A0A077Z1L4_TRITR Loading...

Integral membrane protein 2

AlphaFold DB , UniProt , Accession A0A077Z1L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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
1M34.3Very low32.2Very low234 Ų234149.3 Ų149.3100%1.15384%0.843SS**  0940-165171.6-170.300106.8
2T30.2Very low32.2Very low145 Ų145152.5 Ų152.589%0.8984%0.841SS**  trans-101110.8-17012.20000108.8
3I30.4Very low32.2Very low149 Ų149155.8 Ų155.876%0.76485%0.846SS**  trans-97.8120.3174.1-60.6172.2000107.3
4P38.5Very low32Very low119 Ų119150.6 Ų150.677%0.77385%0.847SS**  trans-81.6128.1-174.730.6-32000112
5T34.2Very low31.9Very low140 Ų140154.5 Ų154.586%0.85985%0.851SS**  trans-89104.7171.137.70000110.3
6K30.7Very low31.5Very low188 Ų188149.4 Ų149.482%0.81785%0.846SS**  trans-145.4106.3155.9-83.3-152.9177.9-176.40110
7L33.1Very low31.5Very low175 Ų175153 Ų15392%0.91685%0.85SS**  trans-126.591.6159-93.9150.8000107.3S9L7-S9 PolarHBondContact O-N 3.42Å
8N34.4Very low31.1Very low148 Ų148148 Ų14879%0.79184%0.839SS**  trans-70.2111.4162-86.6-10.1000107.6
9S31.8Very low31Very low127 Ų127149.2 Ų149.289%0.88884%0.842SS**  trans-91.697.2166.2530000109.1L7L7-S9 PolarHBondContact O-N 3.42Å
10S27.1Very low30.6Very low102 Ų102149.4 Ų149.471%0.71384%0.841SS**  trans-124.6128.8157.1174.90000107
11T29.3Very low30.6Very low115 Ų115148.8 Ų148.871%0.70685%0.845SS**  143108.3127.4-520000112.3
12K32.2Very low30.1Very low188 Ų188142.8 Ų142.882%0.81783%0.826SS**  trans48.9110.3139.7-64.1-175.8173.2-177.10120.7
13E31.9Very low29.8Very low195 Ų195140.3 Ų140.391%0.91182%0.82SS**  24.1103.4123.8-71.1-176.413300117.5
14G29.7Very low29.6Very low84 Ų84142.1 Ų142.187%0.86683%0.826SS**  trans-71.213016800000112.3
15K30.5Very low29Very low208 Ų208144.6 Ų144.690%0.90483%0.827SS**  trans-105.5104.8159.1-162168-173.5170.20107.2
16G25.3Very low28.7Very low74 Ų74144.5 Ų144.576%0.76382%0.821SS**  trans-67.6136.1177.800000112.1
17K31.3Very low28.6Very low210 Ų210140.9 Ų140.991%0.91383%0.826SS**  trans-155.2129148-119.8175.3179.6179.70106.9
18G24.5Very low28.4Very low63 Ų63141.4 Ų141.465%0.64982%0.824SS**  trans-62.7167-170.900000113.7
19N29.7Very low28.3Very low170 Ų170141.6 Ų141.691%0.90983%0.825SS**  -167.5145.3119.5-85.8-18.5000109.9
20N23.9Very low28.4Very low154 Ų154139.7 Ų139.782%0.82481%0.812SS**  trans-44.3141.9171.6-74.4-22.8000113.7
21C28.8Very low28.9Very low136 Ų136143.7 Ų143.792%0.91982%0.819SS**  trans-152.791.8132.6-105.60000107.9
22S24.3Very low29.5Very low109 Ų109144.1 Ų144.176%0.76282%0.822SS**  trans-70.1141.7156.247.80000110
23A25Very low30Very low92 Ų92142.9 Ų142.976%0.7682%0.816SS**  trans131.6101.7142.600000112.2
24Q25.3Very low30.3Very low188 Ų188140.8 Ų140.888%0.87981%0.806SS**  -163113.2129.6-145.5152.9-64.100108.4
25Q26Very low30.7Very low171 Ų171139.6 Ų139.680%0.79979%0.794SS**SBendtrans-175.7117.1136.3-99.6166.6-36.500110.3
26D28.9Very low31.1Very low137 Ų137136.6 Ų136.673%0.73379%0.787SS**  trans77.875.5135.4-47.2-19.3000117.6E28D26-E28 PolarHBondContact O-N 2.71Å
27A28.5Very low31.6Very low112 Ų112142.7 Ų142.793%0.92679%0.789SS**  trans-7985.9155.600000109.9
28E28.8Very low32Very low186 Ų186141.6 Ų141.687%0.86978%0.784SS**  trans-144.162.8164.8-161.2174.1133.300110.4D26D26-E28 PolarHBondContact O-N 2.71Å
29N30.8Very low32.8Very low152 Ų152147.2 Ų147.281%0.81379%0.79SS**SBendtrans-16857.2156.1-133.94.5000112.9
30S34Very low33.2Very low88 Ų88142.4 Ų142.462%0.61577%0.774SS**  trans-122.7-9.4176.3-169.20000114.8V32 K33S30-V32 PolarHBondContact O-N 2.85Å; S30-K33 PolarHBondContact O-N 3.17Å
31E38.3Very low33.6Very low186 Ų186138.5 Ų138.587%0.86977%0.771SS**THydrogen-bonded Turntrans-75.7-13.3-177.4-144.4172.5156.100113.2
32V41.7Very low33.7Very low124 Ų124140.4 Ų140.475%0.75277%0.766SS**THydrogen-bonded Turntrans-83.5-12.8177-174.60000112.7S30S30-V32 PolarHBondContact O-N 2.85Å
33K42Very low34.2Very low161 Ų161144.8 Ų144.870%0.777%0.767SS**THydrogen-bonded Turntrans-96.1-18.9-177.7-77.4-172.4177.51780115.3S30S30-K33 PolarHBondContact O-N 3.17Å
34E40Very low34.6Very low151 Ų151149.4 Ų149.471%0.70677%0.773SS**Hα-helixtrans-79.6-21.3178.4-70-153.1149.900113.7L36E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 2.83Å
35G37.3Very low35Very low60 Ų60145.9 Ų145.962%0.61978%0.776SS**Hα-helixtrans-68.7-21176.900000114.5
36L38.2Very low35.2Very low145 Ų145141.3 Ų141.376%0.75978%0.775SS**Hα-helixtrans-93.9-22.9-174.7-144.476.4000113.7E34E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 PolarHBondContact O-N 2.83Å
37Y36.7Very low35.2Very low201 Ų201138.1 Ų138.179%0.78878%0.775SS**Hα-helixtrans-82.6-23.1178.3-89.1-83.6000113.6K39Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 2.87Å
38K39.9Very low35.2Very low187 Ų187139 Ų13981%0.81377%0.769SS**G310 helixtrans-75.7-15.2176.8-80.6-172.7178175.50114.6
39K41.2Very low35.2Very low181 Ų181137.8 Ų137.879%0.78776%0.762SS**G310 helixtrans-90.6-0.8179.9-126.6-179.8-176.2177.40114.9Y37Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 2.87Å
40A38.3Very low35.5Very low69 Ų69139 Ų13957%0.5776%0.763SS**G310 helixtrans-100.6-3.7179.900000114.1
41G31.7Very low35.5Very low73 Ų73144.1 Ų144.175%0.75378%0.777SS**SBendtrans-89.52.2-172.700000116.4
42E30.1Very low35.5Very low175 Ų175138.6 Ų138.682%0.81877%0.77SS**  trans-129.968.3-170.3-148160.5176.200110.3
43Y34.8Very low35.7Very low201 Ų201138.2 Ų138.279%0.78877%0.773SS**  trans-124.6105.6166.9-63.8-73.7000107.6
44E34Very low35.9Very low190 Ų190142 Ų14289%0.88878%0.783SS**  trans-59.9148.4-174.9-67.8-166.7138.500113G46E44-G46 VanDerWaalsContact C-N 3.3Å; E44-G46 PolarHBondContact O-N 3.32Å
45A33.5Very low36.8Very low113 Ų113139 Ų13993%0.93477%0.771SS**  trans-64.781.1178.400000111.9
46G30.1Very low37.9Very low75 Ų75140.2 Ų140.277%0.77377%0.769SS**  trans-106.582.5163.700000109.6E44E44-G46 VanDerWaalsContact C-N 3.3Å; E44-G46 PolarHBondContact O-N 3.32Å
47G28.2Very low39.1Very low71 Ų71139.3 Ų139.373%0.73276%0.763SS**  trans-74.6134.4169.100000110.4
48V28.4Very low40.4Very low131 Ų131137 Ų13779%0.79476%0.759SS**  trans176.6123.1142.3143.80000109.1
49H30.7Very low41.8Very low159 Ų159131.8 Ų131.874%0.73674%0.74SS**  trans70108154.1-82.1-97.7000121.6
50E35.5Very low43.3Very low179 Ų179129.1 Ų129.184%0.83673%0.73SS**  23.196.6129.7-82.5-178.6126.300117.4
51E34Very low45Very low195 Ų195134 Ų13491%0.91173%0.734SS**  trans-147.6135.4143.6-121.2-175.1168.100109.5S53E51-S53 PolarHBondContact O-N 2.94Å
52G39.4Very low47.2Very low70 Ų70136.8 Ų136.872%0.72272%0.722SS**  trans-46.6130.1-163.600000114.5R54G52-R54 PolarHBondContact O-N 3.22Å
53S44.9Very low49.6Very low116 Ų116131.6 Ų131.681%0.81170%0.699SS**  trans-59.674.1175.956.70000112.3E51 L55E51-S53 PolarHBondContact O-N 2.94Å; S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.9Å
54R47.2Very low51.7Low240 Ų240124 Ų12491%0.90668%0.679SS**  trans-76.293.6159.2-86.7-178.5166.8151.8-2.4106.6G52G52-R54 PolarHBondContact O-N 3.22Å
55L58.1Low54Low88 Ų88121.8 Ų121.846%0.46166%0.662SS.*  trans-49.3135.3166.7-112.785.7000108.6S53 I57 L59S53-L55 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.9Å; L55-I57 PolarHBondContact O-N 3.18Å; L55-L59 HydrophobicContact CD2-CD2 3.66Å; L55-L59 HydrophobicContact CD2-CG 4.19Å; L55-L59 HydrophobicContact CG-CD2 4.36Å
56P60.2Low56.5Low86 Ų86121 Ų12156%0.55864%0.639SS**  trans-61.3132.3-178.523.9-32.3000109.7H58 L59P56-H58 PolarHBondContact O-N 3.45Å; P56-L59 HydrophobicContact CG-CB 4.3Å; P56-L59 PolarHBondContact O-N 3.45Å
57I63.7Low59.1Low126 Ų126126.3 Ų126.365%0.64664%0.636SS**Hα-helixtrans-48.9-26.9-175.6-60.1162.2000112.7L55 R61L55-I57 PolarHBondContact O-N 3.18Å; I57-R61 WeakPolarHBondContact O-CG 3.39Å; I57-R61 PolarHBondContact O-N 2.95Å
58H64.2Low62Low153 Ų153128.8 Ų128.871%0.70863%0.628SS**Hα-helixtrans-68.5-36.9175.8-101.7-83.6000114.4P56 R61 Y62P56-H58 PolarHBondContact O-N 3.45Å; H58-R61 PolarHBondContact O-N 3.36Å; H58-Y62 WeakPolarHBondContact O-CB 3.34Å; H58-Y62 PolarHBondContact O-N 3.45Å
59L70Confident64.9Low76 Ų76129.2 Ų129.240%0.39862%0.615SS.*Hα-helixtrans-74-40-179.2-173.560.2000111L55 P56 R61 Y62 I63L55-L59 HydrophobicContact CD2-CD2 3.66Å; L55-L59 HydrophobicContact CD2-CG 4.19Å; L55-L59 HydrophobicContact CG-CD2 4.36Å; P56-L59 HydrophobicContact CG-CB 4.3Å; P56-L59 PolarHBondContact O-N 3.45Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.46Å; L59-Y62 PolarHBondContact O-N 3.44Å; L59-I63 HydrophobicContact CD1-CD1 4.36Å; L59-I63 HydrophobicContact CD1-CG1 4.46Å; L59-I63 HydrophobicContact CG-CD1 4.03Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.96Å
60E71.8Confident67.8Low126 Ų126125.3 Ų125.359%0.58960%0.603SS**Hα-helixtrans-54-49169.4-78.7-96.2142.900111.2Y62 I63 A64E60-Y62 PolarHBondContact O-N 3.32Å; E60-I63 PolarHBondContact O-N 3.1Å; E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.36Å; E60-A64 PolarHBondContact O-N 2.93Å
61R74.8Confident70.5Confident172 Ų172122.2 Ų122.265%0.64959%0.591SS**Hα-helixtrans-62.9-39.1176.1-75.2-179.9-179.1-172.20.8112.7I57 H58 L59 W65I57-R61 WeakPolarHBondContact O-CG 3.39Å; I57-R61 PolarHBondContact O-N 2.95Å; H58-R61 PolarHBondContact O-N 3.36Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.46Å; R61-W65 VanDerWaalsContact O-CB 3.3Å; R61-W65 WeakPolarHBondContact O-CB 3.46Å; R61-W65 PolarHBondContact O-N 3.45Å
62Y78.5Confident73.2Confident131 Ų131116.6 Ų116.651%0.51457%0.571SS.*Hα-helixtrans-66.4-45.6178.3-179.2-98.6000112.1H58 L59 E60 W65 Q66H58-Y62 WeakPolarHBondContact O-CB 3.34Å; H58-Y62 PolarHBondContact O-N 3.45Å; L59-Y62 PolarHBondContact O-N 3.44Å; E60-Y62 PolarHBondContact O-N 3.32Å; Y62-W65 PolarHBondContact O-N 2.9Å; Y62-Q66 VanDerWaalsContact CE1-OE1 3.3Å; Y62-Q66 WeakPolarHBondContact O-CB 3.46Å; Y62-Q66 PolarHBondContact O-N 3.3Å
63I79.8Confident75.8Confident65 Ų65117.5 Ų117.533%0.33356%0.558SS.*Hα-helixtrans-64.9-42.3177.3-64.8166.3000110.4L59 E60 Q66 R67L59-I63 HydrophobicContact CD1-CD1 4.36Å; L59-I63 HydrophobicContact CD1-CG1 4.46Å; L59-I63 HydrophobicContact CG-CD1 4.03Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.96Å; E60-I63 PolarHBondContact O-N 3.1Å; I63-Q66 PolarHBondContact O-N 3.34Å; I63-R67 WeakPolarHBondContact O-CG 3.3Å; I63-R67 PolarHBondContact O-N 2.91Å
64A79Confident78.1Confident43 Ų43116.9 Ų116.936%0.35555%0.545SS..Hα-helixtrans-59.9-46.6174.300000111.4E60 Q66 R67 H68E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.36Å; E60-A64 PolarHBondContact O-N 2.93Å; A64-Q66 PolarHBondContact O-N 2.9Å; A64-R67 PolarHBondContact O-N 3.37Å; A64-H68 PolarHBondContact O-CD2 3.37Å; A64-H68 PolarHBondContact O-N 3.43Å
65W82.2Confident80.4Confident142 Ų142109 Ų10954%0.53853%0.526SS..Hα-helixtrans-61.3-42176.9-177.783.1000112.7R61 Y62 H68 R69R61-W65 VanDerWaalsContact O-CB 3.3Å; R61-W65 WeakPolarHBondContact O-CB 3.46Å; R61-W65 PolarHBondContact O-N 3.45Å; Y62-W65 PolarHBondContact O-N 2.9Å; W65-H68 PolarHBondContact O-N 2.95Å; W65-R69 VanDerWaalsContact CH2-NH1 3.32Å; W65-R69 WeakPolarHBondContact O-CB 3.27Å; W65-R69 PolarHBondContact O-N 3.08Å
66Q86Confident82.1Confident96 Ų96110.5 Ų110.545%0.44953%0.532SS..Hα-helixtrans-66-40.8177.8-170.8170.4-3400111.8Y62 I63 A64 R69 V70Y62-Q66 VanDerWaalsContact CE1-OE1 3.3Å; Y62-Q66 WeakPolarHBondContact O-CB 3.46Å; Y62-Q66 PolarHBondContact O-N 3.3Å; I63-Q66 PolarHBondContact O-N 3.34Å; A64-Q66 PolarHBondContact O-N 2.9Å; Q66-R69 PolarHBondContact O-N 3.32Å; Q66-V70 VanDerWaalsContact O-CG2 3.3Å; Q66-V70 WeakPolarHBondContact O-CG2 3.3Å; Q66-V70 PolarHBondContact O-N 3Å
67R85.5Confident83.8Confident187 Ų187109.5 Ų109.571%0.70652%0.524SS*.Hα-helixtrans-62.3-44.8173.4-73.4177.7-177.7-178.32.5111.6I63 A64 V70 L71I63-R67 WeakPolarHBondContact O-CG 3.3Å; I63-R67 PolarHBondContact O-N 2.91Å; A64-R67 PolarHBondContact O-N 3.37Å; R67-V70 PolarHBondContact O-N 2.85Å; R67-L71 VanDerWaalsContact O-CB 3.27Å; R67-L71 WeakPolarHBondContact O-CB 3.35Å; R67-L71 PolarHBondContact O-N 3.49Å
68H87.2Confident85.3Confident123 Ų123106.4 Ų106.457%0.56952%0.517SS*.Hα-helixtrans-62-43.5175.9-80.5-66.2000112A64 W65 L71 T72A64-H68 PolarHBondContact O-CD2 3.37Å; A64-H68 PolarHBondContact O-N 3.43Å; W65-H68 PolarHBondContact O-N 2.95Å; H68-L71 PolarHBondContact O-N 3.29Å; H68-T72 WeakPolarHBondContact O-CB 3.28Å; H68-T72 VanDerWaalsContact O-CG2 3.28Å; H68-T72 WeakPolarHBondContact O-CG2 3.41Å; H68-T72 PolarHBondContact O-N 2.9Å; H68-T72 PolarHBondContact O-OG1 2.93Å; H68-T72 VanDerWaalsContact O-OG1 3.08Å
69R89.4Confident86.9Confident140 Ų140103.9 Ų103.953%0.52851%0.507SS..Hα-helixtrans-64.7-41.5178.3-172.8176179.2-175.70.8112.6W65 Q66 T72 I73W65-R69 VanDerWaalsContact CH2-NH1 3.32Å; W65-R69 WeakPolarHBondContact O-CB 3.27Å; W65-R69 PolarHBondContact O-N 3.08Å; Q66-R69 PolarHBondContact O-N 3.32Å; R69-T72 WeakPolarHBondContact CA-OG1 3.26Å; R69-T72 PolarHBondContact O-OG1 3.01Å; R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CB 3.32Å; R69-I73 WeakPolarHBondContact O-CD1 3.42Å; R69-I73 WeakPolarHBondContact O-CG1 3.31Å; R69-I73 PolarHBondContact O-N 3.49Å
70V91.6Very high88.1Confident78 Ų78104.6 Ų104.647%0.47351%0.511SS..Hα-helixtrans-66.7-44.1176.2173.30000110.3Q66 R67 T72 I73 L74Q66-V70 VanDerWaalsContact O-CG2 3.3Å; Q66-V70 WeakPolarHBondContact O-CG2 3.3Å; Q66-V70 PolarHBondContact O-N 3Å; R67-V70 PolarHBondContact O-N 2.85Å; V70-T72 PolarHBondContact O-N 2.86Å; V70-I73 PolarHBondContact O-N 3.35Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.4Å; V70-L74 WeakPolarHBondContact O-CB 3.37Å; V70-L74 WeakPolarHBondContact O-CG 3.19Å; V70-L74 PolarHBondContact O-N 2.86Å
71L92.3Very high89.3Confident113 Ų113102.7 Ų102.759%0.59251%0.507SS*.Hα-helixtrans-63.1-42.2178.2-176.765.1000112.2R67 H68 L74 C75R67-L71 VanDerWaalsContact O-CB 3.27Å; R67-L71 WeakPolarHBondContact O-CB 3.35Å; R67-L71 PolarHBondContact O-N 3.49Å; H68-L71 PolarHBondContact O-N 3.29Å; L71-L74 PolarHBondContact O-N 3.38Å; L71-C75 WeakPolarHBondContact O-CB 3.46Å; L71-C75 PolarHBondContact O-N 2.93Å
72T91.3Very high90.4Very high78 Ų78102.6 Ų102.648%0.47951%0.507SS..Hα-helixtrans-66.3-41.8176.854.70000111.3H68 R69 V70 L74 C75 M76H68-T72 WeakPolarHBondContact O-CB 3.28Å; H68-T72 VanDerWaalsContact O-CG2 3.28Å; H68-T72 WeakPolarHBondContact O-CG2 3.41Å; H68-T72 PolarHBondContact O-N 2.9Å; H68-T72 PolarHBondContact O-OG1 2.93Å; H68-T72 VanDerWaalsContact O-OG1 3.08Å; R69-T72 WeakPolarHBondContact CA-OG1 3.26Å; R69-T72 PolarHBondContact O-OG1 3.01Å; V70-T72 PolarHBondContact O-N 2.86Å; T72-L74 PolarHBondContact O-N 3.34Å; T72-C75 PolarHBondContact O-N 3.05Å; T72-M76 WeakPolarHBondContact O-CB 3.5Å; T72-M76 WeakPolarHBondContact O-CG 3.4Å; T72-M76 PolarHBondContact O-N 3.37Å
73I93.2Very high91.3Very high88 Ų88101.2 Ų101.245%0.45151%0.508SS..Hα-helixtrans-62.3-43.4175.2-68.5166.1000111.1R69 V70 C75 M76 T77R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CB 3.32Å; R69-I73 WeakPolarHBondContact O-CD1 3.42Å; R69-I73 WeakPolarHBondContact O-CG1 3.31Å; R69-I73 PolarHBondContact O-N 3.49Å; V70-I73 PolarHBondContact O-N 3.35Å; I73-C75 PolarHBondContact O-N 3.29Å; I73-M76 PolarHBondContact O-N 3.41Å; I73-T77 HydrophobicContact CG2-CG2 4.3Å; I73-T77 WeakPolarHBondContact O-CB 3.47Å; I73-T77 VanDerWaalsContact O-CG2 3.31Å; I73-T77 WeakPolarHBondContact O-CG2 3.39Å; I73-T77 PolarHBondContact O-N 2.91Å; I73-T77 PolarHBondContact O-OG1 2.83Å
74L94.3Very high92.2Very high104 Ų104103 Ų10355%0.54552%0.518SS..Hα-helixtrans-62.6-41.7175.9-72.7174.6000111.9V70 L71 T72 T77 A78V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.4Å; V70-L74 WeakPolarHBondContact O-CB 3.37Å; V70-L74 WeakPolarHBondContact O-CG 3.19Å; V70-L74 PolarHBondContact O-N 2.86Å; L71-L74 PolarHBondContact O-N 3.38Å; T72-L74 PolarHBondContact O-N 3.34Å; L74-T77 WeakPolarHBondContact CA-OG1 3.45Å; L74-T77 PolarHBondContact O-OG1 3.49Å; L74-A78 VanDerWaalsContact O-CB 3.26Å; L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 2.84Å
75C94.4Very high93Very high75 Ų75106 Ų10651%0.50753%0.526SS..Hα-helixtrans-65-44.9176-169.60000111.8L71 T72 I73 A78 M79L71-C75 WeakPolarHBondContact O-CB 3.46Å; L71-C75 PolarHBondContact O-N 2.93Å; T72-C75 PolarHBondContact O-N 3.05Å; I73-C75 PolarHBondContact O-N 3.29Å; C75-A78 PolarHBondContact O-N 2.88Å; C75-M79 VanDerWaalsContact O-CG 3.31Å; C75-M79 WeakPolarHBondContact O-CG 3.31Å; C75-M79 PolarHBondContact O-N 2.92Å
76M95.4Very high93.8Very high118 Ų118101.7 Ų101.758%0.58152%0.52SS*.Hα-helixtrans-65-43178.4-69.2-59-68.800111.9T72 I73 M79 I80T72-M76 WeakPolarHBondContact O-CB 3.5Å; T72-M76 WeakPolarHBondContact O-CG 3.4Å; T72-M76 PolarHBondContact O-N 3.37Å; I73-M76 PolarHBondContact O-N 3.41Å; M76-M79 PolarHBondContact O-N 3.49Å; M76-I80 WeakPolarHBondContact O-CD1 3.17Å; M76-I80 VanDerWaalsContact O-CG1 3.24Å; M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 2.97Å
77T94.9Very high94.3Very high66 Ų66100.5 Ų100.541%0.40552%0.522SS..Hα-helixtrans-66.3-40176.251.30000111.7I73 L74 M79 I80 V81I73-T77 HydrophobicContact CG2-CG2 4.3Å; I73-T77 WeakPolarHBondContact O-CB 3.47Å; I73-T77 VanDerWaalsContact O-CG2 3.31Å; I73-T77 WeakPolarHBondContact O-CG2 3.39Å; I73-T77 PolarHBondContact O-N 2.91Å; I73-T77 PolarHBondContact O-OG1 2.83Å; L74-T77 WeakPolarHBondContact CA-OG1 3.45Å; L74-T77 PolarHBondContact O-OG1 3.49Å; T77-M79 PolarHBondContact O-N 3.32Å; T77-I80 PolarHBondContact O-N 3.41Å; T77-V81 WeakPolarHBondContact O-CB 3.28Å; T77-V81 VanDerWaalsContact O-CG2 3.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.5Å; T77-V81 PolarHBondContact O-N 3.37Å
78A95.9Very high94.9Very high60 Ų6095.7 Ų95.750%0.49651%0.51SS..Hα-helixtrans-61.4-42.4173.500000112.3L74 C75 V81 W82L74-A78 VanDerWaalsContact O-CB 3.26Å; L74-A78 WeakPolarHBondContact O-CB 3.35Å; L74-A78 PolarHBondContact O-N 2.84Å; C75-A78 PolarHBondContact O-N 2.88Å; A78-V81 PolarHBondContact O-N 3.3Å; A78-W82 WeakPolarHBondContact O-CB 3.48Å; A78-W82 PolarHBondContact O-N 3.33Å
79M96.6Very high95.4Very high101 Ų10193.7 Ų93.750%0.49851%0.506SS..Hα-helixtrans-63.2-42.7174.9-73.3-62.9-66.700112C75 M76 T77 W82 L83C75-M79 VanDerWaalsContact O-CG 3.31Å; C75-M79 WeakPolarHBondContact O-CG 3.31Å; C75-M79 PolarHBondContact O-N 2.92Å; M76-M79 PolarHBondContact O-N 3.49Å; T77-M79 PolarHBondContact O-N 3.32Å; M79-W82 PolarHBondContact O-N 3.34Å; M79-L83 WeakPolarHBondContact O-CG 3.24Å; M79-L83 PolarHBondContact O-N 2.94Å
80I96.9Very high95.7Very high91 Ų9188.9 Ų88.947%0.46750%0.5SS..Hα-helixtrans-63.5-46.5176.4-68.6163.4000110.6M76 T77 W82 L83 L84M76-I80 WeakPolarHBondContact O-CD1 3.17Å; M76-I80 VanDerWaalsContact O-CG1 3.24Å; M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 2.97Å; T77-I80 PolarHBondContact O-N 3.41Å; I80-W82 VanDerWaalsContact C-N 3.27Å; I80-W82 PolarHBondContact O-N 2.9Å; I80-L83 PolarHBondContact O-N 3.34Å; I80-L84 HydrophobicContact CG2-CD1 4.04Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 2.89Å
81V97Very high95.9Very high85 Ų8589 Ų8952%0.51550%0.501SS..Hα-helixtrans-59.5-41.3176.9170.60000110.6T77 A78 L84 M85T77-V81 WeakPolarHBondContact O-CB 3.28Å; T77-V81 VanDerWaalsContact O-CG2 3.28Å; T77-V81 WeakPolarHBondContact O-CG2 3.5Å; T77-V81 PolarHBondContact O-N 3.37Å; A78-V81 PolarHBondContact O-N 3.3Å; V81-L84 PolarHBondContact O-N 3.36Å; V81-M85 HydrophobicContact CG1-CG 4.38Å; V81-M85 WeakPolarHBondContact O-CB 3.41Å; V81-M85 VanDerWaalsContact O-CG 3.27Å; V81-M85 WeakPolarHBondContact O-CG 3.37Å; V81-M85 PolarHBondContact O-N 3.22Å
82W97.3Very high96.1Very high170 Ų17088.3 Ų88.364%0.64450%0.497SS*.Hα-helixtrans-63.7-42.8177-170.376.4000112.6A78 M79 I80 M85 A86A78-W82 WeakPolarHBondContact O-CB 3.48Å; A78-W82 PolarHBondContact O-N 3.33Å; M79-W82 PolarHBondContact O-N 3.34Å; I80-W82 VanDerWaalsContact C-N 3.27Å; I80-W82 PolarHBondContact O-N 2.9Å; W82-M85 PolarHBondContact O-N 2.9Å; W82-A86 WeakPolarHBondContact O-CB 3.34Å; W82-A86 PolarHBondContact O-N 3.49Å
83L97.3Very high96.3Very high103 Ų10389.2 Ų89.254%0.53950%0.503SS..Hα-helixtrans-63.9-40.5174.9-70.1174.5000112.3M79 I80 A86 S87M79-L83 WeakPolarHBondContact O-CG 3.24Å; M79-L83 PolarHBondContact O-N 2.94Å; I80-L83 PolarHBondContact O-N 3.34Å; L83-A86 PolarHBondContact O-N 2.95Å; L83-S87 WeakPolarHBondContact O-CB 3.27Å; L83-S87 PolarHBondContact O-N 3.42Å
84L97.5Very high96.3Very high102 Ų10290 Ų9053%0.53451%0.507SS..Hα-helixtrans-64.1-43.9175.5-69.6175.7000111.2I80 V81 S87 I88I80-L84 HydrophobicContact CG2-CD1 4.04Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 2.89Å; V81-L84 PolarHBondContact O-N 3.36Å; L84-S87 PolarHBondContact O-N 2.91Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 3.32Å
85M97.3Very high96.1Very high107 Ų10792.5 Ų92.553%0.52751%0.51SS..Hα-helixtrans-63.4-43.4176.1-70.7-58.1-65.400111.9V81 W82 S87 I88 V89V81-M85 HydrophobicContact CG1-CG 4.38Å; V81-M85 WeakPolarHBondContact O-CB 3.41Å; V81-M85 VanDerWaalsContact O-CG 3.27Å; V81-M85 WeakPolarHBondContact O-CG 3.37Å; V81-M85 PolarHBondContact O-N 3.22Å; W82-M85 PolarHBondContact O-N 2.9Å; M85-S87 VanDerWaalsContact C-N 3.33Å; M85-S87 PolarHBondContact O-N 3.31Å; M85-I88 PolarHBondContact O-N 2.92Å; M85-I88 HydrophobicContact SD-CD1 4.48Å; M85-V89 VanDerWaalsContact O-CG2 3.32Å; M85-V89 WeakPolarHBondContact O-CG2 3.33Å; M85-V89 PolarHBondContact O-N 2.86Å
86A97.6Very high95.8Very high50 Ų5097.1 Ų97.141%0.41352%0.517SS..Hα-helixtrans-62.2-39.7175.600000112W82 L83 G90W82-A86 WeakPolarHBondContact O-CB 3.34Å; W82-A86 PolarHBondContact O-N 3.49Å; L83-A86 PolarHBondContact O-N 2.95Å; A86-G90 PolarHBondContact O-N 2.93Å
87S97.5Very high95.3Very high71 Ų71100 Ų10050%0.49752%0.523SS..Hα-helixtrans-64.1-44.9174.6-1780000112.3L83 L84 M85 G90 T91L83-S87 WeakPolarHBondContact O-CB 3.27Å; L83-S87 PolarHBondContact O-N 3.42Å; L84-S87 PolarHBondContact O-N 2.91Å; M85-S87 VanDerWaalsContact C-N 3.33Å; M85-S87 PolarHBondContact O-N 3.31Å; S87-G90 PolarHBondContact O-N 3.44Å; S87-T91 WeakPolarHBondContact O-CG2 3.32Å; S87-T91 PolarHBondContact O-N 2.94Å; S87-T91 PolarHBondContact O-OG1 3.42Å
88I97.6Very high94.6Very high86 Ų86103 Ų10344%0.44153%0.534SS..Hα-helixtrans-63.1-45.4177.3-67.1163.1000110.6L84 M85 T91 L92L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 3.32Å; M85-I88 PolarHBondContact O-N 2.92Å; M85-I88 HydrophobicContact SD-CD1 4.48Å; I88-T91 WeakPolarHBondContact CA-OG1 3.27Å; I88-T91 PolarHBondContact O-N 3.46Å; I88-T91 PolarHBondContact O-OG1 3.29Å; I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 WeakPolarHBondContact O-CB 3.39Å; I88-L92 VanDerWaalsContact O-CG 3.32Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 2.89Å
89V97.3Very high93.7Very high82 Ų82103.3 Ų103.350%0.49753%0.53SS..Hα-helixtrans-63.8-43.5177.11740000110.7M85 T91 L92 V93M85-V89 VanDerWaalsContact O-CG2 3.32Å; M85-V89 WeakPolarHBondContact O-CG2 3.33Å; M85-V89 PolarHBondContact O-N 2.86Å; V89-T91 PolarHBondContact O-N 3.32Å; V89-L92 PolarHBondContact O-N 2.87Å; V89-V93 HydrophobicContact CG1-CG2 4.45Å; V89-V93 WeakPolarHBondContact O-CG2 3.46Å; V89-V93 PolarHBondContact O-N 3.4Å
90G97.1Very high92.6Very high39 Ų39108.4 Ų108.440%0.40254%0.543SS..Hα-helixtrans-59.6-45.4176.500000112.8A86 S87 V93 L94A86-G90 PolarHBondContact O-N 2.93Å; S87-G90 PolarHBondContact O-N 3.44Å; G90-V93 PolarHBondContact O-N 2.92Å; G90-L94 WeakPolarHBondContact O-CB 3.42Å; G90-L94 PolarHBondContact O-N 2.81Å
91T96.1Very high91.1Very high80 Ų80114.4 Ų114.449%0.49156%0.56SS.*Hα-helixtrans-66.7-37.8176.952.60000112.5S87 I88 V89 L94 Y95S87-T91 WeakPolarHBondContact O-CG2 3.32Å; S87-T91 PolarHBondContact O-N 2.94Å; S87-T91 PolarHBondContact O-OG1 3.42Å; I88-T91 WeakPolarHBondContact CA-OG1 3.27Å; I88-T91 PolarHBondContact O-N 3.46Å; I88-T91 PolarHBondContact O-OG1 3.29Å; V89-T91 PolarHBondContact O-N 3.32Å; T91-L94 PolarHBondContact O-N 3.27Å; T91-Y95 WeakPolarHBondContact O-CB 3.31Å; T91-Y95 PolarHBondContact O-N 2.96Å
92L96.3Very high89.9Confident98 Ų98112.4 Ų112.451%0.51355%0.549SS..Hα-helixtrans-64.7-42.8174.4-75.5169.3000112.3I88 V89 Y95 R96I88-L92 HydrophobicContact CG2-CD1 4Å; I88-L92 WeakPolarHBondContact O-CB 3.39Å; I88-L92 VanDerWaalsContact O-CG 3.32Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 2.89Å; V89-L92 PolarHBondContact O-N 2.87Å; L92-Y95 PolarHBondContact O-N 3.03Å; L92-R96 WeakPolarHBondContact O-CB 3.25Å; L92-R96 VanDerWaalsContact O-CG 3.25Å; L92-R96 WeakPolarHBondContact O-CG 3.32Å; L92-R96 PolarHBondContact O-N 3.46Å
93V95Very high89Confident98 Ų98107.6 Ų107.659%0.59454%0.538SS*.Hα-helixtrans-64.1-46.4176.2171.30000110.4V89 G90 Y95 R96 Y97V89-V93 HydrophobicContact CG1-CG2 4.45Å; V89-V93 WeakPolarHBondContact O-CG2 3.46Å; V89-V93 PolarHBondContact O-N 3.4Å; G90-V93 PolarHBondContact O-N 2.92Å; V93-Y95 PolarHBondContact O-N 2.86Å; V93-R96 PolarHBondContact O-N 3.28Å; V93-Y97 WeakPolarHBondContact O-CB 3.32Å; V93-Y97 PolarHBondContact O-N 3.48Å
94L92.1Very high88.2Confident105 Ų105105.4 Ų105.455%0.5552%0.524SS..Hα-helixtrans-61.8-43.4176.8-17664.9000111.4G90 T91 R96 Y97 M98G90-L94 WeakPolarHBondContact O-CB 3.42Å; G90-L94 PolarHBondContact O-N 2.81Å; T91-L94 PolarHBondContact O-N 3.27Å; L94-R96 PolarHBondContact O-N 2.94Å; L94-Y97 WeakPolarHBondContact O-CB 3.37Å; L94-Y97 PolarHBondContact O-N 3.36Å; L94-M98 HydrophobicContact CD1-CG 4.27Å; L94-M98 HydrophobicContact CG-CG 4.37Å; L94-M98 WeakPolarHBondContact O-CB 3.37Å; L94-M98 VanDerWaalsContact O-CG 3.26Å; L94-M98 WeakPolarHBondContact O-CG 3.21Å; L94-M98 PolarHBondContact O-N 3.17Å
95Y90.1Very high87.6Confident155 Ų155105.2 Ų105.261%0.60853%0.527SS*.Hα-helixtrans-60.2-45.3176179-101.1000111.5T91 L92 V93 Y97 M98 T99T91-Y95 WeakPolarHBondContact O-CB 3.31Å; T91-Y95 PolarHBondContact O-N 2.96Å; L92-Y95 PolarHBondContact O-N 3.03Å; V93-Y95 PolarHBondContact O-N 2.86Å; Y95-Y97 VanDerWaalsContact C-N 3.31Å; Y95-Y97 PolarHBondContact O-N 3.4Å; Y95-M98 PolarHBondContact O-N 2.67Å; Y95-T99 HydrophobicContact CD1-CG2 4.4Å; Y95-T99 HydrophobicContact CD2-CG2 4.22Å; Y95-T99 HydrophobicContact CE1-CG2 4.02Å; Y95-T99 HydrophobicContact CE2-CG2 3.83Å; Y95-T99 HydrophobicContact CG-CG2 4.49Å; Y95-T99 WeakPolarHBondContact O-CB 3.47Å; Y95-T99 WeakPolarHBondContact O-CG2 3.4Å; Y95-T99 PolarHBondContact O-N 3.46Å; Y95-T99 PolarHBondContact O-OG1 3.41Å
96R88.7Confident86.9Confident172 Ų172101.3 Ų101.365%0.64952%0.515SS*.Hα-helixtrans-64.2-35.3175.3-71.8-67.4-171.9123.53.7112.6L92 V93 L94 T99 R100L92-R96 WeakPolarHBondContact O-CB 3.25Å; L92-R96 VanDerWaalsContact O-CG 3.25Å; L92-R96 WeakPolarHBondContact O-CG 3.32Å; L92-R96 PolarHBondContact O-N 3.46Å; V93-R96 PolarHBondContact O-N 3.28Å; L94-R96 PolarHBondContact O-N 2.94Å; R96-T99 WeakPolarHBondContact CA-OG1 3.26Å; R96-T99 PolarHBondContact O-OG1 3.41Å; R96-R100 WeakPolarHBondContact O-CB 3.45Å; R96-R100 VanDerWaalsContact O-CG 3.31Å; R96-R100 WeakPolarHBondContact O-CG 3.49Å; R96-R100 PolarHBondContact O-N 3.45Å
97Y85.4Confident86.2Confident178 Ų178103 Ų10370%0.69852%0.523SS*.Hα-helixtrans-66.4-50.2175.9-178.2-100.3000110.9V93 L94 Y95 T99 R100V93-Y97 WeakPolarHBondContact O-CB 3.32Å; V93-Y97 PolarHBondContact O-N 3.48Å; L94-Y97 WeakPolarHBondContact O-CB 3.37Å; L94-Y97 PolarHBondContact O-N 3.36Å; Y95-Y97 VanDerWaalsContact C-N 3.31Å; Y95-Y97 PolarHBondContact O-N 3.4Å; Y97-T99 VanDerWaalsContact C-N 3.31Å; Y97-T99 PolarHBondContact O-N 2.87Å; Y97-R100 PolarHBondContact O-N 2.84Å
98M80.3Confident85.4Confident131 Ų131103.6 Ų103.665%0.64553%0.527SS*.Hα-helixtrans-65.9-30.5-180-65.1-65.8-76.900113L94 Y95L94-M98 HydrophobicContact CD1-CG 4.27Å; L94-M98 HydrophobicContact CG-CG 4.37Å; L94-M98 WeakPolarHBondContact O-CB 3.37Å; L94-M98 VanDerWaalsContact O-CG 3.26Å; L94-M98 WeakPolarHBondContact O-CG 3.21Å; L94-M98 PolarHBondContact O-N 3.17Å; Y95-M98 PolarHBondContact O-N 2.67Å
99T76.8Confident84.7Confident65 Ų65103.7 Ų103.740%0.39953%0.531SS..Hα-helixtrans-87.2-9.3179.950.70000114.4Y95 R96 Y97 R101Y95-T99 HydrophobicContact CD1-CG2 4.4Å; Y95-T99 HydrophobicContact CD2-CG2 4.22Å; Y95-T99 HydrophobicContact CE1-CG2 4.02Å; Y95-T99 HydrophobicContact CE2-CG2 3.83Å; Y95-T99 HydrophobicContact CG-CG2 4.49Å; Y95-T99 WeakPolarHBondContact O-CB 3.47Å; Y95-T99 WeakPolarHBondContact O-CG2 3.4Å; Y95-T99 PolarHBondContact O-N 3.46Å; Y95-T99 PolarHBondContact O-OG1 3.41Å; R96-T99 WeakPolarHBondContact CA-OG1 3.26Å; R96-T99 PolarHBondContact O-OG1 3.41Å; Y97-T99 VanDerWaalsContact C-N 3.31Å; Y97-T99 PolarHBondContact O-N 2.87Å; T99-R101 PolarHBondContact O-N 3.32Å
100R72.8Confident83.8Confident208 Ų208102 Ų10279%0.78552%0.521SS*.SBendtrans-67.2-36-169.7-106.2-177.5-169.4-1705.4113.9R96 Y97R96-R100 WeakPolarHBondContact O-CB 3.45Å; R96-R100 VanDerWaalsContact O-CG 3.31Å; R96-R100 WeakPolarHBondContact O-CG 3.49Å; R96-R100 PolarHBondContact O-N 3.45Å; Y97-R100 PolarHBondContact O-N 2.84Å
101R66.5Low82.9Confident217 Ų217106.9 Ų106.982%0.81953%0.533SS*.  trans-162.396.2172.7-64.8-163.7-176.8-157.3-0.5109.8T99 V103T99-R101 PolarHBondContact O-N 3.32Å; R101-V103 PolarHBondContact O-N 2.76Å
102P71.4Confident81.9Confident43 Ų43103.1 Ų103.128%0.27951%0.51SS..  trans-74.967.3172.932.9-36.2000110.2F104 T131P102-F104 HydrophobicContact CB-CD2 4.3Å; P102-F104 HydrophobicContact CB-CE2 3.7Å; P102-F104 HydrophobicContact CB-CZ 4.15Å; P102-T131 WeakPolarHBondContact CG-OG1 3.38Å
103V79.1Confident80.7Confident69 Ų69102.1 Ų102.142%0.41851%0.508SS..EExtended strand (participates in β ladder)trans-84.2113162.7-178.10000106.3R101 V105 V129 D130R101-V103 PolarHBondContact O-N 2.76Å; V103-V105 HydrophobicContact CG1-CG2 4.32Å; V103-V129 WeakPolarHBondContact CA-O 3.47Å; V103-D130 HydrophobicContact CG2-CB 4.34Å
104F80.7Confident79.4Confident57 Ų5799.8 Ų99.825%0.2549%0.492CS..EExtended strand (participates in β ladder)trans-96.4119-179.6-74.8-70.2000108.9P102 E128 V129 T131 L198P102-F104 HydrophobicContact CB-CD2 4.3Å; P102-F104 HydrophobicContact CB-CE2 3.7Å; P102-F104 HydrophobicContact CB-CZ 4.15Å; F104-E128 CarbonylContact O-C 3.5Å; F104-E128 WeakPolarHBondContact O-CA 3.29Å; F104-V129 HydrophobicContact CB-CB 4.29Å; F104-V129 PolarHBondContact N-O 2.64Å; F104-V129 PolarHBondContact O-N 2.65Å; F104-T131 HydrophobicContact CD2-CG2 4.17Å; F104-T131 HydrophobicContact CE2-CG2 4.22Å; F104-L198 HydrophobicContact CB-CB 3.67Å; F104-L198 HydrophobicContact CB-CD1 4.03Å; F104-L198 HydrophobicContact CB-CD2 3.73Å; F104-L198 HydrophobicContact CB-CG 3.96Å; F104-L198 HydrophobicContact CD1-CB 3.51Å; F104-L198 HydrophobicContact CD1-CD2 3.37Å; F104-L198 HydrophobicContact CD1-CG 4Å; F104-L198 HydrophobicContact CD2-CB 3.65Å; F104-L198 HydrophobicContact CE1-CB 3.97Å; F104-L198 HydrophobicContact CE1-CD2 4.19Å; F104-L198 HydrophobicContact CE2-CB 4.08Å; F104-L198 HydrophobicContact CG-CB 3.32Å; F104-L198 HydrophobicContact CG-CD2 3.78Å; F104-L198 HydrophobicContact CG-CG 4.01Å; F104-L198 HydrophobicContact CZ-CB 4.24Å
105V84.6Confident78Confident99 Ų9999.9 Ų99.960%0.649%0.493SS*.EExtended strand (participates in β ladder)trans-108.9126.9177.1-173.30000108.1V103 V127 E128V103-V105 HydrophobicContact CG1-CG2 4.32Å; V105-V127 WeakPolarHBondContact CA-O 3.16Å; V105-E128 HydrophobicContact CG1-CG 4.2Å; V105-E128 HydrophobicContact CG2-CG 4.19Å
106G82.8Confident76.8Confident25 Ų2597.5 Ų97.526%0.25850%0.495SS..EExtended strand (participates in β ladder)trans-132.2150.417500000110.7V127G106-V127 PolarHBondContact N-O 2.98Å; G106-V127 PolarHBondContact O-N 2.83Å
107S81.8Confident75.6Confident86 Ų8692 Ų9260%0.60149%0.492SS*.EExtended strand (participates in β ladder)trans-125129.3172.459.40000108.8Q125S107-Q125 CarbonylContact C-O 3.56Å; S107-Q125 WeakPolarHBondContact CA-O 3.43Å
108C80.3Confident74.7Confident83 Ų8390.8 Ų90.856%0.56149%0.492SS*.EExtended strand (participates in β ladder)trans-110.3127.2170.3-170.80000108A124 Q125C108-A124 WeakPolarHBondContact O-CA 3.49Å; C108-Q125 PolarHBondContact N-O 2.86Å; C108-Q125 PolarHBondContact O-N 2.88Å
109V82.9Confident74Confident87 Ų8789.7 Ų89.753%0.52749%0.489SS..EExtended strand (participates in β ladder)trans-119.9130.1178.7-175.60000108.2A122 L123 A124V109-A122 HydrophobicContact CG1-CB 4.2Å; V109-L123 WeakPolarHBondContact CA-O 3.5Å; V109-A124 HydrophobicContact CG2-CB 3.91Å
110T79.7Confident73.8Confident48 Ų4890.9 Ų90.929%0.29450%0.498SS..EExtended strand (participates in β ladder)trans-125.3143.8168.3-1760000109.5V112 L123T110-V112 HydrophobicContact CG2-CG2 4.08Å; T110-L123 HydrophobicContact CG2-CB 3.99Å; T110-L123 HydrophobicContact CG2-CD1 4.43Å; T110-L123 PolarHBondContact N-O 3.25Å; T110-L123 PolarHBondContact O-N 3.42Å
111E78.7Confident73.9Confident141 Ų14183.4 Ų83.466%0.65948%0.475SS*.EExtended strand (participates in β ladder)trans-96.3124.1175.5-67.1-177.1178.500108.5
112V74.3Confident74.4Confident0 Ų076 Ų760%046%0.461CS..EExtended strand (participates in β ladder)trans-124.6140.4-176.2171.10000109.6T110 D114 V121 L123 F279 D283 V285T110-V112 HydrophobicContact CG2-CG2 4.08Å; V112-D114 PolarHBondContact O-N 3.23Å; V112-V121 PolarHBondContact N-O 3.01Å; V112-V121 PolarHBondContact O-N 3.39Å; V112-L123 HydrophobicContact CB-CD1 3.51Å; V112-L123 HydrophobicContact CB-CG 4.23Å; V112-L123 HydrophobicContact CG1-CD1 4.07Å; V112-L123 HydrophobicContact CG2-CD1 3.33Å; V112-L123 HydrophobicContact CG2-CG 4.26Å; V112-F279 HydrophobicContact CG1-CD2 4.44Å; V112-F279 HydrophobicContact CG1-CE2 4.41Å; V112-F279 HydrophobicContact CG2-CD2 3.98Å; V112-F279 HydrophobicContact CG2-CE2 3.45Å; V112-F279 VanDerWaalsContact CG2-CE2 3.45Å; V112-F279 HydrophobicContact CG2-CZ 4.29Å; V112-D283 WeakPolarHBondContact CG1-O 3.42Å; V112-V285 HydrophobicContact CG1-CB 4.47Å; V112-V285 HydrophobicContact CG1-CG2 3.59Å
113V71.5Confident74.7Confident78 Ų7874.5 Ų74.547%0.47345%0.45SS..EExtended strand (participates in β ladder)trans-83.8117.7174.7-174.70000107.9D283V113-D283 PolarHBondContact N-O 2.91Å
114D66.7Low74.9Confident48 Ų4873.4 Ų73.426%0.25745%0.448SS..  trans-61.8158.3172-96.1-5.1000110.7V112 T116 G117 V121V112-D114 PolarHBondContact O-N 3.23Å; D114-T116 PolarHBondContact O-N 2.52Å; D114-G117 PolarHBondContact O-N 3.18Å; D114-V121 HydrophobicContact CB-CG2 4.38Å; D114-V121 WeakPolarHBondContact OD2-CG2 3.26Å
115N63.5Low75Confident107 Ų10774.1 Ų74.157%0.57245%0.453SS*.THydrogen-bonded Turntrans-55.1-22.1178.6-74.2-62.1000114.3G117 V285 M287N115-G117 PolarHBondContact O-N 2.9Å; N115-V285 PolarHBondContact ND2-O 3.39Å; N115-V285 PolarHBondContact OD1-O 2.85Å; N115-V285 VanDerWaalsContact OD1-O 3.06Å; N115-M287 VanDerWaalsContact ND2-CG 3.29Å; N115-M287 WeakPolarHBondContact ND2-CG 3.5Å
116T63.5Low75.2Confident106 Ų10672.1 Ų72.165%0.6544%0.439SS*.THydrogen-bonded Turntrans-72.2-15.7176.252.20000112.7D114 E118D114-T116 PolarHBondContact O-N 2.52Å; T116-E118 PolarHBondContact O-N 3.24Å
117G64.4Low75.4Confident56 Ų5672.2 Ų72.258%0.57743%0.434SS*.SBendtrans65.54.7-179.700000114.3D114 N115D114-G117 PolarHBondContact O-N 3.18Å; N115-G117 PolarHBondContact O-N 2.9Å
118E65.9Low75.6Confident153 Ų15371 Ų7172%0.71542%0.419SS*.SBendtrans-96.5-30.9-163.2-159.1169.5-169.800112.5T116T116-E118 PolarHBondContact O-N 3.24Å
119N65.9Low75.8Confident107 Ų10767.1 Ų67.157%0.57239%0.393SS*.SBendtrans-144134.2177.5-64-66.1000111.3V121N119-V121 PolarHBondContact O-N 3.32Å
120P72.1Confident75.8Confident91 Ų9164.7 Ų64.759%0.59138%0.377SS*.EExtended strand (participates in β ladder)trans-66.6131169.128.9-32.5000109.3
121V75.3Confident75.7Confident50 Ų5063.5 Ų63.530%0.30337%0.369SS..EExtended strand (participates in β ladder)trans-105.2122.1175.7179.50000108.1V112 D114 N119 L123V112-V121 PolarHBondContact N-O 3.01Å; V112-V121 PolarHBondContact O-N 3.39Å; D114-V121 HydrophobicContact CB-CG2 4.38Å; D114-V121 WeakPolarHBondContact OD2-CG2 3.26Å; N119-V121 PolarHBondContact O-N 3.32Å; V121-L123 HydrophobicContact CG1-CD2 4.18Å; V121-L123 PolarHBondContact O-N 3.4Å
122A77.4Confident75.5Confident63 Ų6359.3 Ų59.352%0.52136%0.364SS..EExtended strand (participates in β ladder)trans-76.5113.6173.900000109.9V109V109-A122 HydrophobicContact CG1-CB 4.2Å
123L77.7Confident75.6Confident10 Ų1063.2 Ų63.25%0.05239%0.385CS..EExtended strand (participates in β ladder)trans-92.9104.2175.3-58.8171.4000108.3V109 T110 V112 V121 P141 F143 F279 V285V109-L123 WeakPolarHBondContact CA-O 3.5Å; T110-L123 HydrophobicContact CG2-CB 3.99Å; T110-L123 HydrophobicContact CG2-CD1 4.43Å; T110-L123 PolarHBondContact N-O 3.25Å; T110-L123 PolarHBondContact O-N 3.42Å; V112-L123 HydrophobicContact CB-CD1 3.51Å; V112-L123 HydrophobicContact CB-CG 4.23Å; V112-L123 HydrophobicContact CG1-CD1 4.07Å; V112-L123 HydrophobicContact CG2-CD1 3.33Å; V112-L123 HydrophobicContact CG2-CG 4.26Å; V121-L123 HydrophobicContact CG1-CD2 4.18Å; V121-L123 PolarHBondContact O-N 3.4Å; L123-P141 HydrophobicContact CB-CB 4.42Å; L123-P141 HydrophobicContact CB-CG 4.26Å; L123-P141 HydrophobicContact CD2-CB 4.37Å; L123-F143 HydrophobicContact CB-CE1 4.22Å; L123-F143 HydrophobicContact CD1-CD1 3.64Å; L123-F143 HydrophobicContact CD1-CE1 3.56Å; L123-F143 HydrophobicContact CD2-CD1 3.45Å; L123-F143 VanDerWaalsContact CD2-CD1 3.45Å; L123-F143 HydrophobicContact CD2-CE1 3.68Å; L123-F143 HydrophobicContact CG-CD1 4.1Å; L123-F143 HydrophobicContact CG-CE1 3.99Å; L123-F279 HydrophobicContact CD1-CD2 4.5Å; L123-V285 HydrophobicContact CD1-CG2 4.39Å
124A82.3Confident76Confident46 Ų4664 Ų6438%0.3838%0.383SS..EExtended strand (participates in β ladder)trans-100.4118.5177.400000110.5C108 V109C108-A124 WeakPolarHBondContact O-CA 3.49Å; V109-A124 HydrophobicContact CG2-CB 3.91Å
125Q84.2Confident76.8Confident73 Ų7362.2 Ų62.234%0.34137%0.374SS..EExtended strand (participates in β ladder)trans-102.1123171.1179.6-177.9-26.500109.2S107 C108 V127 I138 P141S107-Q125 CarbonylContact C-O 3.56Å; S107-Q125 WeakPolarHBondContact CA-O 3.43Å; C108-Q125 PolarHBondContact N-O 2.86Å; C108-Q125 PolarHBondContact O-N 2.88Å; Q125-V127 HydrophobicContact CG-CG2 4.06Å; Q125-I138 HydrophobicContact CG-CG2 4.01Å; Q125-I138 VanDerWaalsContact NE2-CG2 3.3Å; Q125-P141 HydrophobicContact CB-CG 4.45Å
126N88.5Confident77.9Confident57 Ų5758.4 Ų58.431%0.30535%0.353SS..EExtended strand (participates in β ladder)trans-99.1130.8173-61-38.9000109.4Q139N126-Q139 HydrophobicContact CB-CB 4.2Å; N126-Q139 HydrophobicContact CB-CG 4.39Å; N126-Q139 PolarHBondContact ND2-OE1 3.39Å; N126-Q139 PolarHBondContact O-N 3.5Å
127V86.8Confident79.1Confident26 Ų2655 Ų5516%0.15833%0.329CS..EExtended strand (participates in β ladder)trans-123125.3179.2-176.60000108.6V105 G106 Q125 V129 K137 I138V105-V127 WeakPolarHBondContact CA-O 3.16Å; G106-V127 PolarHBondContact N-O 2.98Å; G106-V127 PolarHBondContact O-N 2.83Å; Q125-V127 HydrophobicContact CG-CG2 4.06Å; V127-V129 HydrophobicContact CG1-CG2 3.94Å; V127-K137 WeakPolarHBondContact CA-O 3.42Å; V127-I138 HydrophobicContact CG1-CG1 4.42Å; V127-I138 HydrophobicContact CG2-CG1 4.49Å; V127-I138 HydrophobicContact CG2-CG2 4.47Å
128E86.6Confident80.3Confident62 Ų6253.6 Ų53.629%0.2931%0.308SS..EExtended strand (participates in β ladder)trans-117.8123.9175.1-63.1173.4-158.500108.2F104 V105 K137F104-E128 CarbonylContact O-C 3.5Å; F104-E128 WeakPolarHBondContact O-CA 3.29Å; V105-E128 HydrophobicContact CG1-CG 4.2Å; V105-E128 HydrophobicContact CG2-CG 4.19Å; E128-K137 HydrophobicContact CB-CB 4.22Å; E128-K137 PolarHBondContact N-O 3.34Å; E128-K137 PolarHBondContact O-N 3.22Å
129V83.9Confident81.4Confident1 Ų149.5 Ų49.51%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-121116.7-178.6178.40000109V103 F104 V127 T131 E136 P195V103-V129 WeakPolarHBondContact CA-O 3.47Å; F104-V129 HydrophobicContact CB-CB 4.29Å; F104-V129 PolarHBondContact N-O 2.64Å; F104-V129 PolarHBondContact O-N 2.65Å; V127-V129 HydrophobicContact CG1-CG2 3.94Å; V129-T131 HydrophobicContact CG1-CG2 4.09Å; V129-E136 HydrophobicContact CG2-CG 4.32Å; V129-P195 HydrophobicContact CG1-CB 3.37Å; V129-P195 HydrophobicContact CG1-CG 3.57Å
130D82.9Confident82.4Confident36 Ų3646.7 Ų46.719%0.19328%0.275CS..EExtended strand (participates in β ladder)trans-100.3101.6170.6-174.3-11.2000109.1V103 G132 N133 H134 V135V103-D130 HydrophobicContact CG2-CB 4.34Å; D130-G132 PolarHBondContact O-N 2.83Å; D130-G132 WeakPolarHBondContact OD1-CA 3.43Å; D130-G132 PolarHBondContact OD1-N 2.81Å; D130-N133 PolarHBondContact OD1-N 2.78Å; D130-N133 PolarHBondContact OD2-ND2 2.81Å; D130-H134 WeakPolarHBondContact O-CA 3.38Å; D130-H134 PolarHBondContact O-N 3.17Å; D130-V135 HydrophobicContact CB-CB 4.48Å; D130-V135 PolarHBondContact N-O 2.85Å; D130-V135 PolarHBondContact O-N 3.43Å
131T77Confident82.7Confident23 Ų2343.4 Ų43.414%0.14125%0.254CS..THydrogen-bonded Turntrans-73.6-17.1178.858.50000113P102 F104 V129P102-T131 WeakPolarHBondContact CG-OG1 3.38Å; F104-T131 HydrophobicContact CD2-CG2 4.17Å; F104-T131 HydrophobicContact CE2-CG2 4.22Å; V129-T131 HydrophobicContact CG1-CG2 4.09Å
132G75.5Confident82.7Confident53 Ų5343.6 Ų43.655%0.54626%0.26SS..THydrogen-bonded Turntrans-75.8-43.1178.100000112.4D130D130-G132 PolarHBondContact O-N 2.83Å; D130-G132 WeakPolarHBondContact OD1-CA 3.43Å; D130-G132 PolarHBondContact OD1-N 2.81Å
133N76.3Confident82.5Confident82 Ų8242.2 Ų42.244%0.43924%0.243SC..THydrogen-bonded Turntrans-94-3.7177.6-66.1-47.6000113.5D130 V135 M156D130-N133 PolarHBondContact OD1-N 2.78Å; D130-N133 PolarHBondContact OD2-ND2 2.81Å; N133-V135 HydrophobicContact CB-CG2 4.03Å; N133-M156 WeakPolarHBondContact O-CG 3.13Å
134H79.3Confident82.2Confident93 Ų9344.1 Ų44.143%0.43127%0.265SS..THydrogen-bonded Turntrans53.454.6-172.5-54.2-65.8000111.6D130 F155D130-H134 WeakPolarHBondContact O-CA 3.38Å; D130-H134 PolarHBondContact O-N 3.17Å; H134-F155 HydrophobicContact CB-CB 4.05Å; H134-F155 WeakPolarHBondContact O-CB 3.14Å; H134-F155 VanDerWaalsContact O-CD2 3.29Å; H134-F155 WeakPolarHBondContact O-CD2 3.21Å; H134-F155 PolarHBondContact O-N 3.5Å
135V83.7Confident81.8Confident11 Ų1146 Ų467%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-123.2137.7178.7174.70000109D130 N133 V152 H153 E240D130-V135 HydrophobicContact CB-CB 4.48Å; D130-V135 PolarHBondContact N-O 2.85Å; D130-V135 PolarHBondContact O-N 3.43Å; N133-V135 HydrophobicContact CB-CG2 4.03Å; V135-V152 HydrophobicContact CG1-CG1 3.82Å; V135-H153 WeakPolarHBondContact CA-O 3.34Å; V135-E240 HydrophobicContact CG1-CB 4.33Å; V135-E240 HydrophobicContact CG1-CG 3.82Å; V135-E240 HydrophobicContact CG2-CB 4.35Å
136E85.9Confident81.4Confident27 Ų2744.5 Ų44.513%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-122.9129.5171.3175.6-179.3-159.300109.2V129 I138 V152 H153 F155V129-E136 HydrophobicContact CG2-CG 4.32Å; E136-I138 HydrophobicContact CG-CD1 4.21Å; E136-I138 HydrophobicContact CG-CG1 3.95Å; E136-V152 CarbonylContact O-C 3.56Å; E136-V152 VanDerWaalsContact O-CA 3.31Å; E136-V152 WeakPolarHBondContact O-CA 3.24Å; E136-H153 HydrophobicContact CB-CB 4.33Å; E136-H153 PolarHBondContact N-O 3.29Å; E136-H153 PolarHBondContact O-N 3.34Å; E136-H153 IonicContact OE2-CD2 2.64Å; E136-F155 HydrophobicContact CB-CE2 3.9Å
137K89.6Confident81.1Confident36 Ų3649.2 Ų49.216%0.15728%0.281CS..EExtended strand (participates in β ladder)trans-120122.5178.6175.2176.3-164.1168.50109.2V127 E128 T150 F151 V152 E244V127-K137 WeakPolarHBondContact CA-O 3.42Å; E128-K137 HydrophobicContact CB-CB 4.22Å; E128-K137 PolarHBondContact N-O 3.34Å; E128-K137 PolarHBondContact O-N 3.22Å; K137-T150 HydrophobicContact CD-CG2 4.4Å; K137-T150 HydrophobicContact CG-CG2 3.79Å; K137-F151 CarbonylContact C-O 3.59Å; K137-F151 WeakPolarHBondContact CA-O 3.42Å; K137-V152 HydrophobicContact CB-CG2 4.45Å; K137-V152 HydrophobicContact CG-CG2 4.15Å; K137-E244 IonicContact NZ-OE1 3.69Å; K137-E244 PolarHBondContact NZ-OE1 3.43Å
138I88.9Confident81Confident26 Ų2649.7 Ų49.713%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-120.7118.2-177.1-55.4172.5000108.3Q125 V127 E136 V140 T150 F151Q125-I138 HydrophobicContact CG-CG2 4.01Å; Q125-I138 VanDerWaalsContact NE2-CG2 3.3Å; V127-I138 HydrophobicContact CG1-CG1 4.42Å; V127-I138 HydrophobicContact CG2-CG1 4.49Å; V127-I138 HydrophobicContact CG2-CG2 4.47Å; E136-I138 HydrophobicContact CG-CD1 4.21Å; E136-I138 HydrophobicContact CG-CG1 3.95Å; I138-V140 HydrophobicContact CG2-CG2 4.32Å; I138-T150 WeakPolarHBondContact O-CA 3.37Å; I138-F151 HydrophobicContact CB-CB 4.39Å; I138-F151 PolarHBondContact N-O 3.05Å; I138-F151 PolarHBondContact O-N 3.15Å
139Q90Very high81.1Confident67 Ų6747.6 Ų47.631%0.31328%0.278SS..EExtended strand (participates in β ladder)trans-89111171.3-61.6176.823.900108.3N126 T150N126-Q139 HydrophobicContact CB-CB 4.2Å; N126-Q139 HydrophobicContact CB-CG 4.39Å; N126-Q139 PolarHBondContact ND2-OE1 3.39Å; N126-Q139 PolarHBondContact O-N 3.5Å; Q139-T150 HydrophobicContact CG-CG2 4.2Å
140V85.7Confident81.5Confident47 Ų4748.1 Ų48.129%0.28528%0.281SS..EExtended strand (participates in β ladder)trans-81.8126-179.9175.80000108.7I138 F143 A149 F151I138-V140 HydrophobicContact CG2-CG2 4.32Å; V140-F143 HydrophobicContact CG1-CE2 3.83Å; V140-F143 HydrophobicContact CG1-CZ 4.34Å; V140-A149 PolarHBondContact N-O 3.39Å; V140-A149 VanDerWaalsContact N-O 3.09Å; V140-F151 HydrophobicContact CB-CD2 4.36Å; V140-F151 HydrophobicContact CB-CE2 4.3Å; V140-F151 HydrophobicContact CG2-CD2 3.4Å; V140-F151 HydrophobicContact CG2-CE2 3.58Å; V140-F151 HydrophobicContact CG2-CG 4.47Å
141P79.1Confident81.8Confident23 Ų2349.3 Ų49.315%0.14929%0.285CS..PPolyproline II helixtrans-63.4147.2176.514.2-16.4000110.7L123 Q125 F143L123-P141 HydrophobicContact CB-CB 4.42Å; L123-P141 HydrophobicContact CB-CG 4.26Å; L123-P141 HydrophobicContact CD2-CB 4.37Å; Q125-P141 HydrophobicContact CB-CG 4.45Å; P141-F143 HydrophobicContact CB-CE1 4.06Å; P141-F143 HydrophobicContact CB-CZ 4.27Å; P141-F143 HydrophobicContact CG-CE1 3.65Å; P141-F143 HydrophobicContact CG-CZ 3.59Å; P141-F143 WeakPolarHBondContact O-CD2 3.31Å; P141-F143 VanDerWaalsContact O-CE2 3.27Å; P141-F143 WeakPolarHBondContact O-CE2 3.47Å; P141-F143 PolarHBondContact O-N 2.85Å
142A76.5Confident82.5Confident53 Ų5348.3 Ų48.344%0.43828%0.279SS..PPolyproline II helixtrans-72.5125.1172.300000108.9P148A142-P148 HydrophobicContact CB-CB 4.39Å
143F73.2Confident83.1Confident34 Ų3446.6 Ų46.615%0.14926%0.256CS..  trans-108.5128.3171.6-43.3-71.7000107.4L123 V140 P141 N146 S277 V285L123-F143 HydrophobicContact CB-CE1 4.22Å; L123-F143 HydrophobicContact CD1-CD1 3.64Å; L123-F143 HydrophobicContact CD1-CE1 3.56Å; L123-F143 HydrophobicContact CD2-CD1 3.45Å; L123-F143 VanDerWaalsContact CD2-CD1 3.45Å; L123-F143 HydrophobicContact CD2-CE1 3.68Å; L123-F143 HydrophobicContact CG-CD1 4.1Å; L123-F143 HydrophobicContact CG-CE1 3.99Å; V140-F143 HydrophobicContact CG1-CE2 3.83Å; V140-F143 HydrophobicContact CG1-CZ 4.34Å; P141-F143 HydrophobicContact CB-CE1 4.06Å; P141-F143 HydrophobicContact CB-CZ 4.27Å; P141-F143 HydrophobicContact CG-CE1 3.65Å; P141-F143 HydrophobicContact CG-CZ 3.59Å; P141-F143 WeakPolarHBondContact O-CD2 3.31Å; P141-F143 VanDerWaalsContact O-CE2 3.27Å; P141-F143 WeakPolarHBondContact O-CE2 3.47Å; P141-F143 PolarHBondContact O-N 2.85Å; F143-N146 VanDerWaalsContact O-CB 3.29Å; F143-N146 WeakPolarHBondContact O-CB 3.36Å; F143-N146 PolarHBondContact O-N 2.84Å; F143-S277 VanDerWaalsContact C-OG 3.3Å; F143-S277 WeakPolarHBondContact O-CB 3.38Å; F143-S277 PolarHBondContact O-OG 3.44Å; F143-V285 HydrophobicContact CB-CG1 3.97Å; F143-V285 HydrophobicContact CB-CG2 4.3Å; F143-V285 HydrophobicContact CD1-CG2 4.41Å
144G71.2Confident83.5Confident50 Ų5043 Ų4352%0.51524%0.237SC..THydrogen-bonded Turntrans49.4-134.2176.100000113.8N146G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 3.4Å
145P73.1Confident83.6Confident86 Ų8638.9 Ų38.956%0.55822%0.218SC*.THydrogen-bonded Turntrans-81.17.6179.334.4-37.3000114.8S277 M287P145-S277 WeakPolarHBondContact CD-OG 3.33Å; P145-M287 HydrophobicContact CG-CE 3.31Å; P145-M287 HydrophobicContact CG-SD 4.17Å
146N76.8Confident83Confident41 Ų4141.9 Ų41.922%0.21923%0.232CC..PPolyproline II helixtrans-69.8149.3179.9-73.5-7.7000111.7F143 G144 S277F143-N146 VanDerWaalsContact O-CB 3.29Å; F143-N146 WeakPolarHBondContact O-CB 3.36Å; F143-N146 PolarHBondContact O-N 2.84Å; G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 3.4Å; N146-S277 PolarHBondContact ND2-O 2.9Å; N146-S277 PolarHBondContact ND2-OG 3.23Å; N146-S277 PolarHBondContact OD1-N 3.43Å; N146-S277 VanDerWaalsContact OD1-N 3.08Å; N146-S277 PolarHBondContact OD1-OG 3.41Å
147R80.9Confident81.7Confident156 Ų15647 Ų4759%0.58926%0.256SS*.PPolyproline II helixtrans-77.5135.8174.9-57.1-175.3-174.3-175.61.5109.8A149 D176 L178R147-A149 PolarHBondContact O-N 3.12Å; R147-D176 IonicContact NH1-OD2 2.94Å; R147-L178 HydrophobicContact CB-CD1 4.17Å; R147-L178 HydrophobicContact CG-CD1 4.11Å
148P85.6Confident79.9Confident37 Ų3746.6 Ų46.624%0.2426%0.257CS..PPolyproline II helixtrans-66.3134.5172.430-34.6000109.5A142 L177 L178A142-P148 HydrophobicContact CB-CB 4.39Å; P148-L177 HydrophobicContact CB-CD1 4.23Å; P148-L177 HydrophobicContact CG-CB 4.43Å; P148-L177 PolarHBondContact O-N 3.37Å; P148-L178 HydrophobicContact CG-CD1 4.31Å; P148-L178 HydrophobicContact CG-CG 4.05Å
149A88.3Confident77.8Confident18 Ų1850 Ų5015%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-135.1149.4-179.800000110.4V140 R147 F151 I174 K175V140-A149 PolarHBondContact N-O 3.39Å; V140-A149 VanDerWaalsContact N-O 3.09Å; R147-A149 PolarHBondContact O-N 3.12Å; A149-F151 HydrophobicContact CB-CE2 4.07Å; A149-I174 HydrophobicContact CB-CG2 4.23Å; A149-K175 WeakPolarHBondContact CA-O 3.45Å
150T91.3Very high75.4Confident11 Ų1153.9 Ų53.97%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-110.2123.8171.6-53.40000108.7K137 I138 Q139 V152 K175K137-T150 HydrophobicContact CD-CG2 4.4Å; K137-T150 HydrophobicContact CG-CG2 3.79Å; I138-T150 WeakPolarHBondContact O-CA 3.37Å; Q139-T150 HydrophobicContact CG-CG2 4.2Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; T150-K175 PolarHBondContact N-O 3.11Å; T150-K175 PolarHBondContact O-N 2.69Å
151F90.8Very high73.2Confident61 Ų6156.8 Ų56.827%0.26832%0.315SS..EExtended strand (participates in β ladder)trans-95.6133.7175-71.5-104.7000108.2K137 I138 V140 A149 T172 L173 I174K137-F151 CarbonylContact C-O 3.59Å; K137-F151 WeakPolarHBondContact CA-O 3.42Å; I138-F151 HydrophobicContact CB-CB 4.39Å; I138-F151 PolarHBondContact N-O 3.05Å; I138-F151 PolarHBondContact O-N 3.15Å; V140-F151 HydrophobicContact CB-CD2 4.36Å; V140-F151 HydrophobicContact CB-CE2 4.3Å; V140-F151 HydrophobicContact CG2-CD2 3.4Å; V140-F151 HydrophobicContact CG2-CE2 3.58Å; V140-F151 HydrophobicContact CG2-CG 4.47Å; A149-F151 HydrophobicContact CB-CE2 4.07Å; F151-T172 HydrophobicContact CD1-CG2 4.31Å; F151-L173 CarbonylContact C-O 3.58Å; F151-L173 WeakPolarHBondContact CA-O 3.5Å; F151-I174 HydrophobicContact CD1-CD1 4.16Å; F151-I174 HydrophobicContact CD1-CG1 3.75Å; F151-I174 HydrophobicContact CD1-CG2 4.48Å; F151-I174 HydrophobicContact CE1-CB 4.48Å; F151-I174 HydrophobicContact CE1-CD1 3.58Å; F151-I174 HydrophobicContact CE1-CG1 3.64Å; F151-I174 HydrophobicContact CE1-CG2 4.11Å; F151-I174 HydrophobicContact CE2-CG2 4.32Å; F151-I174 HydrophobicContact CZ-CD1 4.28Å; F151-I174 HydrophobicContact CZ-CG1 4.41Å; F151-I174 HydrophobicContact CZ-CG2 4.03Å
152V90.7Very high71.7Confident3 Ų361 Ų612%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-131.7115.7178.8-168.90000108.4V135 E136 K137 T150 T172 L173 E240V135-V152 HydrophobicContact CG1-CG1 3.82Å; E136-V152 CarbonylContact O-C 3.56Å; E136-V152 VanDerWaalsContact O-CA 3.31Å; E136-V152 WeakPolarHBondContact O-CA 3.24Å; K137-V152 HydrophobicContact CB-CG2 4.45Å; K137-V152 HydrophobicContact CG-CG2 4.15Å; T150-V152 HydrophobicContact CG2-CG2 4.13Å; V152-T172 CarbonylContact O-C 3.45Å; V152-T172 WeakPolarHBondContact O-CA 2.93Å; V152-L173 HydrophobicContact CB-CB 4.16Å; V152-L173 HydrophobicContact CB-CD2 4.33Å; V152-L173 HydrophobicContact CB-CG 4.44Å; V152-L173 HydrophobicContact CG2-CD2 4.36Å; V152-L173 PolarHBondContact N-O 3.3Å; V152-L173 PolarHBondContact O-N 2.75Å; V152-E240 HydrophobicContact CG1-CB 4.48Å; V152-E240 HydrophobicContact CG1-CG 3.35Å
153H87.9Confident70.6Confident16 Ų1663.8 Ų63.87%0.07437%0.368CS..EExtended strand (participates in β ladder)trans-97.5113.4177.2-56-58.4000108.5V135 E136 F155 T172 L187V135-H153 WeakPolarHBondContact CA-O 3.34Å; E136-H153 HydrophobicContact CB-CB 4.33Å; E136-H153 PolarHBondContact N-O 3.29Å; E136-H153 PolarHBondContact O-N 3.34Å; E136-H153 IonicContact OE2-CD2 2.64Å; H153-F155 HydrophobicContact CB-CD2 4.42Å; H153-F155 HydrophobicContact CB-CE2 3.75Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; H153-T172 WeakPolarHBondContact ND1-CG2 3.2Å; H153-T172 PolarHBondContact ND1-OG1 3.12Å; H153-T172 VanDerWaalsContact ND1-OG1 3.15Å; H153-L187 HydrophobicContact CB-CD1 4.13Å; H153-L187 HydrophobicContact CB-CD2 4.43Å; H153-L187 VanDerWaalsContact ND1-CD1 3.3Å; H153-L187 WeakPolarHBondContact ND1-CD1 3.34Å
154D85.9Confident69.6Low6 Ų667.3 Ų67.33%0.03238%0.384CS..EExtended strand (participates in β ladder)trans-97.3110.5170.9-173.1-11000108.1M156 N170 I171 S238D154-M156 VanDerWaalsContact C-N 3.29Å; D154-M156 WeakPolarHBondContact OD1-CB 3.46Å; D154-M156 WeakPolarHBondContact OD1-CG 3.18Å; D154-M156 PolarHBondContact OD1-N 3.01Å; D154-N170 VanDerWaalsContact O-CA 3.25Å; D154-N170 WeakPolarHBondContact O-CA 3.44Å; D154-I171 PolarHBondContact N-O 3.39Å; D154-I171 PolarHBondContact O-N 2.04Å; D154-S238 WeakPolarHBondContact OD2-CB 3.41Å
155F80Confident68.5Low8 Ų877 Ų774%0.03541%0.405CS..  trans-89.14.9178.4-57-89.5000112.3H134 E136 H153 Q157 N170 L187 V192 P194 P195H134-F155 HydrophobicContact CB-CB 4.05Å; H134-F155 WeakPolarHBondContact O-CB 3.14Å; H134-F155 VanDerWaalsContact O-CD2 3.29Å; H134-F155 WeakPolarHBondContact O-CD2 3.21Å; H134-F155 PolarHBondContact O-N 3.5Å; E136-F155 HydrophobicContact CB-CE2 3.9Å; H153-F155 HydrophobicContact CB-CD2 4.42Å; H153-F155 HydrophobicContact CB-CE2 3.75Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; F155-Q157 PolarHBondContact O-N 3.23Å; F155-N170 VanDerWaalsContact C-OD1 3.3Å; F155-N170 WeakPolarHBondContact CA-OD1 3.28Å; F155-N170 PolarHBondContact O-OD1 3.35Å; F155-L187 HydrophobicContact CD1-CD2 3.4Å; F155-L187 VanDerWaalsContact CD1-CD2 3.4Å; F155-L187 HydrophobicContact CE1-CD2 3.44Å; F155-L187 VanDerWaalsContact CE1-CD2 3.44Å; F155-L187 HydrophobicContact CG-CD2 4.2Å; F155-L187 HydrophobicContact CZ-CD2 4.25Å; F155-V192 HydrophobicContact CE1-CG1 4.05Å; F155-V192 HydrophobicContact CZ-CG1 3.78Å; F155-P194 HydrophobicContact CB-CB 4.29Å; F155-P194 HydrophobicContact CD1-CB 3.7Å; F155-P194 HydrophobicContact CD2-CB 4.45Å; F155-P194 VanDerWaalsContact CE1-CA 3.48Å; F155-P194 HydrophobicContact CE1-CB 4.06Å; F155-P194 HydrophobicContact CG-CB 3.91Å; F155-P195 HydrophobicContact CE2-CG 4.31Å
156M70.9Confident67.6Low74 Ų7478.3 Ų78.337%0.36541%0.405SS..  trans-64.6136.2177-71.3-172.66800111.4N133 D154 V158N133-M156 WeakPolarHBondContact O-CG 3.13Å; D154-M156 VanDerWaalsContact C-N 3.29Å; D154-M156 WeakPolarHBondContact OD1-CB 3.46Å; D154-M156 WeakPolarHBondContact OD1-CG 3.18Å; D154-M156 PolarHBondContact OD1-N 3.01Å; M156-V158 PolarHBondContact O-N 2.84Å
157Q58.4Low66.4Low135 Ų13580.1 Ų80.163%0.63141%0.411SS*.  trans-79.588.3178.8-162176.739.700110F155 C159 Q169F155-Q157 PolarHBondContact O-N 3.23Å; Q157-C159 PolarHBondContact O-N 3.49Å; Q157-Q169 HydrophobicContact CG-CB 4.17Å; Q157-Q169 HydrophobicContact CG-CG 3.56Å; Q157-Q169 VanDerWaalsContact NE2-NE2 3.18Å
158V53.4Low65Low27 Ų2775.8 Ų75.816%0.16441%0.405CS..  trans-68.5130176.5-179.90000110.8M156 L236M156-V158 PolarHBondContact O-N 2.84Å; V158-L236 VanDerWaalsContact CG1-O 3.25Å; V158-L236 WeakPolarHBondContact CG1-O 2.92Å; V158-L236 VanDerWaalsContact CG2-O 3.24Å; V158-L236 WeakPolarHBondContact CG2-O 3.27Å
159C43.9Very low63.8Low97 Ų9777.4 Ų77.466%0.65541%0.409SS*.  trans-79124.7-175.8-142.90000111Q157 T161Q157-C159 PolarHBondContact O-N 3.49Å; C159-T161 PolarHBondContact O-N 2.96Å
160K39.9Very low63.3Low149 Ų14977 Ų7765%0.64840%0.404SS*.  trans-64.8110-178.5-65.6174.5179.3172.20111.1
161T38.7Very low63.1Low107 Ų10777.1 Ų77.166%0.65640%0.404SS*.  trans-133.3119.3163.7540000111.3C159C159-T161 PolarHBondContact O-N 2.96Å
162S48.3Very low63.1Low113 Ų11374.2 Ų74.279%0.7939%0.392SS*.SBendtrans77.4121.8164.9800000119.8F164S162-F164 VanDerWaalsContact C-N 3.32Å; S162-F164 PolarHBondContact O-N 2.92Å
163A54.3Low63.1Low110 Ų11074.2 Ų74.291%0.90939%0.391SS*.SBendtrans47.5-29.3158.700000122.8R165A163-R165 PolarHBondContact O-N 3.13Å
164F51.7Low63.3Low108 Ų10874.8 Ų74.847%0.47440%0.395SS..  trans-9887.2175.1-159.7-90.6000109.9S162 M166 F167S162-F164 VanDerWaalsContact C-N 3.32Å; S162-F164 PolarHBondContact O-N 2.92Å; F164-M166 HydrophobicContact CD1-CB 4.03Å; F164-M166 HydrophobicContact CE1-CB 3.79Å; F164-M166 PolarHBondContact O-N 3.45Å; F164-F167 HydrophobicContact CB-CD2 4.12Å; F164-F167 HydrophobicContact CB-CE2 3.58Å; F164-F167 HydrophobicContact CB-CZ 4.26Å; F164-F167 HydrophobicContact CD1-CD1 4.21Å; F164-F167 AromaticContact CD1-CD2 3.81Å; F164-F167 HydrophobicContact CD1-CD2 3.81Å; F164-F167 AromaticContact CD1-CE1 3.59Å; F164-F167 HydrophobicContact CD1-CE1 3.59Å; F164-F167 AromaticContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CG 4.3Å; F164-F167 AromaticContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CE1-CD1 4.48Å; F164-F167 AromaticContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE2 4.07Å; F164-F167 AromaticContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CE1-CZ 3.44Å; F164-F167 VanDerWaalsContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CG-CD2 4.42Å; F164-F167 AromaticContact CG-CE2 3.68Å; F164-F167 HydrophobicContact CG-CE2 3.68Å; F164-F167 AromaticContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CZ-CZ 4.49Å; F164-F167 WeakPolarHBondContact O-CD2 3.29Å
165R48.8Very low63.6Low253 Ų25376.4 Ų76.496%0.95540%0.402SS*.THydrogen-bonded Turntrans-68.615.2-169.4-107.5179.771.3171.72116.3A163A163-R165 PolarHBondContact O-N 3.13Å
166M52.9Low64.1Low115 Ų11576.8 Ų76.857%0.56740%0.404SS*.THydrogen-bonded Turntrans-104.2-4.9-176.2-147.5151.3159.300114.2F164 S168F164-M166 HydrophobicContact CD1-CB 4.03Å; F164-M166 HydrophobicContact CE1-CB 3.79Å; F164-M166 PolarHBondContact O-N 3.45Å; M166-S168 VanDerWaalsContact C-N 3.34Å; M166-S168 PolarHBondContact O-N 3.01Å; M166-S168 VanDerWaalsContact O-N 3.08Å
167F51.9Low64.9Low78 Ų7877.4 Ų77.434%0.34241%0.408SS..  trans-8873.5179.8-52-49000111F164 W252F164-F167 HydrophobicContact CB-CD2 4.12Å; F164-F167 HydrophobicContact CB-CE2 3.58Å; F164-F167 HydrophobicContact CB-CZ 4.26Å; F164-F167 HydrophobicContact CD1-CD1 4.21Å; F164-F167 AromaticContact CD1-CD2 3.81Å; F164-F167 HydrophobicContact CD1-CD2 3.81Å; F164-F167 AromaticContact CD1-CE1 3.59Å; F164-F167 HydrophobicContact CD1-CE1 3.59Å; F164-F167 AromaticContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CE2 3.19Å; F164-F167 HydrophobicContact CD1-CG 4.3Å; F164-F167 AromaticContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CD1-CZ 3.05Å; F164-F167 HydrophobicContact CE1-CD1 4.48Å; F164-F167 AromaticContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE1 3.66Å; F164-F167 HydrophobicContact CE1-CE2 4.07Å; F164-F167 AromaticContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CE1-CZ 3.44Å; F164-F167 VanDerWaalsContact CE1-CZ 3.44Å; F164-F167 HydrophobicContact CG-CD2 4.42Å; F164-F167 AromaticContact CG-CE2 3.68Å; F164-F167 HydrophobicContact CG-CE2 3.68Å; F164-F167 AromaticContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CG-CZ 3.84Å; F164-F167 HydrophobicContact CZ-CZ 4.49Å; F164-F167 WeakPolarHBondContact O-CD2 3.29Å; F167-W252 AromaticContact CD1-CH2 3.93Å; F167-W252 HydrophobicContact CD1-CH2 3.93Å; F167-W252 AromaticContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CE1-CD2 4.18Å; F167-W252 AromaticContact CE1-CE2 3.4Å; F167-W252 AromaticContact CE1-CH2 3.95Å; F167-W252 HydrophobicContact CE1-CH2 3.95Å; F167-W252 AromaticContact CE1-CZ2 3.29Å; F167-W252 HydrophobicContact CE1-CZ2 3.29Å; F167-W252 AromaticContact CE1-NE1 3.57Å; F167-W252 HydrophobicContact CZ-CZ2 4.17Å; F167-W252 AromaticContact CZ-NE1 3.84Å
168S50.7Low66.3Low66 Ų6676.9 Ų76.946%0.46241%0.409SS..  trans-82.3120.2165.6-67.20000107.6M166M166-S168 VanDerWaalsContact C-N 3.34Å; M166-S168 PolarHBondContact O-N 3.01Å; M166-S168 VanDerWaalsContact O-N 3.08Å
169Q62.3Low67.9Low71 Ų7176.6 Ų76.633%0.33241%0.412SS..SBendtrans13.2125.6148.2-54.5175.22.500113.9Q157Q157-Q169 HydrophobicContact CG-CB 4.17Å; Q157-Q169 HydrophobicContact CG-CG 3.56Å; Q157-Q169 VanDerWaalsContact NE2-NE2 3.18Å
170N77.7Confident70.1Confident9 Ų976.4 Ų76.45%0.04840%0.404CS..  trans78.5116177.8-36.8-70.5000114.6D154 F155 L187 R189D154-N170 VanDerWaalsContact O-CA 3.25Å; D154-N170 WeakPolarHBondContact O-CA 3.44Å; F155-N170 VanDerWaalsContact C-OD1 3.3Å; F155-N170 WeakPolarHBondContact CA-OD1 3.28Å; F155-N170 PolarHBondContact O-OD1 3.35Å; N170-L187 HydrophobicContact CB-CB 3.58Å; N170-L187 HydrophobicContact CB-CD2 3.64Å; N170-L187 HydrophobicContact CB-CG 4.13Å; N170-L187 WeakPolarHBondContact O-CB 3.38Å; N170-L187 PolarHBondContact O-N 3.21Å; N170-R189 VanDerWaalsContact CG-NH2 3.31Å; N170-R189 VanDerWaalsContact ND2-CZ 3.27Å; N170-R189 PolarHBondContact ND2-NE 3.05Å; N170-R189 PolarHBondContact ND2-NH2 3.18Å; N170-R189 PolarHBondContact OD1-NE 3.25Å; N170-R189 PolarHBondContact OD1-NH2 3.44Å
171I86.4Confident72.5Confident13 Ų1372.3 Ų72.37%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-123.1137.4-174.3-61.5175.6000107.9D154 L184 L236 W252D154-I171 PolarHBondContact N-O 3.39Å; D154-I171 PolarHBondContact O-N 2.04Å; I171-L184 HydrophobicContact CG2-CB 4.43Å; I171-L184 HydrophobicContact CG2-CD2 4.07Å; I171-L236 HydrophobicContact CD1-CD2 3.27Å; I171-W252 HydrophobicContact CD1-CH2 4.13Å; I171-W252 HydrophobicContact CG2-CH2 4.49Å
172T89.7Confident75.1Confident1 Ų167.2 Ų67.21%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-100.4122.5162.9-55.70000108.5F151 V152 H153 I174 K185 L187F151-T172 HydrophobicContact CD1-CG2 4.31Å; V152-T172 CarbonylContact O-C 3.45Å; V152-T172 WeakPolarHBondContact O-CA 2.93Å; H153-T172 WeakPolarHBondContact ND1-CG2 3.2Å; H153-T172 PolarHBondContact ND1-OG1 3.12Å; H153-T172 VanDerWaalsContact ND1-OG1 3.15Å; T172-I174 HydrophobicContact CG2-CG1 4.25Å; T172-K185 HydrophobicContact CG2-CG 4.37Å; T172-K185 PolarHBondContact N-O 2.96Å; T172-K185 PolarHBondContact O-N 2.76Å; T172-L187 WeakPolarHBondContact OG1-CD1 3.04Å
173L91.4Very high77.3Confident2 Ų263.7 Ų63.71%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-95.4134.1168.3163.964000109F151 V152 C182 L184 E244 C245F151-L173 CarbonylContact C-O 3.58Å; F151-L173 WeakPolarHBondContact CA-O 3.5Å; V152-L173 HydrophobicContact CB-CB 4.16Å; V152-L173 HydrophobicContact CB-CD2 4.33Å; V152-L173 HydrophobicContact CB-CG 4.44Å; V152-L173 HydrophobicContact CG2-CD2 4.36Å; V152-L173 PolarHBondContact N-O 3.3Å; V152-L173 PolarHBondContact O-N 2.75Å; L173-C182 HydrophobicContact CD1-CB 3.71Å; L173-L184 HydrophobicContact CB-CD2 4.01Å; L173-L184 HydrophobicContact CD1-CD2 3.67Å; L173-L184 HydrophobicContact CG-CD2 4.44Å; L173-E244 HydrophobicContact CD2-CB 3.66Å; L173-E244 HydrophobicContact CD2-CG 4.41Å; L173-C245 WeakPolarHBondContact CD1-SG 3.44Å; L173-C245 VanDerWaalsContact CD2-SG 3.52Å
174I92.4Very high79.1Confident28 Ų2858.4 Ų58.414%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-119.1112.6171.3-49.8174.9000107.1A149 F151 T172 F183 L253A149-I174 HydrophobicContact CB-CG2 4.23Å; F151-I174 HydrophobicContact CD1-CD1 4.16Å; F151-I174 HydrophobicContact CD1-CG1 3.75Å; F151-I174 HydrophobicContact CD1-CG2 4.48Å; F151-I174 HydrophobicContact CE1-CB 4.48Å; F151-I174 HydrophobicContact CE1-CD1 3.58Å; F151-I174 HydrophobicContact CE1-CG1 3.64Å; F151-I174 HydrophobicContact CE1-CG2 4.11Å; F151-I174 HydrophobicContact CE2-CG2 4.32Å; F151-I174 HydrophobicContact CZ-CD1 4.28Å; F151-I174 HydrophobicContact CZ-CG1 4.41Å; F151-I174 HydrophobicContact CZ-CG2 4.03Å; T172-I174 HydrophobicContact CG2-CG1 4.25Å; I174-F183 HydrophobicContact CB-CB 4.3Å; I174-F183 PolarHBondContact N-O 2.76Å; I174-F183 PolarHBondContact O-N 2.98Å; I174-L253 HydrophobicContact CD1-CD1 4.15Å
175K92.4Very high80.8Confident41 Ų4154.7 Ų54.718%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-96.7115.4176.5-169.9179.6-170.81780109.5A149 T150 L177 E244A149-K175 WeakPolarHBondContact CA-O 3.45Å; T150-K175 PolarHBondContact N-O 3.11Å; T150-K175 PolarHBondContact O-N 2.69Å; K175-L177 HydrophobicContact CD-CD2 4.24Å; K175-L177 HydrophobicContact CG-CD2 4.37Å; K175-L177 PolarHBondContact O-N 2.78Å; K175-E244 WeakPolarHBondContact CD-OE2 3.26Å; K175-E244 WeakPolarHBondContact CE-O 3.27Å; K175-E244 PolarHBondContact NZ-O 2.84Å; K175-E244 IonicContact NZ-OE2 2.65Å; K175-E244 PolarHBondContact NZ-OE2 2.86Å
176D90.3Very high82.6Confident16 Ų1645.6 Ų45.69%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-80109.7170178.1-0.7000108.5R147 L178 G179 N180 K181 F183R147-D176 IonicContact NH1-OD2 2.94Å; D176-L178 VanDerWaalsContact C-N 3.33Å; D176-L178 PolarHBondContact O-N 2.99Å; D176-L178 PolarHBondContact OD1-N 3.48Å; D176-G179 VanDerWaalsContact CG-N 3.26Å; D176-G179 PolarHBondContact OD1-N 2.88Å; D176-G179 WeakPolarHBondContact OD2-CA 3.31Å; D176-G179 PolarHBondContact OD2-N 3.4Å; D176-N180 WeakPolarHBondContact O-CA 3.38Å; D176-N180 PolarHBondContact O-N 2.84Å; D176-K181 PolarHBondContact N-O 3.34Å; D176-F183 HydrophobicContact CB-CE2 4.15Å
177L88.3Confident84.1Confident87 Ų8740.9 Ų40.946%0.45522%0.217SC..THydrogen-bonded Turntrans-70.1-30.5-175.8-61179000112.3P148 K175P148-L177 HydrophobicContact CB-CD1 4.23Å; P148-L177 HydrophobicContact CG-CB 4.43Å; P148-L177 PolarHBondContact O-N 3.37Å; K175-L177 HydrophobicContact CD-CD2 4.24Å; K175-L177 HydrophobicContact CG-CD2 4.37Å; K175-L177 PolarHBondContact O-N 2.78Å
178L87.2Confident85.4Confident123 Ų12339.7 Ų39.764%0.64421%0.214SC*.THydrogen-bonded Turntrans-86.3-44.4-179.9-66.9-179.8000111.6R147 P148 D176 N180R147-L178 HydrophobicContact CB-CD1 4.17Å; R147-L178 HydrophobicContact CG-CD1 4.11Å; P148-L178 HydrophobicContact CG-CD1 4.31Å; P148-L178 HydrophobicContact CG-CG 4.05Å; D176-L178 VanDerWaalsContact C-N 3.33Å; D176-L178 PolarHBondContact O-N 2.99Å; D176-L178 PolarHBondContact OD1-N 3.48Å; L178-N180 VanDerWaalsContact C-N 3.26Å; L178-N180 PolarHBondContact O-N 2.8Å
179G86.3Confident86.6Confident21 Ų2142.4 Ų42.422%0.21621%0.214CC..THydrogen-bonded Turntrans-76.7-13.5-179.100000114.1D176 K181D176-G179 VanDerWaalsContact CG-N 3.26Å; D176-G179 PolarHBondContact OD1-N 2.88Å; D176-G179 WeakPolarHBondContact OD2-CA 3.31Å; D176-G179 PolarHBondContact OD2-N 3.4Å; G179-K181 VanDerWaalsContact C-N 3.34Å; G179-K181 WeakPolarHBondContact O-CG 3.04Å; G179-K181 PolarHBondContact O-N 3.39Å; G179-K181 PolarHBondContact O-NZ 2.87Å
180N89.9Confident87.2Confident94 Ų9447.9 Ų47.950%0.50324%0.24SC..THydrogen-bonded Turntrans49.450.2-174-158.529.3000112.6D176 L178 V248D176-N180 WeakPolarHBondContact O-CA 3.38Å; D176-N180 PolarHBondContact O-N 2.84Å; L178-N180 VanDerWaalsContact C-N 3.26Å; L178-N180 PolarHBondContact O-N 2.8Å; N180-V248 VanDerWaalsContact OD1-CG1 3.28Å; N180-V248 WeakPolarHBondContact OD1-CG1 3.39Å
181K91.9Very high87Confident63 Ų6351.7 Ų51.727%0.27426%0.259SS..EExtended strand (participates in β ladder)trans-130.8152179.2-58-172.6-94.5-650110.1D176 G179 F183 P249 Y251D176-K181 PolarHBondContact N-O 3.34Å; G179-K181 VanDerWaalsContact C-N 3.34Å; G179-K181 WeakPolarHBondContact O-CG 3.04Å; G179-K181 PolarHBondContact O-N 3.39Å; G179-K181 PolarHBondContact O-NZ 2.87Å; K181-F183 HydrophobicContact CB-CE2 4.13Å; K181-F183 HydrophobicContact CB-CZ 4.15Å; K181-P249 HydrophobicContact CD-CG 4.37Å; K181-P249 HydrophobicContact CG-CG 3.89Å; K181-Y251 HydrophobicContact CD-CE2 3.95Å
182C93.3Very high86.5Confident0 Ų052.7 Ų52.70%027%0.266CS..EExtended strand (participates in β ladder)trans-109.5139.6173-77.10000111L173 C245 V248 P249 T250 Y251L173-C182 HydrophobicContact CD1-CB 3.71Å; C182-C245 HydrophobicContact CB-CB 3.76Å; C182-C245 WeakPolarHBondContact CB-SG 3.45Å; C182-C245 WeakPolarHBondContact SG-CA 3.29Å; C182-C245 WeakPolarHBondContact SG-CB 3.39Å; C182-C245 CovalentContact SG-SG 2.04Å; C182-C245 PolarHBondContact SG-SG 2.95Å; C182-V248 HydrophobicContact CB-CG2 4.31Å; C182-V248 VanDerWaalsContact SG-CG2 3.57Å; C182-P249 PolarHBondContact N-O 2.67Å; C182-P249 VanDerWaalsContact N-O 3.12Å; C182-T250 HydrophobicContact CB-CG2 3.8Å; C182-T250 CarbonylContact O-C 3.53Å; C182-T250 VanDerWaalsContact O-CA 3.31Å; C182-T250 WeakPolarHBondContact O-CA 3.17Å; C182-Y251 PolarHBondContact O-N 2.8Å
183F93.1Very high85.8Confident38 Ų3855.1 Ų55.117%0.16729%0.286CS..EExtended strand (participates in β ladder)trans-122.4129.1173.5-56.8-81.4000109.2I174 D176 K181 V223 Y251 L253I174-F183 HydrophobicContact CB-CB 4.3Å; I174-F183 PolarHBondContact N-O 2.76Å; I174-F183 PolarHBondContact O-N 2.98Å; D176-F183 HydrophobicContact CB-CE2 4.15Å; K181-F183 HydrophobicContact CB-CE2 4.13Å; K181-F183 HydrophobicContact CB-CZ 4.15Å; F183-V223 HydrophobicContact CD1-CG2 4.39Å; F183-V223 HydrophobicContact CE1-CG2 4Å; F183-Y251 CarbonylContact C-O 3.52Å; F183-Y251 WeakPolarHBondContact CA-O 3.18Å; F183-Y251 HydrophobicContact CD1-CD2 4.46Å; F183-Y251 HydrophobicContact CE1-CD2 4.16Å; F183-L253 HydrophobicContact CB-CD1 3.83Å; F183-L253 HydrophobicContact CB-CD2 4.16Å; F183-L253 HydrophobicContact CB-CG 3.91Å; F183-L253 HydrophobicContact CD1-CD2 3.91Å; F183-L253 HydrophobicContact CG-CD2 4.36Å
184L91.7Very high85Confident0 Ų058 Ų580%031%0.305CS..EExtended strand (participates in β ladder)trans-109.1136-179.6-58.9178.9000109.6I171 L173 L228 L236 V241 T250 Y251 W252 L253I171-L184 HydrophobicContact CG2-CB 4.43Å; I171-L184 HydrophobicContact CG2-CD2 4.07Å; L173-L184 HydrophobicContact CB-CD2 4.01Å; L173-L184 HydrophobicContact CD1-CD2 3.67Å; L173-L184 HydrophobicContact CG-CD2 4.44Å; L184-L228 HydrophobicContact CD1-CD1 4.35Å; L184-L236 HydrophobicContact CD1-CD1 3.96Å; L184-V241 HydrophobicContact CD1-CG1 4.45Å; L184-V241 HydrophobicContact CD2-CG1 4Å; L184-V241 HydrophobicContact CD2-CG2 4.35Å; L184-T250 HydrophobicContact CD1-CG2 3.63Å; L184-T250 HydrophobicContact CD2-CG2 4.35Å; L184-T250 HydrophobicContact CG-CG2 3.67Å; L184-Y251 PolarHBondContact N-O 2.83Å; L184-W252 HydrophobicContact CB-CD2 3.93Å; L184-W252 HydrophobicContact CB-CE3 3.47Å; L184-W252 VanDerWaalsContact CB-CE3 3.47Å; L184-W252 HydrophobicContact CB-CH2 3.84Å; L184-W252 HydrophobicContact CB-CZ2 4.25Å; L184-W252 HydrophobicContact CB-CZ3 3.44Å; L184-W252 VanDerWaalsContact CB-CZ3 3.44Å; L184-W252 HydrophobicContact CD1-CD2 4.47Å; L184-W252 HydrophobicContact CD1-CH2 4Å; L184-W252 HydrophobicContact CD1-CZ2 3.78Å; L184-W252 HydrophobicContact CD1-CZ3 4.44Å; L184-L253 WeakPolarHBondContact O-CB 3.28Å; L184-L253 PolarHBondContact O-N 3.35Å
185K88.4Confident83.8Confident29 Ų2957.6 Ų57.613%0.12630%0.304CS..EExtended strand (participates in β ladder)trans-136.8156.8168.172.3177.9-161.988.90110.6T172 L187 E219 F221 L253T172-K185 HydrophobicContact CG2-CG 4.37Å; T172-K185 PolarHBondContact N-O 2.96Å; T172-K185 PolarHBondContact O-N 2.76Å; K185-L187 PolarHBondContact O-N 3.05Å; K185-E219 IonicContact NZ-OE2 2.69Å; K185-F221 HydrophobicContact CD-CE2 4.07Å; K185-F221 HydrophobicContact CD-CZ 3.93Å; K185-L253 HydrophobicContact CB-CB 4.13Å; K185-L253 HydrophobicContact CB-CD1 4.39Å
186P86.6Confident82.6Confident63 Ų6359 Ų5941%0.40932%0.319SS..EExtended strand (participates in β ladder)trans-57.6136.7166.7-21.533.5000110.7
187L84.1Confident81.3Confident15 Ų1562.5 Ų62.58%0.07934%0.338CS..  trans-77131.4173.1-179.870.1000109.5H153 F155 N170 T172 K185 V192H153-L187 HydrophobicContact CB-CD1 4.13Å; H153-L187 HydrophobicContact CB-CD2 4.43Å; H153-L187 VanDerWaalsContact ND1-CD1 3.3Å; H153-L187 WeakPolarHBondContact ND1-CD1 3.34Å; F155-L187 HydrophobicContact CD1-CD2 3.4Å; F155-L187 VanDerWaalsContact CD1-CD2 3.4Å; F155-L187 HydrophobicContact CE1-CD2 3.44Å; F155-L187 VanDerWaalsContact CE1-CD2 3.44Å; F155-L187 HydrophobicContact CG-CD2 4.2Å; F155-L187 HydrophobicContact CZ-CD2 4.25Å; N170-L187 HydrophobicContact CB-CB 3.58Å; N170-L187 HydrophobicContact CB-CD2 3.64Å; N170-L187 HydrophobicContact CB-CG 4.13Å; N170-L187 WeakPolarHBondContact O-CB 3.38Å; N170-L187 PolarHBondContact O-N 3.21Å; T172-L187 WeakPolarHBondContact OG1-CD1 3.04Å; K185-L187 PolarHBondContact O-N 3.05Å; L187-V192 HydrophobicContact CD1-CB 3.98Å; L187-V192 HydrophobicContact CD1-CG1 4.23Å; L187-V192 HydrophobicContact CD1-CG2 4.31Å
188D79.4Confident80.2Confident53 Ų5360 Ų6028%0.28332%0.324SS..  trans-89.8111.4172.2-167.3-19.8000109.7E190 I191 V192D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 WeakPolarHBondContact OD1-CB 3.44Å; D188-E190 PolarHBondContact OD1-N 2.66Å; D188-I191 HydrophobicContact CB-CB 4.44Å; D188-I191 HydrophobicContact CB-CD1 4.18Å; D188-I191 HydrophobicContact CB-CG1 4.3Å; D188-I191 PolarHBondContact O-N 2.98Å; D188-I191 WeakPolarHBondContact OD2-CD1 3.42Å; D188-V192 PolarHBondContact O-N 3.2Å
189R75.9Confident79.3Confident123 Ų12359.3 Ų59.346%0.46432%0.32SS..THydrogen-bonded Turntrans-78.2-12.4-180-75.2-167.9170.6-162.14113.8N170 I191 V192N170-R189 VanDerWaalsContact CG-NH2 3.31Å; N170-R189 VanDerWaalsContact ND2-CZ 3.27Å; N170-R189 PolarHBondContact ND2-NE 3.05Å; N170-R189 PolarHBondContact ND2-NH2 3.18Å; N170-R189 PolarHBondContact OD1-NE 3.25Å; N170-R189 PolarHBondContact OD1-NH2 3.44Å; R189-I191 VanDerWaalsContact C-N 3.3Å; R189-V192 WeakPolarHBondContact CA-O 3.36Å
190E74Confident78.5Confident187 Ų18760.3 Ų60.387%0.87432%0.321SS*.THydrogen-bonded Turntrans-74.8-30173.7-60.2-172.6177.300110.7D188D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 WeakPolarHBondContact OD1-CB 3.44Å; D188-E190 PolarHBondContact OD1-N 2.66Å
191I74.8Confident77.6Confident88 Ų8857.6 Ų57.645%0.45131%0.306SS..THydrogen-bonded Turntrans-96.1-43-177.5-54.6177.1000111D188 R189 V217D188-I191 HydrophobicContact CB-CB 4.44Å; D188-I191 HydrophobicContact CB-CD1 4.18Å; D188-I191 HydrophobicContact CB-CG1 4.3Å; D188-I191 PolarHBondContact O-N 2.98Å; D188-I191 WeakPolarHBondContact OD2-CD1 3.42Å; R189-I191 VanDerWaalsContact C-N 3.3Å; I191-V217 HydrophobicContact CD1-CG1 3.73Å; I191-V217 HydrophobicContact CD1-CG2 4.23Å; I191-V217 HydrophobicContact CG2-CG2 4.34Å
192V75.8Confident76.7Confident34 Ų3458.9 Ų58.921%0.20631%0.314CS..SBendtrans-117.3109.2-174.9-172.90000109.8F155 L187 D188 R189F155-V192 HydrophobicContact CE1-CG1 4.05Å; F155-V192 HydrophobicContact CZ-CG1 3.78Å; L187-V192 HydrophobicContact CD1-CB 3.98Å; L187-V192 HydrophobicContact CD1-CG1 4.23Å; L187-V192 HydrophobicContact CD1-CG2 4.31Å; D188-V192 PolarHBondContact O-N 3.2Å; R189-V192 WeakPolarHBondContact CA-O 3.36Å
193A74.2Confident75.6Confident53 Ų5365 Ų6544%0.43834%0.343SS..PPolyproline II helixtrans-86.5145.1178.900000111.4
194P74.2Confident74.7Confident63 Ų6365.9 Ų65.941%0.40935%0.346SS..PPolyproline II helixtrans-64.7143.5176.727.1-34.1000111.5F155 S196F155-P194 HydrophobicContact CB-CB 4.29Å; F155-P194 HydrophobicContact CD1-CB 3.7Å; F155-P194 HydrophobicContact CD2-CB 4.45Å; F155-P194 VanDerWaalsContact CE1-CA 3.48Å; F155-P194 HydrophobicContact CE1-CB 4.06Å; F155-P194 HydrophobicContact CG-CB 3.91Å; P194-S196 PolarHBondContact O-N 3.29Å
195P67.5Low73.7Confident18 Ų1870 Ų7012%0.11737%0.368CS..PPolyproline II helixtrans-70.4120.6176.526.9-32.4000110.2V129 F155V129-P195 HydrophobicContact CG1-CB 3.37Å; V129-P195 HydrophobicContact CG1-CG 3.57Å; F155-P195 HydrophobicContact CE2-CG 4.31Å
196S66.9Low73Confident70 Ų7073 Ų7349%0.4940%0.398SS..SBendtrans-84.5-47.1173.382.20000110.8P194 D200P194-S196 PolarHBondContact O-N 3.29Å; S196-D200 PolarHBondContact OG-OD2 3.26Å
197N63.3Low72.5Confident91 Ų9174.1 Ų74.149%0.48741%0.407SS..  trans-159.6142.1178.5-79.7-44.4000109I199 D200 L201N197-I199 PolarHBondContact O-N 2.78Å; N197-D200 HydrophobicContact CB-CB 3.96Å; N197-D200 PolarHBondContact O-N 2.82Å; N197-L201 PolarHBondContact O-N 2.84Å
198L65.9Low71.7Confident33 Ų3374.4 Ų74.417%0.17341%0.414CS..Hα-helixtrans-58.7-39.817318076.6000111.2F104 D200 L201 M202F104-L198 HydrophobicContact CB-CB 3.67Å; F104-L198 HydrophobicContact CB-CD1 4.03Å; F104-L198 HydrophobicContact CB-CD2 3.73Å; F104-L198 HydrophobicContact CB-CG 3.96Å; F104-L198 HydrophobicContact CD1-CB 3.51Å; F104-L198 HydrophobicContact CD1-CD2 3.37Å; F104-L198 HydrophobicContact CD1-CG 4Å; F104-L198 HydrophobicContact CD2-CB 3.65Å; F104-L198 HydrophobicContact CE1-CB 3.97Å; F104-L198 HydrophobicContact CE1-CD2 4.19Å; F104-L198 HydrophobicContact CE2-CB 4.08Å; F104-L198 HydrophobicContact CG-CB 3.32Å; F104-L198 HydrophobicContact CG-CD2 3.78Å; F104-L198 HydrophobicContact CG-CG 4.01Å; F104-L198 HydrophobicContact CZ-CB 4.24Å; L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 PolarHBondContact O-N 2.9Å; L198-L201 HydrophobicContact CD1-CD2 4.43Å; L198-L201 WeakPolarHBondContact O-CB 3.27Å; L198-L201 PolarHBondContact O-N 3.06Å; L198-M202 HydrophobicContact CD1-CE 3.85Å; L198-M202 HydrophobicContact CD1-CG 4.29Å; L198-M202 HydrophobicContact CG-CG 4.1Å; L198-M202 WeakPolarHBondContact O-CB 3.4Å; L198-M202 VanDerWaalsContact O-CG 3.31Å; L198-M202 WeakPolarHBondContact O-CG 3.47Å; L198-M202 PolarHBondContact O-N 3.12Å
199I68.8Low70.9Confident110 Ų11080 Ų8056%0.56443%0.432SS*.Hα-helixtrans-60.8-43.9179.6-59.5174.1000110.3N197 L201 M202 E203N197-I199 PolarHBondContact O-N 2.78Å; I199-L201 PolarHBondContact O-N 2.86Å; I199-M202 PolarHBondContact O-N 2.9Å; I199-E203 HydrophobicContact CG2-CG 4.45Å; I199-E203 WeakPolarHBondContact O-CB 3.23Å; I199-E203 WeakPolarHBondContact O-CG 3.29Å; I199-E203 PolarHBondContact O-N 2.81Å
200D69.5Low70Confident42 Ų4277.8 Ų77.823%0.22542%0.424CS..Hα-helixtrans-64.1-40175.5177.557.2000111.6S196 N197 L198 K204S196-D200 PolarHBondContact OG-OD2 3.26Å; N197-D200 HydrophobicContact CB-CB 3.96Å; N197-D200 PolarHBondContact O-N 2.82Å; L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 PolarHBondContact O-N 2.9Å; D200-K204 VanDerWaalsContact CG-NZ 3.27Å; D200-K204 VanDerWaalsContact O-CB 3.29Å; D200-K204 WeakPolarHBondContact O-CB 3.48Å; D200-K204 WeakPolarHBondContact O-CD 3.26Å; D200-K204 VanDerWaalsContact O-CG 3.23Å; D200-K204 WeakPolarHBondContact O-CG 3.26Å; D200-K204 PolarHBondContact O-N 3.01Å; D200-K204 WeakPolarHBondContact OD1-CE 3.48Å; D200-K204 IonicContact OD1-NZ 3.9Å; D200-K204 PolarHBondContact OD1-NZ 2.92Å; D200-K204 VanDerWaalsContact OD1-NZ 3.11Å; D200-K204 IonicContact OD2-NZ 3.61Å; D200-K204 PolarHBondContact OD2-NZ 2.78Å
201L70.4Confident69Low36 Ų3676.2 Ų76.219%0.18842%0.417CS..Hα-helixtrans-61.2-49174.2178.761.9000111.5N197 L198 I199 K204 L205 Y210N197-L201 PolarHBondContact O-N 2.84Å; L198-L201 HydrophobicContact CD1-CD2 4.43Å; L198-L201 WeakPolarHBondContact O-CB 3.27Å; L198-L201 PolarHBondContact O-N 3.06Å; I199-L201 PolarHBondContact O-N 2.86Å; L201-K204 PolarHBondContact O-N 2.78Å; L201-L205 HydrophobicContact CD1-CD1 4.12Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 3.95Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.25Å; L201-L205 PolarHBondContact O-N 3.15Å; L201-Y210 HydrophobicContact CD1-CD2 3.89Å; L201-Y210 HydrophobicContact CD1-CE2 3.55Å
202M72.8Confident68Low91 Ų9176.9 Ų76.945%0.44843%0.427SS..Hα-helixtrans-65.1-42.9179.8-69.6-64.4123.300111.9L198 I199 K204 L205 A206L198-M202 HydrophobicContact CD1-CE 3.85Å; L198-M202 HydrophobicContact CD1-CG 4.29Å; L198-M202 HydrophobicContact CG-CG 4.1Å; L198-M202 WeakPolarHBondContact O-CB 3.4Å; L198-M202 VanDerWaalsContact O-CG 3.31Å; L198-M202 WeakPolarHBondContact O-CG 3.47Å; L198-M202 PolarHBondContact O-N 3.12Å; I199-M202 PolarHBondContact O-N 2.9Å; M202-K204 VanDerWaalsContact C-N 3.35Å; M202-K204 PolarHBondContact O-N 3.42Å; M202-L205 HydrophobicContact CE-CD1 3.71Å; M202-L205 PolarHBondContact O-N 3.02Å; M202-L205 HydrophobicContact SD-CD1 4.39Å; M202-A206 VanDerWaalsContact O-CB 3.26Å; M202-A206 WeakPolarHBondContact O-CB 3.41Å; M202-A206 PolarHBondContact O-N 2.84Å
203E70.9Confident66.8Low128 Ų12884.4 Ų84.460%0.59846%0.457SS*.Hα-helixtrans-60.6-44.4175.4-79.3-179.4-174.800111.5I199 A206 S207I199-E203 HydrophobicContact CG2-CG 4.45Å; I199-E203 WeakPolarHBondContact O-CB 3.23Å; I199-E203 WeakPolarHBondContact O-CG 3.29Å; I199-E203 PolarHBondContact O-N 2.81Å; E203-A206 PolarHBondContact O-N 3.47Å; E203-S207 VanDerWaalsContact O-CB 3.26Å; E203-S207 WeakPolarHBondContact O-CB 3.47Å; E203-S207 PolarHBondContact O-N 3.45Å; E203-S207 PolarHBondContact O-OG 2.96Å
204K72.8Confident65.8Low56 Ų5686.5 Ų86.524%0.24347%0.466CS..Hα-helixtrans-72.2-29.8178.4-74.1171.1175.3163.50113.5D200 L201 M202 S207 G208 Y209 Y210D200-K204 VanDerWaalsContact CG-NZ 3.27Å; D200-K204 VanDerWaalsContact O-CB 3.29Å; D200-K204 WeakPolarHBondContact O-CB 3.48Å; D200-K204 WeakPolarHBondContact O-CD 3.26Å; D200-K204 VanDerWaalsContact O-CG 3.23Å; D200-K204 WeakPolarHBondContact O-CG 3.26Å; D200-K204 PolarHBondContact O-N 3.01Å; D200-K204 WeakPolarHBondContact OD1-CE 3.48Å; D200-K204 IonicContact OD1-NZ 3.9Å; D200-K204 PolarHBondContact OD1-NZ 2.92Å; D200-K204 VanDerWaalsContact OD1-NZ 3.11Å; D200-K204 IonicContact OD2-NZ 3.61Å; D200-K204 PolarHBondContact OD2-NZ 2.78Å; L201-K204 PolarHBondContact O-N 2.78Å; M202-K204 VanDerWaalsContact C-N 3.35Å; M202-K204 PolarHBondContact O-N 3.42Å; K204-S207 PolarHBondContact O-OG 2.86Å; K204-G208 PolarHBondContact O-N 3.45Å; K204-Y209 HydrophobicContact CB-CD1 4.32Å; K204-Y209 HydrophobicContact CD-CD1 4.14Å; K204-Y209 HydrophobicContact CG-CD1 4.17Å; K204-Y209 HydrophobicContact CG-CG 4.43Å; K204-Y209 WeakPolarHBondContact O-CB 3.43Å; K204-Y209 PolarHBondContact O-N 2.94Å; K204-Y210 HydrophobicContact CB-CD2 3.21Å; K204-Y210 HydrophobicContact CB-CE2 3.18Å; K204-Y210 HydrophobicContact CB-CG 4.24Å; K204-Y210 HydrophobicContact CD-CD2 4.24Å; K204-Y210 HydrophobicContact CD-CE2 3.38Å; K204-Y210 HydrophobicContact CG-CD2 4.36Å; K204-Y210 HydrophobicContact CG-CE2 3.93Å; K204-Y210 PolarHBondContact O-N 3.09Å; K204-Y210 VanDerWaalsContact O-N 3.1Å
205L71.5Confident64.8Low87 Ų8787.5 Ų87.546%0.45548%0.475SS..Hα-helixtrans-67.8-49170.2-77166.8000110L201 M202 S207 G208 Y210L201-L205 HydrophobicContact CD1-CD1 4.12Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 3.95Å; L201-L205 WeakPolarHBondContact O-CB 3.36Å; L201-L205 VanDerWaalsContact O-CG 3.27Å; L201-L205 WeakPolarHBondContact O-CG 3.25Å; L201-L205 PolarHBondContact O-N 3.15Å; M202-L205 HydrophobicContact CE-CD1 3.71Å; M202-L205 PolarHBondContact O-N 3.02Å; M202-L205 HydrophobicContact SD-CD1 4.39Å; L205-S207 VanDerWaalsContact C-N 3.35Å; L205-S207 PolarHBondContact O-N 3.1Å; L205-G208 PolarHBondContact O-N 3.01Å; L205-Y210 HydrophobicContact CD2-CD2 4.4Å; L205-Y210 HydrophobicContact CD2-CG 4.5Å; L205-Y210 HydrophobicContact CG-CD2 4.13Å
206A73Confident64.3Low91 Ų9193 Ų9375%0.75250%0.502SS*.Hα-helixtrans-64.1-3717900000112.7M202 E203 G208M202-A206 VanDerWaalsContact O-CB 3.26Å; M202-A206 WeakPolarHBondContact O-CB 3.41Å; M202-A206 PolarHBondContact O-N 2.84Å; E203-A206 PolarHBondContact O-N 3.47Å; A206-G208 PolarHBondContact O-N 3.33Å
207S76.9Confident64Low87 Ų8793.1 Ų93.161%0.60850%0.499SS*.THydrogen-bonded Turntrans-74.5-6.5175.382.30000113E203 K204 L205 Y209E203-S207 VanDerWaalsContact O-CB 3.26Å; E203-S207 WeakPolarHBondContact O-CB 3.47Å; E203-S207 PolarHBondContact O-N 3.45Å; E203-S207 PolarHBondContact O-OG 2.96Å; K204-S207 PolarHBondContact O-OG 2.86Å; L205-S207 VanDerWaalsContact C-N 3.35Å; L205-S207 PolarHBondContact O-N 3.1Å; S207-Y209 PolarHBondContact O-N 3.06Å; S207-Y209 WeakPolarHBondContact OG-CB 3.3Å; S207-Y209 PolarHBondContact OG-N 3.49Å
208G66.4Low64.4Low21 Ų2195.8 Ų95.822%0.21650%0.502CS..THydrogen-bonded Turntrans66.616.3-172.600000114K204 L205 A206 Y210 Q211K204-G208 PolarHBondContact O-N 3.45Å; L205-G208 PolarHBondContact O-N 3.01Å; A206-G208 PolarHBondContact O-N 3.33Å; G208-Y210 PolarHBondContact O-N 3.48Å; G208-Q211 VanDerWaalsContact O-CB 3.26Å; G208-Q211 WeakPolarHBondContact O-CB 3.38Å; G208-Q211 VanDerWaalsContact O-CG 3.27Å; G208-Q211 WeakPolarHBondContact O-CG 3.25Å; G208-Q211 PolarHBondContact O-N 2.84Å
209Y64.5Low64.9Low172 Ų17298.3 Ų98.368%0.67551%0.513SS*.THydrogen-bonded Turntrans-64-37.8173.4-177.2-92.4000110.6K204 S207 Q211K204-Y209 HydrophobicContact CB-CD1 4.32Å; K204-Y209 HydrophobicContact CD-CD1 4.14Å; K204-Y209 HydrophobicContact CG-CD1 4.17Å; K204-Y209 HydrophobicContact CG-CG 4.43Å; K204-Y209 WeakPolarHBondContact O-CB 3.43Å; K204-Y209 PolarHBondContact O-N 2.94Å; S207-Y209 PolarHBondContact O-N 3.06Å; S207-Y209 WeakPolarHBondContact OG-CB 3.3Å; S207-Y209 PolarHBondContact OG-N 3.49Å; Y209-Q211 PolarHBondContact O-N 3.41Å
210Y55.9Low65.4Low75 Ų7597.2 Ų97.229%0.29451%0.509SS..THydrogen-bonded Turntrans-8725.4168.3-69.3-59.8000112.7L201 K204 L205 G208 P212L201-Y210 HydrophobicContact CD1-CD2 3.89Å; L201-Y210 HydrophobicContact CD1-CE2 3.55Å; K204-Y210 HydrophobicContact CB-CD2 3.21Å; K204-Y210 HydrophobicContact CB-CE2 3.18Å; K204-Y210 HydrophobicContact CB-CG 4.24Å; K204-Y210 HydrophobicContact CD-CD2 4.24Å; K204-Y210 HydrophobicContact CD-CE2 3.38Å; K204-Y210 HydrophobicContact CG-CD2 4.36Å; K204-Y210 HydrophobicContact CG-CE2 3.93Å; K204-Y210 PolarHBondContact O-N 3.09Å; K204-Y210 VanDerWaalsContact O-N 3.1Å; L205-Y210 HydrophobicContact CD2-CD2 4.4Å; L205-Y210 HydrophobicContact CD2-CG 4.5Å; L205-Y210 HydrophobicContact CG-CD2 4.13Å; G208-Y210 PolarHBondContact O-N 3.48Å; Y210-P212 VanDerWaalsContact C-N 3.33Å; Y210-P212 WeakPolarHBondContact O-CD 3.31Å
211Q53.9Low66.2Low154 Ų15498.1 Ų98.172%0.7251%0.511SS*.  trans-52.3108.1164.4-87.8-179.71900105.8G208 Y209 K213G208-Q211 VanDerWaalsContact O-CB 3.26Å; G208-Q211 WeakPolarHBondContact O-CB 3.38Å; G208-Q211 VanDerWaalsContact O-CG 3.27Å; G208-Q211 WeakPolarHBondContact O-CG 3.25Å; G208-Q211 PolarHBondContact O-N 2.84Å; Y209-Q211 PolarHBondContact O-N 3.41Å; Q211-K213 PolarHBondContact O-N 3.26Å
212P51.9Low66.9Low102 Ų10298.9 Ų98.966%0.66252%0.519SS*.  trans-62.6121.1173.412.1-1.8000101.6Y210 P214Y210-P212 VanDerWaalsContact C-N 3.33Å; Y210-P212 WeakPolarHBondContact O-CD 3.31Å; P212-P214 VanDerWaalsContact C-CD 3.44Å; P212-P214 WeakPolarHBondContact O-CD 3.41Å
213K52.3Low67.6Low192 Ų19297.8 Ų97.884%0.83552%0.517SS*.  trans-64107.3137.1-71.8178.1-177.3173.40101Q211 S215Q211-K213 PolarHBondContact O-N 3.26Å; K213-S215 PolarHBondContact O-N 3.28Å
214P51.4Low68.2Low98 Ų9895.8 Ų95.864%0.63651%0.508SS*.  trans-65.474.9161.532.4-35.3000104.4P212 I216P212-P214 VanDerWaalsContact C-CD 3.44Å; P212-P214 WeakPolarHBondContact O-CD 3.41Å; P214-I216 PolarHBondContact O-N 3.03Å
215S54.4Low68.8Low83 Ų8399.1 Ų99.158%0.5853%0.528SS*.  trans-54.4111.5148.755.30000101.6K213 V217K213-S215 PolarHBondContact O-N 3.28Å; S215-V217 WeakPolarHBondContact O-CG2 3.4Å; S215-V217 PolarHBondContact O-N 3.36Å
216I56.5Low69.6Low135 Ų135100 Ų10069%0.69254%0.539SS*.  trans-54.196.2177.3-66.5162.5000105.2P214 R218P214-I216 PolarHBondContact O-N 3.03Å; I216-R218 HydrophobicContact CG2-CB 3.77Å; I216-R218 PolarHBondContact O-N 3.44Å
217V61.8Low70.3Confident71 Ų7197.3 Ų97.343%0.4352%0.517SS..  trans-8262.8178.9-172.10000105.5I191 S215 E219I191-V217 HydrophobicContact CD1-CG1 3.73Å; I191-V217 HydrophobicContact CD1-CG2 4.23Å; I191-V217 HydrophobicContact CG2-CG2 4.34Å; S215-V217 WeakPolarHBondContact O-CG2 3.4Å; S215-V217 PolarHBondContact O-N 3.36Å; V217-E219 HydrophobicContact CG1-CG 4.02Å; V217-E219 PolarHBondContact O-N 3.3Å
218R70.6Confident70.8Confident147 Ų14794 Ų9456%0.55549%0.492SS*.  trans-85.899.7174.5-170.1171.677.6172.24.5107I216 E288I216-R218 HydrophobicContact CG2-CB 3.77Å; I216-R218 PolarHBondContact O-N 3.44Å; R218-E288 VanDerWaalsContact NH1-CD 3.28Å; R218-E288 IonicContact NH1-OE1 3.11Å; R218-E288 PolarHBondContact NH1-OE1 3.29Å; R218-E288 IonicContact NH1-OE2 2.94Å; R218-E288 PolarHBondContact NH1-OE2 3.2Å
219E76.3Confident71.8Confident86 Ų8699.8 Ų99.840%0.40251%0.511SS..  trans-105.3130.6175.2-66.2-179.4155.800109.5K185 V217 F221K185-E219 IonicContact NZ-OE2 2.69Å; V217-E219 HydrophobicContact CG1-CG 4.02Å; V217-E219 PolarHBondContact O-N 3.3Å; E219-F221 HydrophobicContact CB-CD2 4.08Å; E219-F221 HydrophobicContact CB-CE2 3.37Å; E219-F221 HydrophobicContact CB-CZ 3.94Å; E219-F221 HydrophobicContact CG-CE2 4.37Å; E219-F221 VanDerWaalsContact OE2-CE2 3.27Å; E219-F221 WeakPolarHBondContact OE2-CE2 3.41Å; E219-F221 WeakPolarHBondContact OE2-CZ 3.3Å
220N80.6Confident72.7Confident88 Ų8895.9 Ų95.947%0.47151%0.509SS..  trans-94126.3173.9-69.9-37.6000109.4V256N220-V256 HydrophobicContact CB-CB 4.16Å; N220-V256 HydrophobicContact CB-CG2 4.4Å; N220-V256 PolarHBondContact O-N 2.88Å
221F85.1Confident73.9Confident61 Ų6199.5 Ų99.527%0.26853%0.528SS..EExtended strand (participates in β ladder)trans-119.5144.7177.2-69-83.8000111.1K185 E219 L253 V254 P255K185-F221 HydrophobicContact CD-CE2 4.07Å; K185-F221 HydrophobicContact CD-CZ 3.93Å; E219-F221 HydrophobicContact CB-CD2 4.08Å; E219-F221 HydrophobicContact CB-CE2 3.37Å; E219-F221 HydrophobicContact CB-CZ 3.94Å; E219-F221 HydrophobicContact CG-CE2 4.37Å; E219-F221 VanDerWaalsContact OE2-CE2 3.27Å; E219-F221 WeakPolarHBondContact OE2-CE2 3.41Å; E219-F221 WeakPolarHBondContact OE2-CZ 3.3Å; F221-L253 HydrophobicContact CB-CB 3.93Å; F221-L253 HydrophobicContact CB-CD1 4.29Å; F221-L253 HydrophobicContact CB-CD2 4.13Å; F221-L253 HydrophobicContact CB-CG 4.34Å; F221-L253 HydrophobicContact CD1-CB 3.81Å; F221-L253 HydrophobicContact CG-CB 4Å; F221-L253 HydrophobicContact CG-CD1 4.35Å; F221-V254 CarbonylContact C-O 3.58Å; F221-V254 WeakPolarHBondContact CA-O 2.89Å; F221-P255 HydrophobicContact CD1-CB 4.27Å; F221-P255 HydrophobicContact CE1-CB 3.98Å
222S84.8Confident75.3Confident52 Ų5296.1 Ų96.136%0.36451%0.513SS..EExtended strand (participates in β ladder)trans-103.2147.8165.4620000110.3L253 V254S222-L253 WeakPolarHBondContact O-CA 3.37Å; S222-V254 PolarHBondContact N-O 3.4Å; S222-V254 PolarHBondContact O-N 2.93Å; S222-V254 PolarHBondContact OG-O 2.82Å
223V87.3Confident76.7Confident67 Ų6791.9 Ų91.941%0.40648%0.484SS..EExtended strand (participates in β ladder)trans-78.7123.3176.8-176.20000109F183 Y251 L253F183-V223 HydrophobicContact CD1-CG2 4.39Å; F183-V223 HydrophobicContact CE1-CG2 4Å; V223-Y251 VanDerWaalsContact CG1-CB 3.49Å; V223-Y251 HydrophobicContact CG1-CD1 3.63Å; V223-Y251 HydrophobicContact CG1-CE1 4.49Å; V223-Y251 HydrophobicContact CG1-CG 3.64Å; V223-L253 HydrophobicContact CG2-CD2 4.2Å
224H84.8Confident78Confident87 Ų8787.7 Ų87.740%0.40347%0.474SS..EExtended strand (participates in β ladder)trans-79.3126.6171.4-171.6-87.1000109.8W252 V254H224-W252 HydrophobicContact CB-CB 4.02Å; H224-W252 VanDerWaalsContact CB-O 3.29Å; H224-W252 WeakPolarHBondContact CB-O 3.33Å; H224-W252 PolarHBondContact N-O 2.83Å; H224-V254 HydrophobicContact CB-CG2 3.94Å
225L84.2Confident79.3Confident125 Ų12588.6 Ų88.665%0.65447%0.474SS*.EExtended strand (participates in β ladder)trans-105.3149.6176.9-67166.3000109.6Y251L225-Y251 HydrophobicContact CD2-CD1 4.13Å; L225-Y251 HydrophobicContact CD2-CE1 3.84Å
226P87.9Confident80.4Confident107 Ų10785.2 Ų85.270%0.69545%0.449SS*.EExtended strand (participates in β ladder)cis-78.3176.4-1.134.1-36.5000113.2
227A88.4Confident81.2Confident34 Ų3485.2 Ų85.228%0.28144%0.444SS..EExtended strand (participates in β ladder)trans-59.4147.2168.200000110.8P249 T250 Y251A227-P249 HydrophobicContact CB-CB 4.41Å; A227-T250 CarbonylContact C-O 3.49Å; A227-T250 VanDerWaalsContact CA-O 3.3Å; A227-T250 WeakPolarHBondContact CA-O 3.27Å; A227-Y251 HydrophobicContact CB-CD1 3.98Å; A227-Y251 HydrophobicContact CB-CE1 3.56Å
228L87.4Confident81.8Confident17 Ų1782 Ų829%0.08943%0.425CS..EExtended strand (participates in β ladder)trans-63.1141.9173.8-74.8107.7000111L184 E232 I233 L236 T250 W252L184-L228 HydrophobicContact CD1-CD1 4.35Å; L228-E232 HydrophobicContact CB-CB 4.48Å; L228-E232 HydrophobicContact CD2-CB 3.82Å; L228-I233 HydrophobicContact CB-CG1 4.19Å; L228-L236 HydrophobicContact CD2-CD1 4.29Å; L228-T250 HydrophobicContact CD1-CG2 3.98Å; L228-T250 WeakPolarHBondContact CD1-O 3.44Å; L228-T250 PolarHBondContact N-O 2.65Å; L228-W252 VanDerWaalsContact CD1-CD1 3.48Å; L228-W252 HydrophobicContact CD1-CG 4.16Å; L228-W252 VanDerWaalsContact CD2-NE1 3.27Å
229K87Confident82.3Confident142 Ų14279.4 Ų79.462%0.61743%0.425SS*.PPolyproline II helixtrans-78.2154.8170.9-63.5172.8-174.2167.10110.1Q231 E232 I233K229-Q231 PolarHBondContact O-N 2.89Å; K229-Q231 VanDerWaalsContact O-N 3.12Å; K229-E232 HydrophobicContact CB-CG 4.43Å; K229-E232 WeakPolarHBondContact O-CB 3.46Å; K229-E232 PolarHBondContact O-N 3.47Å; K229-I233 PolarHBondContact O-N 3.47Å
230S83.2Confident82.6Confident90 Ų9077.2 Ų77.263%0.62942%0.415SS*.Hα-helixtrans-55.6-32.8178.6-50.50000113.6I233 V234S230-I233 PolarHBondContact O-N 3.49Å; S230-V234 WeakPolarHBondContact O-CG2 3.35Å; S230-V234 PolarHBondContact O-N 2.79Å; S230-V234 VanDerWaalsContact O-N 3.15Å
231Q81.9Confident82.8Confident151 Ų15173.1 Ų73.171%0.70639%0.393SS*.Hα-helixtrans-63.6-44.6175.2-72.1175.1-14.700111.8K229 I233 V234 D235K229-Q231 PolarHBondContact O-N 2.89Å; K229-Q231 VanDerWaalsContact O-N 3.12Å; Q231-I233 VanDerWaalsContact C-N 3.27Å; Q231-I233 PolarHBondContact O-N 3.08Å; Q231-V234 PolarHBondContact O-N 2.83Å; Q231-V234 VanDerWaalsContact O-N 3.12Å; Q231-D235 PolarHBondContact O-N 2.98Å
232E82.4Confident82.7Confident84 Ų8471.6 Ų71.639%0.39339%0.392SS..Hα-helixtrans-65-33179-60.7167.9-151.400111.6L228 K229 D235 L236L228-E232 HydrophobicContact CB-CB 4.48Å; L228-E232 HydrophobicContact CD2-CB 3.82Å; K229-E232 HydrophobicContact CB-CG 4.43Å; K229-E232 WeakPolarHBondContact O-CB 3.46Å; K229-E232 PolarHBondContact O-N 3.47Å; E232-D235 PolarHBondContact O-N 3.44Å; E232-L236 WeakPolarHBondContact O-CD1 3.42Å; E232-L236 PolarHBondContact O-N 2.94Å
233I82Confident82.8Confident13 Ų1373.7 Ų73.77%0.06740%0.402CS..Hα-helixtrans-65.1-41173.5-60.3173.5000111.3L228 K229 S230 Q231 L236 V241L228-I233 HydrophobicContact CB-CG1 4.19Å; K229-I233 PolarHBondContact O-N 3.47Å; S230-I233 PolarHBondContact O-N 3.49Å; Q231-I233 VanDerWaalsContact C-N 3.27Å; Q231-I233 PolarHBondContact O-N 3.08Å; I233-L236 WeakPolarHBondContact O-CB 3.39Å; I233-L236 PolarHBondContact O-N 2.9Å; I233-V241 HydrophobicContact CG2-CG1 4.22Å
234V80.2Confident82.8Confident103 Ų10371.9 Ų71.962%0.62439%0.389SS*.Hα-helixtrans-70.8-35.6176.51760000111S230 Q231 L236 K237S230-V234 WeakPolarHBondContact O-CG2 3.35Å; S230-V234 PolarHBondContact O-N 2.79Å; S230-V234 VanDerWaalsContact O-N 3.15Å; Q231-V234 PolarHBondContact O-N 2.83Å; Q231-V234 VanDerWaalsContact O-N 3.12Å; V234-L236 PolarHBondContact O-N 2.79Å; V234-K237 PolarHBondContact O-N 3.47Å
235D79.2Confident83Confident117 Ų11767.7 Ų67.763%0.62637%0.37SS*.Hα-helixtrans-66.6-22.5178.9-69.6-24.2000113.3Q231 E232 K237Q231-D235 PolarHBondContact O-N 2.98Å; E232-D235 PolarHBondContact O-N 3.44Å; D235-K237 PolarHBondContact O-N 2.97Å
236L76.3Confident83Confident12 Ų1265.6 Ų65.66%0.06336%0.362CS..THydrogen-bonded Turntrans-62.3-19171.4-82.3146.9000112.8V158 I171 L184 L228 E232 I233 V234 S238 W252V158-L236 VanDerWaalsContact CG1-O 3.25Å; V158-L236 WeakPolarHBondContact CG1-O 2.92Å; V158-L236 VanDerWaalsContact CG2-O 3.24Å; V158-L236 WeakPolarHBondContact CG2-O 3.27Å; I171-L236 HydrophobicContact CD1-CD2 3.27Å; L184-L236 HydrophobicContact CD1-CD1 3.96Å; L228-L236 HydrophobicContact CD2-CD1 4.29Å; E232-L236 WeakPolarHBondContact O-CD1 3.42Å; E232-L236 PolarHBondContact O-N 2.94Å; I233-L236 WeakPolarHBondContact O-CB 3.39Å; I233-L236 PolarHBondContact O-N 2.9Å; V234-L236 PolarHBondContact O-N 2.79Å; L236-S238 PolarHBondContact O-N 3.08Å; L236-W252 HydrophobicContact CD1-CZ2 4.18Å; L236-W252 HydrophobicContact CD2-CH2 4Å; L236-W252 HydrophobicContact CD2-CZ2 3.76Å
237K72.7Confident83Confident136 Ų13667.9 Ų67.959%0.59137%0.369SS*.  trans55.117.4177.8-67.1177.6-180174.50115.1V234 D235V234-K237 PolarHBondContact O-N 3.47Å; D235-K237 PolarHBondContact O-N 2.97Å
238S76.1Confident83.1Confident3 Ų367.1 Ų67.12%0.02136%0.36CS..  trans-91.2117.1172.441.40000109.5D154 L236 E240 V241 A242D154-S238 WeakPolarHBondContact OD2-CB 3.41Å; L236-S238 PolarHBondContact O-N 3.08Å; S238-E240 PolarHBondContact O-N 3.37Å; S238-V241 WeakPolarHBondContact OG-CB 3.4Å; S238-V241 WeakPolarHBondContact OG-CG2 3.47Å; S238-A242 PolarHBondContact O-N 2.54Å; S238-A242 VanDerWaalsContact O-N 3.13Å
239V80.9Confident83.3Confident92 Ų9268.9 Ų68.956%0.55837%0.373SS*.Hα-helixtrans-60.2-41.9179.1177.40000109.9A242 V243V239-A242 WeakPolarHBondContact O-CB 3.03Å; V239-A242 PolarHBondContact O-N 3.17Å; V239-V243 HydrophobicContact CG1-CG2 4.33Å; V239-V243 VanDerWaalsContact O-CG2 3.29Å; V239-V243 WeakPolarHBondContact O-CG2 2.98Å; V239-V243 PolarHBondContact O-N 3.36Å
240E82.7Confident83.5Confident40 Ų4062.1 Ų62.119%0.18734%0.344CS..Hα-helixtrans-70.8-40.7-174.7-166.262.1-161.200112.8V135 V152 S238 A242 V243 E244V135-E240 HydrophobicContact CG1-CB 4.33Å; V135-E240 HydrophobicContact CG1-CG 3.82Å; V135-E240 HydrophobicContact CG2-CB 4.35Å; V152-E240 HydrophobicContact CG1-CB 4.48Å; V152-E240 HydrophobicContact CG1-CG 3.35Å; S238-E240 PolarHBondContact O-N 3.37Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.34Å; E240-V243 PolarHBondContact O-N 2.9Å; E240-E244 WeakPolarHBondContact O-CB 3.46Å; E240-E244 PolarHBondContact O-N 3.26Å
241V83.3Confident83.9Confident2 Ų260.1 Ų60.11%0.01232%0.323CS..Hα-helixtrans-64.1-40.4174.2-178.90000110.4L184 I233 S238 C245L184-V241 HydrophobicContact CD1-CG1 4.45Å; L184-V241 HydrophobicContact CD2-CG1 4Å; L184-V241 HydrophobicContact CD2-CG2 4.35Å; I233-V241 HydrophobicContact CG2-CG1 4.22Å; S238-V241 WeakPolarHBondContact OG-CB 3.4Å; S238-V241 WeakPolarHBondContact OG-CG2 3.47Å; V241-C245 HydrophobicContact CG1-CB 4.35Å; V241-C245 WeakPolarHBondContact O-CA 3.5Å; V241-C245 WeakPolarHBondContact O-CB 3.38Å; V241-C245 PolarHBondContact O-N 2.67Å
242A84.7Confident84.3Confident29 Ų2954.3 Ų54.324%0.2429%0.294CS..Hα-helixtrans-61.6-45.8174.800000111S238 V239 E240 T246S238-A242 PolarHBondContact O-N 2.54Å; S238-A242 VanDerWaalsContact O-N 3.13Å; V239-A242 WeakPolarHBondContact O-CB 3.03Å; V239-A242 PolarHBondContact O-N 3.17Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.34Å; A242-T246 VanDerWaalsContact O-CB 3.26Å; A242-T246 WeakPolarHBondContact O-CB 3.29Å; A242-T246 PolarHBondContact O-N 3.06Å; A242-T246 PolarHBondContact O-OG1 3.41Å
243V87.1Confident84.6Confident96 Ų9651.3 Ų51.358%0.58228%0.281SS*.Hα-helixtrans-64.2-48.3-179.9170.70000111.7V239 E240V239-V243 HydrophobicContact CG1-CG2 4.33Å; V239-V243 VanDerWaalsContact O-CG2 3.29Å; V239-V243 WeakPolarHBondContact O-CG2 2.98Å; V239-V243 PolarHBondContact O-N 3.36Å; E240-V243 PolarHBondContact O-N 2.9Å
244E87.1Confident84.8Confident29 Ų2953 Ų5314%0.13629%0.291CS..Hα-helixtrans-81.8-27.7-171.7-74.1-67.3176.300113.9K137 L173 K175 E240K137-E244 IonicContact NZ-OE1 3.69Å; K137-E244 PolarHBondContact NZ-OE1 3.43Å; L173-E244 HydrophobicContact CD2-CB 3.66Å; L173-E244 HydrophobicContact CD2-CG 4.41Å; K175-E244 WeakPolarHBondContact CD-OE2 3.26Å; K175-E244 WeakPolarHBondContact CE-O 3.27Å; K175-E244 PolarHBondContact NZ-O 2.84Å; K175-E244 IonicContact NZ-OE2 2.65Å; K175-E244 PolarHBondContact NZ-OE2 2.86Å; E240-E244 WeakPolarHBondContact O-CB 3.46Å; E240-E244 PolarHBondContact O-N 3.26Å
245C88.3Confident85Confident0 Ų051.4 Ų51.40%028%0.283CS..Hα-helixtrans-112.39.2-174.2-57.30000114.9L173 C182 V241 N247 V248L173-C245 WeakPolarHBondContact CD1-SG 3.44Å; L173-C245 VanDerWaalsContact CD2-SG 3.52Å; C182-C245 HydrophobicContact CB-CB 3.76Å; C182-C245 WeakPolarHBondContact CB-SG 3.45Å; C182-C245 WeakPolarHBondContact SG-CA 3.29Å; C182-C245 WeakPolarHBondContact SG-CB 3.39Å; C182-C245 CovalentContact SG-SG 2.04Å; C182-C245 PolarHBondContact SG-SG 2.95Å; V241-C245 HydrophobicContact CG1-CB 4.35Å; V241-C245 WeakPolarHBondContact O-CA 3.5Å; V241-C245 WeakPolarHBondContact O-CB 3.38Å; V241-C245 PolarHBondContact O-N 2.67Å; C245-N247 PolarHBondContact O-N 2.9Å; C245-V248 VanDerWaalsContact CA-CG2 3.42Å; C245-V248 HydrophobicContact CB-CG2 3.95Å; C245-V248 VanDerWaalsContact O-CG2 3.28Å; C245-V248 WeakPolarHBondContact O-CG2 3.49Å; C245-V248 PolarHBondContact O-N 2.77Å
246T85.2Confident85Confident80 Ų8048.9 Ų48.949%0.49127%0.272SS..THydrogen-bonded Turntrans-61.6133.8169.8-75.70000110.1A242 V248A242-T246 VanDerWaalsContact O-CB 3.26Å; A242-T246 WeakPolarHBondContact O-CB 3.29Å; A242-T246 PolarHBondContact O-N 3.06Å; A242-T246 PolarHBondContact O-OG1 3.41Å; T246-V248 PolarHBondContact O-N 3.06Å
247N87Confident84.9Confident155 Ų15556.6 Ų56.683%0.82931%0.305SS*.THydrogen-bonded Turntrans64.513.9178.6-56.2-32.1000116.4C245C245-N247 PolarHBondContact O-N 2.9Å
248V90.4Very high84.4Confident18 Ų1859.1 Ų59.111%0.10932%0.319CS..SBendtrans-118.9144.7173.2-64.20000110.7N180 C182 C245 T246 T250N180-V248 VanDerWaalsContact OD1-CG1 3.28Å; N180-V248 WeakPolarHBondContact OD1-CG1 3.39Å; C182-V248 HydrophobicContact CB-CG2 4.31Å; C182-V248 VanDerWaalsContact SG-CG2 3.57Å; C245-V248 VanDerWaalsContact CA-CG2 3.42Å; C245-V248 HydrophobicContact CB-CG2 3.95Å; C245-V248 VanDerWaalsContact O-CG2 3.28Å; C245-V248 WeakPolarHBondContact O-CG2 3.49Å; C245-V248 PolarHBondContact O-N 2.77Å; T246-V248 PolarHBondContact O-N 3.06Å; V248-T250 PolarHBondContact O-N 2.87Å; V248-T250 PolarHBondContact O-OG1 3.31Å
249P91.5Very high83.3Confident55 Ų5567.4 Ų67.436%0.35736%0.358SS..  trans-66.5123.1177.830.3-35.2000108.8K181 C182 A227 Y251K181-P249 HydrophobicContact CD-CG 4.37Å; K181-P249 HydrophobicContact CG-CG 3.89Å; C182-P249 PolarHBondContact N-O 2.67Å; C182-P249 VanDerWaalsContact N-O 3.12Å; A227-P249 HydrophobicContact CB-CB 4.41Å; P249-Y251 HydrophobicContact CB-CE2 3.83Å; P249-Y251 HydrophobicContact CG-CE2 4.26Å
250T91Very high81.7Confident0 Ų071.4 Ų71.40%036%0.363CS..EExtended strand (participates in β ladder)trans-109.7136.5-176.6-560000109.1C182 L184 A227 L228 V248C182-T250 HydrophobicContact CB-CG2 3.8Å; C182-T250 CarbonylContact O-C 3.53Å; C182-T250 VanDerWaalsContact O-CA 3.31Å; C182-T250 WeakPolarHBondContact O-CA 3.17Å; L184-T250 HydrophobicContact CD1-CG2 3.63Å; L184-T250 HydrophobicContact CD2-CG2 4.35Å; L184-T250 HydrophobicContact CG-CG2 3.67Å; A227-T250 CarbonylContact C-O 3.49Å; A227-T250 VanDerWaalsContact CA-O 3.3Å; A227-T250 WeakPolarHBondContact CA-O 3.27Å; L228-T250 HydrophobicContact CD1-CG2 3.98Å; L228-T250 WeakPolarHBondContact CD1-O 3.44Å; L228-T250 PolarHBondContact N-O 2.65Å; V248-T250 PolarHBondContact O-N 2.87Å; V248-T250 PolarHBondContact O-OG1 3.31Å
251Y91.6Very high80Confident47 Ų4781.1 Ų81.118%0.18440%0.397CS..EExtended strand (participates in β ladder)trans-129.7147.4-178.2-55.8-92.8000111.3K181 C182 F183 L184 V223 L225 A227 P249K181-Y251 HydrophobicContact CD-CE2 3.95Å; C182-Y251 PolarHBondContact O-N 2.8Å; F183-Y251 CarbonylContact C-O 3.52Å; F183-Y251 WeakPolarHBondContact CA-O 3.18Å; F183-Y251 HydrophobicContact CD1-CD2 4.46Å; F183-Y251 HydrophobicContact CE1-CD2 4.16Å; L184-Y251 PolarHBondContact N-O 2.83Å; V223-Y251 VanDerWaalsContact CG1-CB 3.49Å; V223-Y251 HydrophobicContact CG1-CD1 3.63Å; V223-Y251 HydrophobicContact CG1-CE1 4.49Å; V223-Y251 HydrophobicContact CG1-CG 3.64Å; L225-Y251 HydrophobicContact CD2-CD1 4.13Å; L225-Y251 HydrophobicContact CD2-CE1 3.84Å; A227-Y251 HydrophobicContact CB-CD1 3.98Å; A227-Y251 HydrophobicContact CB-CE1 3.56Å; P249-Y251 HydrophobicContact CB-CE2 3.83Å; P249-Y251 HydrophobicContact CG-CE2 4.26Å
252W89.7Confident78.5Confident29 Ų2986.6 Ų86.611%0.1142%0.422CS..EExtended strand (participates in β ladder)trans-82.7140.1168.5-78.6110.1000110.9F167 I171 L184 H224 L228 L236F167-W252 AromaticContact CD1-CH2 3.93Å; F167-W252 HydrophobicContact CD1-CH2 3.93Å; F167-W252 AromaticContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CD1-CZ2 3.68Å; F167-W252 HydrophobicContact CE1-CD2 4.18Å; F167-W252 AromaticContact CE1-CE2 3.4Å; F167-W252 AromaticContact CE1-CH2 3.95Å; F167-W252 HydrophobicContact CE1-CH2 3.95Å; F167-W252 AromaticContact CE1-CZ2 3.29Å; F167-W252 HydrophobicContact CE1-CZ2 3.29Å; F167-W252 AromaticContact CE1-NE1 3.57Å; F167-W252 HydrophobicContact CZ-CZ2 4.17Å; F167-W252 AromaticContact CZ-NE1 3.84Å; I171-W252 HydrophobicContact CD1-CH2 4.13Å; I171-W252 HydrophobicContact CG2-CH2 4.49Å; L184-W252 HydrophobicContact CB-CD2 3.93Å; L184-W252 HydrophobicContact CB-CE3 3.47Å; L184-W252 VanDerWaalsContact CB-CE3 3.47Å; L184-W252 HydrophobicContact CB-CH2 3.84Å; L184-W252 HydrophobicContact CB-CZ2 4.25Å; L184-W252 HydrophobicContact CB-CZ3 3.44Å; L184-W252 VanDerWaalsContact CB-CZ3 3.44Å; L184-W252 HydrophobicContact CD1-CD2 4.47Å; L184-W252 HydrophobicContact CD1-CH2 4Å; L184-W252 HydrophobicContact CD1-CZ2 3.78Å; L184-W252 HydrophobicContact CD1-CZ3 4.44Å; H224-W252 HydrophobicContact CB-CB 4.02Å; H224-W252 VanDerWaalsContact CB-O 3.29Å; H224-W252 WeakPolarHBondContact CB-O 3.33Å; H224-W252 PolarHBondContact N-O 2.83Å; L228-W252 VanDerWaalsContact CD1-CD1 3.48Å; L228-W252 HydrophobicContact CD1-CG 4.16Å; L228-W252 VanDerWaalsContact CD2-NE1 3.27Å; L236-W252 HydrophobicContact CD1-CZ2 4.18Å; L236-W252 HydrophobicContact CD2-CH2 4Å; L236-W252 HydrophobicContact CD2-CZ2 3.76Å
253L89.9Confident76.5Confident21 Ų2196.1 Ų96.111%0.1145%0.451CS..EExtended strand (participates in β ladder)trans-95134170.7-65.9-179.1000109.9I174 F183 L184 K185 F221 S222 V223I174-L253 HydrophobicContact CD1-CD1 4.15Å; F183-L253 HydrophobicContact CB-CD1 3.83Å; F183-L253 HydrophobicContact CB-CD2 4.16Å; F183-L253 HydrophobicContact CB-CG 3.91Å; F183-L253 HydrophobicContact CD1-CD2 3.91Å; F183-L253 HydrophobicContact CG-CD2 4.36Å; L184-L253 WeakPolarHBondContact O-CB 3.28Å; L184-L253 PolarHBondContact O-N 3.35Å; K185-L253 HydrophobicContact CB-CB 4.13Å; K185-L253 HydrophobicContact CB-CD1 4.39Å; F221-L253 HydrophobicContact CB-CB 3.93Å; F221-L253 HydrophobicContact CB-CD1 4.29Å; F221-L253 HydrophobicContact CB-CD2 4.13Å; F221-L253 HydrophobicContact CB-CG 4.34Å; F221-L253 HydrophobicContact CD1-CB 3.81Å; F221-L253 HydrophobicContact CG-CB 4Å; F221-L253 HydrophobicContact CG-CD1 4.35Å; S222-L253 WeakPolarHBondContact O-CA 3.37Å; V223-L253 HydrophobicContact CG2-CD2 4.2Å
254V86.1Confident74.5Confident48 Ų48103.7 Ų103.729%0.29147%0.469SS..EExtended strand (participates in β ladder)trans-117.3129.2177.6178.60000108.6F221 S222 H224 V256F221-V254 CarbonylContact C-O 3.58Å; F221-V254 WeakPolarHBondContact CA-O 2.89Å; S222-V254 PolarHBondContact N-O 3.4Å; S222-V254 PolarHBondContact O-N 2.93Å; S222-V254 PolarHBondContact OG-O 2.82Å; H224-V254 HydrophobicContact CB-CG2 3.94Å; V254-V256 PolarHBondContact O-N 3.39Å
255P84.2Confident72.4Confident70 Ų70105.2 Ų105.246%0.45549%0.487SS..EExtended strand (participates in β ladder)trans-63.9132-179.625.7-34000110.5F221 K257F221-P255 HydrophobicContact CD1-CB 4.27Å; F221-P255 HydrophobicContact CE1-CB 3.98Å; P255-K257 PolarHBondContact O-N 2.88Å
256V80.4Confident70.5Confident65 Ų65112 Ų11239%0.39453%0.528SS..  trans-80.3102.4174.6-176.90000107.7N220 V254 E258N220-V256 HydrophobicContact CB-CB 4.16Å; N220-V256 HydrophobicContact CB-CG2 4.4Å; N220-V256 PolarHBondContact O-N 2.88Å; V254-V256 PolarHBondContact O-N 3.39Å; V256-E258 PolarHBondContact O-N 3.06Å
257K73.5Confident68.9Low173 Ų173112.9 Ų112.975%0.75254%0.543SS*.  trans-65130.8168.4-63.5-178.2179.4-177.30108.5P255 E259P255-K257 PolarHBondContact O-N 2.88Å; K257-E259 PolarHBondContact O-N 3.42Å
258E61Low67.2Low189 Ų189108.8 Ų108.888%0.88352%0.524SS*.THydrogen-bonded Turntrans-61.86.4-174.5-68-169.5156.500115.6V256 R260V256-E258 PolarHBondContact O-N 3.06Å; E258-R260 VanDerWaalsContact C-N 3.34Å; E258-R260 PolarHBondContact O-N 3Å
259E52.9Low65.7Low178 Ų178114 Ų11483%0.83256%0.561SS**THydrogen-bonded Turntrans-86.89.5-178.6-79.8-175.2159.900115.5K257 R261K257-E259 PolarHBondContact O-N 3.42Å; E259-R261 PolarHBondContact O-N 2.77Å
260R48.8Very low64.5Low176 Ų176114 Ų11466%0.66457%0.572SS**  trans-77.373.6163-62.3-147-167.4178.78.7109.3E258 F262E258-R260 VanDerWaalsContact C-N 3.34Å; E258-R260 PolarHBondContact O-N 3Å; R260-F262 HydrophobicContact CB-CD2 4.07Å; R260-F262 HydrophobicContact CB-CE2 3.86Å; R260-F262 WeakPolarHBondContact O-CD2 3.38Å; R260-F262 PolarHBondContact O-N 3.48Å
261R46.8Very low63.3Low243 Ų243116.1 Ų116.192%0.91759%0.586SS**  trans-57.884.9156-78-171.4-174.6-173.23.1107.4E259 R263E259-R261 PolarHBondContact O-N 2.77Å; R261-R263 PolarHBondContact O-N 3.37Å; R261-R263 VanDerWaalsContact O-N 3.12Å
262F50.7Low62.5Low118 Ų118116.6 Ų116.652%0.51860%0.596SS.*  trans-60.6117.3158.7-77-86.9000105.6R260 R264R260-F262 HydrophobicContact CB-CD2 4.07Å; R260-F262 HydrophobicContact CB-CE2 3.86Å; R260-F262 WeakPolarHBondContact O-CD2 3.38Å; R260-F262 PolarHBondContact O-N 3.48Å; F262-R264 PolarHBondContact O-N 2.84Å; F262-R264 VanDerWaalsContact O-N 3.17Å
263R43.7Very low61.8Low228 Ų228122.9 Ų122.986%0.8662%0.624SS**  trans-46.8129.3161.2-101.3-179.1172.7175.8-1.8105.4R261 A265R261-R263 PolarHBondContact O-N 3.37Å; R261-R263 VanDerWaalsContact O-N 3.12Å; R263-A265 PolarHBondContact O-N 2.85Å
264R43.6Very low61.2Low256 Ų256126 Ų12697%0.96664%0.638SS**  trans-62.271.7165.7-82.2-177.1-87.4176.8-7108.2F262F262-R264 PolarHBondContact O-N 2.84Å; F262-R264 VanDerWaalsContact O-N 3.17Å
265A44.4Very low60.6Low60 Ų60130.6 Ų130.650%0.49665%0.654SS.*  trans-88.1108.8161.900000104.7R263 A267R263-A265 PolarHBondContact O-N 2.85Å; A265-A267 PolarHBondContact O-N 3.25Å
266V49Very low60.2Low143 Ų143130.4 Ų130.487%0.86765%0.646SS**SBendtrans7.2107.5155.3-177.30000113.4T268V266-T268 PolarHBondContact O-N 2.81Å
267A51.5Low60Low99 Ų99127.5 Ų127.582%0.81863%0.629SS**SBendtrans35.267.9169.600000113.4A265 S269A265-A267 PolarHBondContact O-N 3.25Å; A267-S269 PolarHBondContact O-N 2.87Å
268T51.1Low60.2Low69 Ų69122.9 Ų122.942%0.42361%0.609SS.*  trans-49.7105.4173.526.80000109.3V266 G270 C271V266-T268 PolarHBondContact O-N 2.81Å; T268-G270 VanDerWaalsContact C-N 3.34Å; T268-G270 PolarHBondContact O-N 2.94Å; T268-C271 PolarHBondContact O-N 2.98Å
269S58.8Low60.7Low126 Ų126117.4 Ų117.488%0.88158%0.582SS**THydrogen-bonded Turntrans-60.894.2176.151.40000108.1A267A267-S269 PolarHBondContact O-N 2.87Å
270G65.4Low61.7Low57 Ų57112.5 Ų112.559%0.58856%0.562SS**THydrogen-bonded Turntrans149.6-10.7-17700000115T268T268-G270 VanDerWaalsContact C-N 3.34Å; T268-G270 PolarHBondContact O-N 2.94Å
271C67Low62.6Low44 Ų44106.1 Ų106.130%0.29755%0.551SS.*EExtended strand (participates in β ladder)trans-95.8124.5172.1-59.80000111.2T268 T291 M292 C293T268-C271 PolarHBondContact O-N 2.98Å; C271-T291 HydrophobicContact CB-CG2 3.9Å; C271-M292 CarbonylContact C-O 3.57Å; C271-M292 WeakPolarHBondContact CA-O 3.07Å; C271-C293 HydrophobicContact CB-CB 4.14Å; C271-C293 WeakPolarHBondContact CB-SG 3.47Å; C271-C293 WeakPolarHBondContact SG-CB 3.2Å; C271-C293 CovalentContact SG-SG 2.04Å; C271-C293 PolarHBondContact SG-SG 3.36Å
272S73.8Confident63.7Low57 Ų57100.6 Ų100.640%0.39954%0.54SS..EExtended strand (participates in β ladder)trans-98.4142.7172.9-175.50000110.2T291 M292S272-T291 CarbonylContact O-C 3.58Å; S272-T291 WeakPolarHBondContact O-CA 3.39Å; S272-M292 PolarHBondContact N-O 3.17Å; S272-M292 PolarHBondContact O-N 3.12Å
273K75.8Confident64.5Low160 Ų16099.5 Ų99.570%0.69654%0.539SS*.EExtended strand (participates in β ladder)trans-99.1111.1170.1-73.8-176.3-179.8-1800108T289K273-T289 HydrophobicContact CB-CG2 3.86Å; K273-T289 HydrophobicContact CD-CG2 4.49Å; K273-T289 HydrophobicContact CG-CG2 4.42Å
274E75.8Confident65.8Low87 Ų8790.7 Ų90.741%0.40751%0.512SS..EExtended strand (participates in β ladder)trans-112.9147178.7-68-174-164.500109.7F276 T289 V290 M292E274-F276 HydrophobicContact CB-CD2 4.35Å; E274-F276 HydrophobicContact CB-CE2 3.69Å; E274-F276 HydrophobicContact CB-CZ 4.29Å; E274-T289 CarbonylContact O-C 3.57Å; E274-T289 WeakPolarHBondContact O-CA 3.28Å; E274-V290 PolarHBondContact N-O 2.66Å; E274-V290 PolarHBondContact O-N 2.83Å; E274-M292 HydrophobicContact CB-SD 4.42Å; E274-M292 HydrophobicContact CG-SD 4.46Å
275K75.3Confident67.2Low144 Ų14478.5 Ų78.563%0.62647%0.467SS*.EExtended strand (participates in β ladder)trans-91.6127.5176.1-64.7-176179.6-179.40108.5M287 E288K275-M287 HydrophobicContact CB-CE 3.64Å; K275-M287 HydrophobicContact CD-CE 4.35Å; K275-E288 WeakPolarHBondContact CA-O 3.47Å
276F75.5Confident68.7Low66 Ų6678.1 Ų78.129%0.28946%0.458SS..EExtended strand (participates in β ladder)trans-117.7139.3175.2-71.7-88.7000109.5E274 M287 E288 V290 M292E274-F276 HydrophobicContact CB-CD2 4.35Å; E274-F276 HydrophobicContact CB-CE2 3.69Å; E274-F276 HydrophobicContact CB-CZ 4.29Å; F276-M287 CarbonylContact O-C 3.55Å; F276-M287 WeakPolarHBondContact O-CA 3.29Å; F276-E288 PolarHBondContact N-O 2.94Å; F276-E288 PolarHBondContact O-N 2.94Å; F276-V290 HydrophobicContact CB-CG2 4.29Å; F276-V290 HydrophobicContact CD2-CB 3.63Å; F276-V290 HydrophobicContact CD2-CG2 3.61Å; F276-V290 HydrophobicContact CE2-CB 3.93Å; F276-V290 HydrophobicContact CE2-CG2 4.35Å; F276-V290 HydrophobicContact CG-CG2 4.25Å; F276-M292 HydrophobicContact CE2-CG 4.23Å; F276-M292 HydrophobicContact CE2-SD 3.78Å; F276-M292 HydrophobicContact CZ-CE 4.12Å; F276-M292 HydrophobicContact CZ-SD 3.56Å; F276-M292 VanDerWaalsContact CZ-SD 3.56Å
277S76.1Confident70Confident5 Ų574.6 Ų74.64%0.03543%0.433CS..EExtended strand (participates in β ladder)trans-93.9147.9172.213.10000109.9F143 P145 N146 V285 V286 M287F143-S277 VanDerWaalsContact C-OG 3.3Å; F143-S277 WeakPolarHBondContact O-CB 3.38Å; F143-S277 PolarHBondContact O-OG 3.44Å; P145-S277 WeakPolarHBondContact CD-OG 3.33Å; N146-S277 PolarHBondContact ND2-O 2.9Å; N146-S277 PolarHBondContact ND2-OG 3.23Å; N146-S277 PolarHBondContact OD1-N 3.43Å; N146-S277 VanDerWaalsContact OD1-N 3.08Å; N146-S277 PolarHBondContact OD1-OG 3.41Å; S277-V285 VanDerWaalsContact CB-CG1 3.49Å; S277-V286 CarbonylContact C-O 3.55Å; S277-V286 VanDerWaalsContact CA-O 3.28Å; S277-V286 WeakPolarHBondContact CA-O 3.39Å; S277-M287 VanDerWaalsContact CA-SD 3.52Å; S277-M287 WeakPolarHBondContact CB-SD 3.07Å
278F76.5Confident71.2Confident75 Ų7573.6 Ų73.633%0.32941%0.411SS..EExtended strand (participates in β ladder)trans-146.3153.7165.966.2-86.6000110.7N280 V285 V286 E288F278-N280 HydrophobicContact CE2-CB 4.16Å; F278-V285 WeakPolarHBondContact O-CA 3.47Å; F278-V286 HydrophobicContact CE1-CB 4.02Å; F278-V286 HydrophobicContact CE1-CG1 4.08Å; F278-V286 HydrophobicContact CE2-CB 4.25Å; F278-V286 HydrophobicContact CZ-CB 3.85Å; F278-V286 HydrophobicContact CZ-CG1 4Å; F278-V286 PolarHBondContact N-O 2.83Å; F278-V286 PolarHBondContact O-N 2.74Å; F278-E288 HydrophobicContact CE1-CB 4.05Å
279F73.2Confident72.4Confident74 Ų7474 Ų7433%0.32541%0.414SS..EExtended strand (participates in β ladder)trans-86.9122.6174.4-179.3-115.7000109.5V112 L123 G281V112-F279 HydrophobicContact CG1-CD2 4.44Å; V112-F279 HydrophobicContact CG1-CE2 4.41Å; V112-F279 HydrophobicContact CG2-CD2 3.98Å; V112-F279 HydrophobicContact CG2-CE2 3.45Å; V112-F279 VanDerWaalsContact CG2-CE2 3.45Å; V112-F279 HydrophobicContact CG2-CZ 4.29Å; L123-F279 HydrophobicContact CD1-CD2 4.5Å; F279-G281 VanDerWaalsContact CE1-CA 3.47Å
280N72.4Confident73Confident75 Ų7570 Ų7040%0.40138%0.384SS..  trans-89-2.3-176.4-168.642.3000113.8F278 D282 S284 V286F278-N280 HydrophobicContact CE2-CB 4.16Å; N280-D282 VanDerWaalsContact C-N 3.28Å; N280-D282 PolarHBondContact O-N 2.87Å; N280-S284 PolarHBondContact N-O 2.83Å; N280-V286 HydrophobicContact CB-CG2 4.26Å
281G68.9Low73.3Confident42 Ų4271.1 Ų71.143%0.43338%0.379SS..SBendtrans89.8-24-176.100000114.6F279 D283F279-G281 VanDerWaalsContact CE1-CA 3.47Å; G281-D283 PolarHBondContact O-N 2.81Å
282D69.1Low73.2Confident128 Ų12873.3 Ų73.368%0.68439%0.387SS*.SBendtrans-95.251.8177.5-65.6-32000111.8N280 S284N280-D282 VanDerWaalsContact C-N 3.28Å; N280-D282 PolarHBondContact O-N 2.87Å; D282-S284 PolarHBondContact O-N 2.04Å; D282-S284 PolarHBondContact O-OG 3.28Å
283D66.7Low72.4Confident95 Ų9573.5 Ų73.551%0.50839%0.387SS..SBendtrans49.130.5173.4-59.1-27.8000115.9V112 V113 G281V112-D283 WeakPolarHBondContact CG1-O 3.42Å; V113-D283 PolarHBondContact N-O 2.91Å; G281-D283 PolarHBondContact O-N 2.81Å
284S71Confident71.5Confident42 Ų4273 Ų7329%0.29441%0.412SS..BIsolated β-bridgetrans-139.2138.2-179.349.10000111.7N280 D282N280-S284 PolarHBondContact N-O 2.83Å; D282-S284 PolarHBondContact O-N 2.04Å; D282-S284 PolarHBondContact O-OG 3.28Å
285V73.9Confident71.3Confident1 Ų172.3 Ų72.31%0.00641%0.413CS..EExtended strand (participates in β ladder)trans-90.8116.7168.9-179.20000108.4V112 N115 L123 F143 S277 F278V112-V285 HydrophobicContact CG1-CB 4.47Å; V112-V285 HydrophobicContact CG1-CG2 3.59Å; N115-V285 PolarHBondContact ND2-O 3.39Å; N115-V285 PolarHBondContact OD1-O 2.85Å; N115-V285 VanDerWaalsContact OD1-O 3.06Å; L123-V285 HydrophobicContact CD1-CG2 4.39Å; F143-V285 HydrophobicContact CB-CG1 3.97Å; F143-V285 HydrophobicContact CB-CG2 4.3Å; F143-V285 HydrophobicContact CD1-CG2 4.41Å; S277-V285 VanDerWaalsContact CB-CG1 3.49Å; F278-V285 WeakPolarHBondContact O-CA 3.47Å
286V75.1Confident71Confident52 Ų5268.5 Ų68.532%0.31540%0.401SS..EExtended strand (participates in β ladder)trans-96.8144.5176.9-177.20000109.8S277 F278 N280S277-V286 CarbonylContact C-O 3.55Å; S277-V286 VanDerWaalsContact CA-O 3.28Å; S277-V286 WeakPolarHBondContact CA-O 3.39Å; F278-V286 HydrophobicContact CE1-CB 4.02Å; F278-V286 HydrophobicContact CE1-CG1 4.08Å; F278-V286 HydrophobicContact CE2-CB 4.25Å; F278-V286 HydrophobicContact CZ-CB 3.85Å; F278-V286 HydrophobicContact CZ-CG1 4Å; F278-V286 PolarHBondContact N-O 2.83Å; F278-V286 PolarHBondContact O-N 2.74Å; N280-V286 HydrophobicContact CB-CG2 4.26Å
287M76.2Confident70.8Confident68 Ų6868.6 Ų68.634%0.33541%0.408SS..EExtended strand (participates in β ladder)trans-106.7124.2175.9-68.7-70.8-73.600110.6N115 P145 K275 F276 S277N115-M287 VanDerWaalsContact ND2-CG 3.29Å; N115-M287 WeakPolarHBondContact ND2-CG 3.5Å; P145-M287 HydrophobicContact CG-CE 3.31Å; P145-M287 HydrophobicContact CG-SD 4.17Å; K275-M287 HydrophobicContact CB-CE 3.64Å; K275-M287 HydrophobicContact CD-CE 4.35Å; F276-M287 CarbonylContact O-C 3.55Å; F276-M287 WeakPolarHBondContact O-CA 3.29Å; S277-M287 VanDerWaalsContact CA-SD 3.52Å; S277-M287 WeakPolarHBondContact CB-SD 3.07Å
288E77.8Confident70.5Confident78 Ų7872.4 Ų72.436%0.36443%0.43SS..EExtended strand (participates in β ladder)trans-117.2143.2174-168.9179.8175.100109.7R218 K275 F276 F278R218-E288 VanDerWaalsContact NH1-CD 3.28Å; R218-E288 IonicContact NH1-OE1 3.11Å; R218-E288 PolarHBondContact NH1-OE1 3.29Å; R218-E288 IonicContact NH1-OE2 2.94Å; R218-E288 PolarHBondContact NH1-OE2 3.2Å; K275-E288 WeakPolarHBondContact CA-O 3.47Å; F276-E288 PolarHBondContact N-O 2.94Å; F276-E288 PolarHBondContact O-N 2.94Å; F278-E288 HydrophobicContact CE1-CB 4.05Å
289T76.1Confident70.1Confident77 Ų7772.2 Ų72.247%0.47244%0.436SS..EExtended strand (participates in β ladder)trans-93111.8173.8-52.80000108.8K273 E274K273-T289 HydrophobicContact CB-CG2 3.86Å; K273-T289 HydrophobicContact CD-CG2 4.49Å; K273-T289 HydrophobicContact CG-CG2 4.42Å; E274-T289 CarbonylContact O-C 3.57Å; E274-T289 WeakPolarHBondContact O-CA 3.28Å
290V71.8Confident69.9Low44 Ų4472.1 Ų72.127%0.26744%0.443SS..EExtended strand (participates in β ladder)trans-98135.6178.5-1730000108.7E274 F276E274-V290 PolarHBondContact N-O 2.66Å; E274-V290 PolarHBondContact O-N 2.83Å; F276-V290 HydrophobicContact CB-CG2 4.29Å; F276-V290 HydrophobicContact CD2-CB 3.63Å; F276-V290 HydrophobicContact CD2-CG2 3.61Å; F276-V290 HydrophobicContact CE2-CB 3.93Å; F276-V290 HydrophobicContact CE2-CG2 4.35Å; F276-V290 HydrophobicContact CG-CG2 4.25Å
291T70.4Confident69.7Low79 Ų7971.9 Ų71.949%0.48545%0.446SS..EExtended strand (participates in β ladder)trans-91110.9173.9-55.10000108.4C271 S272C271-T291 HydrophobicContact CB-CG2 3.9Å; S272-T291 CarbonylContact O-C 3.58Å; S272-T291 WeakPolarHBondContact O-CA 3.39Å
292M64.7Low69.8Low91 Ų9174.2 Ų74.245%0.44845%0.447SS..EExtended strand (participates in β ladder)trans-95.9124.1176.7-56-173.387.100108.9C271 S272 E274 F276C271-M292 CarbonylContact C-O 3.57Å; C271-M292 WeakPolarHBondContact CA-O 3.07Å; S272-M292 PolarHBondContact N-O 3.17Å; S272-M292 PolarHBondContact O-N 3.12Å; E274-M292 HydrophobicContact CB-SD 4.42Å; E274-M292 HydrophobicContact CG-SD 4.46Å; F276-M292 HydrophobicContact CE2-CG 4.23Å; F276-M292 HydrophobicContact CE2-SD 3.78Å; F276-M292 HydrophobicContact CZ-CE 4.12Å; F276-M292 HydrophobicContact CZ-SD 3.56Å; F276-M292 VanDerWaalsContact CZ-SD 3.56Å
293C58Low69.8Low61 Ų6169.7 Ų69.741%0.41243%0.427SS..EExtended strand (participates in β ladder)trans-118.7129.4176.9-610000108.9C271C271-C293 HydrophobicContact CB-CB 4.14Å; C271-C293 WeakPolarHBondContact CB-SG 3.47Å; C271-C293 WeakPolarHBondContact SG-CB 3.2Å; C271-C293 CovalentContact SG-SG 2.04Å; C271-C293 PolarHBondContact SG-SG 3.36Å
294A56.2Low70.1Confident148 Ų14867.4 Ų67.4100%1.22342%0.42SS*.  trans-75.10173.200000112

Retrieved 294 of 294 residues in 479 ms (Link to these results)