD1 4.32Å; V66-L142 HydrophobicContact CG2-CB 4.28Å; N93-L142 HydrophobicContact CB-CB 4.3Å; N93-L142 HydrophobicContact CB-CD2 4.28Å; L95-L142 HydrophobicContact CB-CD1 3.96Å; L95-L142 HydrophobicContact CB-CD2 3.61Å; L95-L142 HydrophobicContact CB-CG 3.94Å; L95-L142 HydrophobicContact CD2-CD1 3.95Å; F104-L142 HydrophobicContact CB-CD1 3.37Å; F104-L142 HydrophobicContact CB-CD2 3.76Å; F104-L142 HydrophobicContact CB-CG 4.21Å; F104-L142 HydrophobicContact CD1-CD1 4.47Å; F104-L142 HydrophobicContact CD2-CD1 4.38Å; F104-L142 HydrophobicContact CG-CD1 3.86Å; E106-L142 HydrophobicContact CB-CB 4.36Å; E106-L142 WeakPolarHBondContact OE2-CB 3.41Å; E106-L142 PolarHBondContact OE2-N 3.27Å; L142-T144 HydrophobicContact CD2-CG2 4.23Å; L142-T144 HydrophobicContact CG-CG2 4.01Å; L142-T144 PolarHBondContact O-N 2.84Å
143K73.4Confident77.8Confident190 Ų19089 Ų8983%0.82644%0.437SS*.  trans-73.1112.4171.8-67.8-175.3178.9177.10109.5
144T70.3Confident77.7Confident21 Ų2187.1 Ų87.113%0.12943%0.433CS..  trans-105.3-1-179.352.20000113.1L95 L142 N146 Q150L95-T144 HydrophobicContact CB-CG2 4.4Å; L142-T144 HydrophobicContact CD2-CG2 4.23Å; L142-T144 HydrophobicContact CG-CG2 4.01Å; L142-T144 PolarHBondContact O-N 2.84Å; T144-N146 VanDerWaalsContact C-N 3.35Å; T144-N146 PolarHBondContact O-N 3.28Å; T144-Q150 PolarHBondContact O-NE2 3.34Å; T144-Q150 PolarHBondContact O-OE1 3.27Å; T144-Q150 VanDerWaalsContact O-OE1 3.09Å; T144-Q150 PolarHBondContact OG1-NE2 3.37Å
145D58.9Low77.5Confident128 Ų12889 Ų8968%0.68445%0.451SS*.THydrogen-bonded Turntrans-55.1-21.2-155.7-169.3-103.7000119.2
146N55.1Low77.5Confident145 Ų14585.7 Ų85.778%0.77544%0.439SS*.THydrogen-bonded Turntrans-153.947.1-170.3-110.2-82.9000114.1T144T144-N146 VanDerWaalsContact C-N 3.35Å; T144-N146 PolarHBondContact O-N 3.28Å
147L65.7Low77.4Confident74 Ų7485.3 Ų85.339%0.38744%0.438SS..  trans-125.2131.1175.8-152.666.2000110.9L95 N149 Q150L95-L147 HydrophobicContact CD1-CB 4.44Å; L95-L147 HydrophobicContact CD1-CD2 3.92Å; L147-N149 WeakPolarHBondContact CB-OD1 3.19Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.34Å; L147-N149 WeakPolarHBondContact CD2-OD1 3.27Å; L147-N149 WeakPolarHBondContact CG-OD1 3.42Å; L147-N149 PolarHBondContact O-N 2.86Å; L147-Q150 WeakPolarHBondContact O-CB 3.24Å; L147-Q150 PolarHBondContact O-N 3.31Å
148P66.3Low77.5Confident127 Ų12790.8 Ų90.883%0.82546%0.463SS*.THydrogen-bonded Turntrans-61.8-16-173.322.3-34000114.4
149N71.3Confident77.6Confident28 Ų2885.7 Ų85.715%0.1544%0.443CS..THydrogen-bonded Turntrans-84.6-8.8175.454.810.5000113.7M96 L147 A153M96-N149 PolarHBondContact O-ND2 3.42Å; L147-N149 WeakPolarHBondContact CB-OD1 3.19Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.34Å; L147-N149 WeakPolarHBondContact CD2-OD1 3.27Å; L147-N149 WeakPolarHBondContact CG-OD1 3.42Å; L147-N149 PolarHBondContact O-N 2.86Å; N149-A153 PolarHBondContact O-N 2.96Å
150Q80.1Confident77.9Confident36 Ų3681.5 Ų81.517%0.16843%0.426CS..Hα-helixtrans-64.6-40.3176.7-176.6-168.531.200111.9T144 L147 R152 A153 Q154T144-Q150 PolarHBondContact O-NE2 3.34Å; T144-Q150 PolarHBondContact O-OE1 3.27Å; T144-Q150 VanDerWaalsContact O-OE1 3.09Å; T144-Q150 PolarHBondContact OG1-NE2 3.37Å; L147-Q150 WeakPolarHBondContact O-CB 3.24Å; L147-Q150 PolarHBondContact O-N 3.31Å; Q150-R152 PolarHBondContact O-N 3.5Å; Q150-A153 WeakPolarHBondContact O-CB 3.44Å; Q150-A153 PolarHBondContact O-N 3.36Å; Q150-A153 VanDerWaalsContact O-N 3.08Å; Q150-Q154 HydrophobicContact CG-CG 4.14Å; Q150-Q154 PolarHBondContact O-N 2.82Å
151A82.3Confident78Confident70 Ų7075.9 Ų75.958%0.57941%0.412SS*.Hα-helixtrans-57.1-40.5-178.500000112A155A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3.03Å
152R83.4Confident78Confident154 Ų15471.3 Ų71.358%0.58140%0.401SS*.Hα-helixtrans-69.5-41.6177.2-166.2-176-71.3-169.4-0.2111.9E78 Q150 A155 A156E78-R152 VanDerWaalsContact CD-CD 3.44Å; E78-R152 WeakPolarHBondContact OE1-CD 3.16Å; E78-R152 WeakPolarHBondContact OE2-CD 3.49Å; Q150-R152 PolarHBondContact O-N 3.5Å; R152-A155 PolarHBondContact O-N 2.98Å; R152-A156 WeakPolarHBondContact O-CB 3.29Å; R152-A156 PolarHBondContact O-N 3.37Å
153A85Confident77.5Confident2 Ų276.4 Ų76.42%0.01743%0.433CS..Hα-helixtrans-61.2-45.8175.700000111.8E78 L94 N149 Q150 A156 L157E78-A153 HydrophobicContact CB-CB 4.49Å; E78-A153 HydrophobicContact CG-CB 4.01Å; L94-A153 HydrophobicContact CB-CB 4.29Å; L94-A153 HydrophobicContact CD2-CB 3.73Å; N149-A153 PolarHBondContact O-N 2.96Å; Q150-A153 WeakPolarHBondContact O-CB 3.44Å; Q150-A153 PolarHBondContact O-N 3.36Å; Q150-A153 VanDerWaalsContact O-N 3.08Å; A153-A156 PolarHBondContact O-N 2.92Å; A153-L157 VanDerWaalsContact O-CG 3.28Å; A153-L157 WeakPolarHBondContact O-CG 3.03Å; A153-L157 PolarHBondContact O-N 3.03Å
154Q85.1Confident77.2Confident81 Ų8173.7 Ų73.738%0.37942%0.423SS..Hα-helixtrans-63.7-42.5176.6-73-171.5-5.900112.1Q150 A156 L157 Q158Q150-Q154 HydrophobicContact CG-CG 4.14Å; Q150-Q154 PolarHBondContact O-N 2.82Å; Q154-A156 VanDerWaalsContact C-N 3.33Å; Q154-A156 PolarHBondContact O-N 3.43Å; Q154-L157 PolarHBondContact O-N 2.85Å; Q154-Q158 VanDerWaalsContact O-CG 3.31Å; Q154-Q158 WeakPolarHBondContact O-CG 3.42Å; Q154-Q158 PolarHBondContact O-N 3.49Å
155A87.4Confident76.6Confident53 Ų5378 Ų7844%0.43845%0.454SS..Hα-helixtrans-60.2-42.9175.200000111.9A151 R152 Q158 A159A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3.03Å; R152-A155 PolarHBondContact O-N 2.98Å; A155-Q158 PolarHBondContact O-N 3.38Å; A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.05Å
156A87.8Confident76.5Confident21 Ų2174.8 Ų74.817%0.17445%0.452CS..Hα-helixtrans-65-42176.800000112.2E78 I82 R152 A153 Q154 A159 V160E78-A156 HydrophobicContact CB-CB 4.24Å; I82-A156 HydrophobicContact CD1-CB 3.6Å; R152-A156 WeakPolarHBondContact O-CB 3.29Å; R152-A156 PolarHBondContact O-N 3.37Å; A153-A156 PolarHBondContact O-N 2.92Å; Q154-A156 VanDerWaalsContact C-N 3.33Å; Q154-A156 PolarHBondContact O-N 3.43Å; A156-A159 PolarHBondContact O-N 3.43Å; A156-V160 PolarHBondContact O-N 3.35Å
157L87.8Confident75.9Confident21 Ų2172.9 Ų72.911%0.1145%0.45CS..Hα-helixtrans-62.6-41.9175.9-71.6168.5000112.2I82 V91 L94 A153 Q154 V160 S161I82-L157 HydrophobicContact CD1-CD2 3.64Å; I82-L157 HydrophobicContact CD1-CG 3.8Å; I82-L157 HydrophobicContact CG1-CD2 3.75Å; I82-L157 HydrophobicContact CG1-CG 4.4Å; I82-L157 HydrophobicContact CG2-CD2 4.3Å; V91-L157 HydrophobicContact CB-CD2 3.89Å; V91-L157 HydrophobicContact CG1-CD2 3.54Å; L94-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CG 3.28Å; A153-L157 WeakPolarHBondContact O-CG 3.03Å; A153-L157 PolarHBondContact O-N 3.03Å; Q154-L157 PolarHBondContact O-N 2.85Å; L157-V160 WeakPolarHBondContact O-CG2 3.36Å; L157-S161 WeakPolarHBondContact O-CB 3.17Å; L157-S161 PolarHBondContact O-N 2.9Å; L157-S161 VanDerWaalsContact O-N 3.13Å; L157-S161 PolarHBondContact O-OG 2.84Å
158Q86.3Confident75.2Confident128 Ų12877.1 Ų77.160%0.59847%0.472SS*.Hα-helixtrans-62.9-46.1174.7-72.5174.613.100111Q154 A155 V160 S161 A162Q154-Q158 VanDerWaalsContact O-CG 3.31Å; Q154-Q158 WeakPolarHBondContact O-CG 3.42Å; Q154-Q158 PolarHBondContact O-N 3.49Å; A155-Q158 PolarHBondContact O-N 3.38Å; Q158-V160 PolarHBondContact O-N 3.5Å; Q158-S161 PolarHBondContact O-N 2.99Å; Q158-S161 PolarHBondContact O-OG 3.44Å; Q158-A162 PolarHBondContact O-N 2.89Å
159A86.6Confident74Confident55 Ų5575.4 Ų75.446%0.45547%0.468SS..Hα-helixtrans-58.6-46.1178.800000112.5A155 A156 S161 A162 V163A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.05Å; A156-A159 PolarHBondContact O-N 3.43Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 3.07Å; A159-A162 PolarHBondContact O-N 2.92Å; A159-V163 WeakPolarHBondContact O-CG2 3.47Å; A159-V163 PolarHBondContact O-N 3.03Å; A159-V163 VanDerWaalsContact O-N 3.15Å
160V83.4Confident72.9Confident36 Ų3681.8 Ų81.822%0.21850%0.502CS..Hα-helixtrans-66.5-35.1178.2-62.10000112.4I82 A156 L157 Q158 V163 Q164I82-V160 HydrophobicContact CG2-CB 4.46Å; I82-V160 HydrophobicContact CG2-CG1 4Å; I82-V160 HydrophobicContact CG2-CG2 3.86Å; A156-V160 PolarHBondContact O-N 3.35Å; L157-V160 WeakPolarHBondContact O-CG2 3.36Å; Q158-V160 PolarHBondContact O-N 3.5Å; V160-V163 PolarHBondContact O-N 3.11Å; V160-Q164 PolarHBondContact O-N 2.7Å
161S80.5Confident71.3Confident46 Ų4686.2 Ų86.232%0.32254%0.536SS..Hα-helixtrans-68.6-36.2177.271.40000112.1L157 Q158 A159 Q164 S165L157-S161 WeakPolarHBondContact O-CB 3.17Å; L157-S161 PolarHBondContact O-N 2.9Å; L157-S161 VanDerWaalsContact O-N 3.13Å; L157-S161 PolarHBondContact O-OG 2.84Å; Q158-S161 PolarHBondContact O-N 2.99Å; Q158-S161 PolarHBondContact O-OG 3.44Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 3.07Å; S161-Q164 PolarHBondContact O-N 2.64Å; S161-S165 PolarHBondContact O-N 3.47Å
162A79.3Confident69.5Low62 Ų6286 Ų8651%0.51254%0.541SS..Hα-helixtrans-66.2-38.517600000112.3Q158 A159 Q164Q158-A162 PolarHBondContact O-N 2.89Å; A159-A162 PolarHBondContact O-N 2.92Å; A162-Q164 VanDerWaalsContact C-N 3.34Å; A162-Q164 PolarHBondContact O-N 2.85Å
163V72.5Confident67.6Low126 Ų12681.3 Ų81.376%0.76454%0.541SS*.Hα-helixtrans-67.9-33.3178.3173.70000112.1A159 V160A159-V163 WeakPolarHBondContact O-CG2 3.47Å; A159-V163 PolarHBondContact O-N 3.03Å; A159-V163 VanDerWaalsContact O-N 3.15Å; V160-V163 PolarHBondContact O-N 3.11Å
164Q65.4Low65.8Low133 Ų13387.4 Ų87.462%0.62158%0.58SS**Hα-helixtrans-83.7-21.9-173.8-151.4155.882.100113.7V160 S161 A162V160-Q164 PolarHBondContact O-N 2.7Å; S161-Q164 PolarHBondContact O-N 2.64Å; A162-Q164 VanDerWaalsContact C-N 3.34Å; A162-Q164 PolarHBondContact O-N 2.85Å
165S58.1Low63.9Low111 Ų11189.1 Ų89.178%0.77660%0.601SS**SBendtrans-92.7-2.7177.2-67.70000114.5S161S161-S165 PolarHBondContact O-N 3.47Å
166G58.3Low62.2Low62 Ų6293.8 Ų93.864%0.63962%0.619SS**  trans71.897175.400000113.9
167S42.5Very low60.7Low105 Ų105102.3 Ų102.373%0.73466%0.655SS**  trans-165.3134.2149.6-165.40000111.9A169S167-A169 PolarHBondContact O-N 3.2Å; S167-A169 VanDerWaalsContact O-N 3.15Å
168L49.1Very low59Low163 Ų163104.7 Ų104.785%0.85369%0.685SS**  trans-56107.5159.4-72.9137.4000108.9
169A42.9Very low57.2Low90 Ų90105.4 Ų105.474%0.74470%0.698SS**  trans-126.584.1158.900000107.9S167 S171S167-A169 PolarHBondContact O-N 3.2Å; S167-A169 VanDerWaalsContact O-N 3.15Å; A169-S171 PolarHBondContact O-N 3.45Å
170L47.4Very low56Low163 Ų163108.7 Ų108.785%0.85371%0.712SS**  trans-49.8106.1154-67.1158000106.7G172L170-G172 PolarHBondContact O-N 3.08Å
171S46.1Very low53.8Low128 Ų128113.9 Ų113.990%0.89574%0.738SS**  trans-75.382.8163.2-170.50000106.8A169A169-S171 PolarHBondContact O-N 3.45Å
172G43.8Very low53.3Low65 Ų65120.8 Ų120.867%0.6778%0.782SS**  trans-69.8125.7161.600000109.6L170L170-G172 PolarHBondContact O-N 3.08Å
173G45.4Very low52Low57 Ų57123.8 Ų123.859%0.58880%0.795SS**  trans68.6130.4140.800000119.5
174P46.3Very low51Low129 Ų129123.6 Ų123.684%0.83880%0.797SS**  -80.193.9127.731.2-24000107.9N176P174-N176 PolarHBondContact O-N 3.32Å
175S44.3Very low50.2Low118 Ų118123.1 Ų123.183%0.82581%0.807SS**  trans-67.5111161.9-61.70000107.7E177S175-E177 PolarHBondContact O-N 3.14Å
176N53Low49.7Very low151 Ų151123.8 Ų123.881%0.80781%0.808SS**  trans-90.584.9174.753.6-11.6000109.6P174P174-N176 PolarHBondContact O-N 3.32Å
177E55Low49.2Very low200 Ų200127.7 Ų127.794%0.93582%0.819SS**  trans-150.8131.8160.7-110.3-158.794.400111.5S175S175-E177 PolarHBondContact O-N 3.14Å
178G53.3Low49.6Very low71 Ų71129.2 Ų129.273%0.73283%0.825SS**  trans157.661.7173.700000114.2
179T47.8Very low49.6Very low142 Ų142126.8 Ų126.887%0.87182%0.823SS**  trans-147.598.8153.7-58.80000109.6
180V61.6Low50.2Low124 Ų124129.6 Ų129.675%0.75283%0.829SS**  trans-136120.6164.3163.70000107.1
181L38.1Very low50.4Low145 Ų145126.8 Ų126.876%0.75983%0.827SS**  trans80.5155.9155.7-67.8171.8000118.4
182P69.8Low50.8Low192 Ų192126.7 Ų126.7100%1.24782%0.82SS**  cis-94.1023.337.1-35.3000117.6

Retrieved 182 of 182 residues in 155.9 ms (Link to these results)